#DEFINITION	Reference Metabolome for Pithecellobium dulce
#IDENTTFIER	RefMeta-Pithecellobium dulce.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Pithecellobium dulce
#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 Pithecellobium dulce was generated from multi-tissue LC-MS/MS data with redundance removed
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	998.5722
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02572	100.0
98.20591	19.8
179.57251	20.2
817.07635	19.6
859.00507	21.3
898.61560	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	998.5725
Annotation	Unknow
Peak:m/z	Relative Intensity
70.24266	100.0
131.49948	21.5
140.80464	20.3
153.18617	18.9
325.77216	24.0
356.73209	21.4
384.64835	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	999.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01369	1.5
73.02955	1.0
79.95742	4.2
80.33154	0.2
80.96513	1.9
83.01379	0.4
85.02953	1.0
87.00870	0.3
89.02455	0.3
95.95245	0.6
96.96021	67.9
97.95948	0.4
98.20818	0.2
101.02430	1.3
103.00387	4.1
113.02457	0.6
114.37715	0.2
120.96131	0.3
122.03694	0.3
122.97607	0.4
125.02506	0.3
126.35479	0.3
134.97675	0.3
138.97102	0.6
143.03491	0.2
146.09607	0.2
149.02469	0.7
150.03271	1.1
150.97092	0.6
151.00439	0.3
152.98715	1.1
156.62914	0.2
159.82224	0.2
163.11296	0.5
164.98640	3.1
165.05580	1.1
180.98155	1.4
195.06656	0.8
205.12250	0.4
208.03708	0.7
223.06146	2.1
228.44382	0.3
229.90678	0.4
229.92680	0.3
232.80281	0.2
241.00218	3.1
255.02966	0.3
256.99677	0.4
271.02350	0.7
300.02756	2.3
301.03506	1.5
313.06122	0.4
319.18320	0.2
407.10217	0.4
419.13525	1.3
447.08328	2.1
447.13968	1.0
465.14331	61.3
466.14728	5.9
507.15393	25.1
508.15738	2.3
533.13483	0.8
551.14307	100.0
552.14655	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	990.5956
Annotation	Unknow
Peak:m/z	Relative Intensity
70.26122	1.6
78.95909	100.0
96.96977	7.8
108.16286	0.4
150.97998	0.4
152.99609	22.2
153.99983	0.4
162.37756	0.4
171.00655	23.7
172.01027	0.4
193.78148	0.5
196.03790	0.4
201.89708	0.4
202.52762	0.3
214.04897	0.8
253.84288	0.4
277.21606	0.5
277.67291	0.3
279.23410	3.2
280.23657	0.5
402.24173	3.6
439.87589	0.4
476.27823	97.0
477.28094	11.8
530.81018	0.4
760.62384	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	988.5671
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99830	0.7
69.00163	0.3
69.03459	4.9
69.63645	0.7
69.64052	2.6
70.02972	0.4
71.01384	14.3
71.05007	0.9
72.00906	0.6
72.01697	0.3
72.99316	1.5
73.02955	3.2
75.00877	0.3
78.95867	0.4
80.10365	0.3
81.03465	0.3
82.02996	2.2
83.01400	3.3
84.04579	0.8
85.02966	4.5
86.02500	0.4
87.00906	1.7
89.02451	9.9
91.98650	0.3
94.02992	0.5
95.05025	1.4
96.04574	0.4
96.96045	0.9
97.02952	1.0
98.02495	0.7
98.19872	0.6
99.00892	1.9
100.04057	22.3
101.02451	7.4
110.02484	1.6
111.00906	2.6
111.04534	0.3
111.08152	1.2
112.04073	5.0
113.02467	2.3
113.06116	0.9
115.00355	0.3
115.04020	0.7
123.08178	0.9
124.04027	2.0
125.02479	0.9
126.05627	0.5
128.03560	0.6
130.39967	0.3
131.03519	5.4
135.15044	0.4
139.11305	4.8
140.03584	2.6
142.05101	1.3
143.03535	0.9
147.04518	3.5
149.04547	0.7
154.05112	0.8
158.31120	0.3
163.74190	0.3
165.09248	0.4
166.05043	0.8
181.08678	1.1
183.10281	8.7
184.06091	0.4
184.91035	0.3
191.05605	0.7
194.46198	0.3
202.07242	4.3
233.06622	0.5
264.90982	0.3
334.11435	0.6
541.26447	0.4
742.45636	1.1
794.52673	0.5
804.45276	0.5
822.47150	2.9
823.46979	0.7
843.82678	0.4
864.16028	0.5
926.56293	3.3
927.55847	0.4
953.83551	0.4
988.56757	100.0
989.57111	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
69.70291	0.7
69.70718	0.8
71.01393	1.6
72.99317	0.3
73.02956	1.1
79.95746	4.6
80.96529	2.1
81.21276	0.3
82.96680	0.2
83.01402	0.3
85.02973	1.2
87.00901	0.3
89.02504	0.3
95.95257	0.8
96.96024	67.9
97.95947	0.3
99.00913	0.4
99.92632	0.4
101.02455	1.2
103.00391	4.5
109.02938	0.4
113.02468	0.5
116.92883	5.8
117.92899	0.3
121.02933	0.2
122.97581	0.2
125.02482	0.2
133.00714	0.2
138.97086	0.7
149.02448	0.4
150.03246	0.4
150.97118	0.5
151.00383	0.4
152.98636	1.2
163.11368	0.2
164.04840	0.2
164.98650	3.5
165.05580	0.5
180.98154	1.8
195.06677	0.5
205.12396	0.5
208.03813	0.4
223.06244	1.0
238.84348	0.2
241.00253	3.5
255.02997	0.8
271.02405	1.4
285.02969	0.2
300.02753	2.4
301.03445	2.4
302.03979	0.2
337.75262	0.2
351.23080	0.2
356.49789	0.2
407.10181	0.2
419.13519	0.7
433.07797	3.2
434.08191	0.4
447.13226	1.8
447.26071	0.3
448.13855	0.3
451.16452	0.9
452.16553	0.2
465.14359	64.5
466.14697	6.6
507.15399	25.1
508.15796	2.8
533.13202	0.6
534.14111	0.3
551.14331	100.0
552.14642	12.6
639.25940	0.2
783.03473	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	1.8
71.72913	0.3
72.99295	0.4
73.02956	1.3
79.95744	4.9
80.96528	2.4
83.01401	0.4
85.02950	1.5
87.00879	0.3
89.02479	0.4
94.98105	0.2
95.95235	0.8
96.96021	68.7
97.95947	0.3
98.95536	0.2
99.00909	0.2
99.06316	0.2
99.92590	0.5
101.02455	1.6
103.00383	4.7
113.02467	0.7
116.92871	5.7
117.92888	0.3
120.96037	0.2
122.97575	0.3
123.08218	0.2
138.97069	0.5
141.06071	0.2
149.02480	0.3
150.03229	0.2
150.97115	0.5
151.00398	0.6
151.04002	0.2
152.98660	0.9
164.04732	0.2
164.98640	3.6
165.05562	0.4
169.18002	0.2
178.99919	0.2
180.98143	2.0
191.02002	0.3
205.12337	0.5
222.99197	0.4
223.06102	0.6
225.00734	0.2
241.00220	3.3
243.02943	0.2
255.02870	1.0
256.99759	0.3
271.02441	1.7
272.02817	0.3
283.01224	0.2
300.02762	3.4
301.03497	3.2
302.03848	0.4
407.10458	0.2
419.13452	0.5
429.12811	0.2
433.07736	4.0
434.08252	0.7
447.13199	1.8
448.13171	0.2
451.16428	3.9
452.16946	1.1
453.16608	0.5
465.14343	63.5
466.14651	7.8
466.21301	0.4
467.16339	0.2
507.15405	26.2
508.15671	3.3
533.13477	0.5
549.22815	0.3
550.22296	0.3
551.14325	100.0
552.14655	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	971.5255
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03462	0.9
70.47017	0.9
70.47402	0.9
71.01386	17.5
72.99299	1.6
73.02942	3.3
73.59982	0.6
83.01386	2.0
85.02963	6.4
87.00873	2.3
89.02451	9.5
91.99875	0.5
95.01463	1.1
96.96030	1.0
97.02969	2.6
99.00865	1.6
101.02451	10.6
111.00914	1.3
113.02477	4.7
114.48489	0.5
116.92860	0.7
119.03517	1.0
125.02460	5.6
131.03526	3.8
143.03519	1.1
149.04628	0.7
156.73094	0.5
161.04556	1.7
164.09042	0.6
181.08778	0.8
204.77040	0.5
221.06630	1.3
233.06845	0.6
455.35287	14.7
456.35690	2.7
509.36087	1.0
599.39679	2.4
600.39618	0.6
617.40906	2.7
731.43317	0.6
749.45490	6.9
750.45410	1.9
911.50372	100.0
912.50787	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	982.5182
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99811	1.3
69.03483	0.4
69.67342	0.3
70.02969	0.7
70.46963	1.5
71.01385	19.1
72.00897	0.5
72.99301	2.3
73.02950	4.6
82.02972	2.2
83.01393	4.8
84.04585	0.7
85.02944	4.6
86.02464	0.4
86.03288	0.5
87.00885	2.4
89.02449	13.1
93.03432	0.4
93.73148	0.4
94.02971	1.3
95.01376	1.1
96.04563	0.7
96.96005	0.5
97.02954	1.5
98.02455	1.3
99.00880	2.9
99.03326	0.6
100.04053	28.6
101.02453	9.3
101.04328	0.4
103.69226	0.4
108.02162	0.7
110.02493	3.1
111.00906	3.8
112.04068	4.9
113.02456	2.8
115.04013	0.6
117.03479	6.0
119.05041	26.2
120.05370	0.9
121.02968	3.8
121.86996	0.4
124.04037	3.2
125.02419	1.1
126.05624	0.9
128.03563	1.0
131.03514	8.9
131.05008	0.9
132.03804	0.4
132.54845	0.4
133.02980	2.2
133.06601	1.2
140.03548	3.3
142.05099	1.7
143.03470	1.2
147.04512	0.5
149.04552	3.4
152.03535	0.7
154.05049	0.6
166.05080	1.2
170.04565	0.8
177.05580	42.6
178.05960	2.0
184.06181	1.2
191.05605	1.1
202.07216	4.6
210.44991	0.4
233.06577	2.0
272.66949	0.4
330.28290	0.5
334.11447	4.4
407.24731	0.5
432.88846	0.5
447.88263	0.4
455.35089	0.8
474.12387	0.4
548.31732	0.6
608.51361	0.4
610.41156	0.5
742.45605	4.8
743.46185	0.9
770.46564	1.2
771.48145	0.4
788.47437	3.9
789.48267	0.5
920.51849	17.1
921.51855	4.7
922.51996	6.4
923.51959	1.8
982.51996	100.0
983.52332	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03545	0.7
71.01390	39.2
71.73177	0.6
72.01729	0.6
72.99312	4.2
73.02975	1.4
75.00890	1.2
75.90199	0.7
79.95757	1.3
83.01408	1.8
84.68183	0.6
85.02961	8.4
87.00903	1.9
89.02454	31.0
93.03475	5.2
95.01379	4.0
95.05067	0.7
95.84489	0.6
96.96032	12.6
97.02971	0.9
99.00896	1.2
101.02462	12.6
102.98473	0.7
105.03506	0.6
107.05072	0.9
108.02219	2.6
109.02978	3.8
113.02460	11.8
117.03467	1.1
119.03519	10.7
119.04931	0.8
120.01302	1.0
121.02975	10.9
122.03762	14.4
123.00897	1.6
123.04566	2.0
124.01716	1.2
125.02465	1.6
129.02003	1.5
131.03522	0.8
131.78694	0.7
132.02219	1.8
133.02985	4.2
134.03760	9.6
135.04572	2.9
136.01683	41.0
137.02480	8.2
137.06117	0.7
138.03293	1.7
139.00374	0.9
139.04028	0.9
143.03526	2.3
145.02969	7.3
146.03766	7.2
147.04578	3.2
148.01706	2.4
149.02470	40.9
149.06099	9.5
150.03249	100.0
151.00536	3.3
151.04034	72.7
152.04379	3.5
153.01945	2.6
153.05580	2.6
160.01706	1.1
161.02478	6.5
161.04602	1.8
161.06116	5.7
162.03258	10.0
163.04044	4.1
164.04825	10.2
165.01913	3.2
165.05585	93.5
166.02744	11.3
166.06133	2.9
167.03514	3.2
175.03978	2.6
176.01086	1.0
176.04832	1.0
177.01959	2.7
177.05583	13.1
178.02798	1.8
179.03531	3.6
179.05618	6.0
179.07158	15.1
180.04321	8.8
180.07365	0.6
181.05093	12.9
187.04060	2.4
188.04688	0.7
189.05624	1.1
190.02788	1.3
190.06383	1.0
191.01921	1.2
191.03436	1.6
192.04306	2.9
193.05026	1.9
194.05783	0.9
195.06642	54.4
196.06995	2.9
203.03465	0.7
203.07272	0.7
204.04256	1.3
205.05089	4.8
206.05820	1.2
207.06636	4.3
219.06650	4.0
220.07455	3.1
221.08191	1.0
225.07692	5.3
241.00087	0.7
282.05115	0.6
299.09235	0.6
301.03650	0.8
309.07455	0.8
315.08563	1.2
329.10104	1.3
355.11539	0.6
359.11237	0.9
371.11209	1.0
373.12848	2.2
386.13696	1.0
387.14725	4.5
393.29761	0.7
401.12357	0.9
402.13260	1.3
403.13815	2.3
416.14844	3.0
417.15469	4.3
421.15155	0.8
430.45358	0.9
517.14301	0.6
535.15631	1.4
536.17468	0.6
549.17499	1.9
550.18469	1.3
551.18890	2.0
552.19897	0.6
564.19885	3.8
565.20874	23.4
566.21411	2.9
577.20386	2.8
581.19568	0.8
583.20685	0.9
594.20691	2.2
595.21844	27.7
596.22559	3.6
612.21735	2.4
613.22723	1.3
649.22198	2.2
713.26239	24.1
714.26556	5.2
725.26294	5.2
726.26147	1.1
743.27258	41.3
744.27557	10.4
755.26605	2.3
761.28351	13.9
762.29059	2.8
773.28613	10.7
774.28766	3.5
791.29498	20.7
792.29425	5.0
855.59906	0.8
971.36938	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	965.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01903	0.2
68.99818	0.5
69.03461	0.5
69.55036	0.6
69.55471	0.5
71.01385	10.7
71.05001	0.2
72.99311	1.7
73.02964	0.7
75.00877	6.5
78.60921	0.1
81.03485	0.2
81.31528	0.1
83.01402	0.5
83.05029	0.6
85.02956	12.6
86.03311	0.2
87.00881	4.7
89.02448	3.0
91.04024	0.5
93.03484	0.3
95.01389	2.6
95.05068	0.2
96.96026	1.0
97.02972	0.2
99.00890	4.2
99.04517	0.2
100.01257	0.1
101.02449	0.7
103.00382	1.3
107.05042	0.6
109.02972	0.4
111.00888	0.5
111.04543	0.2
112.01702	0.4
113.02459	18.5
114.02831	0.4
115.00378	1.1
117.01955	1.2
119.03532	0.2
120.05827	0.3
121.02946	0.3
125.06065	0.3
127.04066	0.1
129.01953	1.1
131.03519	0.7
135.04544	0.2
135.11798	0.3
139.00383	0.2
146.07437	0.1
149.04590	0.6
151.00400	0.4
157.01437	0.6
159.08156	0.2
159.11749	0.1
161.09726	1.4
161.13376	1.2
163.00279	0.1
163.11368	0.6
175.02501	1.5
178.99924	0.1
179.10757	0.8
187.11259	1.3
189.09224	0.7
191.01982	0.2
203.10793	0.5
205.07140	0.6
205.12308	0.9
207.05086	0.9
207.10254	0.5
208.10382	0.1
223.09859	0.2
223.13356	0.7
231.05074	0.6
243.03093	0.3
249.06140	8.5
249.11342	0.3
250.06502	0.3
255.02907	0.7
265.10699	0.1
267.07184	33.9
268.07544	1.4
271.02466	1.5
272.02951	0.3
300.02762	2.2
301.03458	1.7
302.03778	0.2
325.12732	0.1
341.15997	0.2
350.59756	0.1
352.67236	0.1
385.15009	0.2
447.09280	2.1
448.09695	0.3
455.19385	0.2
457.17026	0.5
499.18036	0.5
516.14966	0.2
517.19189	100.0
518.19586	11.3
518.27753	0.2
622.98621	0.1
753.00421	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	963.5249
Annotation	Unknow
Peak:m/z	Relative Intensity
69.55781	2.2
78.95905	26.0
96.96972	2.6
98.20609	0.5
100.51974	0.2
103.64819	0.2
107.09610	0.2
125.33083	0.3
152.99600	39.2
154.00006	0.6
171.00639	11.1
227.03268	2.6
230.74786	0.3
245.04292	50.9
246.04631	1.7
253.21704	21.4
254.22130	1.5
273.05472	0.3
441.22247	0.3
481.25690	100.0
482.26053	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	931.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00296	0.6
71.01371	0.5
79.95738	0.4
83.01378	0.4
85.02937	0.6
95.85661	0.3
95.95245	0.3
96.96024	10.4
98.19834	0.5
100.97992	0.3
107.01416	1.5
108.02185	0.6
109.02948	1.1
121.02967	1.4
123.06895	0.3
125.02447	0.4
138.97131	0.3
146.06126	0.7
148.01631	0.5
151.00392	8.0
153.01942	0.4
163.00432	2.3
169.01480	0.5
175.02498	0.3
178.99870	4.5
180.98022	0.3
191.01903	0.4
194.50055	0.3
211.03993	0.4
215.03363	0.4
226.02763	0.5
227.03532	1.2
229.05058	0.8
241.00221	1.0
243.02957	3.4
244.03326	0.3
245.04491	0.9
254.02202	0.9
255.02965	11.5
256.03363	1.2
259.02725	0.5
267.40961	0.3
267.57214	0.3
271.02451	20.1
272.02954	2.5
273.03943	0.8
283.02432	0.9
284.02893	0.3
299.02103	0.6
300.02753	50.5
301.03506	41.9
302.03918	3.0
403.19867	0.4
438.20300	1.3
439.10818	0.4
439.20663	1.0
447.09332	100.0
448.09644	13.3
481.18146	0.8
482.18613	0.6
483.14691	12.8
484.15558	1.1
542.62225	0.3
778.21313	0.3
796.51782	0.3
944.01184	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00317	1.0
71.01385	0.8
71.73013	0.2
83.01399	0.7
84.10889	0.2
85.02953	1.9
87.04514	0.5
89.02485	0.2
90.41475	0.2
92.95533	0.2
93.03455	0.2
96.95448	0.3
96.96024	3.5
98.95557	0.2
101.02497	0.4
107.01386	1.7
108.02177	0.7
109.02940	1.0
113.02461	0.4
119.01372	0.2
119.05044	0.6
121.02957	1.2
125.02443	0.5
129.01993	0.3
131.73352	0.2
134.03784	0.2
135.00925	0.5
137.02448	0.3
139.04025	0.3
148.01697	0.7
149.02351	0.2
151.00389	7.6
152.00893	0.2
153.01932	0.2
163.00372	1.8
164.01155	0.7
169.01442	0.7
177.01917	0.2
178.99879	4.1
180.00133	0.2
183.04500	0.3
187.03970	0.4
188.04794	0.2
190.02885	0.2
191.00032	0.2
191.02013	0.8
192.00700	0.2
193.05019	0.2
195.13969	0.5
199.03947	0.4
201.05582	0.2
203.03477	0.2
211.04076	0.5
215.03485	0.3
216.04280	0.3
226.02699	0.7
227.03557	1.6
228.03973	0.3
229.05060	0.6
237.14934	0.7
239.03481	0.2
243.02975	4.8
244.03627	0.2
245.04456	0.9
254.02184	1.2
254.25197	0.2
255.02972	14.5
256.03400	1.1
257.04669	0.3
271.02454	31.4
272.02921	3.2
273.03964	0.7
281.13861	0.3
283.02530	1.0
299.02042	1.0
300.02759	66.4
301.03473	31.2
302.03839	2.5
316.02258	0.5
317.02975	1.8
326.04272	0.3
327.04871	0.3
343.04706	0.2
429.13351	0.2
429.21161	0.3
447.09283	2.3
448.10004	0.3
453.18051	1.6
454.18365	0.6
463.08789	100.0
464.09161	11.5
465.09189	0.3
471.18884	0.4
472.19394	0.5
473.10693	0.3
473.17688	0.6
483.15262	0.4
484.15524	0.4
485.16867	2.0
611.14307	1.9
612.14435	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	930.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00311	0.4
69.88844	1.6
71.01375	1.1
73.02962	0.3
79.95760	1.5
80.96513	0.3
83.01379	0.7
85.02961	5.5
86.03310	0.3
87.00875	2.1
88.39065	0.3
89.02466	0.4
95.95243	1.2
96.96020	18.6
98.93990	0.2
98.95583	0.4
107.01405	1.4
108.02188	0.3
109.02943	0.8
113.02483	0.4
119.05111	0.3
121.02992	1.6
123.00936	1.3
124.01670	2.2
125.02468	0.4
125.06108	0.5
129.01967	0.6
130.84206	0.3
132.10843	0.2
135.00893	0.3
138.97078	1.4
139.04030	2.4
147.02951	0.3
148.01712	0.5
149.06110	0.3
150.97084	0.3
151.00371	7.4
163.00410	1.4
164.01086	0.3
167.08495	0.3
169.01381	0.5
177.04086	0.4
178.99892	3.3
180.00061	0.3
187.04001	0.3
189.05396	0.3
191.01996	2.1
192.00696	0.4
198.99194	0.7
204.04169	0.3
211.03932	0.6
225.84601	0.3
226.02696	0.6
227.03508	1.2
229.04997	0.5
241.00232	1.1
243.02966	3.2
244.03804	0.3
245.04510	1.1
254.02216	1.0
255.02962	11.0
256.03519	1.2
271.02448	22.6
272.02942	2.8
273.03958	0.4
283.02359	0.7
299.01978	0.5
300.02744	50.4
301.03485	47.6
302.03848	4.6
411.13260	1.1
415.15897	0.4
428.73492	0.3
433.07733	100.0
434.08084	12.4
451.16354	0.9
453.14526	1.1
477.24048	0.3
495.19260	7.9
495.24832	1.0
496.19620	5.9
496.25113	0.6
497.20987	28.1
498.16647	0.3
509.08878	0.3
712.00427	0.3
715.19781	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.6275
Annotation	Unknow
Peak:m/z	Relative Intensity
65.94791	0.1
71.01380	0.3
71.30579	0.3
71.51815	0.1
79.95727	0.1
80.96515	0.2
104.25070	0.1
114.93412	0.2
116.92853	0.1
154.49089	0.1
199.13216	0.1
205.12312	0.3
205.19662	0.2
233.22736	0.4
259.20627	0.4
275.20087	0.3
277.21716	100.0
278.22055	9.4
291.23367	0.4
318.96045	0.1
319.22693	0.2
331.52866	0.1
375.41653	0.1
399.01376	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	921.3046
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00310	0.9
69.52100	0.2
69.52393	2.2
71.01386	1.8
72.99299	0.3
73.02953	0.4
78.76962	0.2
79.95738	1.0
80.96503	0.3
83.01386	0.7
85.02969	2.3
87.00868	0.8
89.02445	0.5
93.03477	0.4
95.01379	0.4
95.95256	0.3
96.96018	10.8
97.95979	0.2
98.95603	2.0
99.00884	0.7
101.02434	0.7
105.05605	0.2
107.01389	2.2
108.02184	0.7
109.02975	1.5
113.02442	1.9
113.49257	0.2
117.01995	0.3
119.01420	0.2
119.05038	0.3
121.02969	2.1
125.02478	0.4
129.01904	0.3
135.00868	0.5
138.97070	0.3
147.02924	0.3
148.01678	0.7
149.02377	0.3
151.00381	9.1
151.01587	0.5
152.00726	0.4
153.01952	0.4
161.02513	0.3
163.00388	2.3
163.03931	0.3
167.03487	0.2
169.01450	0.8
178.99867	5.0
179.10774	0.7
180.00278	0.3
180.98018	0.3
183.04602	0.3
185.06076	0.3
187.03969	0.4
190.99942	0.3
191.01970	0.3
199.04013	0.3
201.05595	0.3
207.13976	0.3
211.04030	1.1
212.04720	0.3
213.01964	0.3
215.03552	0.5
216.04279	0.3
223.09741	0.3
225.11226	0.3
225.14946	0.8
226.02702	0.7
227.03526	1.5
229.05048	0.9
239.03502	0.4
241.00220	0.8
243.00429	0.3
243.02966	4.5
243.05211	0.2
244.03513	0.4
245.04558	1.6
249.06125	1.3
254.02213	1.1
255.02975	14.8
256.03345	1.3
266.02225	0.3
267.07343	1.1
268.07483	0.2
271.02448	29.2
272.02908	3.0
273.03900	0.8
283.02365	1.4
299.02042	0.8
300.02756	59.1
301.03491	45.3
302.03821	3.9
303.04172	0.3
369.19302	1.0
387.20172	0.6
429.21576	2.3
430.22006	0.3
447.09314	100.0
448.09622	11.7
448.15964	0.4
449.09991	1.6
471.19086	5.2
472.19406	5.4
473.17001	8.9
473.20084	9.1
474.17444	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03455	3.8
70.85587	0.4
70.85919	0.7
71.01385	85.4
72.01730	1.2
72.02133	0.4
72.99312	3.9
73.02951	100.0
74.03281	1.4
75.00876	2.4
81.03465	0.9
83.01396	33.5
84.01711	0.8
85.02959	11.3
87.00875	3.5
89.02455	16.7
95.01404	4.8
96.96017	5.1
97.02969	2.2
98.95613	0.5
99.00879	1.4
99.04533	0.6
101.02455	98.8
102.02798	1.9
111.00874	0.5
113.02464	42.3
114.02802	1.0
117.01940	0.7
119.03518	12.5
120.01269	0.4
125.02465	4.3
131.03523	11.4
143.03522	12.5
144.03802	0.5
147.03009	1.0
149.04573	25.5
150.03252	0.5
150.04866	0.7
155.03511	3.4
161.04576	37.6
162.04855	1.0
179.05624	0.8
185.09030	0.4
200.36882	0.3
203.05621	5.6
204.06020	0.4
221.06680	13.1
222.06972	1.3
241.00211	0.4
291.12668	1.0
381.12381	0.3
401.81351	0.4
413.21756	2.4
414.22049	0.4
439.10425	0.5
441.05087	0.3
773.94727	0.4
915.24768	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	0.8
72.99305	0.1
73.02949	0.1
79.95745	1.8
80.96527	0.8
85.02953	0.3
87.00890	0.1
89.02460	0.2
95.01389	0.1
95.95238	1.1
96.96021	35.5
97.95945	0.1
99.00927	0.1
101.02453	0.4
105.41882	0.1
109.27895	0.1
113.02454	0.2
122.89312	0.1
122.97611	0.5
138.97086	1.2
148.43265	0.1
150.97125	0.6
152.98705	0.1
157.35872	0.1
160.77031	0.1
164.98654	0.2
177.04028	0.3
180.98097	0.4
198.99243	0.4
213.00784	0.1
222.99310	0.1
225.00766	0.2
241.00227	1.8
242.76596	0.1
256.99701	0.7
285.02805	0.2
365.08972	0.2
379.10580	0.6
380.11398	0.1
393.13058	0.1
404.15247	0.1
413.19839	0.1
451.16486	0.1
453.17987	100.0
454.18307	11.8
455.18130	0.1
463.08643	0.1
467.16193	0.1
574.27917	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	919.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00323	0.8
69.67188	1.6
69.67609	2.3
71.01389	1.7
73.02940	1.0
74.68236	0.5
75.37613	0.5
77.24175	0.5
79.95746	2.4
80.96530	1.3
83.01365	1.2
85.02950	0.8
87.08308	0.5
89.02407	0.7
95.95242	0.7
96.96023	40.4
98.95601	7.2
98.96430	2.1
101.02438	2.2
106.28292	0.6
107.01388	1.5
108.02159	0.8
109.02978	1.8
111.00914	0.5
113.02461	1.0
114.07018	0.5
121.02979	1.5
122.97594	0.8
133.02972	0.6
134.72586	0.5
138.97099	1.7
148.01736	0.8
150.97139	0.6
151.00392	8.1
163.00400	2.2
178.99866	4.8
187.03975	0.6
204.06625	0.6
205.12340	0.9
211.03813	0.6
226.02608	0.7
227.03482	1.2
229.05046	0.7
233.97079	0.6
241.00201	1.8
243.00577	0.5
243.03026	3.5
245.04567	1.2
254.02277	0.6
255.02983	12.8
256.03311	1.7
266.79282	0.7
271.02487	23.7
271.05414	1.3
272.02902	1.9
273.04013	1.0
283.02350	1.3
287.92700	0.6
300.02759	53.6
301.03494	42.9
302.03873	2.6
447.09326	100.0
448.09589	10.8
469.17471	31.6
470.17834	40.6
470.22714	0.8
470.24738	1.1
471.18344	81.3
472.12231	2.8
472.18518	6.8
514.15405	0.7
540.67468	0.5
548.11023	0.6
610.92786	0.6
691.13013	0.6
784.63025	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	910.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
69.47492	0.9
69.47915	1.6
74.02470	1.1
75.35484	0.3
78.95904	1.6
82.03010	0.3
86.02464	0.4
93.60190	0.2
99.05650	0.8
112.04038	0.2
115.45394	0.3
116.01760	0.4
123.23160	0.3
127.41441	0.3
128.02658	0.5
128.03543	3.7
143.04645	2.9
146.04587	0.4
149.77576	0.3
152.99594	1.6
160.00783	0.4
167.04507	0.3
177.03374	0.4
177.62495	0.2
179.03183	0.3
179.04639	0.8
179.85938	0.2
187.81842	0.3
189.59558	0.2
205.12393	0.3
210.08748	0.5
226.08264	0.6
254.07753	1.6
272.08887	4.4
273.09280	0.5
279.23233	0.4
286.04941	0.4
306.07623	1.0
432.22272	0.3
433.07626	0.3
435.89578	0.3
442.17615	0.4
443.18726	0.8
444.19131	0.5
444.67374	0.3
445.20255	0.5
457.20123	0.8
458.21259	2.3
458.27414	0.4
459.21988	1.5
462.15082	0.6
463.19427	0.3
475.15842	1.0
476.16733	6.0
476.27502	0.8
477.17346	3.7
477.28210	0.7
489.17569	0.4
490.18185	0.8
491.19131	2.4
492.19397	0.7
502.19449	0.4
503.20660	0.9
517.22430	3.6
518.22827	0.8
521.16302	0.4
535.18048	8.2
536.18591	2.5
545.25781	0.3
546.20605	0.9
547.21320	0.3
549.19830	1.6
550.20258	1.5
551.20514	0.5
605.22009	11.3
606.22223	2.1
622.21985	0.4
637.24969	100.0
638.25323	22.1
638.36072	0.7
639.26990	0.3
878.31659	1.3
879.33051	0.4
910.34662	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	908.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02389	0.3
65.00323	0.7
71.01376	0.4
71.72469	0.2
71.72895	0.3
73.02993	0.2
74.47511	0.1
74.69300	0.1
78.26183	0.1
79.95743	0.5
83.01378	0.6
85.02956	1.6
87.00929	0.1
89.02448	0.2
91.01907	0.2
93.03465	0.3
95.95235	0.4
96.96023	7.4
98.95607	2.0
98.96471	0.3
99.00888	0.2
99.04523	0.4
101.02441	0.5
102.90282	0.1
103.05438	0.1
107.01397	1.5
108.02157	0.7
109.02974	0.8
113.02495	0.2
119.01369	0.2
119.05022	0.4
121.02975	1.3
124.01659	0.3
125.02438	0.6
129.01950	0.3
134.03682	0.2
135.00900	0.2
136.01695	0.2
138.05630	2.3
138.97124	0.2
140.29051	0.2
147.03049	0.2
148.01677	0.7
149.02444	0.4
151.00377	6.4
152.00728	0.3
161.06163	0.2
163.00392	1.6
163.03929	0.2
164.01140	0.5
165.01901	0.3
169.01476	0.9
173.43463	0.2
178.99883	3.7
183.04468	0.3
187.03955	0.5
191.00081	0.2
191.01961	0.9
192.00636	0.3
192.02426	0.2
193.05023	0.2
199.04042	0.4
201.05562	0.3
203.03476	0.3
209.02914	0.3
211.03952	0.7
215.03455	0.3
225.07646	0.2
226.02722	0.8
227.03513	1.7
229.05014	0.3
239.03644	0.2
241.00255	0.4
243.00165	0.2
243.02977	5.1
244.03572	0.5
245.04538	0.8
254.02168	1.4
255.02966	15.2
256.03372	1.4
257.04407	0.2
271.02457	29.9
272.02875	3.7
273.03906	0.6
283.02341	0.7
299.02020	0.7
300.02756	66.2
301.03461	35.6
302.03839	2.7
317.02859	0.2
329.15222	0.2
343.04520	0.2
357.09854	0.5
438.81006	0.2
444.14929	0.4
445.17120	0.3
448.80981	0.2
453.18011	7.7
454.18329	8.5
455.18082	11.9
456.18127	1.9
463.08786	100.0
464.09128	14.3
465.09189	0.2
465.14871	0.2
467.15750	0.5
532.17114	0.2
532.37830	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.519
Annotation	Unknow
Peak:m/z	Relative Intensity
69.54099	0.1
69.54523	0.3
71.01382	0.6
72.99313	0.1
73.02931	0.1
79.95273	0.1
79.95741	1.6
80.96525	0.7
83.01387	0.1
85.02946	0.2
89.02448	0.2
95.95242	1.0
96.96021	35.0
97.95975	0.1
101.02450	0.3
113.02463	0.2
122.97598	0.6
138.97093	1.1
143.03467	0.1
150.97098	0.6
152.98624	0.1
164.98676	0.2
168.98119	0.1
169.01488	0.1
177.04108	0.3
177.91490	0.0
179.54243	0.1
180.98172	0.4
198.99193	0.3
213.00697	0.1
222.99197	0.1
225.00751	0.1
236.66690	0.1
241.00249	1.9
256.99731	0.7
259.01266	0.1
285.02679	0.2
365.09085	0.2
379.10870	0.5
380.11472	0.1
393.12009	0.1
421.15744	0.1
453.17975	100.0
454.18298	10.6
625.33972	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	905.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
67.65624	2.8
69.10370	2.5
70.31020	2.0
71.01383	5.8
73.02943	3.8
79.95725	5.7
85.02966	7.6
89.02438	2.7
96.96021	100.0
98.95610	10.5
101.02477	3.6
118.86622	2.0
121.02991	3.9
151.00409	12.0
178.99901	5.1
191.01953	3.3
241.00223	4.5
243.03081	3.1
255.02989	19.0
271.02502	28.4
272.02682	5.5
283.02695	2.7
300.02780	69.0
301.03488	53.3
302.03882	4.2
326.93390	2.3
433.07733	98.0
434.08023	10.2
447.09329	26.4
448.09698	5.3
457.17511	32.3
457.24731	77.9
458.18301	2.9
458.25064	5.8
469.17474	12.5
470.17484	12.7
471.18475	34.5
614.69434	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	905.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02399	0.3
65.00316	0.7
69.51852	1.4
69.52262	0.5
71.01402	0.9
73.02934	0.8
73.09165	0.2
73.58232	0.2
74.98365	0.2
79.95742	0.3
82.72507	0.2
83.01383	0.7
85.02937	0.3
89.33675	0.2
93.03457	0.2
95.95249	0.2
96.96021	6.2
98.95583	0.3
101.02461	0.8
107.01409	2.0
108.02193	0.6
108.22983	0.2
109.02969	1.3
113.02450	0.3
121.02982	2.0
125.02445	0.5
128.32494	0.2
135.00879	0.5
148.01694	0.7
151.00377	9.1
152.00851	0.4
153.01974	0.3
158.81931	0.2
159.04532	0.5
161.02481	0.2
161.80449	0.2
163.00394	2.4
164.01144	0.3
169.01428	0.6
175.04071	0.2
178.99870	5.5
185.05991	0.2
187.03943	0.4
192.00621	0.3
199.03905	0.3
201.05557	0.4
203.03558	0.3
205.12347	1.1
211.03957	0.6
215.03419	0.4
216.04253	0.5
226.02750	0.8
227.03455	1.4
228.04004	0.3
229.05087	0.8
239.03482	0.4
241.00206	0.2
243.02959	4.8
244.03520	0.5
245.04559	1.4
254.02109	1.3
255.02969	14.6
256.03333	1.4
266.02286	0.2
271.02441	29.2
272.02884	2.8
273.04059	0.9
283.02487	1.4
299.01968	0.7
300.02747	57.8
301.03482	56.6
302.03821	4.5
303.04050	0.5
384.64301	0.3
433.07730	100.0
434.08075	11.5
435.08218	1.4
469.17319	1.2
470.17801	1.2
471.19016	12.6
472.19489	1.0
483.66647	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
66.91152	0.1
69.69006	1.1
71.01371	0.5
72.99300	0.2
76.77657	0.1
79.95734	1.7
80.77150	0.1
80.96534	0.7
85.02983	0.3
87.00886	0.2
95.95238	0.6
96.96020	39.7
97.95946	0.2
98.20638	0.2
98.95602	1.2
98.96391	0.1
99.00867	0.1
101.02459	0.5
122.97604	0.3
138.97095	0.5
145.81165	0.1
150.97096	0.5
152.98636	0.5
180.98132	0.8
225.00682	0.2
228.44257	0.1
241.00224	2.5
256.99716	0.8
285.02942	0.2
379.10733	0.2
449.14413	0.2
451.16422	4.3
451.22531	0.3
452.16763	4.4
453.17944	100.0
454.18274	11.0
455.18246	0.4
561.71893	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	0.7
72.99323	0.2
73.02928	0.3
79.95741	2.4
80.96513	0.8
83.01389	0.2
83.50134	0.1
85.02955	0.4
87.00914	0.1
89.02444	0.1
95.95242	2.1
96.96021	38.9
97.95958	0.1
98.95614	0.3
101.02448	0.5
104.85461	0.1
107.91635	0.1
122.97578	0.6
138.97089	1.1
150.97070	1.0
152.98561	0.2
164.98642	0.2
177.04041	0.4
180.98152	0.4
198.99216	0.3
213.00710	0.2
222.99144	0.1
225.00780	0.3
241.00229	2.4
256.99786	0.6
299.04407	0.4
319.65265	0.1
368.58521	0.1
382.46646	0.1
421.67886	0.1
436.13617	0.1
449.15005	0.7
450.15155	0.6
451.16409	100.0
452.16745	12.7
453.17932	4.0
454.18292	0.4
465.13922	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02417	0.2
65.00304	0.7
66.23825	0.1
70.02963	0.2
71.01363	0.2
71.72463	0.2
74.02488	1.3
83.01396	0.4
85.02933	0.3
96.96028	1.0
98.02489	0.3
107.01402	2.0
108.02157	0.8
109.02949	0.7
116.03531	0.4
116.05079	0.7
121.02952	1.0
125.02415	0.2
135.00842	0.3
135.04480	0.2
142.06697	0.2
148.01727	0.8
148.02805	0.1
149.02444	0.3
151.00392	8.1
152.00784	0.2
160.04007	0.3
161.02431	0.2
163.00385	1.7
164.01102	0.4
165.01956	0.2
169.01414	0.6
175.04031	0.2
178.99876	4.1
180.00296	0.1
183.04547	0.3
187.03943	0.3
188.71936	0.1
189.05478	0.2
190.02615	0.2
190.99815	0.2
191.03554	0.3
192.00597	0.2
193.01384	0.2
199.03976	0.3
203.08276	1.4
209.02859	0.1
211.03970	0.6
215.03537	0.4
216.04282	0.4
226.02719	0.6
227.03531	1.5
228.04283	0.2
229.05069	0.2
239.03484	0.4
243.02956	5.3
244.03630	0.7
245.04454	0.8
245.09302	2.5
254.02231	1.3
255.02979	15.4
256.03378	1.6
257.04544	0.2
264.18008	0.1
266.02206	0.2
271.02454	32.7
272.02893	3.1
273.03976	0.9
283.02469	0.9
297.03769	0.1
299.01901	0.8
300.02753	67.3
301.03464	30.0
302.03879	2.0
343.04578	0.6
411.13251	0.5
447.09238	3.5
448.09476	0.2
463.08771	0.2
467.15793	0.3
609.14734	100.0
610.15063	16.1
647.05231	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
62.59998	0.1
69.03472	0.1
69.40417	1.3
71.01372	0.7
72.00916	0.2
72.99318	0.2
73.02985	0.1
79.95743	3.2
80.96523	0.8
83.01397	0.1
85.02965	0.8
86.03304	0.1
87.00885	0.2
89.02467	0.1
95.95237	3.6
96.96020	40.3
97.95957	0.1
98.95644	0.1
101.02472	0.6
113.02464	0.2
115.73840	0.1
122.97597	0.7
129.01939	0.2
138.97064	0.8
141.95761	0.2
150.97089	1.0
155.10838	0.1
164.98645	0.4
167.03662	0.2
177.04192	0.1
180.98111	0.5
191.02031	0.2
198.99164	0.4
204.06970	0.1
213.00638	0.2
225.00739	1.3
227.13980	0.2
241.00226	2.3
242.00508	0.1
255.02902	0.4
256.99713	0.2
259.01166	0.3
271.02454	0.4
272.02908	0.2
283.40002	0.1
300.02704	1.1
301.03299	0.9
302.03598	0.3
356.81421	0.1
374.08835	0.1
433.07596	0.8
434.08121	0.2
463.13196	0.2
464.07977	0.3
464.13699	0.3
465.14328	100.0
466.14627	12.0
467.05630	0.1
467.15768	0.3
622.52704	0.1
680.33459	0.5
716.32892	0.1
899.28339	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	892.4576
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98534	17.9
69.43334	100.0
71.01382	19.7
89.02424	13.1
101.02480	12.0
119.03487	11.3
169.99965	9.4
171.10274	86.6
172.10602	38.3
223.43488	10.4
277.21735	40.4
278.22012	29.1
279.22623	13.5
280.22662	12.5
305.65308	8.8
333.63986	9.0
354.31522	9.5
397.13528	24.4
399.13998	19.3
724.20673	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	887.3617
Annotation	Unknow
Peak:m/z	Relative Intensity
64.09652	0.1
69.96417	0.5
71.01376	0.7
72.99306	0.2
73.02965	0.1
75.00897	0.1
77.43056	0.1
79.95745	1.5
80.96515	0.8
83.01382	0.1
85.02959	0.7
87.00873	0.1
89.02448	0.3
95.01385	0.1
95.95240	1.0
96.96022	33.7
98.20574	0.1
98.95586	0.1
101.02448	0.4
113.02464	0.4
122.97606	0.4
129.01967	0.2
138.97078	0.9
150.97095	0.6
164.98631	0.3
168.98186	0.1
177.04039	0.3
180.98126	0.4
198.99220	0.5
203.01958	0.1
222.99031	0.1
231.72737	0.1
233.06378	0.1
241.00252	1.8
242.00348	0.1
256.99728	0.7
271.02295	0.2
285.02765	0.3
316.02081	0.2
365.09113	0.2
379.10535	0.4
411.13724	0.1
413.14731	0.3
423.13403	0.1
433.17239	0.3
437.14859	0.1
451.16495	0.1
453.17990	100.0
454.18298	11.7
463.08658	0.2
837.85889	0.1
869.78339	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4832
Annotation	Unknow
Peak:m/z	Relative Intensity
61.74437	0.3
61.98828	1.4
68.95045	0.3
69.03458	1.0
71.01385	15.7
71.72949	0.5
72.99318	1.2
73.02939	2.5
75.00868	0.4
76.65636	0.3
79.12656	0.2
81.03473	0.6
83.01408	1.5
83.01837	0.3
83.05035	0.3
85.02950	4.2
87.00877	4.4
89.02451	12.3
95.01405	1.1
97.02962	2.6
99.00886	0.9
101.02457	11.8
109.02966	0.4
111.00909	0.3
111.04508	0.5
113.02464	7.6
116.92844	0.4
119.03532	3.2
124.01730	0.3
125.02461	6.8
125.09763	0.9
127.11289	2.0
131.03491	0.7
141.01930	0.4
143.03523	2.4
145.05054	0.3
153.09219	0.5
161.04597	3.4
167.03511	0.5
171.10284	100.0
172.10605	4.7
179.05588	2.9
185.11856	0.3
199.06139	0.6
209.11819	0.3
213.11346	0.6
217.05371	0.3
217.07124	1.6
221.06657	1.5
235.08235	5.4
245.06677	0.3
253.09303	1.1
259.08249	0.8
263.07712	0.5
277.21716	53.6
278.22058	4.6
287.07614	2.4
301.09210	0.7
305.08859	2.2
323.09991	1.4
379.12457	16.1
380.12827	1.0
397.13522	39.4
398.13867	2.9
415.14508	6.7
416.15393	0.5
507.04337	0.3
551.23505	4.5
569.24567	4.7
570.25189	0.8
652.02563	0.3
657.35144	1.3
658.35400	0.4
675.36163	1.8
676.36975	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4879
Annotation	Microtoenin A
Peak:m/z	Relative Intensity
61.98836	1.4
67.01875	0.3
69.03450	1.4
71.01385	20.0
71.73242	0.3
71.73936	0.2
72.01704	0.4
72.99317	1.9
73.02951	3.7
75.00880	0.6
81.03469	0.7
83.01398	2.4
83.05025	0.5
85.02961	5.3
87.00882	3.5
87.04528	0.2
89.02454	14.8
91.04027	0.4
95.01397	1.6
95.05022	0.2
97.02962	2.7
97.06593	0.6
97.98010	0.2
99.00898	1.3
99.04548	0.3
101.02457	14.5
103.00379	0.2
109.02963	0.4
111.00907	0.6
111.04563	0.4
111.08163	0.8
113.02460	6.4
115.04031	0.3
119.03529	3.1
125.02458	3.3
129.01952	0.3
131.03514	0.7
133.05093	0.6
139.04027	0.5
141.01952	0.4
143.03531	1.7
161.04584	1.8
163.11232	0.3
165.12866	7.2
166.13182	0.3
179.05606	1.9
183.13913	73.2
184.14275	3.8
185.04613	0.2
196.38091	0.2
197.15556	0.2
209.11838	1.2
217.07172	0.3
221.06671	3.4
227.12880	5.0
228.13190	0.2
235.08217	2.2
253.09253	0.5
263.07697	0.4
266.14267	0.2
277.21716	29.9
278.22034	2.7
293.21503	0.4
301.55457	0.2
323.09686	0.3
371.93768	0.2
379.12653	1.2
379.16769	0.2
397.13510	8.2
398.13864	0.4
415.14645	1.8
581.28064	0.6
584.56451	0.2
589.24799	0.4
607.25928	1.2
625.27081	2.5
647.12274	0.3
867.48022	0.5
885.48822	100.0
886.49170	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4887
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98839	3.5
69.03455	0.9
70.51466	0.6
70.51865	0.8
71.01386	17.9
72.99306	1.6
73.02949	3.1
81.03470	0.7
83.01395	1.9
83.05013	0.7
85.02959	4.1
87.00893	2.7
89.02448	13.5
93.03423	0.3
95.01401	1.3
97.02960	2.6
97.06613	0.5
99.00887	1.3
101.02452	11.9
109.02979	0.4
111.04512	0.5
111.08162	1.3
113.02451	5.4
119.03522	3.1
119.75250	0.4
125.02464	3.0
128.66782	0.3
131.03577	0.5
139.03972	0.6
141.01974	0.5
143.03514	1.6
149.04596	0.4
161.04573	2.2
165.12862	6.5
179.05656	1.7
183.13913	46.0
184.14256	2.9
201.77245	0.3
209.11874	1.4
221.06599	2.0
227.12869	3.6
235.08301	2.2
263.07675	0.4
277.21719	43.6
278.22064	4.5
305.08737	0.4
314.63434	0.3
314.72995	0.4
379.12366	1.1
397.13528	7.3
398.13968	0.7
415.14700	1.7
607.26135	1.1
625.27106	0.9
647.80334	0.3
675.36212	0.5
867.49066	0.6
885.48828	100.0
886.49158	29.6
886.66956	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02465	0.7
71.01389	0.7
79.95741	1.9
80.96532	0.8
83.01369	0.2
85.02967	0.5
87.00809	0.2
89.02436	0.3
93.32708	0.1
95.95234	1.9
96.96020	33.8
97.95950	0.2
98.95625	0.2
101.02450	0.5
111.76531	0.2
113.98571	0.1
120.86488	0.1
120.92131	0.1
122.97550	0.4
138.97083	1.4
144.99144	0.1
150.97072	0.8
168.98122	0.2
177.04085	0.5
180.98184	0.4
198.99228	0.4
225.00829	0.3
241.00252	1.7
242.00455	0.1
256.99728	0.9
259.22638	0.1
285.02802	0.4
298.27087	0.1
301.03455	0.1
325.09808	0.1
333.47647	0.1
363.07559	0.2
379.10706	1.7
393.12311	0.4
394.13202	0.2
433.07474	0.2
449.14389	0.2
450.15289	0.5
451.16409	100.0
452.16714	11.8
725.78174	0.2
791.26111	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.181
Annotation	Unknow
Peak:m/z	Relative Intensity
62.58647	0.3
63.02401	0.7
65.00317	1.7
69.85850	0.3
83.01398	1.0
92.09573	0.4
96.96012	0.9
98.19775	0.8
107.01403	4.3
108.02190	1.3
109.02964	1.8
116.73009	0.4
121.02975	3.1
124.01691	0.4
125.02438	0.5
135.00912	0.9
148.01697	1.5
149.02437	0.8
151.00381	15.6
152.93672	0.3
153.02028	0.4
161.02463	0.5
163.00404	4.0
164.01135	0.9
169.01457	1.0
175.03996	0.3
178.99875	7.0
180.00238	0.4
183.04607	0.4
187.04013	0.7
199.04024	0.5
201.05597	0.9
203.03595	0.5
211.03999	1.9
215.03502	0.5
216.04305	0.5
226.02721	1.2
227.03471	2.7
229.05072	1.4
229.81030	0.5
242.02061	0.5
243.02992	7.9
244.03297	0.6
245.04517	2.3
254.02188	1.8
255.02971	25.7
256.03384	2.0
257.04489	0.5
270.01746	0.6
271.02457	48.2
272.02878	4.6
273.03903	1.8
283.02448	2.1
284.03214	0.5
293.95618	0.4
299.01990	1.8
300.02753	100.0
301.03491	80.6
302.03857	6.0
431.06284	0.8
432.06189	0.9
433.07733	78.2
434.08047	8.7
447.09311	80.8
448.09668	8.5
561.01025	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.181
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98095	0.5
69.59177	3.7
69.59602	2.2
73.45251	0.7
83.01414	0.7
96.96046	0.9
106.24982	0.6
107.01391	3.8
108.02198	1.6
109.02958	2.5
120.99696	0.6
121.02935	3.6
134.00110	0.7
135.00882	0.9
148.01717	1.1
149.02415	0.9
151.00381	18.3
162.72319	0.6
163.00378	5.3
164.01100	1.2
169.01476	0.9
178.99884	9.2
183.04643	0.7
199.03992	0.9
211.03976	1.5
226.02757	1.3
227.03543	4.2
229.04898	0.8
243.02985	9.6
245.04562	3.1
254.02238	2.0
255.02956	26.0
256.03381	1.9
270.01587	1.1
271.02454	53.4
272.02939	5.3
273.03793	1.5
283.02600	3.1
299.01968	2.0
300.02750	100.0
301.03488	84.9
302.03952	6.1
431.06223	1.4
432.06296	1.0
433.07742	81.5
434.08023	9.1
446.08374	0.8
447.09323	87.4
448.09647	10.4
463.98859	0.8
548.08118	0.7
605.78180	0.7
609.23444	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98845	0.3
69.03442	0.6
71.01387	12.6
71.73013	0.4
72.99316	0.8
73.02951	13.0
75.00880	0.3
79.95739	0.4
83.01385	4.6
85.02962	3.7
86.33192	0.3
87.00904	0.6
89.02451	3.9
93.03483	0.4
95.01395	0.8
96.96027	5.8
96.96967	0.3
97.02956	0.7
98.95590	0.8
99.00902	0.7
101.02456	14.8
107.01378	0.6
113.01704	0.5
113.02468	7.1
119.03519	2.5
120.01241	0.3
125.02433	0.9
129.01927	0.3
131.03528	2.0
132.02164	0.4
135.00885	0.3
143.03517	2.2
147.03011	0.5
149.04584	3.7
151.00406	1.5
155.03517	0.5
161.02440	0.3
161.04576	6.5
163.00369	0.9
178.99844	0.8
179.05838	0.3
185.06117	0.4
187.03929	0.6
191.01965	1.0
195.04601	0.4
195.06642	0.5
199.04091	0.3
200.04672	0.2
203.05637	0.7
209.03000	0.4
211.04042	1.4
213.05489	0.4
216.00473	0.3
221.06720	1.9
227.03497	33.1
228.03848	2.5
229.05049	3.4
239.03510	0.7
241.04927	0.6
255.02975	49.8
256.03564	6.7
257.04550	1.9
284.03250	64.3
285.04007	48.7
286.04294	3.3
300.02661	0.4
301.03204	0.6
327.05136	0.7
331.17505	0.5
373.18661	0.5
415.23468	1.6
416.23691	0.3
417.08273	100.0
418.08609	11.1
439.10803	1.1
441.10349	0.6
447.09076	0.5
453.18149	0.4
629.22998	0.6
877.30408	0.4
913.07446	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99820	1.1
70.74514	0.7
71.01384	7.9
72.99319	2.3
73.02955	0.6
75.00878	2.6
81.21905	0.2
83.01395	2.9
84.02171	2.6
85.02957	94.2
86.03284	2.4
87.00873	1.8
89.02454	3.5
94.48853	0.2
96.96024	2.7
99.00919	0.5
101.02459	1.0
103.00365	1.7
111.00895	5.5
113.02450	0.3
115.00380	1.4
119.05086	1.5
121.02999	0.3
129.01955	7.9
133.01437	4.7
134.03719	0.3
138.03439	0.2
138.97113	0.3
145.01466	0.4
147.03017	10.2
148.03368	0.4
163.02795	0.3
163.03967	1.5
173.00919	2.6
185.65683	0.2
191.01985	58.5
192.02330	2.6
209.03030	100.0
210.03369	3.6
227.46361	0.2
241.00240	0.5
337.05539	1.2
355.06699	37.6
356.06992	3.5
386.07730	0.4
387.09341	0.5
405.04807	0.7
414.87653	0.2
485.16943	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	865.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
61.80952	0.1
62.75481	0.1
63.02388	0.2
65.00327	0.7
70.92072	0.3
70.92410	0.2
71.01386	0.9
73.02924	0.5
83.01382	1.0
85.02952	0.8
91.01870	0.3
93.03465	0.2
95.95226	0.2
96.96024	2.9
98.95581	0.5
101.02449	0.4
107.01398	2.1
108.02197	0.5
109.02972	1.4
113.02477	0.2
119.01372	0.2
121.02958	1.9
124.01639	0.2
125.02424	0.2
135.00868	0.5
143.03610	0.2
147.00905	0.2
148.01672	0.7
149.02499	0.3
149.04688	0.1
150.03206	0.3
151.00391	9.5
152.00800	0.3
153.01920	0.2
159.04517	0.2
160.04021	0.2
162.02278	0.3
163.00381	2.3
163.04042	0.1
164.01010	0.3
169.01468	0.8
175.04079	0.2
178.99887	4.5
180.00226	0.2
183.04543	0.4
185.06128	0.2
187.03987	0.4
190.99976	0.4
192.00632	0.3
199.03979	0.4
201.05591	0.5
203.03603	0.3
211.03984	1.0
212.04643	0.2
215.03500	0.4
223.13321	0.2
226.02681	0.7
227.03452	1.7
229.05026	0.7
239.03529	0.4
240.04388	0.2
241.14403	0.4
243.02954	4.6
244.03517	0.3
245.04582	1.6
254.02298	1.2
255.02977	14.6
256.03290	1.1
266.02142	0.2
271.02457	26.5
272.02957	2.2
273.03934	1.1
274.04529	0.2
283.02441	1.5
283.15448	0.4
299.02057	0.6
300.02756	57.8
301.03491	45.4
301.07266	0.4
302.03870	2.9
373.18805	0.8
415.16422	1.6
416.16769	1.3
416.98416	0.3
417.16385	2.5
447.09314	100.0
448.09647	11.4
582.86945	0.2
619.45190	0.2
865.34326	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.504
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	2.1
64.43118	0.6
69.03433	1.0
71.00999	0.9
71.01386	17.0
71.72832	0.6
72.99300	1.5
73.02946	2.6
81.03442	0.9
83.01400	2.2
84.12460	0.5
85.02958	3.2
87.00880	2.8
89.02446	12.8
95.01411	0.9
97.02934	3.0
99.00846	1.1
101.02448	12.4
111.08161	1.4
113.02462	5.3
119.03513	2.6
125.02468	3.8
143.03459	1.2
145.74265	0.6
149.04573	0.7
161.04556	1.7
165.12881	5.4
167.37766	0.6
179.05682	1.1
183.13908	40.5
184.14230	2.1
185.04533	0.7
201.93201	0.6
221.06676	1.7
221.34933	0.6
227.12895	2.4
235.08226	2.0
255.23285	55.4
256.23651	5.3
261.28433	0.6
274.25229	0.6
379.12476	1.0
397.13596	5.9
415.14743	1.0
607.25793	1.2
625.27167	1.0
863.50415	100.0
864.50787	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
61.48538	0.4
63.22760	0.3
64.14695	0.3
68.99823	0.5
69.62018	3.0
71.01388	8.3
72.99301	2.0
73.02944	1.4
75.00875	7.1
83.01384	1.1
85.02961	12.7
85.48871	0.3
87.00869	3.3
89.02472	1.8
90.16431	0.4
90.98733	0.3
93.03455	0.7
95.01399	2.8
95.05022	0.4
96.96024	2.5
97.02941	0.6
98.20668	0.6
99.00900	5.2
101.02429	0.6
103.00368	1.2
107.01411	0.8
109.02953	0.4
111.00892	0.7
113.02461	11.9
115.00385	1.3
117.01963	1.5
119.05025	0.4
127.04028	1.0
129.01978	1.0
132.02232	0.4
135.00919	0.5
135.08191	2.2
137.09738	6.7
138.10045	0.4
151.00368	0.7
151.97691	0.4
155.09549	0.7
155.10794	10.4
157.01459	0.5
159.04544	0.4
163.00378	0.8
164.01172	0.5
175.02438	1.1
181.08696	3.4
183.04518	0.6
184.44228	0.4
185.06114	1.0
187.04079	1.0
187.06117	0.8
189.05560	0.6
193.03587	0.5
197.06029	0.4
199.09784	2.2
205.07098	0.5
211.04018	1.1
213.05473	0.6
227.03505	30.1
228.03900	1.8
229.05045	3.8
239.03409	1.0
241.05061	0.7
249.06100	0.6
255.02977	42.1
256.03555	5.9
257.04556	2.8
284.03256	51.9
285.04022	49.9
285.07391	0.7
286.04340	3.9
327.05103	0.5
401.03442	0.3
413.14737	0.8
415.15988	0.5
431.09814	100.0
431.15604	98.5
432.10159	12.2
432.15961	9.3
863.32452	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5149
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98538	0.1
66.26194	0.1
69.66785	0.6
69.67187	0.2
80.28920	0.1
80.96556	0.1
98.19886	0.3
135.71829	0.1
136.05042	0.1
277.91064	0.1
768.40186	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98808	0.1
70.85588	0.3
71.01374	0.5
71.02006	0.1
73.02947	0.1
74.36250	0.1
75.00887	0.1
79.95739	6.7
80.96539	0.2
85.02955	0.6
86.04974	0.1
87.00884	0.2
94.22762	0.1
95.95244	0.3
96.96019	100.0
97.95951	0.4
98.95634	0.3
101.02465	0.2
108.02122	0.1
110.97610	0.7
113.02457	0.4
119.05073	0.2
121.02980	0.2
123.04597	0.2
123.11331	0.1
135.04459	0.2
137.02457	0.5
138.97076	0.1
147.04549	0.2
151.03984	0.2
165.05515	0.2
175.04047	0.1
180.07939	0.1
195.06673	0.2
241.00145	0.3
269.08127	1.4
269.12643	0.1
281.08209	0.3
299.09253	0.9
301.03513	0.1
311.09814	0.1
314.11578	1.7
315.12064	0.2
329.13913	0.3
424.08093	0.2
437.09421	0.2
439.10666	62.3
440.10995	7.9
453.18118	0.4
626.29395	0.1
812.47253	0.2
857.27148	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	98.6
59.11928	1.0
60.01727	1.2
61.98831	10.6
68.99818	1.6
69.03435	4.1
71.01385	89.1
71.28290	2.4
72.99311	10.3
73.02948	19.2
75.00883	5.0
78.95909	2.1
79.95723	3.0
81.03443	1.8
83.01399	11.6
85.02960	40.8
86.00104	2.0
87.00875	14.1
89.02451	53.1
95.01395	7.9
96.96019	23.8
96.96958	1.3
97.02982	5.8
99.00890	7.6
99.04517	2.3
100.03233	1.0
101.02455	47.6
102.02750	1.5
108.02166	1.1
109.02934	1.7
111.00889	4.3
111.04553	1.4
113.02460	30.8
114.02794	1.9
115.00368	1.3
119.03521	5.4
120.01275	1.5
123.04520	1.2
124.01672	2.5
125.02460	8.0
127.03999	1.2
129.01923	3.6
131.03523	25.3
135.04514	1.1
143.03513	3.9
145.05072	1.7
147.04449	1.3
149.04572	12.3
149.05765	1.6
150.03212	4.0
151.00330	1.4
151.03967	1.3
159.02957	2.4
160.04063	1.4
161.04544	4.4
161.09569	1.0
165.05566	3.0
167.03532	2.2
173.04501	2.1
175.02522	1.6
179.10851	1.3
191.02023	2.1
191.05620	13.0
195.06619	2.3
202.31734	1.1
233.06697	2.1
267.06985	1.2
284.90421	1.1
300.02615	1.4
306.07690	1.5
405.88452	1.1
447.09070	1.2
611.34442	7.0
629.35510	4.6
671.36340	1.7
674.54199	1.0
743.38727	100.0
744.38995	22.7
761.39923	55.4
762.40295	16.0
803.41058	42.9
804.41608	13.3
847.31250	7.6
848.34296	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	849.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.4
67.01887	1.0
68.99807	0.8
69.03463	1.1
69.44978	3.0
69.45387	0.9
71.01385	8.2
72.99300	1.9
73.02941	1.9
75.00879	3.8
82.27279	0.4
83.01395	6.6
84.02196	2.0
85.02959	64.5
86.03288	1.5
87.00888	2.8
88.01661	0.7
88.57148	0.4
89.02449	0.5
94.07302	0.4
95.01398	0.6
96.96024	8.2
98.20731	0.4
99.00907	1.9
101.02461	6.3
103.00380	0.8
103.03986	0.4
111.00896	28.4
111.04520	4.0
111.08159	0.4
112.01208	0.8
113.02454	3.7
123.08207	0.5
125.02486	0.5
128.46733	0.4
129.01961	30.2
130.02264	0.8
131.03459	0.6
131.19734	0.4
134.02832	0.6
134.03763	6.5
137.09775	0.4
143.03528	0.4
147.02953	1.7
160.01707	0.5
161.04550	2.8
171.11763	0.7
175.02577	0.5
179.05742	0.5
179.14961	0.4
181.08687	1.0
187.02480	3.0
191.01987	1.3
193.05104	2.8
193.12354	0.4
199.09908	0.5
205.03546	41.7
206.03905	1.6
209.03044	0.9
223.04593	100.0
224.04921	3.8
237.15010	1.3
241.00304	0.4
249.06165	6.3
266.29315	0.4
267.07172	2.1
281.13907	2.3
329.09222	0.4
341.09125	3.9
361.09601	12.4
362.10098	1.2
399.09329	21.0
400.09729	2.2
419.15399	1.1
431.15567	8.9
432.16196	0.6
449.16644	17.3
450.17017	1.8
454.22366	0.4
538.54956	0.4
679.00049	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	6.3
60.39830	0.4
61.98830	1.5
67.01899	1.1
69.03458	0.5
71.01392	4.6
71.73102	0.6
72.99315	1.0
73.02951	1.5
75.00876	1.0
78.95904	0.8
79.95753	1.9
83.01381	1.1
85.02959	4.0
87.00892	1.0
89.02433	1.1
93.03443	0.9
95.01388	1.1
95.89336	0.5
95.93673	0.4
95.95228	1.0
96.36947	0.5
96.96025	17.4
97.02989	0.6
99.00898	0.8
99.04506	0.7
101.02454	1.8
107.05004	0.6
108.02202	0.8
109.02956	5.0
111.00927	0.6
113.02474	2.0
115.00417	0.7
119.04961	0.8
120.01305	0.7
121.02985	1.4
123.00871	2.4
123.04522	0.8
124.01645	0.5
125.02456	1.6
129.01921	1.3
132.02127	0.6
135.04500	1.2
136.01672	2.1
137.02458	26.1
138.03069	0.8
138.97092	0.7
139.00389	0.7
139.04051	0.9
143.03528	0.5
145.02917	0.7
147.04420	0.6
149.02496	2.6
149.06046	0.9
150.03244	3.5
151.00400	12.3
151.04048	5.3
152.01160	2.3
152.04823	3.2
153.01939	0.8
153.05603	1.2
159.04512	0.5
160.04019	0.9
161.02454	1.1
161.04527	0.5
161.06104	0.6
162.03252	1.0
163.04028	1.8
164.01146	1.4
164.04774	0.7
165.01944	100.0
165.05586	7.1
166.02725	40.4
167.03505	4.1
175.04034	2.2
176.04845	0.6
177.01981	2.4
177.05608	1.7
178.02747	1.6
179.03506	22.5
179.07033	1.1
180.04301	62.4
181.05075	50.6
181.06779	1.0
182.05399	2.3
184.03764	1.0
187.04010	2.1
190.02673	1.0
190.06401	1.6
191.01953	1.2
191.03510	1.5
192.04285	1.6
193.05017	2.7
194.05843	4.3
195.03006	3.7
195.06635	81.5
196.06976	4.2
202.06319	0.6
203.03629	0.6
205.05069	5.2
205.08553	1.1
207.06659	2.3
209.04605	0.6
209.08191	0.7
210.05334	12.9
211.05743	0.8
219.06529	0.8
220.07417	3.7
221.08104	0.8
225.07684	70.3
226.07967	4.3
236.99277	0.5
241.00197	0.9
267.07135	0.9
271.02530	0.9
300.02768	0.8
301.03366	0.9
301.06897	0.5
309.04135	0.6
330.50363	0.6
339.08923	0.8
344.08936	0.8
345.09805	1.1
357.09927	0.9
359.11227	1.6
371.11166	0.9
372.12234	1.1
386.13580	1.1
387.10703	7.9
387.14655	6.4
388.11105	1.2
402.13184	5.2
403.13666	2.4
416.14676	3.7
417.15543	61.3
418.15909	8.3
447.09402	1.3
459.15393	1.0
523.75006	0.5
555.29150	0.6
565.18408	1.9
580.19366	1.0
595.21851	52.5
596.22180	8.6
613.22949	1.3
625.22760	0.7
626.22955	0.6
643.24084	36.4
644.24475	6.3
657.11078	0.5
723.36700	0.6
761.32776	1.4
803.33051	2.9
804.33905	0.8
847.32910	6.4
848.33575	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	6.3
60.39830	0.4
61.98830	1.5
67.01899	1.1
69.03458	0.5
71.01392	4.6
71.73102	0.6
72.99315	1.0
73.02951	1.5
75.00876	1.0
78.95904	0.8
79.95753	1.9
83.01381	1.1
85.02959	4.0
87.00892	1.0
89.02433	1.1
93.03443	0.9
95.01388	1.1
95.89336	0.5
95.93673	0.4
95.95228	1.0
96.36947	0.5
96.96025	17.4
97.02989	0.6
99.00898	0.8
99.04506	0.7
101.02454	1.8
107.05004	0.6
108.02202	0.8
109.02956	5.0
111.00927	0.6
113.02474	2.0
115.00417	0.7
119.04961	0.8
120.01305	0.7
121.02985	1.4
123.00871	2.4
123.04522	0.8
124.01645	0.5
125.02456	1.6
129.01921	1.3
132.02127	0.6
135.04500	1.2
136.01672	2.1
137.02458	26.1
138.03069	0.8
138.97092	0.7
139.00389	0.7
139.04051	0.9
143.03528	0.5
145.02917	0.7
147.04420	0.6
149.02496	2.6
149.06046	0.9
150.03244	3.5
151.00400	12.3
151.04048	5.3
152.01160	2.3
152.04823	3.2
153.01939	0.8
153.05603	1.2
159.04512	0.5
160.04019	0.9
161.02454	1.1
161.04527	0.5
161.06104	0.6
162.03252	1.0
163.04028	1.8
164.01146	1.4
164.04774	0.7
165.01944	100.0
165.05586	7.1
166.02725	40.4
167.03505	4.1
175.04034	2.2
176.04845	0.6
177.01981	2.4
177.05608	1.7
178.02747	1.6
179.03506	22.5
179.07033	1.1
180.04301	62.4
181.05075	50.6
181.06779	1.0
182.05399	2.3
184.03764	1.0
187.04010	2.1
190.02673	1.0
190.06401	1.6
191.01953	1.2
191.03510	1.5
192.04285	1.6
193.05017	2.7
194.05843	4.3
195.03006	3.7
195.06635	81.5
196.06976	4.2
202.06319	0.6
203.03629	0.6
205.05069	5.2
205.08553	1.1
207.06659	2.3
209.04605	0.6
209.08191	0.7
210.05334	12.9
211.05743	0.8
219.06529	0.8
220.07417	3.7
221.08104	0.8
225.07684	70.3
226.07967	4.3
236.99277	0.5
241.00197	0.9
267.07135	0.9
271.02530	0.9
300.02768	0.8
301.03366	0.9
301.06897	0.5
309.04135	0.6
330.50363	0.6
339.08923	0.8
344.08936	0.8
345.09805	1.1
357.09927	0.9
359.11227	1.6
371.11166	0.9
372.12234	1.1
386.13580	1.1
387.10703	7.9
387.14655	6.4
388.11105	1.2
402.13184	5.2
403.13666	2.4
416.14676	3.7
417.15543	61.3
418.15909	8.3
447.09402	1.3
459.15393	1.0
523.75006	0.5
555.29150	0.6
565.18408	1.9
580.19366	1.0
595.21851	52.5
596.22180	8.6
613.22949	1.3
625.22760	0.7
626.22955	0.6
643.24084	36.4
644.24475	6.3
657.11078	0.5
723.36700	0.6
761.32776	1.4
803.33051	2.9
804.33905	0.8
847.32910	6.4
848.33575	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	845.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	25.5
61.98823	4.8
67.27483	0.9
69.03440	1.1
69.71360	6.2
70.41215	0.9
71.01387	23.1
72.99305	1.6
73.02950	2.9
81.03491	1.3
83.01382	2.8
83.05031	1.0
85.02957	4.2
85.04060	0.9
87.00879	4.4
88.98789	2.2
89.02450	16.5
95.01411	1.3
97.02959	3.8
97.06622	1.5
99.00855	1.6
99.78110	1.0
101.02464	14.0
109.06561	2.1
111.00935	1.2
113.02454	7.0
119.03501	3.4
125.02462	4.5
135.08255	1.2
143.03537	1.2
154.83148	1.0
161.04582	3.1
179.05650	5.0
213.14925	1.3
214.15823	1.1
221.06642	2.8
235.08133	1.4
239.16615	1.4
241.18161	1.8
293.21396	1.4
304.63641	1.2
315.26941	2.4
325.25327	4.5
333.27780	1.3
334.28421	1.1
337.35645	0.9
343.26352	4.2
351.23312	1.5
359.25861	4.3
361.27402	3.1
369.24213	5.7
377.26718	1.3
387.25464	13.8
388.25879	2.8
397.13339	4.8
398.14151	1.1
405.26492	22.7
406.26569	3.1
452.23651	1.1
466.83768	1.1
665.13788	1.1
757.40601	1.4
785.39905	100.0
786.40228	25.9
845.54584	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	845.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.0
61.31852	0.1
62.65746	0.1
63.48728	0.1
66.43898	0.1
69.03446	0.1
71.01384	1.0
71.72901	0.2
72.99297	0.2
73.02947	0.3
73.66637	0.1
75.00880	0.1
79.95739	2.0
80.96055	0.1
80.96516	0.8
83.01407	0.2
85.02962	0.9
87.00878	0.3
87.04513	0.1
89.02451	0.2
95.95239	1.0
96.96020	42.6
97.02966	0.1
99.00909	0.2
101.02448	0.6
103.00405	0.2
113.02469	0.3
119.05044	0.1
122.97630	0.5
129.53117	0.1
131.03429	0.1
134.03757	0.6
138.97084	2.0
147.03127	0.1
149.04391	0.1
150.97083	0.7
152.98656	0.1
164.98637	0.3
168.98170	0.1
177.04053	0.1
177.05537	0.1
180.98143	0.4
191.01987	0.2
191.05632	0.2
193.05090	0.6
194.99460	0.1
198.99202	0.9
205.03647	0.1
209.03003	0.1
219.59932	0.1
219.62430	0.1
222.99188	0.2
225.00827	0.1
237.14996	0.2
241.00218	2.2
242.00519	0.1
255.03064	0.1
256.99677	0.2
259.01254	0.2
271.02432	0.2
275.48340	0.1
300.02759	0.3
301.03262	0.1
309.51907	0.1
411.13287	100.0
412.13611	10.0
413.14639	0.4
433.07635	0.4
496.85712	0.1
535.95032	0.1
624.95862	0.1
645.30914	0.1
845.29382	0.2
856.91943	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	843.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01093	0.3
59.01378	4.6
68.99819	0.8
71.01385	5.0
71.71910	0.2
71.72315	0.2
72.99311	2.1
73.02952	0.6
74.32993	0.2
75.00876	3.3
79.95751	0.2
83.01390	3.4
84.02165	3.0
85.02959	100.0
86.03297	1.9
87.00874	1.3
88.75862	0.2
89.02471	0.6
96.96024	3.9
98.95626	0.2
99.00896	0.5
101.02464	0.9
103.00394	1.6
105.23159	0.2
111.00895	5.7
115.00380	1.1
117.03452	0.3
120.01278	0.2
121.28673	0.2
122.62122	0.2
124.04083	0.2
129.01962	7.8
133.01465	0.9
134.03757	4.0
135.04498	0.3
138.05617	0.2
143.25906	0.2
145.01472	0.4
145.02847	0.2
147.03011	13.9
148.03334	0.3
149.06152	0.3
163.02554	0.3
163.04051	0.2
165.04018	0.4
166.63945	0.2
173.00931	2.3
175.04039	0.3
178.02689	0.3
181.14879	0.2
191.01987	71.0
192.02322	2.7
193.05054	2.5
209.03029	19.3
210.03398	0.7
218.82426	0.2
222.70615	0.2
223.04510	0.6
241.00169	0.3
349.05988	1.4
350.06461	0.3
361.09888	0.3
367.06720	1.6
385.07745	27.2
385.11716	1.0
386.08005	2.8
386.12280	0.3
429.14380	0.3
437.08588	0.2
457.14273	0.9
485.16827	0.6
487.17328	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.0
61.31852	0.1
62.65746	0.1
63.48728	0.1
66.43898	0.1
69.03446	0.1
71.01384	1.0
71.72901	0.2
72.99297	0.2
73.02947	0.3
73.66637	0.1
75.00880	0.1
79.95739	2.0
80.96055	0.1
80.96516	0.8
83.01407	0.2
85.02962	0.9
87.00878	0.3
87.04513	0.1
89.02451	0.2
95.95239	1.0
96.96020	42.6
97.02966	0.1
99.00909	0.2
101.02448	0.6
103.00405	0.2
113.02469	0.3
119.05044	0.1
122.97630	0.5
129.53117	0.1
131.03429	0.1
134.03757	0.6
138.97084	2.0
147.03127	0.1
149.04391	0.1
150.97083	0.7
152.98656	0.1
164.98637	0.3
168.98170	0.1
177.04053	0.1
177.05537	0.1
180.98143	0.4
191.01987	0.2
191.05632	0.2
193.05090	0.6
194.99460	0.1
198.99202	0.9
205.03647	0.1
209.03003	0.1
219.59932	0.1
219.62430	0.1
222.99188	0.2
225.00827	0.1
237.14996	0.2
241.00218	2.2
242.00519	0.1
255.03064	0.1
256.99677	0.2
259.01254	0.2
271.02432	0.2
275.48340	0.1
300.02759	0.3
301.03262	0.1
309.51907	0.1
411.13287	100.0
412.13611	10.0
413.14639	0.4
433.07635	0.4
496.85712	0.1
535.95032	0.1
624.95862	0.1
645.30914	0.1
845.29382	0.2
856.91943	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	845.218
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.2
61.98816	0.4
63.02395	0.6
65.00309	0.8
67.01921	0.2
69.03444	0.3
71.01381	1.6
71.73494	0.3
72.99302	0.4
73.02930	0.5
82.37022	0.2
83.01378	1.1
84.32912	0.2
85.02955	2.6
87.00887	0.6
89.02435	0.6
93.03464	0.6
95.01387	0.5
96.96036	3.2
99.00877	1.1
101.02466	0.3
107.01407	2.5
108.02173	0.8
109.02984	1.6
111.00877	0.4
113.02467	1.4
119.01409	0.2
119.05061	0.3
121.02946	1.8
124.01656	0.3
125.02474	0.3
129.01974	0.4
134.03773	0.3
135.00885	0.7
147.04543	4.7
148.01703	0.5
149.02414	0.5
149.06100	0.3
150.03188	0.3
151.00388	10.1
152.00999	0.3
159.04579	0.3
163.00403	2.6
163.03922	0.2
164.01120	0.3
165.05457	0.3
169.01431	0.7
175.03979	0.3
176.04781	0.3
178.99870	5.1
183.04539	0.5
187.03944	0.2
190.99870	0.3
191.01920	0.4
192.00618	0.3
195.13939	0.3
197.15495	1.9
199.04001	0.3
201.05582	0.5
203.03569	0.3
211.04028	1.3
216.04344	0.3
223.13339	0.3
226.02679	0.7
227.03557	1.7
229.04941	1.0
231.05104	0.4
234.64948	0.2
235.06305	0.2
239.03461	0.3
239.16417	0.4
240.04185	0.2
241.14505	1.8
243.02972	4.4
244.03506	0.6
245.04486	1.5
247.03944	0.3
249.06186	2.5
254.02280	0.8
255.02966	15.3
256.03476	1.3
271.02454	27.7
272.02872	2.4
273.04059	1.0
283.02451	1.5
283.15433	1.5
284.02710	0.3
285.03961	0.3
299.01999	0.6
300.02753	59.5
301.03485	46.2
302.03857	3.6
397.11398	10.5
398.11957	1.2
447.09314	100.0
448.09641	12.4
451.16458	1.3
607.40912	0.2
713.26563	0.3
845.31659	0.4
846.30682	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01086	0.5
59.01375	6.6
68.99812	1.4
71.01385	8.8
71.71991	0.2
72.99323	1.8
73.02953	0.4
75.00883	2.5
79.95711	0.4
83.01402	2.6
84.02169	2.5
85.02957	99.0
86.03297	2.5
87.00880	1.6
89.02452	3.7
89.48766	0.3
94.22949	0.3
95.95225	0.3
96.96017	6.4
99.00907	0.5
101.02471	1.2
103.00383	1.8
111.00889	5.8
115.00362	1.3
119.05068	1.8
129.01959	7.8
129.02937	0.4
133.01454	4.3
134.03709	0.3
138.97154	0.3
145.01393	0.5
145.03021	0.6
147.01830	0.5
147.03011	9.9
163.03966	1.5
172.69695	0.3
173.00925	2.6
191.01984	59.5
192.02353	2.2
209.03027	100.0
210.03331	3.7
241.00305	0.9
323.13358	0.8
324.07468	0.3
337.05609	1.1
338.05899	0.3
346.93414	0.2
355.06711	39.4
356.07053	3.4
423.05664	0.3
469.17404	0.5
483.15417	7.5
484.15707	1.1
807.95172	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.1
61.98832	100.0
62.98535	0.2
71.01374	0.1
80.04070	0.1
86.31143	0.1
87.00909	0.3
89.14751	0.1
96.96046	0.3
96.96993	0.1
108.36258	0.1
115.00387	1.1
119.05077	0.3
129.91022	0.1
130.90981	0.1
174.01779	0.3
175.02538	0.9
187.04013	0.1
191.07205	0.1
259.05884	0.1
261.04086	0.1
291.08710	0.5
291.19748	0.2
309.20657	0.5
310.21265	0.3
679.09106	0.1
715.34271	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98833	14.8
69.03461	2.4
71.01389	51.7
71.73087	1.8
72.99313	4.8
73.02956	13.8
75.00870	3.7
81.03455	1.9
83.01400	10.5
83.82228	1.1
85.02961	29.4
87.00869	8.1
88.98827	1.7
89.02460	17.8
95.01369	6.1
96.96017	24.1
96.96965	1.2
97.02953	4.3
97.06602	1.5
97.14286	1.2
99.00902	5.6
101.02457	26.2
108.02177	1.2
109.02976	1.4
111.00889	3.5
113.02470	30.4
115.00362	1.4
119.03522	5.7
123.08250	1.3
124.01612	2.9
125.02470	12.0
127.04088	1.4
129.01984	2.2
137.02457	1.7
143.03531	4.0
149.04659	1.5
150.03230	3.6
150.22189	1.2
161.04559	4.2
165.05544	2.2
166.02815	1.6
170.29179	1.2
175.02501	1.9
179.05629	2.3
181.05029	2.5
191.01990	1.6
195.06552	1.2
209.11659	1.5
231.50473	1.1
235.17155	1.3
241.00330	1.5
260.16742	1.2
280.01447	1.3
305.25140	1.6
341.26944	2.4
417.15573	2.2
455.02222	1.3
485.31137	7.1
503.32245	3.7
583.61334	1.3
629.35522	31.6
630.36017	5.2
647.36578	58.4
648.36835	10.7
665.37762	12.8
666.37506	2.7
689.37677	21.8
690.38055	5.3
707.38812	34.0
708.39319	5.4
749.39868	5.6
750.40009	2.4
793.39240	6.0
837.33264	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	837.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98833	14.8
69.03461	2.4
71.01389	51.7
71.73087	1.8
72.99313	4.8
73.02956	13.8
75.00870	3.7
81.03455	1.9
83.01400	10.5
83.82228	1.1
85.02961	29.4
87.00869	8.1
88.98827	1.7
89.02460	17.8
95.01369	6.1
96.96017	24.1
96.96965	1.2
97.02953	4.3
97.06602	1.5
97.14286	1.2
99.00902	5.6
101.02457	26.2
108.02177	1.2
109.02976	1.4
111.00889	3.5
113.02470	30.4
115.00362	1.4
119.03522	5.7
123.08250	1.3
124.01612	2.9
125.02470	12.0
127.04088	1.4
129.01984	2.2
137.02457	1.7
143.03531	4.0
149.04659	1.5
150.03230	3.6
150.22189	1.2
161.04559	4.2
165.05544	2.2
166.02815	1.6
170.29179	1.2
175.02501	1.9
179.05629	2.3
181.05029	2.5
191.01990	1.6
195.06552	1.2
209.11659	1.5
231.50473	1.1
235.17155	1.3
241.00330	1.5
260.16742	1.2
280.01447	1.3
305.25140	1.6
341.26944	2.4
417.15573	2.2
455.02222	1.3
485.31137	7.1
503.32245	3.7
583.61334	1.3
629.35522	31.6
630.36017	5.2
647.36578	58.4
648.36835	10.7
665.37762	12.8
666.37506	2.7
689.37677	21.8
690.38055	5.3
707.38812	34.0
708.39319	5.4
749.39868	5.6
750.40009	2.4
793.39240	6.0
837.33264	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	837.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.6
61.98841	0.3
62.88116	0.3
65.51688	0.2
71.01389	3.6
71.73013	0.4
72.99309	0.7
73.02946	0.9
75.00874	0.3
79.95741	7.4
80.96523	4.7
82.66578	0.2
83.01386	0.9
85.02963	2.0
87.00883	1.5
88.21923	0.2
89.02461	0.4
91.73354	0.2
94.98078	0.3
95.01408	0.3
95.95250	0.7
96.96023	100.0
99.00894	0.7
101.02459	3.7
109.12794	0.2
110.97635	0.3
113.02458	2.4
119.75381	0.2
122.97585	0.7
137.96289	0.5
138.97089	6.5
143.03523	0.4
148.05315	3.7
150.97125	1.6
159.03099	0.3
159.61279	0.2
163.07645	0.9
164.98602	0.5
166.96564	1.0
168.98196	0.4
175.02512	0.2
180.98170	0.9
209.44624	0.3
211.05293	0.2
215.69279	0.2
222.99146	0.7
241.00230	63.1
242.00577	2.3
246.44432	0.2
278.41376	0.3
284.03513	0.3
405.08612	77.1
406.08957	7.2
661.36334	0.3
837.29559	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.5199
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98525	0.2
70.79694	0.0
71.53014	0.1
78.95907	0.1
101.09950	0.0
110.63962	0.0
278.22061	0.1
288.15317	0.0
389.85513	0.0
854.20197	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	835.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	5.3
61.98827	10.8
68.99820	1.9
71.01389	12.7
71.73349	1.5
72.99310	1.9
73.02985	2.5
75.00871	2.8
78.95928	1.2
81.64884	1.1
83.01413	6.2
85.02944	2.9
87.00376	2.2
87.00883	22.6
93.03473	7.4
97.02954	1.9
99.00867	7.4
101.02471	1.5
105.28847	1.1
111.00886	5.1
113.02458	3.7
113.99569	1.5
115.00389	74.5
116.00712	1.4
117.03477	4.2
119.05042	28.8
121.02966	1.7
123.04536	4.5
125.02418	2.9
132.02251	1.3
133.02968	5.1
133.06635	8.0
134.03720	2.8
135.04549	2.9
139.00375	5.2
143.05023	1.3
145.02965	4.8
145.06572	2.6
147.04590	11.7
157.01442	8.6
161.06064	2.6
171.04585	5.8
173.06050	3.8
174.01741	8.6
175.02480	53.0
175.04016	10.2
176.02802	2.0
176.04681	1.2
177.05568	12.5
187.04079	5.5
187.07689	2.8
189.05559	7.2
190.06332	1.3
191.07141	18.2
203.03506	3.3
203.07217	1.6
206.05858	4.2
207.06636	3.6
215.03584	1.3
215.07137	4.9
215.95416	1.1
216.04276	2.7
217.05107	8.0
218.05818	10.9
231.06514	3.0
259.06104	13.8
261.03995	6.2
277.21744	3.1
291.08731	100.0
292.09088	8.7
302.47507	1.1
402.44772	1.3
643.31488	3.5
669.91351	1.3
713.35486	4.7
715.33545	25.1
716.34149	7.0
757.33942	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	12.9
60.10984	1.1
61.98828	11.6
69.07140	1.0
70.70230	3.6
71.01376	7.5
73.14468	1.2
75.00866	1.4
75.82493	0.9
78.95914	1.5
79.95720	1.0
83.01397	1.2
85.02969	4.7
87.00893	2.8
96.96024	9.6
99.00909	1.0
101.02465	3.5
104.05049	2.6
106.06641	3.5
113.02477	3.0
115.00404	1.8
119.03468	1.1
130.06610	1.1
132.04570	5.5
134.06184	1.3
148.04060	1.6
160.04086	2.2
161.04756	1.8
174.01755	1.4
174.05574	2.0
175.02493	3.1
187.08754	18.7
208.14261	1.2
210.07993	3.6
211.05251	2.1
211.08823	3.3
212.05936	6.4
213.06705	3.6
214.12340	1.2
223.08760	5.7
224.09590	10.5
225.06709	3.6
225.10292	12.9
227.08311	1.9
235.08791	2.4
236.05835	1.4
237.10323	4.0
239.08237	2.1
239.11923	13.5
240.09090	2.1
241.09842	18.9
242.10197	1.8
243.04025	3.9
249.10410	5.0
250.07484	5.7
251.08241	26.9
252.08809	3.7
253.09914	1.3
255.11356	1.7
257.12939	17.1
258.13269	1.5
265.09808	14.9
266.10422	1.8
267.11374	35.4
268.11774	3.4
269.09479	1.8
283.10559	1.0
284.48322	1.1
293.09305	33.6
294.09668	2.6
301.11804	1.4
309.08633	1.5
311.10376	31.6
312.10760	3.2
355.09436	8.8
436.19113	2.0
438.18866	1.4
533.18280	1.9
534.19458	1.8
535.20142	2.8
541.30371	1.3
549.21167	2.3
561.18011	2.5
568.14191	1.3
577.20697	3.6
579.18707	6.5
623.17834	2.7
639.20593	1.6
688.88092	1.4
757.27527	17.2
758.27905	3.3
801.26471	100.0
802.26917	27.0
833.28894	11.2
834.29272	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	833.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00581	0.7
59.01377	47.3
59.85003	0.8
60.01730	0.9
61.98827	2.3
67.01277	0.8
69.03459	1.2
71.01387	22.1
71.73228	1.6
72.99303	1.8
73.02953	13.1
75.00883	2.2
77.92364	0.7
83.01379	6.3
85.02950	11.6
87.00866	3.8
89.02467	4.9
93.03469	5.2
95.01387	2.0
96.96030	8.0
97.02982	1.6
99.00896	2.1
99.04549	0.7
99.71912	0.7
101.02456	16.8
105.03481	1.1
107.38814	0.6
108.02184	1.7
109.02934	1.5
111.00922	0.8
113.02459	8.4
114.31978	0.7
116.92882	1.0
119.03515	1.9
120.01263	0.9
121.02966	7.8
121.53942	0.7
122.03756	16.2
123.04583	1.1
125.02487	1.6
131.03563	1.0
133.02962	2.2
134.03764	1.9
136.01688	1.9
137.02448	2.4
143.03571	1.2
147.04509	1.0
149.02463	31.7
149.03629	1.6
149.04405	1.5
150.03247	100.0
151.03586	4.8
153.01915	1.1
153.05560	1.0
160.04111	1.0
161.02469	1.1
161.04567	3.2
161.05974	1.0
162.03244	2.8
163.03979	1.1
164.04816	6.1
165.05588	83.1
166.05943	2.6
177.05605	2.1
179.03549	0.9
180.04312	5.6
191.01999	2.0
195.06638	32.1
210.20576	0.8
246.87032	0.7
285.11285	0.7
297.82672	0.7
299.09613	1.1
311.09235	2.1
312.09848	0.8
313.10938	2.6
325.10858	1.7
327.12454	0.9
329.10220	1.6
329.13910	0.9
341.10321	2.6
342.11160	0.9
343.11835	1.5
344.12552	1.9
345.13504	1.0
356.12668	2.8
357.13562	1.6
359.15106	3.0
371.15042	3.6
475.18167	0.9
477.18204	1.1
485.14618	2.0
488.17273	3.6
491.15613	1.4
500.16861	1.6
503.19724	5.9
506.18149	3.2
507.19800	0.9
515.19086	7.0
518.18146	2.4
519.19934	3.5
521.20740	6.5
533.20337	8.2
534.20709	1.4
545.16638	1.0
563.21423	19.5
564.21741	3.6
575.21332	17.8
576.21832	2.4
593.22668	1.0
651.24274	2.2
663.24609	14.3
664.24866	3.3
681.25714	29.9
682.25940	5.3
693.25043	0.9
699.26788	6.4
700.26819	1.0
711.27057	1.1
723.26685	1.7
729.27820	4.5
730.29291	0.9
741.27716	20.0
742.27753	4.5
747.28906	3.8
761.22363	1.0
771.29211	1.4
789.29980	23.7
790.30609	5.0
833.29358	2.3
834.30756	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.5047
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.5
61.98841	0.4
62.96404	0.8
71.01379	1.3
71.10176	0.8
78.95907	78.6
79.95724	0.7
80.96516	5.4
94.98086	0.6
96.96967	18.4
122.97585	1.5
124.97144	0.4
126.37677	0.4
127.07614	0.3
131.33221	0.4
131.80919	0.4
134.97574	0.5
134.98543	1.0
141.01979	0.4
152.99600	22.1
196.87085	0.4
223.00116	8.9
232.97635	0.4
241.01172	31.5
242.01573	1.1
255.23276	60.0
256.23569	4.7
259.02246	3.0
259.20831	0.6
261.28976	0.4
277.21704	38.3
278.22137	2.9
286.66110	0.4
297.03680	1.8
315.04810	1.2
338.56497	0.4
391.22519	7.3
413.20752	1.0
553.27716	6.1
554.28235	0.6
556.14496	0.4
571.29059	1.0
575.26263	1.3
672.75037	0.4
783.90820	0.4
831.50421	100.0
832.50677	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.8
63.02383	0.4
65.00325	0.5
67.01901	0.2
67.51228	0.3
68.99815	0.4
69.59992	1.9
69.60403	0.5
71.01393	2.0
72.99304	0.9
73.02957	0.5
81.03455	0.3
83.01389	0.9
83.05032	0.6
84.02152	0.3
85.02949	3.4
87.00881	1.1
87.04527	1.7
89.02463	0.6
93.03467	0.5
95.01398	0.7
96.96018	2.5
99.00880	1.2
103.00376	0.3
103.60879	0.3
107.01395	1.5
108.02197	1.1
109.02975	1.3
111.00926	0.3
113.02453	2.3
113.06131	0.3
115.00417	0.4
117.01942	0.3
121.02971	1.5
129.01927	0.6
134.03783	0.3
137.09676	0.4
147.04524	3.2
148.01672	0.6
149.02461	0.7
150.03255	3.1
151.00378	6.3
151.03923	0.4
152.00969	0.3
153.01982	0.4
157.01471	0.4
161.09773	0.4
163.00395	1.6
164.01114	0.3
164.04761	0.3
165.01956	0.3
165.05563	3.1
169.01402	0.6
173.00931	0.8
175.02441	0.7
178.99881	3.3
179.10829	0.4
187.03928	0.4
191.01955	0.3
195.13908	0.8
198.86862	0.3
199.04044	0.3
211.03993	0.6
212.55801	0.3
215.03415	0.3
216.04260	0.3
223.06171	0.3
226.02728	0.8
227.03516	1.7
228.04018	0.3
229.04999	0.6
231.02890	0.3
231.05070	0.6
237.14946	3.7
243.02989	5.1
244.03435	0.6
245.04507	0.9
249.06139	3.6
254.02214	1.1
255.02975	14.3
256.03305	1.2
267.07104	0.4
271.02448	31.5
272.02917	2.9
273.03955	0.9
281.14014	1.3
283.02478	0.8
299.02075	1.2
300.02750	68.7
301.03482	36.5
302.03864	3.7
351.97772	0.3
397.07404	0.4
397.11469	11.1
398.11710	1.1
433.07736	100.0
434.08090	11.1
617.22174	0.3
696.51093	0.3
785.50714	0.3
831.29694	5.1
832.30084	0.9
863.39270	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00601	0.2
59.01377	4.7
68.99825	0.5
71.01382	3.3
72.99310	1.4
73.02987	0.4
75.00874	1.3
83.01393	2.6
84.02168	2.7
85.02956	100.0
86.03284	2.1
87.00871	1.0
89.02442	0.6
96.96013	3.1
99.00906	0.2
101.02458	0.7
103.00394	1.4
111.00892	3.7
115.00391	0.8
121.02917	0.2
129.01955	8.2
130.02194	0.3
133.01439	0.3
145.01453	0.3
147.03012	13.8
148.03354	0.4
149.02441	1.7
152.88281	0.2
163.02544	0.2
164.04791	1.6
165.92451	0.2
173.00908	2.9
191.01984	62.6
192.02324	2.4
209.03024	11.9
210.03363	0.5
219.39655	0.2
223.04321	0.2
223.06281	1.8
237.29268	0.2
241.00200	0.3
285.55090	0.2
315.07596	1.9
373.11707	3.3
397.07755	1.4
415.08792	19.9
416.09100	2.2
445.13974	0.3
524.50116	0.2
582.95941	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.5
62.27356	0.1
69.85025	0.3
69.85443	0.5
71.01389	1.1
72.99307	0.2
73.02957	0.2
75.00876	0.2
77.68207	0.1
79.95741	2.3
80.96529	1.1
83.01380	0.2
85.02956	0.9
87.00875	0.2
89.02455	0.3
95.95242	1.3
96.96020	47.7
98.20561	0.2
99.00874	0.2
101.02460	0.6
109.03016	0.1
113.02466	0.4
119.03525	0.1
122.97594	0.6
125.02444	0.2
129.01913	0.1
137.02446	0.1
138.97078	1.8
141.95795	0.2
143.03564	0.1
150.97098	1.0
152.98686	0.2
164.98665	0.3
165.01915	0.2
165.05553	0.2
166.02715	0.4
168.98183	0.2
177.04111	0.2
180.98134	0.6
181.05043	0.9
191.01964	0.3
195.06636	0.3
198.99213	1.0
201.08664	0.1
205.12308	0.2
222.99216	0.1
225.00710	0.3
225.07663	0.3
241.00221	3.1
256.99753	0.2
259.01163	0.6
277.20807	0.1
281.45502	0.1
285.03128	0.2
379.10565	0.2
407.10474	0.1
417.15436	1.3
427.13046	0.1
441.10159	0.2
465.14325	100.0
466.14651	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	827.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.0
61.98849	0.4
65.00327	0.8
69.39158	3.6
71.01382	0.4
74.02454	0.7
81.32866	0.3
83.01408	0.6
85.02962	1.2
85.06592	0.5
96.96022	1.9
100.89660	0.3
103.59755	0.4
107.01401	1.3
108.02220	0.7
109.02971	1.1
113.02356	0.3
116.05059	0.3
120.82971	0.3
121.02952	1.2
121.27159	0.3
125.02460	0.6
131.07158	4.1
137.02440	0.6
139.22668	0.3
146.05592	0.3
148.01703	0.7
151.00392	8.0
161.47252	0.4
163.00401	1.3
166.02742	1.0
169.01476	0.9
169.74132	0.3
173.08226	2.0
175.03987	0.4
178.99902	4.5
181.05151	1.9
203.08247	0.8
211.02386	0.4
211.04121	0.5
226.02678	0.6
227.03470	1.6
243.02985	5.3
244.03603	0.7
245.04622	0.7
245.09273	2.2
254.02188	1.4
255.02963	16.6
256.03360	1.4
271.02426	32.7
272.02869	3.9
273.03983	0.7
282.06577	0.3
283.02353	0.8
299.02023	0.9
300.02756	74.0
301.03455	32.0
302.03867	2.0
328.12631	0.4
331.06717	0.6
342.53354	0.3
411.13235	1.3
417.15500	3.5
433.17157	0.7
447.09262	1.3
449.14566	0.4
537.19196	1.5
609.14746	100.0
610.15088	17.2
610.25281	0.7
700.73596	0.4
715.91046	0.4
771.01526	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.7
61.98831	1.5
62.15790	0.1
69.40739	0.6
69.41168	0.7
71.01389	1.3
72.99327	0.2
73.02958	0.8
75.00879	0.5
79.95766	0.3
83.01379	0.2
85.02956	0.6
87.00891	0.4
89.02467	0.4
89.49565	0.1
96.80161	0.1
96.96027	2.5
98.19915	0.3
99.00909	0.2
101.02473	0.7
108.02189	0.2
111.00867	0.2
113.02496	0.3
115.00391	0.3
119.05051	0.2
120.01258	0.1
121.02972	0.7
121.06617	0.2
122.03796	0.4
125.02496	0.1
129.02016	0.1
134.03780	0.4
143.03474	0.2
147.04544	1.1
148.05324	92.2
149.05621	4.3
150.03296	0.2
151.04036	0.1
161.04582	0.1
163.07668	100.0
164.07990	5.6
175.02481	0.5
175.03954	0.2
176.04878	0.2
188.04771	0.7
191.02055	0.2
191.07153	0.3
203.05583	0.4
203.07188	0.4
206.05812	0.5
207.13864	0.2
221.08232	1.3
235.06049	0.3
263.09134	0.2
267.07544	0.2
287.90329	0.1
349.16849	0.1
367.14001	1.2
582.21851	0.1
615.24792	0.1
647.26831	0.2
675.25800	0.2
792.27405	0.2
793.85010	0.2
823.26288	0.5
824.25336	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02953	1.3
59.01377	10.8
61.98830	11.0
66.03485	1.5
71.01379	3.7
71.02497	2.6
71.73243	1.6
71.73611	1.9
72.00899	6.7
73.04070	4.5
74.02463	3.8
77.60182	1.3
79.54330	1.3
79.95731	1.8
80.96539	2.4
84.00887	1.3
85.02961	3.3
87.00844	1.7
89.02448	1.6
93.03466	18.1
96.96021	11.8
99.02016	16.3
99.33701	1.3
101.02457	2.6
106.04257	2.8
106.29506	1.4
107.05047	5.6
111.02029	1.9
111.05607	1.7
117.03442	2.5
119.05038	46.2
120.05354	2.3
121.02926	1.6
127.08745	3.0
129.10329	5.1
130.08749	4.7
131.03786	12.8
133.05307	1.5
134.06155	9.7
136.07689	3.5
137.03596	2.4
139.08781	1.3
145.02965	1.8
153.06717	16.1
154.06985	1.6
154.08765	5.6
155.08289	4.1
157.05309	2.4
158.06129	1.6
162.05637	4.4
163.04016	14.8
169.09862	1.6
174.01724	1.4
174.05589	1.4
176.07191	1.4
179.08266	1.9
180.06673	55.2
181.06969	2.8
186.12469	5.3
188.21686	1.5
191.08205	3.0
193.09854	4.1
205.09999	1.5
207.11378	1.6
211.13515	1.9
214.05151	1.7
214.12479	3.0
219.07779	3.9
222.12537	1.8
223.14514	3.5
240.17163	3.8
258.11343	13.8
263.13986	4.6
282.11365	14.0
283.11606	2.5
297.19247	2.2
299.13959	2.3
306.18094	2.4
332.16464	1.3
354.84619	1.4
357.52808	1.2
392.72342	1.5
403.20020	2.0
417.25034	4.5
558.29456	4.1
593.25665	1.7
601.32544	1.6
662.32111	8.4
663.31873	1.7
773.37183	4.0
816.50757	2.1
817.41632	100.0
818.41895	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.9
59.01380	16.5
61.98833	5.8
64.92188	0.4
65.14120	0.4
68.64040	0.5
69.03462	0.5
70.86981	0.5
70.88491	1.2
70.88828	0.7
71.01399	4.4
72.99319	0.6
73.02961	1.4
75.00856	0.8
77.87914	0.5
79.95754	1.4
80.96519	0.6
83.01358	0.6
85.02964	2.4
87.00858	0.6
89.02428	2.4
95.01407	0.6
96.96021	16.8
101.02460	2.4
106.06629	2.3
108.04565	1.4
113.02484	2.5
131.03508	0.6
132.04570	0.6
134.06152	0.9
138.97078	1.4
143.03410	0.6
147.04565	1.2
149.04538	0.5
158.06100	0.6
160.04074	10.0
161.04535	1.4
171.10272	1.8
175.02554	0.6
187.08772	8.9
188.03468	1.0
189.04289	1.5
191.02034	0.7
197.60947	0.5
198.99219	0.9
202.05124	1.1
211.05130	0.7
211.13361	1.0
212.05963	2.5
213.06648	1.7
218.04630	0.8
223.08820	0.7
225.06540	0.5
225.10262	1.1
226.07306	0.6
227.08250	0.6
237.10326	0.7
239.08224	2.8
241.00299	0.6
241.09821	9.8
247.13409	1.3
248.09444	0.7
249.10260	3.5
250.07332	0.9
251.08243	5.9
251.11848	2.7
252.09035	17.8
252.11627	1.2
253.09796	14.0
254.10291	2.0
257.12918	6.0
263.08270	2.5
264.08716	1.0
265.05978	0.6
265.06885	0.8
265.09750	6.5
266.10516	1.5
267.08139	0.8
267.11383	14.0
268.11758	1.0
276.08972	0.9
277.09811	6.4
278.06949	5.1
279.07733	17.1
280.08374	2.9
292.08533	0.9
293.09286	13.4
294.10016	1.7
295.10886	30.7
296.11191	2.1
311.10187	0.6
321.08813	57.6
322.09140	6.4
339.09863	44.3
339.14133	0.7
340.10147	4.9
363.10492	0.6
397.13538	1.3
401.23383	0.7
420.15530	1.2
436.18790	1.8
515.15118	0.5
547.16144	0.5
553.30432	1.8
561.17981	1.0
563.19287	1.3
571.89154	0.6
589.17249	3.4
590.17975	0.6
605.20825	0.6
606.21106	0.6
607.18335	9.5
608.18951	2.1
623.21564	2.9
624.21759	0.6
731.35474	1.1
773.36798	4.0
785.27026	100.0
786.27283	28.7
799.37213	0.7
817.36163	4.0
818.30341	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.5008
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.4
58.65229	0.3
59.01377	2.2
63.96242	2.2
69.03481	0.8
69.85299	2.0
71.01386	10.1
72.99338	0.3
73.02959	2.5
77.94096	0.3
78.95910	0.9
78.98138	0.4
78.98596	8.7
79.95737	16.1
80.96522	100.0
81.03461	0.7
81.96443	0.4
83.01373	0.4
85.02959	4.4
87.00891	3.9
94.98096	22.9
95.01382	0.3
96.96007	1.9
97.02966	2.5
98.20564	0.3
99.00874	0.8
99.04509	0.5
101.02458	3.2
106.98110	4.3
122.97607	4.7
125.02464	4.2
127.04031	1.1
134.97606	5.9
136.99168	1.5
146.97618	0.4
148.99173	8.4
152.98656	7.1
164.98642	14.9
167.00264	0.4
177.84911	0.3
179.00275	0.6
188.98691	0.7
206.99754	3.0
215.51817	0.3
217.00383	0.4
225.00739	21.0
226.01001	0.7
241.01160	0.4
255.23302	2.5
256.23682	0.3
277.21722	1.1
277.76700	0.3
283.04810	0.4
322.91830	0.4
344.76886	0.3
348.66211	0.3
477.87131	0.4
478.87027	0.5
480.10709	0.4
537.27155	1.3
559.26111	2.0
587.12927	0.3
685.01355	0.3
815.50006	84.3
816.50311	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	807.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99825	0.4
57.03447	2.0
58.00591	5.9
59.01379	100.0
60.01702	1.3
61.98837	5.1
69.03451	0.6
70.74886	1.0
71.01386	76.1
72.01732	0.7
72.99312	7.0
73.02948	1.8
75.00867	0.8
79.95747	0.8
83.01399	2.2
85.02959	15.0
87.00880	6.1
89.02451	96.3
90.02795	1.5
93.03497	0.5
95.01405	5.3
96.96024	11.0
97.02995	0.5
98.59048	0.4
98.95619	0.7
99.00894	1.0
101.02455	33.4
102.02814	0.7
107.03542	0.5
110.39737	0.4
113.02464	30.6
114.02808	0.6
115.00350	0.5
115.03976	0.4
119.03518	32.7
120.03894	0.4
122.06098	0.4
123.04512	0.5
125.02473	1.2
128.98515	0.3
131.03528	4.2
134.03810	0.5
137.02426	0.4
138.97166	0.4
143.03523	9.0
147.03075	0.4
148.01697	0.4
149.02483	2.9
149.04553	3.7
150.03268	2.0
151.03955	0.4
160.04080	0.8
161.02490	0.4
161.04575	11.3
162.03293	0.8
162.04852	0.4
164.04793	1.5
165.01891	0.5
165.05560	2.2
166.02695	0.3
174.03224	0.6
175.02493	0.6
175.03970	0.3
177.04129	0.4
177.05609	0.7
179.05623	42.8
180.04295	0.5
180.05980	1.4
181.05144	0.5
189.05595	0.8
191.01973	0.7
195.06604	1.7
199.47360	0.3
207.06680	0.6
219.06564	0.4
220.31990	0.3
237.07826	0.3
283.10104	0.3
286.08615	0.4
289.11166	2.5
327.12323	0.7
328.13165	1.2
329.10437	0.5
341.10229	1.0
343.15540	0.5
344.12686	1.2
356.12704	0.7
359.15015	3.2
371.15182	2.7
389.16187	0.6
492.17743	0.6
507.20251	1.4
537.21228	16.8
538.21600	3.6
567.22369	2.8
568.22253	0.6
673.25586	0.8
674.24615	0.4
807.34601	1.4
808.35699	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	8.7
58.00608	1.1
59.01377	34.5
60.01712	1.3
61.75496	0.8
61.98825	11.4
68.99828	2.0
69.03456	7.5
70.60078	1.8
70.60474	2.2
71.01383	34.1
71.01775	1.9
72.99309	11.9
73.02952	6.3
75.00883	23.8
77.73479	0.8
79.95731	6.4
81.24253	0.8
83.01413	3.1
83.05056	1.6
85.02958	32.9
86.03303	1.0
87.00877	13.9
89.02451	7.7
93.03477	2.4
95.01397	8.0
95.05103	0.9
95.95210	2.1
96.96021	71.4
98.95619	2.1
99.00892	18.4
99.04512	1.6
101.02454	6.0
103.00404	4.5
109.02962	1.1
110.67636	0.8
110.97605	3.9
111.00904	3.1
111.04534	1.2
113.02463	25.4
115.00395	5.7
116.92883	2.2
117.01980	4.2
119.05058	2.3
120.01287	1.5
121.02971	5.7
122.03783	8.0
122.06169	2.4
123.04573	5.3
125.02413	1.3
127.04063	1.7
129.01984	3.6
131.03519	2.2
134.03780	3.3
135.04553	3.6
136.01717	1.4
136.05347	5.8
137.02513	1.3
139.00462	1.5
139.11311	9.9
143.03551	1.0
145.03052	1.6
146.03731	0.9
147.02995	0.9
147.04565	1.1
148.07828	1.0
149.02441	14.6
149.03453	1.2
149.06122	3.0
150.03242	50.1
151.04027	10.2
157.01456	1.5
160.01689	1.1
160.04111	1.0
161.02443	1.6
161.04645	1.2
161.06070	0.9
163.04086	2.4
164.04781	4.9
165.01894	1.1
165.04195	1.8
165.05588	37.0
165.09319	0.9
166.05928	2.4
175.02527	7.3
175.03978	1.9
177.05557	2.3
179.03543	0.9
179.07201	2.4
180.04347	4.3
181.05101	3.3
183.10291	10.2
190.02773	2.7
191.01997	1.3
191.03569	1.1
193.03580	1.0
193.05151	1.5
195.06648	20.2
196.07057	1.5
205.05096	2.1
205.06972	1.0
214.00618	0.9
214.10641	1.3
231.05103	1.4
240.12355	1.1
241.00328	1.0
247.26479	0.9
249.06111	11.6
267.07254	4.8
283.10831	3.1
285.12512	2.6
286.12851	2.6
287.13373	1.4
292.11554	1.0
309.09650	1.7
311.09384	2.2
343.11765	6.6
414.17300	1.0
433.17078	9.2
434.17548	1.3
467.15286	0.9
477.30127	1.3
539.17993	3.1
598.23932	1.5
599.24646	3.8
609.22406	1.2
610.22882	4.1
611.23431	1.5
623.21234	1.1
629.26721	1.8
630.26770	2.8
631.26849	10.4
641.21222	1.8
727.37927	1.4
728.39215	1.1
748.36279	1.9
763.34216	14.5
764.35547	3.0
775.28558	5.2
776.28784	1.0
789.29968	5.9
790.30402	1.8
807.31653	100.0
808.31976	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.9
57.38042	0.3
58.00586	1.3
59.01379	23.6
59.70153	0.2
60.01719	1.3
61.01798	0.7
61.98828	4.2
69.03459	0.7
71.01385	19.1
71.73964	0.3
72.01714	1.7
72.99306	2.1
73.01808	0.3
73.02948	1.2
75.00883	0.8
79.95745	8.7
80.96536	0.6
81.03468	0.2
83.01386	1.0
85.02956	7.6
86.03303	0.4
87.00880	1.8
88.98825	0.3
89.02449	21.2
90.02779	1.7
90.03297	0.2
90.12217	0.3
90.50552	0.2
91.02876	1.1
95.01381	1.5
95.95237	0.9
96.96021	100.0
97.96006	0.4
98.95648	0.4
99.00912	0.7
101.01793	0.5
101.02456	8.2
102.02800	1.2
106.06733	0.2
109.02971	0.3
110.97591	4.5
111.00869	0.4
113.02465	7.0
114.02778	0.8
115.00346	0.3
116.92831	0.3
119.03529	7.2
120.01315	0.3
120.03835	0.8
121.02987	0.5
121.03894	0.4
122.06140	0.3
129.01970	0.6
131.03508	0.7
133.02959	0.3
133.22108	0.2
134.03778	0.5
135.04478	0.5
136.01727	0.3
137.02507	0.6
138.97028	0.3
143.03513	1.4
144.03893	0.3
147.02992	0.5
149.02463	1.1
149.04562	0.6
149.06033	0.3
149.27155	0.2
150.03227	1.0
150.05652	0.3
151.00340	0.5
151.03981	0.9
161.02464	0.3
161.04536	1.6
163.03983	0.4
164.04765	0.7
165.01930	0.4
165.05574	1.0
166.02658	1.0
167.03441	0.3
175.00336	0.8
175.02486	0.3
176.01102	0.5
177.01811	0.6
179.03423	0.5
179.05626	4.7
179.07152	0.5
180.04335	0.5
180.05957	0.6
181.05025	0.9
183.10245	0.3
190.02722	2.7
191.01956	1.7
191.03485	0.5
192.04260	0.4
193.04984	0.4
195.06602	0.9
205.05083	4.0
206.05618	0.3
207.06653	0.6
223.06015	1.3
241.00240	0.8
257.13293	0.3
267.07104	0.4
267.11392	0.3
269.08228	0.5
269.11713	0.4
283.09949	1.0
285.11172	0.5
298.08383	1.0
299.09134	0.5
301.03635	0.3
311.09323	0.5
313.07553	0.3
313.10806	1.9
314.11456	0.9
326.11658	0.3
328.13174	2.1
329.13873	1.5
341.13885	0.7
343.12006	0.3
367.10788	0.4
416.14615	0.5
417.15173	0.8
439.10623	0.5
439.16068	0.5
577.32336	0.5
596.22534	0.3
597.23114	0.6
601.15967	0.8
630.26605	0.3
683.30896	0.6
727.27087	0.9
732.22943	0.3
749.49573	0.3
759.26935	0.3
763.34381	1.8
807.21667	27.6
808.21881	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	806.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24726	0.1
59.06665	0.1
60.99121	0.1
61.98832	100.0
62.98532	0.3
63.99262	0.3
69.85696	0.2
69.86104	0.4
71.01414	0.1
78.95934	0.1
79.95757	0.1
80.96519	0.5
87.00921	0.1
90.13653	0.1
93.03505	0.1
94.98095	0.2
99.00888	0.1
115.00424	0.2
119.05056	0.1
133.06644	0.4
139.00410	0.3
145.02946	0.1
157.01450	0.1
165.01967	0.1
175.02557	0.1
177.05547	0.1
183.01205	0.4
183.94444	0.1
187.04089	0.1
187.35983	0.1
194.16208	0.1
211.98958	0.1
215.07143	0.1
221.04654	0.1
259.06058	0.1
261.04077	0.1
273.23431	0.1
287.07288	0.1
303.05203	0.4
304.05457	0.1
306.18317	0.1
308.46964	0.1
311.16855	1.6
341.64224	0.1
440.93585	0.1
496.08276	0.1
643.31268	0.1
725.32013	1.4
726.33252	0.3
806.41870	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.9
58.00597	5.4
59.01379	94.4
60.01722	1.2
61.98830	1.7
69.03490	0.3
69.03985	0.3
69.18718	0.3
70.04504	1.7
71.01385	76.7
72.01720	0.9
72.99316	7.8
73.02958	1.5
75.00874	0.9
79.95746	1.0
83.01397	2.7
84.02159	0.4
85.02961	13.5
86.03299	0.4
87.00888	4.6
89.02451	100.0
90.02770	1.0
95.01392	6.1
96.01743	0.4
96.96015	6.9
97.02946	0.5
98.20260	1.0
98.95571	0.4
99.00894	0.7
99.04542	0.4
101.02456	33.2
102.02804	0.6
103.00401	0.5
109.02946	0.5
111.00835	0.3
113.02463	29.7
114.02776	0.9
115.00392	0.6
119.03519	33.4
120.01262	0.5
120.03842	1.0
125.02435	0.8
126.63045	0.3
131.02550	0.3
131.03506	4.6
133.01440	0.5
136.01689	0.4
136.07718	0.3
137.02440	1.2
138.03226	0.3
139.00369	0.4
143.03525	6.9
149.02448	0.3
149.04576	3.8
150.03189	0.6
151.00360	1.1
151.04024	1.0
151.23596	0.3
153.01936	0.6
153.05582	1.1
160.03993	0.6
161.02411	1.0
161.04573	6.9
165.01915	0.6
165.05525	0.7
166.02731	3.1
167.03410	0.4
168.04289	0.7
175.02487	1.0
176.01134	1.7
177.01846	1.3
178.02570	0.4
179.03529	1.3
179.05623	22.8
180.05902	0.7
181.05099	3.0
183.86638	0.3
190.02669	0.3
191.01950	0.7
191.03471	1.3
192.04265	2.6
193.05093	0.8
194.05746	1.0
195.06564	0.5
205.04936	1.0
207.06651	3.2
209.08263	1.5
219.06496	0.4
223.05989	1.2
237.07455	0.3
241.00208	0.5
271.02438	0.5
300.02689	0.4
375.02420	0.3
402.12677	0.7
416.14798	5.5
417.15152	1.3
447.09375	0.3
463.48642	0.3
595.21875	2.6
596.21545	0.4
597.23065	0.5
629.25714	1.8
687.26581	0.3
761.31195	0.8
805.32440	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	803.3145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	3.5
58.00572	2.0
59.01100	1.8
59.01376	31.9
61.98832	29.8
65.00321	1.8
69.03439	2.9
71.01383	19.6
71.72902	1.7
72.99300	4.4
73.02946	4.4
75.00868	3.0
83.01379	3.5
85.02956	13.7
87.00860	5.7
87.04502	2.0
89.02450	8.4
93.03481	2.8
95.01378	3.1
96.96027	18.7
99.00859	3.2
99.58785	1.5
101.02467	9.7
109.02943	6.0
111.00863	1.6
113.02446	7.2
116.92847	2.0
117.60474	1.5
120.01234	1.7
121.02934	5.7
121.06653	1.5
125.02432	2.9
129.01945	2.3
131.03485	1.8
143.03519	1.7
145.02972	2.9
145.92009	1.3
147.04517	2.6
148.01619	3.4
150.03134	2.2
151.03981	2.5
158.76419	1.7
161.04512	1.9
165.01921	1.8
165.05530	2.2
170.40862	1.6
183.10237	2.8
189.01735	1.7
191.01852	2.0
209.11926	1.7
211.13295	2.2
241.00148	2.2
249.05939	1.6
271.02362	6.9
285.11206	2.4
300.02737	1.7
311.05389	2.8
435.14377	7.5
436.14902	3.5
495.20093	2.4
507.21948	5.2
627.24310	1.9
628.25397	2.0
656.25189	16.2
657.25555	18.5
658.25513	2.2
713.24750	1.6
803.31110	100.0
804.32092	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	13.3
58.00594	1.7
59.01378	53.9
61.98839	1.6
65.00307	1.4
67.01889	2.2
68.99808	7.1
69.03461	4.1
69.05834	1.1
71.01386	66.8
71.73077	1.7
72.01710	1.2
72.78932	1.1
72.99311	13.6
73.02954	4.7
75.00876	29.9
78.55946	1.1
79.95717	2.2
81.03442	1.5
83.01401	6.0
84.02176	2.7
85.02960	83.7
86.03320	1.1
87.00884	30.3
89.02451	21.1
91.04002	1.1
93.03455	3.4
95.01402	11.9
96.96023	17.6
98.95592	3.1
99.00883	18.8
99.04561	1.2
101.02463	10.1
103.00388	8.9
107.01379	1.6
108.02192	1.4
109.02988	2.2
111.00899	7.9
112.01684	1.5
113.02464	52.9
114.02808	1.2
115.00382	5.0
117.01952	5.3
117.03486	1.4
119.03503	2.3
119.05010	3.1
121.02993	5.9
123.04535	1.5
125.02446	1.8
127.00394	1.2
129.01956	13.9
131.03511	2.1
133.01460	2.0
133.02969	2.6
134.03764	8.9
135.04581	6.8
136.05281	4.3
139.00409	1.3
143.03484	1.5
145.02982	15.6
146.03754	4.0
147.03001	3.6
147.04541	1.9
149.02481	6.1
149.04968	1.3
149.06108	8.6
150.03255	11.6
151.00365	4.8
151.03896	2.0
151.07576	1.2
157.01443	1.1
161.02487	3.4
161.06097	2.8
162.03217	3.8
163.03986	3.6
164.04753	3.4
164.38991	1.0
165.05551	3.9
173.00989	2.5
175.02477	5.8
175.03906	2.1
177.05550	3.6
178.99928	1.6
179.03563	1.8
179.05714	1.0
179.07129	1.6
180.04311	1.7
181.05061	2.2
191.01994	25.1
191.03648	2.2
193.05031	3.8
194.05852	1.7
195.06612	15.1
202.19499	1.0
205.03496	1.8
206.08305	1.4
207.05122	1.7
209.03047	27.6
209.08202	2.9
210.03331	1.6
223.04587	3.2
231.05124	2.3
239.07019	2.4
241.00192	1.5
249.06142	36.4
250.06436	1.3
251.38687	1.1
254.09550	2.1
255.02994	1.1
267.07184	96.6
268.07532	4.3
269.11920	1.4
271.02444	2.3
283.09753	2.1
300.02753	4.3
301.03531	2.7
302.49777	1.1
311.09222	6.4
341.09949	3.1
343.11832	14.8
344.12213	1.2
355.12070	3.5
363.07498	1.9
373.12888	4.4
394.98422	1.3
415.12357	2.6
444.12711	88.3
445.13135	9.6
447.09464	7.5
448.09323	1.5
449.16550	2.8
465.14273	2.9
468.32483	1.3
476.11581	6.1
593.19043	16.0
594.19202	3.3
605.18524	4.4
611.14783	1.2
623.19952	76.9
624.20123	15.2
673.22980	1.2
759.25677	1.3
803.26422	100.0
804.26691	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13840	0.2
57.03452	0.9
59.01380	100.0
60.01720	1.0
60.54552	0.2
61.98830	4.0
69.03463	0.6
71.01387	13.8
71.04903	0.6
72.99323	1.0
73.02950	3.6
75.00901	0.8
83.01402	2.0
83.05029	0.2
85.02443	0.5
85.02960	7.3
86.00128	0.3
87.00896	0.9
89.02457	4.7
93.03495	0.3
95.01397	1.9
96.96015	1.7
97.02979	0.6
99.00895	1.7
101.02454	7.2
101.03083	0.4
112.01716	0.4
113.02466	9.6
113.03252	0.5
115.04010	0.3
116.92892	0.2
119.03513	1.3
121.02996	0.3
124.01704	0.5
125.02483	1.9
131.03572	0.5
143.03560	1.3
145.01273	0.3
145.03065	0.5
149.04582	0.3
159.03094	0.4
161.04576	3.1
165.05615	0.5
175.02576	0.3
179.05812	0.3
185.80376	0.2
212.90245	0.2
366.02921	0.2
449.29257	0.7
503.11865	0.3
563.33142	0.5
575.32336	0.4
593.33356	14.5
594.33862	2.5
611.34509	21.9
612.34857	4.5
629.35510	5.1
629.44958	0.3
630.36292	1.0
653.35480	11.3
654.35742	2.4
671.36560	10.4
672.36969	2.5
713.37726	1.6
714.38647	0.6
771.35052	0.5
771.85382	0.3
801.29938	0.4
802.39264	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.5
58.79985	0.6
59.01379	21.6
60.49202	0.6
61.98811	0.7
69.03487	0.7
70.88168	1.2
70.88506	0.7
71.01388	6.1
72.99285	0.5
73.02958	2.8
73.19122	0.5
75.00861	0.7
79.95748	10.8
80.96518	5.2
83.01392	1.2
85.02962	8.8
87.00886	1.0
95.01425	0.9
95.95262	1.2
96.96021	100.0
98.95614	0.7
101.02462	2.8
103.00386	5.2
111.00895	0.9
113.02451	3.3
125.02443	1.0
134.03682	0.7
138.97113	0.8
147.02965	0.9
150.04922	0.5
150.97044	0.8
161.04524	0.9
163.04048	0.6
164.98662	7.2
179.05618	0.7
180.98088	1.0
181.05057	0.6
191.01988	2.6
237.14876	1.2
241.00175	2.6
267.07190	0.9
271.02274	0.9
293.71045	0.6
316.02151	0.8
337.05417	1.1
347.49710	0.6
451.16296	0.7
453.17944	11.2
454.18256	1.0
455.17554	0.9
463.08698	1.4
493.17856	0.9
513.23145	1.0
531.24310	1.6
573.25464	2.2
591.26440	2.1
629.21558	1.2
633.27448	2.0
653.20880	1.7
671.22418	10.6
672.22510	1.7
680.25934	0.8
713.23486	13.0
714.23871	2.4
715.21271	4.4
716.22083	1.1
757.22662	15.8
758.21967	3.3
783.20508	0.8
801.21429	25.1
802.21198	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	801.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	13.1
58.03776	0.3
59.01378	7.4
68.99814	0.9
71.01387	7.6
71.72535	0.3
72.99313	2.0
73.02943	0.9
75.00875	2.7
79.95734	0.3
80.96538	0.4
83.01392	3.7
83.05038	0.6
84.02171	3.5
85.02959	100.0
86.03305	2.4
87.00868	1.6
89.02457	2.1
96.96026	9.3
99.00928	0.6
101.02446	1.6
103.00391	1.8
111.00888	5.9
112.01215	0.3
113.02402	0.4
115.00376	0.9
119.05058	0.5
120.01244	0.4
125.02438	0.4
129.01958	8.9
130.02283	0.5
133.01459	2.2
134.03760	2.8
135.08147	0.4
135.74890	0.3
145.01422	0.5
147.03021	13.8
149.02455	1.2
151.11319	0.4
155.68880	0.3
163.04018	0.5
164.04811	0.8
169.12367	0.8
173.00935	2.8
178.02731	0.3
191.01988	65.4
192.02322	2.9
193.05089	1.6
195.12090	0.6
195.13904	11.3
196.14188	0.8
205.03589	1.6
206.03822	0.3
209.03033	53.0
210.03360	1.7
213.15308	0.3
223.04453	1.8
241.00140	0.9
255.16112	0.9
299.14917	1.8
367.06717	0.7
385.07703	14.2
385.11880	11.1
386.08084	1.2
386.12198	1.1
397.07391	0.4
399.09503	0.6
406.80145	0.3
415.08679	4.0
416.09296	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	13.2
58.00604	0.3
59.01376	6.5
60.65067	0.2
68.99818	1.1
70.16191	1.5
71.01389	5.7
72.99316	1.8
73.02954	0.8
74.38237	0.3
75.00889	2.0
81.48721	0.3
83.01385	2.4
84.02172	2.6
85.02959	100.0
86.03307	2.4
87.00874	1.1
89.02450	2.1
91.13742	0.2
96.96026	4.2
98.20016	0.3
98.20513	0.4
98.95606	0.4
99.00916	0.4
101.02473	1.1
103.00377	1.4
111.00890	4.4
115.00388	1.3
119.04986	0.3
129.01958	8.4
130.02257	0.3
133.01476	1.9
134.03746	1.6
138.96979	0.3
141.35956	0.2
145.01469	0.3
147.03014	13.4
148.03331	0.4
149.02469	1.8
153.82790	0.3
164.04788	0.8
173.00940	2.3
191.01991	63.4
192.02322	1.8
193.05103	0.7
193.12375	0.6
195.13918	0.5
209.03043	49.5
210.03372	2.0
223.04333	0.6
223.06326	0.5
241.00252	0.4
349.05872	1.7
367.06619	0.6
376.24600	0.3
385.07764	7.6
385.12454	0.5
386.08105	0.8
397.07990	0.7
415.08649	9.4
416.09149	1.1
429.14429	2.2
430.14844	0.5
431.14301	0.6
557.08752	0.3
617.96863	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	13.1
58.03776	0.3
59.01378	7.4
68.99814	0.9
71.01387	7.6
71.72535	0.3
72.99313	2.0
73.02943	0.9
75.00875	2.7
79.95734	0.3
80.96538	0.4
83.01392	3.7
83.05038	0.6
84.02171	3.5
85.02959	100.0
86.03305	2.4
87.00868	1.6
89.02457	2.1
96.96026	9.3
99.00928	0.6
101.02446	1.6
103.00391	1.8
111.00888	5.9
112.01215	0.3
113.02402	0.4
115.00376	0.9
119.05058	0.5
120.01244	0.4
125.02438	0.4
129.01958	8.9
130.02283	0.5
133.01459	2.2
134.03760	2.8
135.08147	0.4
135.74890	0.3
145.01422	0.5
147.03021	13.8
149.02455	1.2
151.11319	0.4
155.68880	0.3
163.04018	0.5
164.04811	0.8
169.12367	0.8
173.00935	2.8
178.02731	0.3
191.01988	65.4
192.02322	2.9
193.05089	1.6
195.12090	0.6
195.13904	11.3
196.14188	0.8
205.03589	1.6
206.03822	0.3
209.03033	53.0
210.03360	1.7
213.15308	0.3
223.04453	1.8
241.00140	0.9
255.16112	0.9
299.14917	1.8
367.06717	0.7
385.07703	14.2
385.11880	11.1
386.08084	1.2
386.12198	1.1
397.07391	0.4
399.09503	0.6
406.80145	0.3
415.08679	4.0
416.09296	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	14.0
58.00580	0.4
58.03778	0.4
59.01377	6.8
60.01713	0.3
61.92589	0.2
68.99821	1.1
69.93026	1.2
69.93439	0.4
71.01385	4.9
72.99314	1.7
73.02946	0.5
75.00884	1.8
83.01391	2.5
84.01705	0.4
84.02174	3.1
85.02958	100.0
86.03284	2.4
87.00877	1.0
89.02445	1.6
96.05109	0.2
96.96031	1.6
97.19905	0.2
98.19987	0.5
99.00903	0.5
101.02477	0.9
103.00384	1.7
111.00891	4.2
115.00376	1.2
129.01959	9.3
129.39378	0.2
130.02258	0.5
133.01440	1.5
134.03745	1.7
144.96109	0.2
147.03015	12.7
148.03351	0.3
149.02431	0.8
155.10782	0.3
164.04785	0.4
173.00917	2.1
174.01501	0.2
191.01988	65.6
192.02338	2.7
193.05003	0.7
193.12373	0.3
195.13982	0.4
205.03445	0.3
209.03032	44.6
210.03409	1.9
213.14963	2.4
223.06233	0.5
241.00151	0.3
263.94830	0.3
293.62961	0.3
299.15067	0.6
367.06741	1.0
385.07730	13.4
386.08136	1.3
397.07843	0.3
415.08749	7.3
415.14105	0.4
416.08994	1.0
445.14246	0.5
484.74890	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	4.6
57.60368	0.7
59.01377	9.8
67.01913	0.7
67.05528	1.2
67.44467	0.5
68.99821	2.4
69.03460	3.3
71.01385	12.3
71.72894	0.9
72.99320	3.1
73.02933	1.7
75.00877	11.3
78.95891	2.2
79.95732	0.6
80.96490	0.7
83.01395	2.6
84.04556	0.6
85.02963	27.4
87.00887	5.8
89.02454	3.2
91.04032	0.9
95.01395	3.8
95.05027	2.2
96.96023	13.9
96.96654	0.7
96.96975	2.8
97.01707	0.8
99.00887	6.1
99.04493	0.8
101.02462	1.4
103.00381	1.8
107.03729	0.8
108.04565	0.7
109.02975	0.8
110.06136	17.5
111.00876	4.0
111.04536	19.5
111.06495	0.7
112.04843	1.1
113.01713	1.1
113.02467	17.0
115.00374	2.9
116.05082	4.5
117.01945	1.9
118.06612	2.4
120.24963	0.6
121.02931	0.8
122.06140	28.1
123.06482	1.0
124.11628	0.8
125.09731	2.7
125.58830	0.6
129.01953	5.3
134.03763	1.8
134.06110	0.7
139.00327	0.7
144.03516	1.3
144.04572	19.3
146.06076	1.2
147.03178	1.4
149.02513	0.9
162.04289	1.2
162.05618	21.2
163.06076	1.3
169.08716	2.1
175.02470	5.5
181.08740	6.9
188.03548	2.9
189.04158	1.0
191.02019	3.5
191.03633	0.7
193.05005	1.0
195.05319	1.9
199.09743	2.9
205.03502	4.8
209.02940	1.6
223.04585	13.4
231.05106	2.5
241.00279	1.2
249.06140	32.1
250.06517	2.1
255.11394	5.9
267.07184	11.4
267.11377	12.1
268.07578	1.0
268.11679	1.1
273.12469	3.6
285.12442	30.0
286.12781	2.8
295.10870	0.9
303.13501	12.1
304.13718	1.0
341.09097	7.4
342.09366	0.8
347.12515	23.7
348.12717	2.4
360.10602	0.8
361.09515	5.0
397.07336	0.8
397.11942	1.5
399.09537	1.2
419.15588	8.0
420.16187	0.9
429.14337	1.6
431.15582	48.6
432.15753	5.2
449.16632	100.0
450.17007	12.1
455.09836	2.9
467.15854	4.0
621.19891	1.0
635.47449	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.456
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	28.2
58.03799	0.5
59.01379	6.1
61.98830	0.6
71.01384	0.9
77.83292	0.2
80.96534	0.2
81.03475	1.9
83.01379	0.3
85.02966	0.3
85.06616	0.4
88.98818	0.2
96.96004	0.4
98.20658	0.5
99.04530	36.5
100.04861	1.0
101.02457	8.4
113.02451	0.3
116.92877	2.6
125.02463	37.1
126.02805	1.3
143.03513	1.5
161.04541	0.4
161.11346	0.2
174.14955	0.2
190.86713	0.2
203.05550	0.2
215.33018	0.2
229.53946	0.3
261.32199	0.2
305.08780	1.8
317.28506	0.5
347.25647	1.0
389.34586	0.9
433.33228	1.4
445.33072	0.4
489.35831	100.0
490.36191	18.4
531.36847	4.0
532.37286	0.8
571.40485	1.2
633.40576	1.3
634.40503	0.3
651.41278	2.2
652.41571	0.6
693.42474	0.8
730.96368	0.2
733.45264	0.6
751.46655	4.0
752.47131	1.0
778.68646	0.2
795.45551	9.9
796.45813	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	793.298
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58182	0.1
56.72792	0.1
59.01374	0.3
61.98824	0.5
71.01373	0.2
71.73045	0.1
73.02949	6.1
74.03306	0.1
75.00869	0.2
88.98844	0.1
89.02370	0.1
99.00880	1.1
99.10439	0.1
99.92593	9.5
100.92607	0.5
100.93242	0.1
107.20752	0.1
114.87501	0.1
114.93446	0.4
115.00435	0.4
115.99889	0.1
116.03585	0.1
116.07079	0.1
116.92874	100.0
116.97176	0.7
117.01946	11.4
117.05613	0.2
117.92883	5.2
118.02280	0.1
254.04669	0.1
277.21753	0.2
397.13580	0.2
437.75903	0.1
545.86646	0.1
590.04529	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	793.517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.5
61.98827	8.4
62.36493	2.3
69.48630	2.5
70.26576	12.2
71.01379	10.7
72.39155	2.3
78.98589	7.5
79.95749	15.7
80.96520	100.0
85.02993	3.2
87.00887	4.1
94.98110	21.1
96.96002	2.9
97.02942	2.9
98.20595	3.8
101.02444	2.9
122.97614	6.9
134.97578	6.5
148.99187	7.1
152.98607	4.7
157.98843	2.9
164.98624	12.0
168.77647	2.8
206.99718	3.6
225.00703	24.1
255.23232	3.0
360.01926	2.8
394.30438	3.1
537.26660	3.4
773.53827	3.2
793.51611	77.7
794.51764	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2982
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66163	0.1
58.67832	0.1
59.01373	0.4
61.98836	0.5
64.60696	0.1
66.91421	0.1
69.67676	0.2
69.68089	0.6
71.01382	0.3
73.02952	4.7
74.02451	0.1
75.00871	0.2
80.96506	0.4
87.00876	0.2
99.00890	1.0
99.92593	9.1
100.92616	0.6
100.93204	0.1
114.93410	0.4
115.00410	0.3
116.03578	0.1
116.92874	100.0
116.97254	1.4
117.01948	8.8
117.05564	0.2
117.92879	5.3
118.02266	0.1
147.65495	0.1
178.32903	0.1
225.00897	0.2
277.21689	0.1
334.15268	0.1
335.17841	0.2
362.56766	0.1
397.13629	0.2
578.79974	0.1
793.51477	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.4199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.2
56.73830	0.5
57.03450	2.3
58.00586	1.1
58.65697	0.3
59.01380	25.7
60.01713	0.5
61.98829	4.7
69.03452	1.6
71.01388	21.7
71.05035	0.4
71.73294	0.5
72.00922	0.9
72.04550	0.7
72.99312	3.6
73.02949	7.2
74.02486	0.4
75.00887	1.0
75.81853	0.4
79.95740	1.3
80.96513	0.5
81.03436	0.5
82.02987	2.0
83.01394	5.2
84.04562	0.6
85.02960	9.7
86.02472	0.7
86.03243	0.4
87.00897	2.0
88.98801	0.6
89.02452	8.9
92.58669	0.4
93.03465	0.6
94.02993	1.4
95.01423	0.9
95.05025	0.5
95.95271	0.6
96.96021	23.0
97.02972	1.3
98.02492	2.1
98.95585	0.5
99.00893	3.1
99.03278	0.6
100.04064	2.4
101.02454	19.4
108.02206	0.4
109.02986	0.5
111.00908	2.1
112.04061	1.4
113.02466	2.6
115.00392	0.5
115.04008	0.6
116.92881	0.8
119.03533	0.8
119.05042	0.4
120.01257	1.0
121.02976	0.6
122.06091	0.7
123.04503	0.6
124.04070	2.9
125.02467	1.2
128.03505	0.8
129.01987	0.5
131.03522	9.9
134.03746	0.6
135.04578	0.7
137.02455	0.7
138.97090	0.9
139.11305	0.6
143.03450	0.6
149.02423	1.2
149.04614	0.8
150.03212	1.6
151.00359	0.4
151.03682	0.6
152.01103	0.5
155.10867	0.4
160.04050	0.5
161.02486	0.4
163.04076	0.5
165.04271	0.4
165.05548	1.8
166.05110	1.3
166.06332	0.7
166.86501	0.4
167.03494	0.5
179.05624	0.6
179.07089	0.5
181.05067	0.5
185.00948	0.6
191.01982	1.2
193.05049	0.6
195.06589	1.5
207.06821	0.4
209.03004	0.5
241.00249	3.3
253.06078	0.5
257.90445	0.4
267.07278	0.5
271.02631	0.5
271.10126	0.5
289.11124	3.4
290.11343	0.8
333.06314	0.6
349.56650	0.4
357.13489	0.5
363.29651	0.4
554.38733	0.8
617.22565	4.1
660.36060	0.5
748.43073	100.0
749.43408	26.7
792.27051	1.7
792.42065	23.4
793.22675	1.9
793.42975	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	789.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28520	1.3
56.62180	1.4
57.03427	1.3
59.01373	14.8
61.98831	17.6
69.48453	15.1
71.01392	7.2
72.99335	1.6
73.02985	1.7
73.92365	1.4
75.00886	2.2
78.95890	1.9
79.95721	1.7
80.05053	2.8
83.05058	1.3
85.02982	4.0
87.00892	2.3
89.02451	4.9
90.18447	1.4
94.06625	3.0
96.96011	14.9
97.01665	1.9
99.00872	2.4
101.02464	4.3
104.05079	3.2
106.06623	5.7
108.04559	4.5
111.93314	1.3
113.02512	3.2
116.92867	2.6
120.04573	3.0
122.06146	11.6
124.07726	9.9
134.06120	3.1
136.04063	3.9
146.06203	2.3
148.04059	34.1
148.90884	1.5
149.04393	3.1
150.05605	8.7
151.55820	1.6
152.07062	1.4
158.06184	2.5
160.03996	2.6
160.07683	3.0
162.05589	2.8
164.03563	2.4
166.02766	1.8
166.05055	9.9
168.06741	7.4
170.65721	1.4
178.05110	2.9
179.05496	1.5
190.05087	1.9
194.04626	1.8
211.08771	1.4
223.08897	2.6
224.09595	2.3
225.10442	2.6
227.08246	1.8
229.13470	1.9
231.11391	3.1
235.08861	3.2
236.09416	2.3
237.10297	10.2
238.10954	2.2
239.11632	1.6
241.09747	4.9
243.11398	4.1
249.10298	4.4
251.08252	5.1
251.11853	23.6
252.12201	2.1
253.09773	3.2
253.13380	1.6
254.10606	1.6
255.11287	8.0
261.10260	2.9
263.08307	10.1
264.09006	45.9
265.09677	7.5
267.11469	3.1
269.09116	3.2
271.10886	2.9
273.12427	24.6
274.12793	2.0
277.09793	7.0
278.10391	2.2
279.11374	88.6
280.11694	8.0
281.09161	4.1
281.12790	2.8
291.13528	5.3
295.10770	3.6
297.12387	7.7
299.10397	2.0
301.11935	1.8
305.09344	7.3
307.11014	2.6
311.14017	1.9
317.11343	4.0
323.10403	37.0
324.10632	3.2
325.11847	4.5
335.12433	7.5
341.11438	19.0
342.11560	2.0
428.16168	1.9
452.18045	4.1
454.13989	1.6
472.15372	3.1
534.14709	2.9
566.18024	8.8
579.22699	6.4
597.23688	3.1
623.21295	8.7
624.21136	2.8
641.22662	36.8
642.22711	7.4
650.78864	1.7
659.23633	72.5
660.23969	13.6
673.25378	29.3
674.25757	5.9
691.26404	100.0
692.26666	22.2
745.40082	2.1
789.31781	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	789.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	2.1
58.00582	1.7
59.01380	49.8
61.98832	6.6
65.00304	1.0
69.03454	2.1
71.01389	23.5
71.60913	1.4
72.99292	2.9
73.02953	12.0
74.27611	0.7
75.00860	2.5
78.95892	1.3
79.95759	1.4
83.01384	4.6
85.02955	13.0
87.00890	3.7
88.98798	2.0
89.01981	1.2
89.02455	11.2
93.03471	3.7
95.01381	3.4
96.96016	15.9
99.00902	2.2
99.04527	0.8
101.02454	16.1
109.02945	4.1
111.00893	1.3
113.02483	11.1
115.00388	0.9
119.03496	2.7
120.01235	1.9
121.02975	8.9
122.03778	4.7
122.04506	0.8
125.02415	1.1
131.03546	1.3
133.02974	1.7
134.03815	0.9
135.04488	2.5
136.01703	1.6
137.02393	1.3
139.04066	1.1
143.03496	1.5
145.02966	0.9
147.02980	1.0
148.01668	1.0
149.02490	7.8
149.04558	2.0
150.03256	28.9
151.03780	3.0
160.01718	0.8
160.04150	1.0
160.67058	0.8
161.02477	1.1
161.04538	2.6
165.01962	1.3
165.05595	24.4
166.02713	1.2
166.06094	1.1
171.25060	0.8
175.00356	2.9
175.02457	1.5
175.03967	1.4
176.01099	1.1
178.99719	0.8
180.04289	2.3
181.04951	0.9
188.01173	1.0
190.02730	0.9
191.01930	2.1
191.03482	0.9
193.05064	0.9
195.05043	1.2
195.06659	13.2
196.07080	1.1
209.03023	1.4
216.03259	0.7
219.72958	1.0
226.02646	1.2
227.03334	1.1
229.05022	1.6
241.00096	1.3
249.05975	1.0
255.02879	1.1
256.03583	0.9
267.07379	1.0
271.02411	2.8
272.02835	1.0
279.02975	1.0
282.01624	1.9
283.02423	2.8
295.02356	3.3
295.09778	4.9
296.02948	1.6
296.10211	1.1
297.03952	2.2
299.01938	1.4
300.02695	1.2
301.03442	1.3
309.04059	1.9
313.03806	1.1
313.10764	4.8
325.03452	3.3
338.24649	0.8
341.10336	2.0
357.13510	0.9
379.08075	3.9
388.14877	0.9
421.15033	0.8
429.09857	1.2
444.12000	0.9
445.12643	6.9
446.13373	1.4
447.10489	3.6
462.12991	2.3
463.13840	8.9
464.14447	1.5
475.15985	1.3
493.17050	4.1
503.18967	1.3
515.19122	2.9
521.20178	1.5
533.20099	2.9
537.21368	5.2
538.21338	1.0
563.21387	3.4
575.20947	3.2
625.19556	4.0
642.19672	16.9
643.20148	10.3
644.20740	1.5
649.74506	0.9
663.24957	1.0
681.25250	1.9
771.27582	1.1
789.26312	100.0
790.26630	28.5
811.16638	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89789	0.3
57.03446	24.5
59.01378	2.6
63.02394	0.5
63.37606	0.3
65.00311	0.6
69.61594	2.7
70.12457	0.4
71.01389	3.6
72.01820	0.5
72.02165	2.3
73.02936	0.4
81.07091	1.1
82.07589	0.3
83.01398	0.5
83.05031	18.4
84.05367	0.5
85.02965	2.3
87.04520	65.7
88.04852	1.1
89.02429	0.4
90.98606	0.5
95.05044	2.9
96.96026	3.2
97.05963	0.7
97.06594	11.7
98.03750	1.7
107.01408	1.6
108.02161	0.6
109.02939	0.8
109.06604	1.0
110.57211	0.3
113.06104	7.9
119.05040	0.5
121.02943	1.1
121.06590	1.3
123.08128	1.7
129.01939	0.5
135.00870	0.6
135.08162	1.5
137.09734	14.6
137.14346	0.4
138.10112	0.6
139.07663	1.5
139.11333	0.5
148.01723	0.6
149.09756	2.7
150.10002	0.4
151.00375	5.4
151.11311	1.2
152.00714	0.5
153.09233	9.7
154.09567	0.5
161.09743	0.7
163.00352	1.3
163.11304	0.8
164.01199	0.4
165.12843	6.6
177.12843	1.8
178.99924	3.0
179.05638	0.5
179.10794	1.2
191.01854	0.5
193.12306	1.0
193.85970	0.4
195.13905	27.8
196.02687	0.4
196.14259	1.6
199.58394	0.4
201.12849	0.5
204.11642	0.3
209.02921	0.5
209.15450	1.4
219.13896	4.4
221.11932	0.4
226.02705	0.6
227.03484	1.2
237.14948	100.0
238.15282	8.4
239.12865	5.1
243.02994	3.6
244.03406	0.5
245.04549	0.5
254.02176	0.9
255.02957	10.6
256.03476	1.0
271.02448	24.8
272.02826	2.8
281.13928	41.2
282.14294	3.1
283.02554	0.5
299.01746	0.4
300.02740	49.0
301.03458	25.5
302.03891	2.4
325.09241	0.4
453.17905	1.7
463.08774	70.4
464.09079	9.1
465.09409	0.6
503.19559	0.4
745.97919	0.4
789.25806	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	7.9
61.98824	9.3
69.44540	9.2
71.01393	2.2
75.00883	0.9
80.05076	1.2
85.02985	1.0
87.00920	0.9
94.06634	1.7
94.56063	0.7
96.96033	6.5
101.02455	1.1
104.05109	1.2
106.06640	4.2
108.04591	3.0
111.65752	0.8
113.02459	1.1
113.54931	0.8
122.06143	5.0
124.07687	3.4
132.04504	1.3
136.04083	1.8
148.04071	8.1
149.04523	1.0
150.05605	1.9
152.07173	0.9
160.04070	12.6
161.04559	1.1
164.03545	1.5
166.05096	2.2
168.06650	2.3
188.03511	1.7
189.04329	3.0
215.11876	1.2
218.04509	1.1
223.08701	1.1
225.10278	1.8
227.12032	0.8
234.07910	0.9
237.10237	0.8
238.07379	1.1
239.08298	2.3
241.09769	1.0
249.10312	3.1
250.07512	1.6
251.08203	6.1
251.11922	2.3
252.09027	13.6
253.09772	16.1
254.10196	2.1
255.11418	1.0
263.08267	3.1
265.09781	5.0
266.08087	1.2
267.11414	7.6
273.12460	5.1
277.09915	5.0
278.06833	5.5
279.07712	20.1
280.08298	4.2
291.13495	2.2
292.08380	1.5
293.09280	11.2
294.09717	2.2
295.10895	27.6
296.11197	3.9
317.11359	2.4
321.08804	82.1
322.09119	9.6
335.12433	11.0
335.61328	0.8
336.12717	1.1
339.09857	82.7
340.10202	10.2
341.11539	1.2
390.16562	0.8
394.31979	0.9
421.04300	0.9
452.18024	1.9
601.32251	0.9
639.20972	13.5
640.21655	3.6
657.22070	100.0
658.22418	19.7
671.23859	1.4
682.70795	0.9
689.24860	24.0
690.24829	5.5
694.79614	1.1
695.46790	0.9
806.91132	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.4
57.03437	1.0
59.01379	27.8
69.88108	2.4
70.83484	0.4
71.01382	6.4
72.99322	0.7
73.02953	3.1
75.00864	0.5
76.97003	0.4
79.95740	11.8
80.20126	0.5
80.96524	5.0
83.01385	1.4
85.02957	6.0
87.00867	1.1
89.02449	3.5
95.01433	0.7
95.95233	2.0
96.96019	100.0
97.82379	0.4
97.95969	0.6
98.95583	0.5
99.00880	0.6
101.02460	5.2
103.00392	5.5
107.62364	0.4
113.02476	2.9
119.03511	1.1
121.51538	0.4
125.02454	1.1
129.01955	0.8
138.97131	0.9
143.03581	0.7
143.24825	0.4
150.97133	0.5
152.98636	0.8
161.04604	0.6
164.98645	9.5
180.98140	1.6
191.01933	1.5
241.00160	1.9
256.99722	0.9
268.17014	0.4
271.02499	0.9
300.02716	1.2
301.03387	1.2
353.09024	3.7
353.59338	1.0
358.26953	0.5
379.10608	0.5
433.07690	2.1
435.16580	0.6
470.54263	0.4
477.17627	0.5
499.25674	0.8
517.26508	1.0
559.27307	2.2
560.27441	0.7
577.28656	2.5
615.23572	1.3
619.29504	1.0
639.23022	2.3
657.13324	0.7
657.24445	13.8
657.35071	0.5
658.24957	3.0
689.98834	0.5
699.25586	17.6
700.26453	2.3
701.23621	6.0
702.24200	0.9
725.23029	1.0
743.24445	16.1
744.24805	2.9
769.22473	1.0
787.23547	25.7
788.23914	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	787.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	29.8
60.01717	0.3
63.76164	0.2
69.56567	1.2
69.56973	0.6
71.01395	0.3
72.75500	0.2
73.02962	0.2
77.03979	0.3
77.69978	0.2
79.95743	0.7
80.96500	0.4
85.02973	0.7
93.03461	0.3
93.83851	0.2
95.18798	0.2
95.95227	0.3
96.96021	4.8
101.02448	0.2
103.00388	31.0
104.00748	0.4
113.02475	0.4
121.02972	100.0
122.03304	3.7
131.03503	0.2
135.04608	0.2
135.34717	0.2
135.93126	0.2
147.13300	0.2
151.00359	0.7
173.04614	0.3
178.99817	0.3
181.66757	0.2
191.01955	0.3
253.07169	17.6
254.07584	1.1
255.02995	1.3
271.02460	2.1
295.08240	3.9
296.08524	0.3
300.02737	4.1
300.46274	0.2
301.03546	2.8
302.03958	0.3
315.88257	0.2
339.07111	1.4
339.10916	0.4
447.03256	0.2
447.09372	4.6
448.09494	0.4
657.23816	0.5
693.81952	0.2
699.25092	0.8
743.24316	1.0
787.23236	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.7
61.98833	28.3
65.00338	1.4
71.73177	1.9
77.97959	1.2
94.49015	1.1
95.30167	1.1
101.89745	1.1
107.01398	3.7
114.98283	1.3
121.02973	2.0
126.75223	1.2
128.03571	1.6
128.07161	3.1
133.16164	1.1
151.00374	10.3
163.00391	1.9
178.99907	7.1
211.04170	1.1
226.02808	1.6
227.03473	3.5
243.03029	11.5
245.04636	1.4
247.85329	1.4
254.02255	3.7
255.02988	27.5
256.03397	2.6
264.52704	1.2
271.02463	65.1
272.02924	5.9
300.02759	100.0
301.03467	38.9
302.03860	2.8
395.31519	1.2
463.08722	1.4
723.30347	94.4
724.30750	25.9
786.30127	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	785.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.9
57.03450	13.0
58.00608	0.7
58.03777	0.4
59.01382	6.6
59.13620	0.3
66.77084	0.3
68.99817	1.3
71.01387	7.9
71.14334	0.3
72.99306	2.4
73.02958	1.1
75.00880	3.1
78.95911	8.7
79.95759	0.6
81.03474	0.6
83.01402	3.7
84.02174	2.9
85.02960	100.0
86.03291	2.1
87.00890	1.6
89.02465	3.1
96.96024	12.0
96.96976	5.7
98.19844	0.7
99.00891	1.1
101.02457	1.2
103.00371	2.0
111.00896	7.4
112.18082	0.3
113.02510	0.5
115.00401	1.1
117.01965	0.3
120.01289	0.4
125.02464	1.2
129.01965	13.1
130.02238	0.4
133.01450	3.9
133.03006	0.3
134.03778	4.1
134.04718	0.5
138.97073	0.4
143.03439	0.3
145.01532	0.5
147.03015	12.5
148.03378	0.4
156.42233	0.3
158.92570	0.9
161.04509	0.6
165.03925	0.3
170.15178	0.3
173.00929	2.1
180.99118	1.2
191.01993	62.4
192.02396	2.0
193.05002	2.5
196.31128	0.3
205.03571	6.8
209.03038	71.5
210.03360	2.9
223.04597	5.3
224.05048	0.3
229.51160	0.5
241.00230	0.6
301.66345	0.3
345.14874	0.4
346.05612	0.9
347.05862	0.6
351.40692	0.3
353.33691	0.3
367.06638	1.0
379.06979	0.4
385.07660	17.4
385.11835	22.6
386.07904	2.2
386.12268	2.0
387.10931	0.8
398.10971	0.3
399.09421	3.0
415.08823	0.4
429.09830	0.4
429.59781	0.3
437.08627	1.0
438.08923	1.4
479.61115	0.3
785.15570	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.5
59.01381	2.8
59.29173	0.2
60.20963	0.3
61.98829	3.4
69.04290	0.3
69.96618	1.7
71.01389	1.8
72.99309	0.5
73.02928	0.8
75.00829	0.3
79.95739	2.6
80.20852	0.3
80.96518	1.2
85.02953	1.9
87.00881	0.5
89.02445	0.7
90.66656	0.3
93.03452	0.3
95.95266	1.9
96.21272	0.3
96.96020	39.0
99.00916	0.4
101.02444	1.1
110.06095	0.6
120.01304	0.3
122.06148	0.3
122.97594	0.7
127.57766	0.3
135.04510	0.3
137.02429	0.4
138.97093	1.3
149.04619	0.4
150.03265	0.5
150.09229	0.4
150.97092	1.0
160.04034	0.5
164.98584	0.3
165.05577	0.3
174.05571	0.8
178.08698	0.5
180.98108	0.4
191.02005	0.8
197.15457	1.0
198.15765	0.3
203.05908	0.6
204.06564	0.4
222.07703	1.3
237.10294	0.6
241.00195	3.0
241.14406	1.6
242.14810	0.7
243.14902	0.3
251.11897	0.4
256.99792	0.3
259.01273	0.3
265.13525	0.6
277.09830	0.6
278.10590	0.4
279.11365	0.7
283.15494	0.9
284.15961	0.4
291.11365	1.6
292.12030	1.0
293.09781	0.4
293.12900	1.4
295.10806	0.4
299.04373	0.6
301.03442	0.4
303.03644	0.3
307.10953	0.3
312.10968	0.4
313.11960	0.4
321.12555	0.3
324.11188	0.3
325.11862	0.4
335.10406	1.1
336.10922	0.6
336.87018	0.3
349.11887	0.6
350.12878	1.3
351.13428	0.9
380.86465	0.4
394.11722	0.9
395.12231	0.6
447.09167	0.5
450.10153	0.3
451.16409	100.0
452.16779	11.9
490.19711	0.6
508.20795	0.4
534.18744	1.1
535.19177	0.4
536.20178	0.5
566.21484	8.3
567.22076	5.1
568.22687	1.6
596.22504	0.5
620.91492	0.3
647.27026	0.4
656.24567	1.7
657.25409	1.2
658.26251	0.9
689.28387	0.5
735.29407	0.3
779.32947	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	775.5352
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98527	0.2
70.95461	0.2
89.56302	0.1
224.61728	0.1
289.26215	0.1
347.31998	0.1
384.12598	0.1
386.85962	0.1
771.13971	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	777.3043
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.5
59.01380	1.6
71.01383	1.5
71.72768	0.2
72.99297	0.5
73.02937	0.3
73.63332	0.2
74.15971	0.2
75.00885	0.2
79.95743	2.3
80.96532	0.9
83.01403	0.3
85.02964	1.4
87.00913	0.3
87.04516	1.0
89.02469	0.5
95.95242	1.9
96.96021	43.7
98.95633	0.2
99.00892	0.5
101.02469	1.0
102.80048	0.2
105.96807	0.2
113.02456	0.7
122.97608	0.6
137.09758	0.2
138.97112	1.3
149.02382	0.2
150.03239	0.5
150.97046	1.0
153.09245	0.2
160.04076	0.3
163.04021	0.2
164.98599	0.4
165.05611	0.9
168.98238	0.2
175.02478	0.3
175.04079	0.2
177.04059	0.5
179.05666	0.2
180.98108	0.5
183.02975	0.2
193.05063	0.3
195.06651	0.2
195.13948	0.6
198.99231	0.4
213.00844	0.3
222.99182	0.2
224.62814	0.2
225.00674	0.2
237.05534	0.3
237.14909	1.7
238.15189	0.3
241.00284	2.6
252.07967	0.2
253.05077	0.3
256.99692	0.7
267.06998	0.2
281.13959	0.9
283.09756	0.7
285.02960	0.4
343.10690	11.0
344.11121	1.2
379.10715	2.1
380.11105	0.3
393.12534	0.2
394.13046	0.2
433.07755	0.4
451.16428	100.0
452.16785	11.5
531.49396	0.2
555.21844	0.2
653.26624	0.5
729.28217	0.2
777.34052	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	775.5355
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22063	0.1
59.40063	0.1
61.98831	100.0
62.98525	0.1
66.38963	0.1
70.29190	0.2
70.29599	0.4
88.26968	0.1
98.20612	0.2
133.18300	0.1
147.06015	0.1
204.93735	0.1
219.25684	0.1
337.01929	0.1
370.31219	0.1
399.28229	0.1
795.80988	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	775.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.8
57.03448	1.8
58.00592	5.1
59.01377	100.0
60.01732	0.5
61.98831	4.7
68.85857	0.4
69.03462	0.5
69.62047	3.1
71.01383	77.1
72.01726	1.9
72.99308	8.1
73.02947	2.3
75.00869	0.5
78.95930	0.6
79.95757	0.7
83.01370	2.6
85.02956	13.0
87.00872	4.4
89.02449	85.1
90.02783	1.7
95.01390	5.6
95.95209	0.7
96.96021	9.7
97.02970	0.6
99.00888	0.9
101.02452	34.0
102.02814	1.0
103.00407	0.4
107.03501	0.8
109.02973	0.9
113.02457	30.2
114.02790	1.0
119.03513	28.8
120.01244	0.6
120.03881	0.6
123.04512	0.6
125.02467	1.0
128.04698	0.4
129.02032	0.4
131.03502	3.6
134.03741	0.6
134.06105	0.5
135.04549	0.9
136.01715	0.6
136.07611	0.8
137.02437	1.2
139.00430	0.5
143.03511	7.1
146.03711	1.4
149.02441	1.4
149.04541	3.0
150.03188	1.3
151.03978	1.3
153.01913	0.8
153.05586	0.6
160.55046	0.5
161.02419	0.5
161.04581	6.9
162.03178	1.5
163.04016	0.7
164.04726	0.8
165.01953	0.8
165.05548	1.3
166.02771	2.4
168.04092	0.4
175.02528	1.0
175.03963	1.0
177.01929	0.9
177.05513	1.4
179.05638	22.8
179.07112	2.5
180.05948	0.9
181.05049	2.7
187.04126	0.6
190.02611	0.8
191.03416	0.9
192.04285	1.0
193.04997	1.0
195.06712	0.9
205.05029	0.6
207.06552	1.7
219.06459	0.8
223.06021	1.3
229.32959	0.4
257.12979	2.1
386.13577	0.7
416.14764	3.8
417.15149	1.4
436.18359	1.8
508.38556	0.5
565.20917	7.5
566.20728	1.5
595.22192	0.6
639.54681	0.5
641.25677	1.7
642.25745	0.6
671.38751	0.6
758.24579	0.5
775.31317	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	773.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.9
57.03444	1.7
58.00597	1.8
59.01379	100.0
60.01708	1.2
61.98832	5.4
68.99856	0.5
69.03471	1.7
71.01386	48.2
71.73245	0.9
72.01730	0.6
72.99313	2.8
73.02950	34.7
75.00870	1.8
79.95757	0.7
81.03482	0.6
83.01395	13.7
83.01874	0.7
83.05026	0.9
84.34669	0.5
85.02959	12.6
87.00888	3.2
87.01426	0.5
87.04536	0.5
88.98839	1.0
89.02451	15.6
93.03439	0.6
95.01395	2.6
96.96031	5.8
97.02979	2.2
99.00917	1.9
99.04533	0.8
101.02455	41.4
102.02798	0.8
103.46698	0.5
107.05077	0.7
111.00890	0.6
113.02460	26.8
114.02850	0.6
115.00385	0.8
116.92880	0.6
119.03519	6.8
120.01337	0.7
121.02982	0.8
122.03755	0.6
123.04562	0.9
125.02486	3.8
127.04072	0.5
131.03534	5.0
135.04558	1.1
135.08197	0.8
136.05357	0.7
137.02547	1.1
137.09828	0.5
143.03537	7.4
143.04602	0.7
145.02951	0.6
147.03021	0.6
149.04572	6.9
150.03270	1.2
151.07697	1.5
155.03534	1.6
156.62616	0.5
160.04080	0.6
161.04568	13.9
161.05867	0.8
162.04893	0.9
163.04030	0.5
165.05634	2.1
167.03482	0.6
172.00797	0.5
175.04109	1.2
179.05669	5.6
179.07167	1.0
179.10809	0.8
180.04500	0.7
183.10287	0.9
187.11296	0.8
189.09354	0.5
191.02007	0.7
195.06729	1.3
203.05647	3.6
221.06595	2.6
222.89671	0.5
254.41827	0.5
265.49542	0.6
301.03317	0.6
319.62891	0.6
343.12036	1.0
354.86432	0.6
361.16553	2.7
399.16855	1.1
457.68747	0.6
515.18933	0.7
577.22998	0.8
583.31525	2.2
601.32471	1.8
625.33270	1.4
643.33618	3.2
644.34186	1.0
661.28912	0.7
669.40546	1.1
685.35107	0.9
729.40820	4.0
773.33252	5.7
774.33337	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	10.7
59.01379	9.7
65.00322	0.3
71.01390	1.1
71.73695	0.4
72.02140	0.3
83.05031	3.7
83.05480	0.4
83.91695	0.3
85.02976	0.4
87.04523	12.1
89.30030	0.3
92.32455	0.3
95.05029	0.4
96.96016	1.1
97.06599	2.2
98.71167	0.3
103.00360	0.3
107.01392	0.6
109.02950	0.4
109.06590	0.3
113.06088	1.3
119.08686	5.6
121.02970	0.9
121.06622	1.3
123.08205	0.4
135.08244	0.5
137.09741	30.6
138.10091	1.7
139.07668	0.3
141.91571	0.3
148.01567	0.2
149.09744	1.5
151.00386	1.9
151.11307	0.9
153.09210	2.2
161.09747	2.0
163.00389	0.5
163.11371	0.4
165.12866	1.1
167.14375	0.5
177.12857	6.5
178.13225	0.6
178.99901	1.4
179.10864	0.3
193.12373	0.8
195.13916	5.1
196.14188	0.4
196.63329	0.3
201.12958	0.4
209.15598	0.3
211.04132	0.4
218.37665	0.3
219.13910	0.6
221.11844	5.5
222.12221	0.5
229.04932	0.4
235.13486	0.4
237.14960	19.7
238.15334	1.6
239.12881	100.0
240.13203	7.7
241.14461	0.3
243.03008	1.2
244.75513	0.4
255.02991	3.4
256.03296	0.3
271.02466	7.0
272.02905	0.8
273.03857	0.3
281.13934	65.2
282.14273	6.5
283.02444	0.5
300.02759	14.4
301.03510	10.5
302.03827	1.2
349.30887	0.3
447.09332	24.6
448.09714	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	770.348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21595	0.2
58.20372	0.2
59.01377	2.5
61.98831	100.0
69.03445	0.2
69.82714	1.3
71.01392	1.5
73.02950	0.6
74.51618	0.2
75.00874	0.2
78.95911	0.3
79.95754	0.2
83.01396	0.2
85.02972	0.6
87.00893	0.4
89.02438	0.4
96.96021	1.6
101.02473	0.7
113.02463	0.5
122.76959	0.2
125.02410	0.2
135.04570	0.2
161.04536	0.2
163.07632	0.2
241.00444	0.2
289.56973	0.2
383.64667	0.2
388.60153	0.2
435.20648	0.2
505.32111	0.3
625.23138	0.2
727.40100	0.6
770.41248	0.2
771.40735	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.2
57.03450	6.6
58.00574	0.8
59.01377	34.4
67.01889	1.0
68.99815	1.8
69.03466	2.7
69.63184	4.1
71.01385	25.6
72.99310	6.0
73.02941	2.1
73.81959	0.5
75.00459	0.9
75.00877	17.1
77.63786	0.4
78.95913	0.6
79.05566	0.5
79.95715	0.6
81.03459	0.7
83.01389	2.1
83.05017	1.4
85.02956	34.7
86.03294	0.7
87.00881	9.3
89.02457	5.9
89.74320	0.5
91.04008	1.6
93.03471	0.7
95.01404	5.8
96.96023	8.7
97.02953	0.7
98.20639	0.5
99.00891	11.9
99.04508	1.3
101.02459	1.7
103.00361	3.2
107.04997	0.6
109.02972	0.6
111.00877	2.3
111.04597	0.5
112.01675	0.8
113.02460	30.2
113.06105	0.6
114.02777	0.9
115.00381	3.4
117.01958	2.6
120.01229	0.9
125.02451	0.7
126.64660	0.5
129.01944	4.3
131.03539	0.5
135.04471	0.8
137.06134	0.5
139.00336	1.1
147.03011	0.8
149.04514	0.5
157.01335	0.9
161.04602	0.7
161.09737	1.7
161.13362	2.1
163.11320	2.3
165.05545	0.6
175.02480	2.7
178.99796	0.6
185.00955	0.7
187.11267	2.8
189.04004	0.8
189.09235	1.2
191.02020	3.4
205.03525	1.8
205.07176	2.0
205.12302	4.2
206.12531	0.5
207.05067	1.1
207.10255	1.5
223.04587	2.1
223.13365	1.1
231.05096	1.1
249.06143	14.3
255.03065	0.6
267.07202	24.4
268.07483	1.7
271.02637	0.6
288.05423	0.5
298.21057	0.5
300.02725	1.4
301.03662	1.1
309.08231	2.2
333.05963	0.8
333.10464	1.6
410.85291	0.5
433.07767	1.1
455.19199	1.4
457.17233	2.1
499.18149	4.0
517.19147	2.1
591.22571	4.0
633.23956	0.6
653.95947	0.5
705.25629	0.6
749.25775	3.5
750.24969	0.7
767.26367	100.0
768.26825	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.4
55.36038	0.6
55.87270	0.4
57.03448	6.8
59.01377	37.1
61.93023	0.5
67.01886	0.6
68.99806	1.9
69.03465	2.7
69.75414	4.1
71.01382	25.8
72.01702	0.6
72.99306	6.8
73.02930	2.1
75.00876	18.8
78.95915	1.0
79.95737	0.5
80.67826	0.5
83.01391	1.5
83.05027	1.0
85.02955	32.8
87.00887	9.5
87.01395	1.1
89.02450	4.9
91.04022	1.0
93.03459	1.2
95.01395	5.3
96.96024	8.5
97.02943	0.9
99.00893	12.2
99.04491	0.8
101.02454	1.6
103.00390	2.7
107.05056	0.8
109.02944	1.0
111.00911	2.9
112.01632	1.0
113.02460	33.8
113.06084	0.6
114.02798	0.9
115.00404	2.7
117.01956	2.6
119.05001	0.5
120.01250	1.4
120.92283	0.5
125.02435	0.9
127.03989	0.7
127.96656	0.6
129.01952	4.3
130.99840	0.5
131.03467	0.9
134.03699	0.6
135.04512	1.5
139.00403	0.7
145.05013	0.7
147.03004	0.6
150.03247	0.6
157.01390	1.3
161.09709	1.8
161.13356	2.0
163.11270	1.6
175.02441	1.9
178.97269	0.4
178.99808	0.5
185.00916	0.8
187.11275	3.5
189.04044	0.7
189.09201	1.3
191.01985	3.2
193.04994	0.8
205.03499	1.2
205.07082	2.0
205.12305	3.8
207.05067	1.1
207.10175	2.0
223.04680	1.2
223.08296	0.6
223.13380	1.3
231.05078	1.5
249.06145	15.6
250.06659	0.9
267.07196	25.2
268.07556	1.6
271.02383	0.8
300.02689	0.8
301.03574	0.6
309.08240	2.1
333.06088	0.9
333.10852	1.0
396.35406	0.5
428.42453	0.5
433.07645	1.2
455.19028	1.1
457.17160	1.4
499.18198	4.3
500.43863	0.5
517.19177	1.8
524.20221	0.8
537.95563	0.6
578.86810	0.5
591.22809	4.3
592.23743	0.6
636.87683	0.6
646.26080	1.2
705.25879	0.7
723.29132	0.8
730.32770	0.6
749.25134	3.2
750.25574	1.1
767.26361	100.0
768.26855	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.8
55.58626	0.6
57.03450	4.9
58.00604	0.7
59.01380	33.8
61.98851	0.6
67.01884	0.9
68.99821	1.5
69.17537	0.6
71.01387	22.0
71.19042	1.2
72.99310	5.0
73.02933	2.4
75.00880	16.0
83.01407	1.3
83.05052	1.2
85.02960	25.1
87.00884	8.3
89.02448	5.4
93.03481	0.9
95.01388	5.3
96.96014	11.6
99.00890	8.7
99.04534	1.1
101.02459	1.0
103.00369	2.2
107.05013	0.9
111.00893	1.2
113.02463	28.4
115.00375	2.6
117.01947	1.7
125.02470	0.9
129.01956	2.9
131.03467	0.8
139.00389	0.7
147.03015	0.7
149.04636	0.8
157.01447	0.9
160.04108	0.7
161.09734	1.5
161.13368	1.8
163.11295	1.1
165.05482	0.7
169.01437	0.7
175.02455	2.1
182.58920	0.6
187.11317	3.1
189.09239	1.2
191.02029	1.4
205.07124	2.4
205.12297	3.7
207.05106	1.5
207.10297	2.8
223.13374	1.2
230.48093	0.7
231.05025	1.7
245.09193	0.6
249.06139	14.7
250.06497	0.6
257.12833	1.1
258.13275	0.7
267.07202	22.8
268.07401	1.0
301.11902	1.4
309.08353	1.3
449.72076	0.7
453.18008	11.4
454.18344	2.3
457.17084	0.8
463.08557	1.1
499.18317	1.4
517.19122	1.4
591.23230	3.6
622.83881	0.8
646.26239	0.8
647.26569	1.4
705.27051	1.0
730.94342	0.7
749.25891	2.0
767.26453	100.0
768.26862	21.8
768.37451	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.2
59.01381	3.8
61.98831	3.6
66.48421	0.1
69.03461	0.2
71.01385	1.8
71.73059	0.3
72.99308	0.3
73.02953	0.7
75.00879	0.5
75.35288	0.1
78.95934	0.2
79.95744	8.3
80.96526	0.4
83.01396	0.5
85.02958	1.5
87.00869	0.5
88.98820	0.6
89.02457	0.7
92.79753	0.1
93.03471	0.2
95.01426	0.3
95.95251	0.5
96.96022	100.0
97.02921	0.2
97.95966	0.4
98.95657	0.2
99.00887	0.4
101.02434	0.8
103.00413	0.3
109.72473	0.1
110.97605	0.5
113.02467	1.3
116.92867	0.1
119.03488	0.2
119.05093	0.2
120.01247	0.4
121.02970	0.2
123.00917	0.2
125.02509	0.2
134.03757	0.2
135.04523	0.2
136.01686	0.3
137.02495	0.2
138.97099	0.3
143.03479	0.2
147.04535	0.2
149.02496	0.1
149.04472	0.2
150.03214	0.3
151.04007	0.8
160.04134	0.2
161.02519	0.2
163.03949	0.2
164.04839	0.1
164.98628	0.1
165.05550	0.3
175.02470	0.1
184.06180	0.2
205.12462	0.1
230.99632	0.2
235.09750	0.3
241.00162	0.5
241.69293	0.1
249.06236	0.3
267.07153	0.4
268.07376	0.3
269.08115	0.3
278.43619	0.2
283.09781	0.7
285.11154	0.3
298.08432	1.1
300.10202	0.2
313.10776	2.6
314.11356	0.6
315.12473	0.3
328.13168	2.7
329.13699	0.3
439.10391	0.5
519.32025	0.3
543.31354	0.2
560.31311	0.4
561.32666	1.6
591.33368	0.2
635.31085	0.3
647.26776	0.3
663.35986	0.3
681.28204	1.1
723.28229	0.4
766.34601	0.2
767.25964	34.0
767.36536	2.2
768.26410	7.6
790.58649	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	7.8
58.02965	1.1
59.01376	7.9
63.02400	2.6
65.00317	4.7
71.01383	4.9
71.71907	1.5
73.02934	1.9
74.02480	3.2
75.00895	1.5
79.95731	0.9
83.01375	5.4
85.02959	30.5
86.02463	0.9
87.00879	1.4
91.02035	1.0
96.96023	23.9
98.20366	1.0
99.04549	1.3
99.05650	2.6
101.02432	1.8
107.01399	10.7
111.00893	4.2
113.02440	1.7
117.03448	0.9
119.05054	2.1
122.99132	1.1
123.04527	1.0
125.02462	5.5
125.03442	1.9
127.05149	1.2
128.03578	9.8
129.01967	9.2
133.03079	1.9
134.03749	4.5
135.00891	3.2
135.04564	2.2
138.98615	4.7
141.03078	2.3
143.04625	8.6
145.02968	3.1
147.03026	3.1
149.02495	1.9
150.03261	1.3
151.00389	34.4
152.00792	1.0
154.98116	2.1
160.00699	2.8
161.02458	5.7
163.00395	13.4
163.03993	2.0
164.00981	1.3
165.01897	1.3
165.05585	1.9
166.98134	5.5
167.04745	1.0
168.99683	1.5
169.01378	2.2
169.02667	1.7
173.00972	1.3
173.02457	3.1
175.04033	1.4
178.98271	1.9
178.99858	16.5
179.03346	1.3
179.04692	1.3
185.02441	2.2
189.01855	6.8
191.01994	8.9
193.01401	7.2
193.05020	2.2
194.97594	27.8
195.06619	1.5
195.13951	13.3
195.97874	1.3
196.14180	1.5
196.99123	1.1
201.00192	1.5
201.01929	3.6
203.01372	2.0
204.99644	1.9
205.01714	2.1
205.03546	7.9
207.02831	1.2
209.02980	3.3
210.08949	1.1
213.00183	1.6
215.03505	2.7
216.03049	1.1
216.99701	1.5
217.01418	34.9
218.01938	1.4
220.95503	1.1
222.97163	1.2
223.04597	4.8
229.01489	3.6
231.03015	1.8
232.99112	27.7
233.99652	1.1
235.00732	1.8
241.00148	2.0
241.01483	1.9
242.02272	1.8
243.02983	6.4
245.01060	7.3
249.05928	1.1
254.04704	1.3
254.07837	2.0
255.03059	1.6
256.99026	5.1
257.00937	6.2
259.02542	2.8
260.98532	1.4
261.04074	1.1
267.07248	5.6
269.00912	8.1
270.01556	2.9
270.07419	1.2
271.02353	3.5
272.08829	4.1
272.98578	3.4
275.00204	1.4
276.98090	3.1
280.02829	1.1
281.13843	1.3
282.04205	1.1
283.02451	1.2
284.98065	2.8
285.00452	7.2
286.01263	1.2
287.02054	14.7
288.06549	1.3
296.02054	1.2
297.00385	3.3
298.01050	3.2
298.03604	4.1
299.01935	4.0
299.15005	1.8
300.94705	1.6
300.98099	22.0
301.03369	1.2
301.98654	1.8
302.99591	15.5
303.99960	2.0
306.07645	26.1
307.08051	2.1
308.01874	1.7
312.99878	100.0
314.00339	10.1
315.01700	8.8
318.99210	1.8
324.01373	2.6
325.02335	1.7
326.03049	27.8
327.03412	1.5
328.97601	97.2
329.97968	13.1
330.99149	40.5
331.99402	3.4
342.00763	26.5
343.01056	1.9
344.04233	1.7
346.98718	7.5
347.99478	2.9
349.00119	9.8
352.01077	1.9
361.09561	8.1
362.09882	1.8
367.06546	1.4
370.02036	4.0
372.02014	1.1
379.06790	2.2
380.07584	2.1
395.05188	1.7
399.09280	3.1
411.13162	1.1
429.09933	6.4
429.15396	1.6
433.07822	7.4
452.13358	1.7
458.99808	1.6
459.05768	15.3
459.11899	2.0
460.06082	3.4
461.07678	1.1
467.06561	6.0
468.07101	7.2
469.07840	1.4
473.02954	2.5
477.06763	4.9
490.10004	4.0
491.03796	2.4
493.04440	23.7
494.04608	3.9
495.06033	27.8
496.06104	4.6
496.62869	1.0
511.04883	1.8
516.07684	7.4
517.08209	1.8
518.07971	1.3
558.08246	1.4
620.08411	13.0
621.08905	4.2
637.09973	7.8
638.10321	1.5
698.31226	1.1
766.13812	14.1
767.15906	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	765.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24487	0.8
58.54845	0.8
59.01341	1.1
59.23685	0.8
61.24123	0.8
61.98838	1.4
63.96239	1.0
69.85677	4.7
71.01373	6.7
73.02931	2.4
78.98606	5.3
79.95742	11.9
80.96521	80.0
85.80328	1.0
87.00884	3.2
94.98095	15.8
96.96033	2.0
97.02947	1.4
99.00903	0.8
101.02452	1.9
106.98086	3.7
122.97633	4.5
125.02440	3.2
134.97591	6.2
136.99170	1.2
140.25070	0.9
148.99156	7.2
152.27103	1.0
152.98642	6.6
154.71410	0.9
154.94601	0.9
164.98637	14.1
183.13913	4.9
206.99695	3.5
225.00731	27.9
246.67299	0.9
255.13832	0.9
255.23267	2.9
327.94641	0.9
509.16919	3.5
537.27051	1.6
619.11761	1.0
716.39923	1.1
765.41278	100.0
766.41486	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	765.357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.4
60.99308	17.0
61.98828	0.3
70.25394	0.4
71.01385	0.3
85.02955	0.1
87.00894	1.2
88.00413	2.7
88.01237	0.2
88.98816	100.0
89.02448	14.7
89.99151	1.4
90.02773	0.3
97.02963	0.1
101.02442	0.2
171.33636	0.1
172.50162	0.1
277.21722	0.8
318.70096	0.1
397.13412	1.2
398.13794	0.2
415.14246	0.5
418.75778	0.1
420.12183	0.1
500.20575	0.1
513.09357	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	765.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.3
60.99306	17.3
61.14716	0.1
61.98828	0.5
71.01384	0.4
75.55001	0.1
81.57672	0.1
83.01402	0.1
85.51325	0.1
87.00891	2.2
88.00413	3.2
88.01225	0.2
88.98815	100.0
89.02446	21.0
89.99152	1.1
90.02804	0.3
101.02470	0.2
102.95150	0.1
125.02451	0.1
148.90982	0.2
175.89769	0.1
182.19695	0.1
206.68217	0.1
229.44005	0.1
277.21689	0.8
278.22040	0.2
397.13495	1.5
398.13608	0.3
415.14438	0.4
440.57718	0.1
441.95370	0.1
448.81027	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	765.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.7
57.03451	3.1
58.00600	0.6
59.01377	20.9
61.98832	6.1
62.94442	0.6
67.01883	1.4
68.99802	1.8
69.03447	2.1
71.01383	27.7
71.64165	0.5
71.64630	0.5
72.01709	0.7
72.99314	7.0
73.02948	4.6
75.00462	1.0
75.00874	16.4
78.95901	1.0
79.95738	1.3
83.01376	1.9
83.05029	2.2
84.72789	0.6
85.03015	23.8
86.03309	0.8
87.00883	7.9
88.04055	0.5
89.02445	5.9
91.08279	0.7
93.03455	0.7
95.01386	4.6
95.95217	1.2
96.96021	14.4
96.96972	0.6
97.02962	1.1
98.20395	4.2
99.00888	13.6
99.04015	0.5
99.04526	7.1
101.02458	3.9
103.00349	2.2
108.32675	0.6
109.02940	0.9
109.06582	0.7
111.00872	1.7
111.04491	0.7
113.02462	24.9
115.00400	3.7
117.01923	1.8
120.01202	0.9
121.06643	0.7
122.06165	0.8
129.01906	1.9
131.03506	1.5
133.06549	0.7
134.03673	0.6
135.04518	0.6
135.08109	0.8
139.00342	0.7
139.03952	0.6
140.17923	0.7
150.03163	0.8
156.29623	0.6
157.01437	1.1
160.04080	0.7
161.04567	0.6
175.02419	1.6
175.03838	0.9
177.05547	0.9
185.13345	0.6
189.04187	0.6
203.14435	9.2
204.04282	1.0
219.06560	1.0
221.04480	0.9
221.15479	19.3
222.15880	1.6
231.05028	1.2
241.00153	0.7
242.31952	0.8
247.13364	1.3
249.06154	12.4
249.08665	0.4
255.11346	0.8
265.14432	4.2
267.07196	11.6
277.98605	0.6
316.13272	0.6
339.17920	1.2
352.07739	0.6
357.30109	0.8
453.21408	0.8
500.93906	0.7
559.31250	3.6
571.25287	1.2
579.01550	0.6
589.25116	4.8
590.25366	0.9
706.32544	2.0
747.27429	1.6
765.28210	100.0
766.28510	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	763.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.3
58.02974	0.3
59.01376	2.9
68.84103	0.2
69.90284	1.4
70.02969	0.3
71.01383	0.9
73.02927	0.3
74.02480	2.4
75.00881	0.2
78.95920	1.0
79.95745	7.5
80.96530	0.5
83.01406	0.3
85.02975	1.4
87.00865	0.3
89.02487	0.3
95.95253	0.9
96.96025	100.0
97.95963	0.3
98.02489	0.4
101.02474	0.4
109.02968	0.3
110.97594	0.4
111.00838	0.3
113.02512	0.6
115.80852	0.3
116.03560	0.5
116.05077	0.9
120.01279	0.9
121.02979	0.4
134.03720	0.3
147.03174	0.2
152.91994	0.2
152.99710	0.2
153.15776	0.2
165.05536	0.2
166.02679	0.5
167.03622	0.3
180.04381	0.2
181.05077	1.0
195.06659	0.4
201.10371	0.2
203.08301	2.3
209.03023	0.7
239.16545	0.3
241.00157	0.5
245.09305	6.1
246.09532	0.5
255.02834	0.2
257.08218	0.2
261.00702	0.3
271.02548	0.2
285.07486	0.4
298.08502	0.3
300.02756	0.3
301.03824	0.4
311.09348	0.4
312.09979	0.2
313.07144	1.2
313.10818	1.1
314.07611	0.3
325.11053	0.4
328.09503	4.4
328.13031	0.3
329.10123	0.8
343.11887	4.5
344.12137	0.6
358.14215	7.3
359.14526	1.3
379.58417	0.2
411.08609	0.3
411.13556	1.8
421.57510	0.2
453.08441	0.6
468.10873	0.6
469.11746	1.8
497.94235	0.2
558.16516	1.5
610.37482	0.2
731.24200	0.2
763.21552	37.5
764.21838	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	761.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.5
57.03442	3.6
58.99612	0.6
59.01094	1.2
59.01380	20.4
61.98825	2.0
69.03469	0.5
70.39673	0.6
71.01380	5.5
71.18726	0.7
71.19073	1.3
72.02169	1.2
72.56103	0.6
72.99294	0.9
73.02943	2.0
77.58868	0.6
79.95740	0.7
80.96531	0.6
83.01392	1.1
83.05027	5.2
85.02947	3.4
87.04523	2.0
89.02438	1.2
96.96024	12.1
97.06605	3.1
99.00896	0.9
101.02441	2.0
102.98580	0.6
107.01408	1.3
108.02150	1.0
109.02942	1.5
113.02452	2.2
113.98027	0.6
115.12495	0.5
120.01271	0.7
120.99686	2.5
121.02969	1.8
121.20073	0.5
122.99302	0.6
123.08176	0.9
125.02482	0.7
134.03647	0.7
137.02461	0.7
137.09717	1.5
139.11346	3.1
145.02966	1.0
146.03700	1.0
147.02977	0.6
149.02432	1.0
149.06029	0.9
149.09711	1.0
150.03255	1.2
151.00386	7.1
153.01909	0.8
162.03200	0.9
163.00394	1.5
163.11282	5.4
164.01057	0.7
165.05548	1.4
165.12823	1.2
167.14409	4.2
177.12825	1.1
178.99908	3.7
179.14450	3.9
191.01993	0.8
195.06665	0.9
195.13911	18.8
196.14236	0.9
197.15477	86.5
198.15799	4.7
211.04115	0.9
211.17049	3.3
223.13379	15.7
224.13664	1.0
227.03459	1.2
239.16515	22.1
240.16805	1.6
241.00095	0.6
241.14445	98.1
242.14783	6.0
243.02930	3.6
245.04434	1.1
254.02339	0.7
255.00226	0.9
255.02956	12.1
256.03476	1.1
256.99432	2.9
271.02451	23.1
272.02905	1.9
273.03873	1.1
283.15503	100.0
284.15866	8.3
290.04849	0.8
299.01685	0.8
300.02753	52.0
301.03506	41.5
302.03876	3.0
361.16718	1.3
432.14407	1.3
433.07751	85.0
434.08081	9.4
509.21405	1.3
521.21912	1.0
539.22363	1.2
592.79950	0.6
641.26740	0.7
761.34308	3.3
762.27887	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	22.3
59.01378	1.2
69.70412	3.2
69.70830	1.4
71.01388	3.2
72.02166	1.4
81.07085	1.4
83.01422	0.8
83.05029	17.4
85.02995	0.6
87.04521	62.0
88.04868	1.6
95.05029	3.6
97.06602	13.8
98.03741	1.3
107.01375	0.8
109.02943	1.1
109.06606	1.0
113.06097	8.3
121.02969	1.0
121.06600	1.5
123.08192	1.3
135.08130	1.5
136.43933	0.5
137.08797	0.6
137.09735	14.4
138.10059	0.8
139.07683	2.0
139.11295	1.0
149.09706	3.1
151.00386	4.6
151.11301	1.2
153.09229	10.7
154.09608	0.6
161.09781	0.6
163.00328	1.5
163.11340	1.2
165.12822	6.3
177.12848	1.6
178.99892	2.3
179.10825	1.0
193.12222	1.2
195.13908	27.8
196.14235	2.0
201.12825	0.9
209.15466	1.9
209.94629	0.5
211.03947	0.7
219.13907	4.5
226.02730	0.6
227.03560	1.0
229.05060	0.6
237.14954	100.0
238.15231	7.5
238.17238	0.7
239.03354	0.6
239.12889	7.8
243.03018	2.2
245.04535	1.3
254.02298	0.7
255.02968	7.0
255.51120	0.6
256.03329	0.8
271.02423	13.2
272.02927	1.4
273.03741	0.7
281.13925	47.4
282.14221	4.6
300.02737	25.8
301.03500	23.4
302.03842	2.4
369.56750	0.5
433.07758	40.8
434.08109	5.3
474.28824	0.6
519.53857	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	21.7
58.03773	0.8
59.01374	1.3
69.58242	3.6
71.01387	2.7
72.02160	1.2
81.07090	1.4
83.05030	17.8
84.05374	0.7
85.02931	0.8
87.04520	60.1
88.04858	1.9
95.05047	2.2
96.95977	0.6
97.05970	0.7
97.06599	12.5
98.03730	1.5
107.01393	0.7
109.02945	0.8
109.06604	1.1
113.06099	8.0
121.06618	1.0
123.08195	0.9
135.08171	1.3
137.09737	14.9
138.10077	0.8
139.07677	1.7
139.11209	0.5
147.02953	0.6
148.01729	0.6
149.09718	3.0
151.00377	2.6
151.11285	0.7
153.09221	10.1
154.09546	0.9
161.09715	0.8
161.16829	0.5
163.00362	0.8
163.11325	0.7
165.12857	5.6
177.12859	1.9
178.99925	1.5
179.10776	1.1
193.12303	0.9
195.13904	24.4
196.14246	1.7
201.12915	0.6
209.15485	1.6
211.04005	0.6
219.13919	4.5
227.03534	0.5
237.14944	100.0
238.15288	8.2
239.12862	6.3
243.03012	2.4
245.04576	0.4
254.02278	0.6
255.02953	6.2
256.03424	0.5
271.02441	11.6
272.02921	1.5
281.13922	46.2
282.14215	4.1
300.02737	27.9
301.03448	14.2
302.03827	1.3
340.83768	0.5
433.07742	40.3
434.07971	5.3
523.45190	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08627	0.5
61.98832	18.4
67.88093	0.6
68.00006	0.5
68.32174	0.5
70.08924	2.7
83.01409	0.7
89.55667	0.4
95.55984	0.5
107.01413	2.0
108.02187	1.2
109.02969	0.6
114.82914	0.5
121.02950	0.9
135.00868	0.8
148.01717	1.1
151.00394	7.9
157.43887	0.5
163.00397	1.7
169.01456	0.7
175.04076	0.7
178.99869	4.1
187.04036	0.6
190.76384	0.6
199.03972	0.8
211.03918	0.8
213.47348	0.6
216.04227	0.6
226.02710	1.5
226.31931	0.5
227.03421	2.2
243.02995	10.7
244.03304	0.8
245.04596	0.7
250.05211	0.6
254.02261	2.0
255.02974	28.1
256.03250	2.6
271.02469	59.3
272.02908	5.6
277.21848	0.7
283.02466	1.1
299.02005	1.3
300.02753	100.0
301.03363	24.9
302.03857	1.5
693.29340	89.6
694.29700	22.8
694.41980	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23303	0.3
55.01873	1.4
57.03448	12.4
58.00590	0.5
59.01096	0.7
59.01376	6.3
62.55970	0.3
68.25983	0.3
68.99814	1.1
69.26617	0.3
69.92366	2.1
70.24168	0.3
71.01378	6.5
72.99304	2.1
73.02942	0.5
75.00874	1.9
83.01382	2.1
84.02161	2.1
85.02955	91.4
86.03290	2.6
87.00870	1.5
87.03387	0.4
89.02452	2.3
89.79346	0.3
90.88627	0.4
96.96018	1.4
101.02455	1.0
103.00368	1.6
110.24605	0.3
111.00889	4.4
115.00374	0.9
124.76752	0.3
129.01962	7.1
133.01440	3.6
134.03726	1.7
135.04544	2.3
145.01450	0.4
147.03015	9.2
166.33369	0.4
173.00877	2.6
179.03500	0.8
191.01985	51.0
192.02289	2.2
193.05078	0.8
206.13257	0.4
209.03030	100.0
210.03378	4.2
211.03561	0.4
234.65852	0.4
284.52026	0.4
367.06665	1.0
371.06158	11.0
372.06528	1.6
385.07733	15.0
386.07965	1.7
480.76599	0.4
626.63245	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.207
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01650	0.4
54.71427	0.4
57.03463	0.4
59.01385	1.0
61.90012	0.5
63.02392	0.5
65.00320	0.9
69.44391	3.8
69.44794	0.6
70.48624	0.4
71.01385	1.0
83.01402	0.9
84.66365	0.5
85.02952	2.9
96.96035	2.6
107.01386	1.9
108.02206	1.6
119.05038	0.5
121.02979	0.6
129.01938	0.9
131.07094	0.4
135.00948	0.5
146.33878	0.4
148.01718	1.2
151.00385	5.3
153.01883	0.5
163.00407	0.7
163.04063	0.8
164.01169	0.6
173.00958	0.6
178.99907	3.3
191.01935	1.9
193.05096	0.5
194.60132	0.4
199.04066	1.1
209.02989	0.4
211.04037	0.6
212.01631	0.4
212.23004	0.4
215.03471	0.7
216.04362	0.8
223.04620	0.5
226.02757	1.7
227.03586	2.7
229.05313	0.4
241.00240	0.8
243.02985	11.6
244.03432	0.6
254.02182	2.1
255.02983	26.7
256.03366	2.0
271.02454	60.5
272.02896	6.4
299.02029	2.7
300.02747	100.0
301.03256	13.4
301.06769	0.5
337.05807	0.7
357.10001	0.8
394.04416	1.1
443.70502	0.4
465.14490	1.3
755.20709	68.9
756.20959	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.1
55.27934	0.2
57.03447	13.2
58.03769	0.3
59.01377	4.8
68.99811	0.9
70.91190	0.5
70.91527	0.5
71.01385	4.3
72.99313	1.4
73.02962	0.6
75.00876	1.8
81.03466	0.3
83.01398	2.6
84.02176	2.7
85.02958	100.0
86.03301	2.7
87.00885	1.3
89.02451	0.5
95.05034	0.8
95.74000	0.3
96.96014	2.9
98.20496	0.4
99.00871	0.8
101.02462	1.0
103.00394	1.1
105.03461	2.3
111.00900	5.7
115.00397	1.1
119.05055	0.7
123.04536	1.3
125.02433	0.7
129.01968	10.6
131.03581	0.6
133.01433	1.1
133.02971	9.2
134.03807	1.6
135.04544	0.8
147.03018	19.2
148.03357	0.8
151.04041	0.3
163.03990	0.8
173.00928	2.3
174.07799	0.3
177.01945	3.1
187.47496	0.3
191.01999	69.2
191.82375	0.3
192.02357	2.7
193.05141	0.8
195.02995	1.1
205.03569	4.1
209.03043	23.5
210.03394	0.8
219.06554	0.4
223.04590	8.4
241.00134	0.4
279.05252	0.3
287.38654	0.3
319.71246	0.3
351.03760	0.6
355.06659	5.0
356.07077	0.4
357.09735	1.0
367.06628	0.6
368.98340	1.1
369.04617	6.2
369.08496	1.5
370.04840	0.7
385.07700	7.1
386.08078	1.2
399.09656	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.1
59.01376	1.8
61.98830	100.0
62.98546	0.2
71.01398	0.7
71.31096	0.2
72.99306	0.1
73.02953	0.4
75.00875	0.1
78.95896	0.2
83.01395	0.2
85.02981	0.2
87.00912	0.3
89.02477	0.2
90.71324	0.1
93.71816	0.1
96.96050	0.5
101.02477	0.4
113.02486	0.4
116.92890	0.2
122.88978	0.1
125.02448	0.2
126.05529	0.1
140.54520	0.1
147.04546	0.1
148.14998	0.1
151.07701	0.3
175.49834	0.1
176.88194	0.1
183.10344	0.2
240.60638	0.1
240.63942	0.1
304.85184	0.1
330.06003	0.1
353.95587	0.1
454.43698	0.1
463.34445	0.1
609.37665	0.2
669.38934	0.2
710.41608	0.2
711.39911	0.2
754.38110	0.2
755.32025	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.6
60.48603	0.3
61.98827	0.9
68.93150	0.3
71.01379	1.2
71.43014	0.7
71.59319	0.3
72.69376	0.3
72.99314	2.8
73.02959	0.5
75.00877	100.0
75.48645	0.3
76.01209	0.6
85.02968	0.3
87.00849	0.4
89.02459	1.4
91.13065	0.3
96.95998	0.4
97.02935	0.3
101.02486	0.9
106.84375	0.3
113.02460	0.6
113.64172	0.3
125.02460	0.5
161.04465	0.4
188.37546	0.3
235.08289	1.0
277.21738	3.7
278.22205	0.4
362.35831	0.3
397.08337	0.4
397.13553	7.9
398.13940	0.6
415.14584	2.3
633.05280	0.4
675.36041	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00800	0.1
59.01375	1.2
59.51619	0.1
61.98817	0.8
69.03465	0.2
69.85861	1.0
71.01377	1.1
72.99315	3.3
73.02962	0.2
73.33997	0.1
73.99673	0.2
75.00878	100.0
76.01213	1.2
82.92627	0.1
85.02959	0.2
87.00909	0.2
89.02448	0.9
97.02953	0.3
98.20631	0.2
101.02451	0.9
113.02467	0.4
125.02451	0.6
139.70576	0.1
160.13669	0.1
161.04433	0.1
179.05565	0.2
201.16815	0.1
215.66281	0.1
235.08070	0.7
277.21722	3.0
278.22101	0.4
305.08572	0.2
305.22308	0.2
397.13522	6.4
398.13977	0.7
415.14566	2.1
416.15088	0.2
534.75366	0.1
553.31506	0.2
666.42584	0.2
675.36316	0.2
676.37000	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.7
57.03447	4.5
58.00605	0.9
59.01378	33.5
61.98832	5.5
67.01878	1.2
68.99818	1.6
69.03447	1.9
69.50500	4.8
71.01385	25.3
71.05013	0.7
72.99314	5.8
73.02944	6.0
75.00878	16.0
78.95906	3.2
79.95734	1.4
80.96502	0.8
83.01402	3.1
83.05027	0.7
83.23170	0.5
84.02166	0.6
85.02959	24.9
86.00047	0.5
86.03271	1.0
87.00885	7.2
89.02449	4.6
91.03993	0.4
93.03453	0.8
95.01396	4.8
95.95245	0.9
95.96193	0.5
96.96021	17.1
96.96965	0.9
97.02968	0.6
98.95600	1.2
99.00893	9.5
99.04514	1.2
101.02455	6.7
103.00368	2.1
109.02978	1.2
111.00886	1.1
111.04488	0.9
113.02462	19.5
115.00379	2.1
117.01942	1.5
119.03485	0.5
119.05083	1.1
120.01239	0.7
123.04555	0.6
125.02483	1.1
129.01918	2.1
131.44000	0.5
134.94083	0.5
135.04532	0.5
139.00327	0.6
143.03519	0.7
149.02496	0.5
149.04555	0.8
149.06065	0.7
150.03249	0.6
151.03932	0.4
157.01447	0.8
159.03055	0.6
159.99680	0.4
161.02470	0.8
161.04599	1.1
161.06078	1.1
165.01945	0.6
165.05530	0.9
175.02534	2.2
175.03816	0.5
189.05640	0.5
191.01973	1.4
195.06619	1.0
227.12859	1.0
231.05109	0.7
233.15437	0.6
235.17021	7.3
241.00241	1.0
249.06126	9.2
250.06395	0.9
251.16542	2.2
257.13031	0.5
259.02396	0.6
267.07190	3.3
326.27335	0.5
395.20773	1.3
406.88885	0.6
413.21759	4.6
414.22137	0.8
455.22723	2.3
485.24014	3.3
573.29193	0.7
602.36005	0.7
617.28375	0.6
663.29108	1.8
687.28784	1.3
705.29919	100.0
706.30188	21.8
731.21790	0.7
749.36975	13.1
750.37976	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	748.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	12.1
58.02976	3.7
59.01093	0.7
59.01380	12.6
66.03510	0.4
69.03458	0.6
69.90134	2.2
71.01380	1.2
72.00897	0.4
73.02943	0.8
73.53221	0.3
74.02475	8.7
77.29103	0.3
81.04575	0.6
82.02993	0.8
83.01386	0.5
83.05032	0.6
85.02953	6.0
86.02480	4.1
86.06125	0.5
87.05644	1.1
96.96016	3.9
97.04092	0.8
97.06604	0.4
97.33719	0.4
98.02502	0.4
99.04552	1.1
99.05654	6.5
101.07217	1.2
102.05634	1.5
106.82165	0.4
107.06187	0.6
109.03116	0.3
109.04092	1.4
109.05896	0.5
109.06612	8.4
111.04530	4.3
111.05658	0.6
112.04097	0.8
112.04819	0.4
121.06616	0.8
123.05709	0.6
123.08185	1.4
124.04059	0.4
125.03554	1.9
127.05150	1.2
128.03555	24.6
129.03896	0.8
133.06961	4.7
135.05667	3.3
135.08177	11.0
136.08524	0.8
137.07167	0.5
137.09749	7.3
138.06866	1.6
138.10049	0.5
139.05309	0.4
141.06668	1.1
143.04637	31.1
143.65755	0.5
144.04987	1.0
145.06180	1.5
146.04607	3.7
147.29437	0.4
149.09729	2.7
153.06773	1.8
153.09261	3.9
153.10374	0.7
155.08287	0.5
163.11307	5.6
164.11638	0.5
166.09888	1.2
167.04633	1.9
167.08281	2.9
167.10744	3.3
170.03319	1.0
171.04097	1.0
175.07703	0.4
175.11349	1.0
177.09224	14.2
178.09515	1.4
179.04633	9.1
180.04953	0.4
181.06239	1.0
185.05698	1.0
191.02011	1.0
191.10783	3.2
192.07797	0.7
193.12344	49.8
194.12677	5.3
197.05786	1.1
205.03537	0.4
209.02983	0.7
210.08844	7.9
211.13403	18.3
212.13760	2.1
217.12376	2.5
217.14140	0.4
222.42540	0.5
235.13368	10.6
236.13715	1.5
241.00140	0.5
253.14439	9.6
254.07806	9.5
254.14832	0.8
255.08134	0.8
255.12370	1.0
272.08853	11.4
273.09125	0.9
277.12323	2.5
297.13425	6.1
298.13925	0.7
306.07639	1.7
307.07855	0.8
308.07355	2.5
329.09027	0.6
341.09097	0.7
344.72516	0.4
388.15479	5.9
389.15997	0.9
390.16730	0.5
406.16528	100.0
407.16818	11.7
457.49838	0.4
469.08667	0.4
492.10434	0.4
647.47070	0.4
720.41351	0.4
748.18494	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.9
60.11042	1.0
64.36458	0.9
65.00327	1.1
68.99817	1.1
71.01362	1.3
71.72121	1.6
73.02953	1.3
82.03008	1.0
85.02977	1.8
86.94996	0.9
87.69500	1.0
91.21236	0.9
93.03472	2.1
96.96025	10.0
101.02469	1.1
108.02150	1.0
109.02962	7.1
120.01237	1.8
121.02985	7.3
123.00835	1.1
124.01686	1.3
133.02945	1.5
137.02466	1.9
139.04001	2.2
145.02945	2.7
148.01648	2.3
149.02478	4.8
150.03264	1.3
151.00356	2.9
151.03925	1.0
159.04500	1.0
161.02411	3.0
163.00345	3.6
163.03915	1.4
165.01884	1.2
165.05565	1.2
175.00372	10.6
176.01064	2.0
177.01926	6.4
188.01154	2.3
189.01994	6.7
189.03362	1.2
201.01857	1.7
204.06726	1.3
205.01393	1.2
211.03951	1.9
215.03537	1.7
217.01328	1.2
225.05661	1.1
226.05075	2.0
227.03517	1.9
228.03035	2.9
228.06635	4.6
230.04659	1.0
231.02849	1.0
240.04301	1.4
241.04930	1.4
242.02121	1.3
243.02870	2.5
243.05157	1.5
244.06097	1.5
246.07677	3.4
253.05078	2.2
255.02838	2.8
256.02524	1.2
256.06104	1.9
265.05038	3.3
267.02921	1.2
269.04593	4.8
270.01691	1.9
271.02399	5.3
271.04822	1.8
272.05585	7.6
274.07153	1.1
279.02994	1.3
281.04453	1.5
283.02481	10.5
284.03094	1.9
285.04080	1.5
293.04541	2.8
295.02515	2.9
297.04080	13.5
298.04303	3.0
299.01889	7.0
300.02655	3.2
301.03613	1.8
309.04144	1.9
311.02036	1.3
311.05423	2.7
312.02658	3.5
313.03543	12.7
314.03818	1.5
320.09256	3.0
321.09692	2.1
325.03571	18.9
326.04321	17.1
327.05081	12.9
328.05539	1.6
338.04355	7.8
339.05099	17.6
340.05511	2.9
348.08713	1.7
350.10010	1.1
362.06757	11.1
363.07205	1.1
376.08249	8.8
377.08780	4.9
378.05798	1.4
378.09683	3.3
379.10699	1.1
390.03738	1.2
393.08621	1.5
394.09482	1.9
395.10110	28.5
396.10876	29.3
397.11017	2.7
406.05566	5.2
421.08038	20.0
422.08786	12.9
440.09808	3.5
453.18005	4.6
454.18378	2.2
473.10785	7.1
485.10657	1.5
542.16602	46.1
543.17139	7.6
553.67468	1.1
558.16589	2.7
568.14648	100.0
569.14966	15.9
586.15710	55.1
586.25104	2.4
587.15814	9.6
601.14215	3.2
602.14648	2.5
704.22076	2.9
748.21161	57.6
749.21375	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	747.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29949	1.4
57.01757	1.2
59.01377	100.0
61.98819	4.3
71.73104	1.8
78.95898	2.0
82.58249	1.2
109.16590	1.1
118.51465	1.2
168.37157	1.3
210.52992	1.4
277.21341	1.5
370.72867	1.6
440.47079	1.5
455.17117	2.2
473.18066	2.7
511.15848	2.1
512.13135	9.2
513.13287	2.8
526.15021	9.1
527.15399	6.4
599.18530	1.4
601.19525	2.6
613.19397	1.9
614.20288	64.5
615.20380	18.1
632.17340	1.3
646.19489	10.1
647.19653	3.9
687.23370	3.7
747.25311	52.8
747.38428	2.9
748.25812	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01907	1.1
57.03454	3.5
58.00609	1.1
59.01380	22.4
59.53234	0.5
61.22073	0.6
61.98832	18.6
63.02444	1.2
65.00376	0.6
67.01931	0.6
69.03458	3.2
71.01385	14.6
71.05058	0.7
71.73125	1.1
72.01745	0.6
72.99316	4.3
73.02953	5.1
74.02535	0.7
75.00873	9.1
78.95924	1.6
79.95802	1.8
80.96520	0.6
83.01459	2.2
83.54361	0.6
85.02962	14.8
85.06612	0.8
87.00898	4.3
88.98860	1.2
89.02442	3.4
95.01379	2.9
95.95304	1.8
96.96027	20.6
97.02989	0.7
97.06618	0.7
98.95660	0.6
99.00899	6.3
99.04573	0.8
101.02454	4.8
103.00426	1.3
104.30098	0.6
107.01419	1.2
108.02186	0.6
109.03037	1.8
111.00963	1.2
111.04575	0.9
113.02453	12.3
115.00466	1.9
117.02013	1.7
119.05121	1.0
120.01300	0.8
121.03056	0.8
125.02474	0.9
127.04118	1.1
129.02014	1.1
131.03564	0.8
133.03023	1.7
135.08195	1.6
136.05380	0.7
137.09747	7.0
138.38234	0.7
138.97136	0.8
139.11319	3.4
141.09311	1.9
143.04880	0.7
145.03014	0.9
149.04668	1.1
149.06081	0.5
150.03322	0.9
151.00450	2.6
151.04086	0.6
155.10805	46.9
156.11197	2.6
157.01454	0.8
165.05663	1.0
167.03546	1.1
171.04556	2.1
174.01770	0.7
175.02519	1.5
175.04015	1.4
181.08789	2.0
183.04445	0.7
183.10330	2.7
187.03906	1.5
191.01875	0.7
195.06659	1.2
198.03096	0.6
199.04019	5.6
199.09778	13.1
200.10078	0.7
201.02101	1.7
215.03552	2.8
226.02716	1.1
227.03531	3.8
234.19498	0.7
241.00320	0.9
242.02333	0.9
243.02985	4.2
249.06145	3.6
255.03033	2.8
267.07324	0.9
271.02478	41.7
272.02768	3.6
273.13461	4.7
299.01987	100.0
300.02374	11.8
301.03387	2.5
329.13943	1.0
349.16345	0.6
386.59753	0.7
387.16586	1.5
445.07825	1.5
447.09152	1.8
448.09726	0.7
449.16602	2.6
449.27194	0.8
491.28741	0.8
513.30499	0.7
541.29877	2.5
550.72119	0.6
596.60876	0.7
615.26697	52.4
616.26941	9.8
687.39966	0.9
703.39069	1.4
704.38678	1.0
747.31073	39.0
748.31696	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	746.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84842	0.2
57.03449	0.5
59.01377	6.2
61.98838	2.1
63.96230	0.2
65.02171	0.2
68.99799	0.2
69.03459	0.3
71.01386	4.5
71.73680	0.3
72.99315	0.6
73.02956	0.6
74.02488	0.3
75.00864	0.9
79.95745	0.6
83.01404	0.5
85.02964	2.4
87.00901	1.0
89.02457	4.0
95.01393	0.6
96.96021	4.0
99.00893	0.6
99.04583	0.3
101.02467	1.7
109.03008	0.2
111.00854	0.2
111.04533	0.5
113.02471	2.1
119.03525	1.4
120.01268	100.0
121.01683	1.7
121.02975	0.5
122.03763	0.2
123.04534	0.2
125.02481	0.3
129.01947	0.3
131.03560	0.2
134.03741	0.5
135.04549	0.3
137.02451	0.3
143.03551	0.3
149.02460	0.7
149.04573	0.4
150.03258	1.5
151.03781	0.3
151.07681	0.3
152.01151	0.6
160.04097	0.6
161.04544	0.6
163.03995	0.4
164.04823	0.3
165.01889	0.2
165.05565	1.5
166.02650	0.2
167.03490	0.8
175.02524	0.2
175.03976	0.4
179.05736	0.9
180.04231	0.2
181.05080	0.3
188.13695	0.2
191.01987	0.3
193.08707	0.2
195.06639	0.9
203.76936	0.2
207.06564	0.2
209.03004	0.2
220.09827	0.4
222.99565	0.2
227.08243	0.4
239.08176	0.3
241.00304	0.3
241.05481	0.3
241.09872	0.5
242.10626	0.2
245.09283	0.5
249.06233	0.6
253.06151	0.7
255.11365	0.2
267.07324	1.0
281.09351	0.7
289.11200	0.2
294.09924	0.2
296.11816	0.3
327.08990	0.2
328.10602	0.3
346.20935	0.2
371.14899	0.2
388.14957	0.3
499.17758	0.2
535.18457	0.3
536.20239	0.5
537.21454	0.7
584.21960	0.3
667.22772	0.4
667.33868	0.2
685.39069	0.3
714.25256	3.0
715.25916	0.9
729.30310	1.8
746.26685	1.7
747.31018	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	743.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65687	0.7
55.01847	1.1
57.03447	4.5
59.01380	59.9
61.98816	3.3
64.01078	0.8
69.03455	3.2
70.09928	4.5
71.01386	29.2
72.99315	7.2
73.02952	9.3
75.00876	17.1
79.95413	0.6
79.95742	6.6
80.96512	1.4
83.01396	3.9
85.02437	1.6
85.02962	31.6
87.00890	6.5
89.02444	7.8
93.03459	0.9
95.01394	5.9
95.95238	4.9
96.96024	80.3
97.02960	1.2
99.00890	11.0
99.04536	1.7
101.02464	12.9
103.00375	2.4
111.00870	1.6
111.04485	0.8
113.02462	22.0
115.00369	2.2
116.92865	2.6
117.01913	2.4
117.03458	2.9
119.03474	2.2
119.05019	2.3
121.03014	1.9
123.04551	1.0
125.09668	0.8
129.01953	5.1
131.03503	0.8
134.03810	1.1
135.02983	0.7
135.04552	1.9
137.02478	1.2
138.97063	3.3
143.03470	0.8
149.04539	1.1
152.07231	0.8
157.01396	1.4
159.02960	1.3
161.04565	1.9
162.03288	1.0
162.45976	0.7
163.03987	1.2
165.01900	0.8
175.02461	2.1
177.04054	9.7
179.03448	1.6
180.04269	1.1
191.01990	2.1
194.99626	1.0
198.99170	1.0
199.09761	3.8
205.05173	0.7
231.05003	1.9
235.17033	11.4
241.00204	6.4
241.10818	6.2
249.06151	15.3
251.16371	1.8
255.06514	1.0
256.99738	5.6
267.07080	3.4
296.66946	0.8
359.14893	1.6
413.21844	11.5
414.22275	1.7
449.16196	5.9
533.18030	5.4
534.18542	0.9
629.55066	0.9
663.28760	53.4
664.29022	7.8
732.38715	0.9
732.51831	0.9
743.24347	100.0
744.24554	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	745.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.0
55.71738	0.5
57.03456	1.4
58.00602	4.4
59.01379	100.0
60.01722	1.0
61.98825	3.0
69.03461	1.1
69.99763	3.2
71.01386	76.1
71.52699	0.6
72.01699	1.0
72.99310	6.5
73.02950	2.6
75.00874	1.4
79.95753	1.9
80.66156	0.5
83.01387	2.6
85.02957	14.1
87.00886	4.7
89.02453	91.0
90.02792	2.3
95.01402	6.0
95.95253	0.8
96.96021	22.6
97.02973	0.7
99.00874	1.5
101.02455	33.6
102.02783	1.2
105.89449	0.5
108.02203	0.7
113.02462	29.4
115.00307	0.5
119.03519	32.7
120.01225	0.8
120.03838	0.6
121.02966	1.7
122.03747	0.7
123.04527	0.6
125.02415	1.1
131.03514	4.2
134.03751	0.7
135.04521	1.2
136.01688	1.4
138.97050	0.9
143.03537	8.3
146.03694	0.6
149.02432	1.4
149.04549	2.9
149.06029	0.7
150.03189	2.0
151.00397	0.7
151.03964	1.4
152.01140	1.3
153.05525	0.5
160.04004	1.3
160.05261	0.6
161.04572	8.1
161.05876	1.0
162.03265	0.7
163.03995	0.7
163.07651	0.6
164.04774	1.0
165.05515	1.4
165.09186	0.8
166.02695	1.0
167.03470	2.1
175.02542	0.7
175.04004	1.2
177.01973	0.5
177.05556	1.5
179.05630	25.5
179.07091	1.3
180.05910	0.6
181.05031	1.2
189.05580	0.7
190.02748	0.8
192.94609	0.5
193.05038	0.8
195.06573	0.8
205.05074	0.6
207.06552	0.9
241.00201	0.8
290.22650	0.5
356.12714	0.5
386.13556	1.6
387.14078	1.9
524.20038	0.5
533.12634	0.5
535.19696	10.0
536.19543	1.3
565.19879	0.8
634.98108	0.5
701.17542	0.8
701.37433	1.1
745.16071	1.4
745.31738	5.9
746.32263	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.7
60.99307	15.6
61.98821	1.2
67.50200	0.3
71.01366	0.4
71.73248	0.5
87.00875	1.6
88.00410	4.0
88.86811	0.3
88.98813	100.0
89.02445	15.9
89.99146	1.3
96.96025	0.4
103.96832	0.3
255.23254	0.8
368.64627	0.3
397.13580	1.4
535.60059	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.3883
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.3
61.98831	100.0
62.98535	0.2
69.46635	0.7
69.47045	0.2
71.01390	0.2
89.02457	0.3
99.53306	0.1
101.02441	0.3
113.02478	0.1
161.04619	0.1
201.11299	0.5
202.11703	0.2
209.11826	1.4
210.12199	0.5
219.39348	0.1
227.12959	0.3
235.08199	0.2
238.20088	0.1
253.09334	0.3
277.21686	1.8
278.22076	0.9
281.24936	0.2
282.25336	0.2
283.25726	0.1
397.13574	0.2
398.13934	0.2
399.14258	0.4
400.14664	0.2
426.40350	0.1
505.26105	0.1
722.18658	0.1
742.44708	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48004	0.4
53.06315	0.4
55.01881	3.5
55.87305	0.4
57.01016	0.4
57.03449	20.7
59.01377	3.2
64.75185	0.4
67.01883	1.0
68.26452	0.4
68.78370	0.4
68.99806	0.6
69.79358	3.4
71.01384	6.9
72.99324	2.2
73.02950	2.5
75.00875	1.7
76.39088	0.4
81.03476	0.7
83.01395	8.0
83.05023	1.0
84.02147	2.1
85.02958	100.0
85.06593	0.8
86.03281	2.9
87.00864	1.0
89.02446	0.5
96.96038	2.9
98.19918	0.8
99.00911	1.2
99.04519	0.5
99.08208	0.7
101.02453	5.4
109.06658	0.5
111.00894	28.2
112.01245	1.3
113.02412	0.6
114.63715	0.5
115.69286	0.4
117.03505	1.0
119.05046	0.6
123.08172	0.5
125.02435	1.1
129.01958	49.4
130.02303	1.8
134.02725	0.5
134.03749	8.6
137.09702	0.9
139.11304	0.6
141.34050	0.4
143.03548	0.5
147.03004	1.8
149.06120	1.1
149.09724	1.3
151.11316	0.7
153.09247	0.6
155.10866	0.8
160.01714	0.5
161.04552	4.5
162.39719	0.5
163.04039	1.0
163.11353	0.7
165.12822	0.7
169.12343	2.9
173.00955	1.2
175.04015	1.1
177.12886	0.6
181.12418	0.5
187.02478	3.4
191.01994	3.7
192.02263	0.7
193.05058	6.8
193.12329	0.8
194.05415	0.5
195.13911	35.9
196.14148	2.2
205.03539	58.0
206.03844	2.2
209.03055	3.0
209.15497	0.4
211.13411	0.5
223.04584	33.6
224.05011	1.0
255.12222	0.6
255.16078	2.7
256.43259	0.5
257.13947	0.7
261.72586	0.4
275.63083	0.5
299.14899	3.7
300.15506	0.4
337.05692	2.3
373.11710	0.7
381.08298	0.6
385.11884	0.6
399.09326	38.8
400.09702	4.6
402.22296	0.5
432.56378	0.5
523.09998	0.5
730.75470	0.4
743.26422	0.7
744.23010	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.3
60.99307	0.3
61.98831	100.0
62.98538	0.1
62.99263	0.1
71.01384	0.3
71.30470	0.1
71.30814	0.1
87.00896	0.3
88.00404	0.3
88.98816	1.8
89.02450	0.5
96.02479	0.1
101.02457	0.2
113.02513	0.1
164.51566	0.1
168.94203	0.1
201.11264	0.5
202.11728	0.1
209.11844	1.0
210.12172	0.3
227.12914	0.1
253.09340	0.1
277.21774	0.7
278.22159	0.5
281.24911	0.3
282.25278	0.2
283.25537	0.1
284.25677	0.1
397.13589	0.2
398.13925	0.3
399.14078	0.4
400.14413	0.2
415.14523	0.1
416.14987	0.1
417.15045	0.2
496.39972	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.6
57.03448	38.2
58.03790	0.9
59.01377	27.7
59.24327	0.8
67.01891	1.2
69.03465	0.9
69.38795	3.8
69.39227	4.8
71.01385	8.3
72.99309	1.9
73.02959	2.9
75.00880	1.7
78.95885	1.0
83.01395	7.6
84.02185	2.5
85.02962	100.0
86.03312	2.5
87.00882	1.8
96.96021	8.4
98.20645	1.6
99.00900	1.4
99.04546	2.6
101.02464	5.2
103.94207	0.6
105.74465	0.7
109.06590	13.6
111.00893	25.4
111.04527	7.5
113.02421	0.9
117.03483	0.8
119.05059	1.4
123.08170	1.3
125.06039	1.2
128.03532	1.7
129.01962	49.2
130.02312	1.4
134.03758	9.0
135.08179	18.7
136.08524	0.9
137.09738	11.1
138.05733	0.8
138.06857	2.7
143.04675	1.4
145.02979	1.1
147.03004	2.4
149.06120	1.3
149.09692	5.0
153.09239	6.1
161.04572	2.9
163.04004	1.0
163.11290	8.9
167.10780	7.8
173.00941	1.3
175.04070	1.0
177.09227	23.5
178.02765	1.3
178.09610	2.3
179.10776	1.1
187.02446	2.1
191.02010	11.7
191.10797	5.0
193.05064	7.4
193.12349	87.4
194.12677	8.4
205.03545	47.4
206.03874	1.3
209.03035	3.0
211.13402	34.0
212.13667	2.1
217.12285	3.5
223.04591	33.7
224.04861	1.3
235.13379	19.9
236.13737	1.5
253.14456	19.4
254.14798	1.9
255.12337	2.3
266.06516	1.2
297.13397	10.5
298.13602	1.6
306.07761	4.3
329.09280	1.1
357.09644	0.9
367.06723	0.9
386.00214	0.8
399.09314	29.7
400.09756	3.2
591.79559	0.8
741.24323	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	741.226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.5
57.03447	39.8
59.01376	24.1
64.53031	0.6
67.01893	1.2
68.99818	0.9
69.03442	0.9
69.40736	0.8
69.41074	8.1
71.01382	5.5
72.99329	0.9
73.02951	2.3
75.00872	1.7
77.03127	0.6
83.01389	7.8
83.04994	0.7
84.02162	2.2
85.02958	100.0
86.03305	2.2
87.00880	2.2
89.02448	0.7
94.28609	0.8
96.96014	5.5
98.19953	1.7
99.00890	1.3
99.04525	3.1
99.19978	0.7
101.02474	3.9
109.06606	12.9
111.00897	26.7
111.04533	6.3
112.01232	0.8
113.02460	0.9
117.03479	0.8
119.05052	1.0
123.08172	2.4
125.02402	0.8
125.06087	1.1
128.03519	0.7
129.01958	50.1
130.02266	0.7
130.99532	0.7
134.03769	10.2
135.08177	18.2
136.08481	1.2
137.09743	12.6
138.06865	2.0
143.04604	1.2
147.03043	2.1
149.06105	1.1
149.09737	4.1
153.09238	6.9
154.09538	0.8
161.04588	4.0
163.03943	0.8
163.11304	8.2
167.10783	7.8
175.03987	1.0
175.11250	0.9
177.03896	0.8
177.09222	25.0
178.02731	1.2
178.09601	1.9
179.10815	1.0
187.02501	2.2
191.02003	8.5
191.10774	4.7
193.05086	9.0
193.12343	89.6
194.12610	5.4
205.03542	47.8
206.03877	2.4
209.03029	3.0
209.45984	0.7
211.13399	34.8
212.13759	2.8
217.12343	4.3
220.29539	0.7
223.04594	39.2
224.04881	2.0
235.11179	1.4
235.13409	22.7
236.13736	2.3
253.14407	16.7
254.14778	1.7
255.12399	2.0
256.09741	0.7
259.33798	0.7
297.13419	9.5
298.13766	1.0
306.07703	2.8
357.10049	1.0
399.04050	1.6
399.09293	33.9
400.09387	3.4
741.25879	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.6
57.03448	14.3
59.01376	6.5
68.99812	1.2
69.10563	0.4
69.87240	0.4
71.01379	6.0
71.18035	1.0
72.99312	1.4
75.00881	1.6
76.49713	0.5
81.51061	0.3
83.01374	2.8
84.02171	2.5
85.02957	100.0
86.03292	3.3
87.00880	1.7
89.02441	2.2
95.44617	0.4
99.00877	0.5
101.02407	0.5
103.00378	2.1
105.14615	0.4
111.00889	4.9
115.00374	1.0
119.05030	1.0
129.01962	8.8
133.01453	3.2
134.03752	1.8
145.01404	0.4
147.03015	13.1
163.03963	0.7
173.00960	2.2
173.90143	0.4
175.27592	0.4
191.01985	66.2
192.02400	2.9
193.04999	0.5
209.03030	87.4
210.03369	3.1
216.65367	0.4
337.05670	0.7
355.06702	23.3
356.07141	2.0
367.06952	0.7
385.07770	12.3
386.08240	1.4
398.83337	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06899	0.4
54.13709	0.3
54.97973	0.4
55.01871	1.8
55.10990	0.4
55.71980	0.4
57.03448	13.2
59.01373	6.6
65.30274	0.4
68.15233	0.4
68.99815	1.1
71.01376	5.8
72.99302	1.7
73.02943	0.8
75.00883	1.9
75.97803	0.4
83.01392	2.0
84.02169	2.7
85.02954	100.0
86.03284	2.1
87.00888	0.9
89.02455	1.6
101.02443	1.0
103.00374	1.4
111.00881	4.1
115.00386	1.2
119.05038	1.2
129.01949	8.6
133.01451	2.8
134.03729	1.6
147.03006	10.5
148.03304	0.5
163.04048	1.0
173.00920	2.5
191.01985	55.9
192.02303	1.7
193.05072	1.1
209.03027	58.7
210.03345	2.1
223.04546	0.8
265.84641	0.4
301.08310	0.4
355.06693	15.1
356.07010	1.6
367.06970	0.9
385.07751	10.2
385.63446	0.5
386.07996	1.3
399.09106	0.6
405.38770	0.4
459.20038	0.4
470.27216	0.4
694.60052	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3724
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.2
61.98829	100.0
62.98536	0.3
62.99270	0.1
66.97079	0.1
71.01401	0.1
73.02933	0.1
77.05759	0.0
78.95915	0.1
87.00922	0.1
89.02443	0.1
95.31580	0.0
101.02490	0.1
113.02504	0.1
116.92918	0.1
152.99602	0.1
211.13489	0.1
219.00200	0.1
229.19167	0.1
235.08337	0.1
277.21805	0.2
279.23267	0.2
280.23758	0.3
281.23975	0.2
282.24319	0.1
293.21063	0.1
397.13257	0.1
398.13919	0.2
399.14096	0.3
400.14462	0.1
417.15070	0.1
418.15561	0.1
505.25851	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3718
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90741	0.1
59.01382	0.4
61.98831	100.0
62.98538	0.2
69.96552	0.2
69.96964	0.4
71.01392	0.3
83.01371	0.1
84.42969	0.1
87.00896	0.1
89.02455	0.2
101.02483	0.3
128.07213	0.2
133.76454	0.1
211.13438	0.4
235.08328	0.1
254.28847	0.1
270.72137	0.1
277.21750	0.2
279.23404	0.4
280.23676	0.3
281.24121	0.1
286.51904	0.1
299.01956	0.2
309.20734	0.2
310.21045	0.2
377.86237	0.1
378.08722	0.1
397.13431	0.2
398.14005	0.3
399.13919	0.5
400.14511	0.3
417.15094	0.2
564.83948	0.1
619.79987	0.1
740.44147	0.1
766.93311	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	739.4295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98658	0.5
53.90081	0.6
55.01867	0.9
57.03443	1.0
59.01374	8.5
61.98832	3.2
68.28536	0.5
69.03451	0.8
70.64832	1.8
71.01388	7.5
71.05020	2.7
72.99303	1.3
73.02932	1.2
83.01380	0.9
83.05028	0.9
85.02962	2.2
87.00873	1.6
89.02443	7.0
89.51009	0.5
90.68913	0.5
92.68203	0.5
95.05041	0.8
97.02966	3.3
97.06625	2.5
99.00888	17.2
101.02453	5.1
109.06586	1.4
111.00901	0.6
113.02442	1.9
116.92892	0.8
117.39404	0.5
119.03486	1.2
123.08153	1.0
125.02458	1.4
125.09737	7.0
142.02698	1.1
151.11250	0.6
153.12796	0.8
153.62326	0.6
155.14386	0.9
161.04561	1.1
161.09793	0.5
163.11295	9.2
169.12260	0.6
171.10306	2.1
177.33762	0.5
181.12363	18.2
182.12616	1.1
187.47552	0.6
197.11787	1.4
199.13408	13.3
200.13765	0.8
204.37115	0.6
207.10268	29.6
208.10622	2.0
225.11317	47.3
226.11757	3.1
235.08183	1.5
243.12363	23.3
244.12651	2.0
253.09303	2.0
271.17688	0.5
277.21744	17.8
277.24747	0.9
278.22083	1.9
281.24860	10.4
282.25217	1.1
397.13538	11.6
398.13870	1.1
415.14670	2.5
423.33667	0.7
432.89096	0.6
452.50937	0.6
461.20432	3.4
479.21228	7.8
480.21790	1.0
486.25418	0.7
679.38959	0.7
721.40820	0.6
739.42853	100.0
740.43195	30.1
740.57086	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.4
57.03444	0.8
58.00590	1.1
59.01382	26.8
60.01738	0.4
61.98820	2.2
67.32117	0.4
69.03449	1.6
69.55120	3.7
71.01386	25.4
72.99307	2.5
73.02950	3.7
75.00862	0.5
81.03469	0.9
83.01388	3.3
83.24329	0.4
85.02963	5.4
87.00880	6.1
88.98804	0.6
89.02451	20.8
90.02774	0.4
91.04012	0.6
95.01398	1.5
97.02966	4.2
98.20546	0.9
99.00904	2.3
99.04504	0.5
101.02454	20.5
108.35863	0.4
109.02985	0.6
111.00864	0.5
111.04510	1.3
113.02462	9.3
119.03513	5.5
125.01630	0.7
125.02470	8.2
131.03436	0.7
133.05106	0.5
139.04060	0.9
143.03499	3.0
143.18607	0.4
146.12105	0.4
149.04552	0.7
161.04582	4.5
163.11351	0.7
169.05034	0.5
171.10280	1.5
179.05620	3.6
181.12344	1.7
181.21214	0.4
185.04440	0.5
199.13472	1.0
207.10255	2.4
217.07065	0.5
219.05165	0.4
221.06635	1.5
225.11340	4.3
235.08221	9.8
236.08594	0.5
238.47903	0.4
243.12344	1.2
244.81729	0.4
253.09285	2.5
263.07474	0.6
277.21683	5.1
278.22037	0.8
281.24854	77.2
282.25186	7.3
287.07785	2.6
295.26340	0.7
305.08701	4.1
316.03851	0.5
317.10324	1.3
323.09857	1.3
379.12485	0.7
397.13522	100.0
398.13840	7.8
415.14578	31.4
416.14890	2.8
428.19666	0.5
618.35077	0.4
634.97223	0.4
679.39075	3.6
680.39612	1.4
739.42780	5.3
740.43121	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	738.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36206	0.1
54.57281	0.1
56.11306	0.1
59.01374	0.1
61.98831	100.0
62.98526	0.1
71.01405	0.1
71.03754	0.1
71.04108	0.2
84.16252	0.1
278.22000	0.2
279.22336	0.1
304.42526	0.1
308.99368	0.1
398.13678	0.1
399.14209	0.1
757.63422	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	739.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50946	1.1
57.03436	1.1
59.01378	38.3
59.44067	1.2
61.98829	9.7
65.00334	2.1
66.73090	1.1
70.56524	4.3
71.01385	6.6
75.00890	1.3
76.34912	0.9
77.89799	1.1
78.20240	0.9
78.95899	1.4
80.67809	0.9
80.96550	2.0
83.01360	1.9
85.02970	1.4
89.02457	1.1
90.83529	1.0
93.03471	2.1
95.01409	1.5
96.96011	4.5
97.02923	1.4
99.00937	1.3
101.02451	3.2
107.01460	1.2
109.02954	2.5
113.02467	2.4
119.03461	1.1
121.02941	8.6
136.01677	3.4
137.02406	2.1
147.00905	1.4
148.01651	1.7
149.02454	5.8
151.00368	3.1
163.00366	9.1
163.07663	5.3
164.01140	4.1
165.01814	1.3
175.00366	3.9
176.01102	1.5
178.99846	2.8
187.04080	1.3
187.07629	1.9
189.99062	3.7
190.99849	1.9
191.01842	1.2
194.26756	1.2
202.99789	1.5
203.03551	2.0
217.04988	1.7
227.03505	1.5
229.05026	1.1
231.03011	1.4
231.06602	9.0
241.04980	2.4
243.02979	1.8
256.03735	1.2
257.04495	1.7
259.06134	3.0
267.02863	1.0
269.04425	2.3
271.02405	3.1
283.02466	3.1
284.03232	2.5
285.04114	2.1
299.01941	2.7
300.02750	4.8
301.03546	2.7
311.02020	1.4
312.02707	7.0
313.03503	28.2
314.04221	6.5
325.03604	2.9
329.13870	3.9
340.02231	1.4
341.03027	1.4
350.19327	1.1
353.06595	2.7
355.11960	1.4
373.12949	8.1
374.13455	2.7
381.09711	12.4
382.10367	5.9
399.21771	2.2
401.12387	1.6
409.09549	1.8
443.20621	4.1
463.14017	1.2
523.16010	11.2
524.16840	7.6
544.23511	1.0
575.22699	2.8
591.38806	1.9
592.23260	3.4
593.23907	37.7
594.24188	8.6
635.40320	6.1
653.40900	3.0
695.40552	1.7
739.29791	100.0
740.30078	26.1
744.31305	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	738.3565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.2
61.98830	100.0
62.98536	0.3
71.01379	0.2
71.41432	0.2
89.02460	0.1
97.98820	0.1
100.77509	0.1
101.02467	0.1
113.02509	0.1
139.00520	0.1
143.03528	0.1
143.23659	0.1
154.78860	0.1
277.21771	0.1
278.22144	0.2
341.51910	0.1
398.13718	0.1
399.14172	0.3
400.14474	0.3
444.83334	0.1
471.88858	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.9
59.01379	9.6
61.98833	17.8
63.96235	1.6
65.43405	0.6
68.86256	0.5
69.03443	1.5
71.01389	10.9
71.68021	0.5
71.72213	0.8
71.72564	0.7
73.02954	3.3
78.98595	6.5
79.95743	12.3
80.96523	74.5
81.02070	0.5
83.01390	0.9
85.02953	3.8
87.00887	3.5
89.02465	1.0
94.98096	17.5
94.99047	0.7
95.01376	0.6
95.95257	0.6
96.96008	3.6
97.02964	1.6
98.95582	0.6
101.02454	5.3
106.98095	3.5
113.02451	2.2
113.76101	0.5
122.97598	2.7
124.61977	0.5
125.02476	3.5
127.04068	0.9
134.97592	6.6
136.99149	1.9
143.03526	0.9
148.99132	7.4
152.98643	7.1
156.48714	0.6
161.04529	0.9
163.07678	0.7
164.98633	16.7
165.12788	0.9
168.76384	0.5
183.13914	8.7
184.14224	0.8
188.98669	0.6
206.99588	2.8
225.00734	28.9
226.01070	1.1
227.12726	1.0
281.36118	0.6
379.33224	0.6
432.48270	0.7
462.47726	0.6
491.16095	0.8
509.17148	4.4
569.24268	0.6
633.39178	1.3
651.39630	1.2
693.41046	1.2
737.30688	100.0
738.30908	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.9
59.01375	16.2
63.02397	0.5
63.84003	0.6
65.00352	0.8
69.68037	3.5
71.01388	0.5
74.02473	1.2
82.05897	0.5
83.01402	0.7
85.02967	0.6
96.96016	1.8
100.65058	0.5
107.01391	2.4
108.02183	0.8
109.02962	1.7
116.05087	1.1
121.02988	1.5
125.02387	0.6
125.09734	0.6
127.11323	0.6
131.32095	0.5
139.11346	0.6
142.06639	11.5
151.00388	8.0
155.10768	1.4
157.12349	10.5
158.06097	1.4
160.03986	0.8
163.00417	2.8
163.03925	0.6
169.01460	0.7
178.99850	5.5
185.11832	9.2
186.05609	5.6
186.12085	0.8
187.04121	0.6
197.29823	0.6
197.77682	0.7
203.08344	1.7
203.12891	73.9
204.06664	8.9
204.13202	5.4
226.02937	0.6
227.03568	2.0
229.05099	1.3
233.04359	0.7
243.03030	4.0
244.03438	0.5
245.04424	1.8
245.09383	3.6
245.13922	50.3
246.07678	6.7
246.14255	3.1
254.02254	0.8
255.02968	14.9
256.03442	1.0
271.02466	26.7
272.02997	2.1
273.03827	1.0
283.02298	1.5
289.09415	0.6
300.02753	59.9
301.03503	44.7
302.03778	3.4
315.93948	0.6
371.04291	0.6
447.09311	100.0
448.09598	10.1
531.55133	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96173	0.5
55.01877	3.1
57.03448	18.4
57.03734	0.9
59.01363	2.6
67.01885	1.2
68.61239	0.5
68.99820	0.7
71.01385	6.9
71.71906	0.7
72.99306	1.7
73.02950	2.0
75.00869	1.5
81.03456	0.5
83.01389	8.6
84.02177	2.5
85.02958	100.0
86.03294	1.6
87.00924	0.8
94.07343	0.6
96.96007	4.2
99.00906	1.1
101.02438	4.9
103.03963	0.7
108.14427	0.5
111.00893	26.2
117.03472	1.2
119.05025	2.7
125.02455	2.0
129.01956	50.2
130.02292	1.2
131.03519	0.7
133.02992	1.6
134.02837	1.0
134.03772	9.1
134.77765	0.5
135.04300	0.5
136.46594	0.5
138.06859	0.7
143.03578	0.8
145.02879	1.0
147.03032	3.5
149.06097	1.2
153.09196	0.8
161.04582	3.5
163.04002	2.1
173.00891	2.8
175.04042	1.4
178.02693	0.7
187.02463	3.1
191.01982	9.7
193.05069	6.0
193.12315	1.0
194.05453	0.6
205.03534	50.9
206.03873	1.9
209.03006	3.3
211.13382	1.0
212.56708	0.5
223.04585	31.4
224.04903	1.7
241.00314	0.5
255.12407	1.3
337.05646	2.7
357.09680	1.6
367.06720	0.6
369.08499	0.7
385.07806	0.7
396.11423	0.6
399.09323	29.1
400.09671	3.3
468.64713	0.6
693.17572	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.3
57.03444	0.5
59.01123	0.2
59.01366	0.7
71.01391	1.4
72.99308	0.2
73.02947	0.5
79.95743	1.6
80.96519	1.2
83.01379	0.4
85.02954	2.6
86.03317	0.1
93.99477	0.2
95.95267	0.5
96.96021	48.8
97.95966	0.2
98.08229	0.1
98.20250	1.1
98.95641	0.2
99.00901	0.1
101.02466	0.8
113.02444	0.3
122.97581	0.8
129.01978	0.3
132.74269	0.1
138.97083	0.6
139.30090	0.2
147.03000	0.4
150.97102	1.1
152.98709	0.2
164.98651	0.2
180.98166	0.6
187.00531	0.1
188.13803	0.1
191.01978	1.3
192.99632	0.3
209.02899	0.2
222.99275	0.3
241.00206	2.7
321.72675	0.2
349.05978	100.0
350.06308	9.0
379.06744	0.2
429.14505	0.4
639.91528	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.4
57.03448	12.3
58.00564	0.3
59.01379	4.6
66.80173	0.3
68.99827	0.8
70.35558	1.6
71.01391	4.9
72.99322	1.7
73.02962	0.7
73.79868	0.3
75.00877	1.4
83.01392	2.3
84.02174	2.9
85.02958	100.0
86.03312	2.4
87.00880	1.1
89.02447	1.0
89.71431	0.4
96.95392	0.4
96.96024	7.2
99.00866	0.4
101.02456	1.3
103.00372	1.4
109.45075	0.3
111.00892	4.6
115.00407	0.5
119.05022	2.0
129.01967	8.5
133.01431	1.4
145.02959	0.4
146.08243	0.7
147.03017	11.6
163.02643	0.5
163.04018	2.6
173.00949	2.2
191.01994	60.4
192.02336	2.1
205.03728	0.4
209.03036	46.2
210.03387	1.6
223.04565	0.9
241.00237	1.9
308.19342	0.4
337.05612	1.8
355.06705	30.4
356.07074	3.0
366.74738	0.3
379.07037	2.8
380.02927	1.7
380.07343	2.4
380.15558	1.2
381.07291	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.1
59.01369	0.5
64.97424	0.1
66.63184	0.1
71.01378	0.4
71.02073	0.3
71.02425	0.1
78.95872	0.1
79.95741	6.8
80.96532	0.2
85.02948	0.7
89.02473	0.1
93.03427	0.1
95.95271	0.3
96.96021	100.0
97.95960	0.6
101.02487	0.2
108.02254	0.1
110.97593	0.4
119.05050	0.2
120.01260	0.3
121.02966	0.2
134.03741	0.3
136.01645	0.2
150.03264	0.3
151.04024	0.8
165.05571	0.3
173.18607	0.1
179.07172	0.2
181.08751	0.2
191.02055	0.3
193.05060	0.2
195.06631	0.3
207.05086	0.1
209.03000	0.3
218.76807	0.1
230.99602	0.2
241.00157	0.3
245.09164	0.2
265.08530	0.2
268.07303	0.3
269.08069	0.4
269.11783	0.4
270.08908	0.2
283.09738	1.0
285.11194	0.6
295.09860	0.2
298.08395	1.8
299.09067	0.4
300.10001	0.2
305.07373	0.1
305.10571	0.8
313.10831	3.7
314.11365	0.8
315.12341	0.2
328.13174	4.5
329.13528	0.7
391.05667	0.2
411.13095	0.1
414.42963	0.1
430.84821	0.1
438.09714	0.2
439.10672	1.8
440.11038	0.1
689.17596	0.3
733.20319	41.4
734.20587	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	733.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.2
59.01377	0.7
69.03413	0.2
69.74268	0.3
69.74674	0.9
71.01392	0.8
75.00865	0.2
79.95273	0.3
79.95745	6.5
80.96541	0.4
85.02962	1.2
86.03254	0.2
95.95265	0.5
96.96023	100.0
97.95952	0.4
99.00916	0.2
105.71737	0.2
110.97611	0.3
112.46310	0.2
115.00373	0.4
119.03751	0.2
119.04985	0.2
120.01265	0.2
121.03020	0.3
129.01949	0.2
136.01695	0.3
137.02405	0.3
138.97096	0.3
145.03004	0.2
150.03242	0.3
150.97025	0.2
151.04028	0.9
160.73581	0.2
163.03996	0.2
165.05544	0.4
177.04068	0.6
191.01881	0.4
193.05057	0.4
193.21046	0.2
195.06601	0.3
209.03006	0.6
211.03644	0.2
213.00684	0.2
230.39381	0.2
240.13892	0.2
241.00235	0.7
256.99683	0.9
257.01993	0.2
260.73627	0.2
269.08371	0.3
269.11768	0.5
270.08893	0.3
283.09695	0.8
284.10257	0.2
285.11237	0.8
298.08572	1.6
299.09036	0.4
303.83163	0.2
313.10800	3.5
314.11386	0.7
315.91779	0.2
328.13147	4.0
329.13730	0.6
411.13315	13.0
412.13702	1.3
438.09854	0.3
439.10684	1.6
623.51605	0.2
625.45892	0.2
689.17493	0.4
733.20355	35.4
734.20636	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	730.4037
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10432	0.1
59.01369	0.2
61.98831	100.0
62.98531	0.2
66.00637	0.1
66.31775	0.1
71.01436	0.1
80.10110	0.1
80.96543	0.4
86.89790	0.1
89.45865	0.1
113.74545	0.1
171.10245	0.6
172.10646	0.3
173.10831	0.3
185.52812	0.1
225.00784	0.2
228.05763	0.1
277.21790	0.3
278.22113	0.2
279.22403	0.2
491.94901	0.1
557.34283	0.1
619.50018	0.1
731.36578	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.2
61.98829	100.0
62.98544	0.2
68.71924	0.1
71.29018	0.3
78.95894	0.2
79.95753	0.1
80.96539	0.4
94.98120	0.3
96.96034	0.1
96.96984	0.2
142.24501	0.1
164.98598	0.1
171.10297	0.4
172.10658	0.2
173.10814	0.2
181.96437	0.1
277.21838	0.5
278.22186	0.5
279.22556	0.3
280.22382	0.1
312.89505	0.1
567.71155	0.1
731.36920	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33749	0.4
55.65578	0.3
59.01379	0.8
60.99307	17.7
61.98832	2.5
71.73446	0.4
73.34004	0.3
87.00885	6.9
88.00408	1.6
88.01240	0.6
88.04058	0.5
88.98814	100.0
89.02450	35.4
89.99175	0.8
90.02786	0.5
161.47835	0.4
180.55594	0.5
185.40050	0.3
396.03394	0.5
424.11713	0.5
438.13199	1.4
439.14026	0.8
451.14154	0.4
467.13638	2.2
481.08344	0.8
481.15186	14.3
482.15610	8.2
483.16122	1.7
495.16748	1.6
496.17310	1.0
497.18152	3.8
498.18683	1.3
514.14844	7.5
515.15192	1.8
525.14563	0.6
528.16473	1.4
540.16376	4.9
541.16589	1.7
555.18945	35.8
556.19147	10.2
572.15558	5.6
573.15729	1.7
586.17218	0.5
641.22650	2.0
642.22314	0.6
659.23663	22.5
660.23956	7.5
731.25885	6.3
732.26093	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	728.4245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80407	0.2
59.01377	2.2
60.03102	0.2
61.93801	0.2
61.98830	100.0
68.73276	0.2
69.61431	0.8
69.61861	0.9
78.95907	0.2
88.25686	0.2
126.86042	0.2
132.56473	0.2
167.60014	0.2
277.21686	0.5
278.22165	0.6
279.22272	0.2
481.09830	0.2
539.11877	0.2
713.57220	0.2
714.49933	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56947	0.3
55.01880	2.5
57.03447	13.7
59.01375	6.2
68.99821	0.6
70.00967	0.9
70.01381	0.6
71.01380	4.0
72.99313	1.0
73.02958	0.9
75.00888	1.4
78.95935	0.4
83.01385	2.2
84.02165	3.0
85.02959	100.0
86.03294	2.6
87.00887	1.8
89.02444	1.1
91.98108	0.3
96.96037	0.4
97.03021	0.3
101.02453	1.0
103.00400	1.1
109.92175	0.3
111.00884	4.3
115.00408	1.0
119.05103	0.6
129.01971	9.2
133.01447	1.1
134.03766	2.6
135.04581	0.6
147.03021	12.2
152.99583	0.3
163.04007	0.5
173.00981	2.2
175.02448	0.4
191.01996	60.1
192.02353	2.8
193.05064	2.3
205.03467	0.4
209.03041	35.4
210.03358	1.1
223.04599	2.2
224.92845	0.3
333.06076	0.3
355.06699	3.9
356.07013	0.3
367.06686	1.7
371.06110	1.8
385.07755	20.1
386.08096	2.5
484.82547	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77740	0.5
53.60904	0.5
55.01860	1.4
57.03450	4.3
58.00594	0.6
59.01093	0.7
59.01377	13.0
59.48176	0.5
61.98827	0.9
68.99815	0.8
69.03456	1.1
71.01387	18.4
71.72911	0.8
72.99319	4.8
73.02934	1.8
73.28880	0.6
75.00877	13.9
79.95744	1.4
83.01379	0.9
83.05030	0.6
85.02956	19.2
86.03270	0.8
87.00883	8.3
89.02457	4.7
95.01394	5.1
95.05006	0.6
95.95263	0.6
96.96021	10.4
99.00888	9.7
101.02455	2.2
103.00380	1.7
107.05067	0.6
108.02164	0.7
109.02965	0.6
111.00872	1.1
111.08146	1.9
113.02464	22.6
114.02772	0.7
115.00387	2.0
117.01930	2.3
119.03471	0.6
119.05064	0.9
119.77953	0.5
120.01252	1.7
129.01944	1.9
131.03516	0.8
137.02475	0.5
150.03226	0.7
152.01123	0.9
157.01492	0.7
163.04022	0.6
165.05582	0.8
165.12857	17.4
166.13188	1.3
167.03502	2.1
173.23384	0.5
175.02481	1.6
179.03586	0.5
183.13908	41.8
184.14272	2.7
191.01996	2.2
205.07201	0.8
207.05145	0.7
209.11786	1.4
227.12921	3.8
231.05046	1.0
237.39738	0.5
241.00343	0.6
249.06160	6.6
250.06363	0.7
267.07190	13.3
268.07562	0.6
279.09000	0.9
415.19873	4.1
416.20084	0.7
459.18259	0.7
463.20404	1.2
477.19781	0.8
551.23407	4.1
641.25507	0.6
659.46899	0.6
665.26959	1.0
683.25861	2.0
709.25464	1.1
710.26770	0.8
727.26740	100.0
728.27106	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	727.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.2
57.03452	8.8
59.01379	34.4
65.03972	1.2
67.01884	3.5
67.41666	0.6
68.04756	0.7
68.99824	2.1
69.03457	9.3
69.57519	0.6
69.98878	0.6
70.03752	0.8
71.01385	22.7
71.71843	0.8
72.01705	0.8
72.99311	2.6
73.02951	13.7
75.00892	1.0
81.03477	5.1
82.24261	0.6
83.01387	5.4
83.05026	3.2
85.02959	84.3
86.03297	2.3
87.00884	100.0
88.01213	1.6
89.02446	1.2
93.03457	6.4
95.01395	18.5
96.96027	4.0
97.02959	30.1
99.00886	3.4
99.04528	3.1
101.02453	1.8
103.04020	10.5
107.05044	1.0
108.02181	1.4
109.02969	9.5
111.00896	10.0
111.04508	1.5
113.02463	18.9
115.00381	11.8
115.04028	1.7
121.03000	1.0
123.00885	1.0
123.04523	0.9
125.02438	2.5
127.03139	1.3
127.04032	15.3
129.01970	4.7
133.01410	0.8
135.04541	1.1
136.50804	0.6
137.02443	5.0
139.00403	17.1
139.04028	1.8
140.00844	0.7
141.05629	1.4
145.05067	5.5
147.03012	2.6
149.02414	1.1
149.57195	0.9
151.04028	1.0
153.02000	1.4
155.03571	3.3
157.01453	10.0
167.03506	1.5
169.05066	2.7
171.02991	2.6
173.04549	2.2
175.02493	51.4
176.02827	2.0
179.03447	0.9
181.01425	2.0
191.01997	19.4
192.02376	1.1
199.02492	39.1
200.02882	1.7
209.03030	24.5
217.03517	18.6
223.04463	1.2
241.03467	1.6
253.03429	0.8
257.06610	1.2
260.57657	0.6
285.06232	3.2
301.05756	1.3
303.07230	19.8
304.07645	1.2
321.08273	7.6
327.07306	0.8
345.08203	8.8
346.08936	0.8
355.06650	3.8
371.06143	1.3
371.10031	4.1
385.07797	2.2
387.09335	19.3
388.09674	2.3
404.10638	0.6
405.10461	7.9
430.17029	0.8
480.65277	0.7
521.11005	0.9
543.81256	0.7
563.12537	2.4
581.14233	0.8
623.14935	6.7
624.15106	1.0
667.16852	1.0
685.18646	2.3
709.18530	18.7
710.18506	3.5
727.19653	24.1
728.19836	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	727.138
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71807	0.3
55.01880	1.3
57.03188	0.6
57.03448	8.9
58.00593	0.3
59.01377	5.6
68.99823	0.8
71.01380	6.3
71.26183	0.5
71.26523	0.4
72.99304	1.6
73.02940	1.0
75.00867	1.6
83.01386	2.0
84.02161	2.3
85.02955	78.2
85.70116	0.3
86.03307	1.7
87.00883	1.7
89.02435	2.5
96.96015	0.5
101.02465	1.0
101.81659	0.3
103.00387	1.4
111.00879	3.6
115.00374	1.0
116.40870	0.4
119.05038	0.8
129.01952	6.9
133.01437	3.8
135.04518	1.3
147.03012	7.4
163.04005	0.7
169.12468	0.3
173.00961	1.9
179.03528	0.7
191.01994	42.0
192.02409	1.5
193.12270	0.5
195.13907	3.1
200.03349	0.3
209.03032	100.0
210.03389	4.4
213.14935	0.6
255.16048	0.4
299.14893	0.6
337.05627	0.7
353.05014	0.3
355.06671	18.3
356.07016	2.0
357.08609	0.3
371.01553	0.5
371.06198	7.8
371.10693	0.5
372.06680	0.8
385.07782	1.2
425.24045	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4501
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.4
58.03310	0.2
59.01377	100.0
60.01712	1.2
60.58852	0.2
61.98825	2.0
71.01377	1.3
71.28072	0.5
73.02946	0.4
75.75463	0.2
75.75907	0.2
82.94431	0.2
83.01367	0.3
85.02970	0.4
89.02468	0.6
101.02448	0.7
109.82385	0.2
113.02480	0.6
116.88576	0.2
118.89469	0.2
121.02977	0.5
121.99702	0.2
125.02489	0.9
140.15163	0.2
151.00400	0.2
161.04597	0.3
175.03981	0.4
209.04529	0.4
209.11743	1.3
210.12190	0.6
273.22354	0.4
277.21704	32.6
278.22025	3.8
279.22430	0.4
285.04135	0.6
291.23221	4.6
292.23657	0.5
301.21698	0.7
303.05164	0.7
319.22845	1.9
725.44751	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4498
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06322	0.4
59.01378	100.0
60.01715	1.1
60.80418	0.4
61.98835	5.5
69.50581	0.5
71.01395	1.3
71.73322	0.6
75.00874	1.7
86.81441	0.4
89.02465	1.0
95.51054	0.4
113.02535	0.5
116.92878	1.0
121.45148	0.4
209.11823	2.9
210.12248	1.7
211.12314	0.6
217.03642	0.5
226.79845	0.4
243.16060	0.5
256.72699	0.4
277.21710	43.4
278.22043	5.1
291.23389	1.0
311.44443	0.6
321.00140	0.4
343.67908	0.5
405.21539	1.0
481.15445	0.6
519.09552	0.5
555.19482	1.8
626.65948	0.5
665.43359	0.6
674.23187	0.7
725.45667	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73995	0.2
55.89440	0.2
59.01378	100.0
60.01706	0.8
61.98818	1.7
64.37778	0.2
70.34256	0.8
70.86363	0.2
71.01382	1.7
73.02948	1.0
75.00834	0.3
82.95428	0.9
83.38214	0.2
85.02953	0.3
89.02454	0.9
97.02979	0.3
101.02455	0.8
113.02483	0.8
119.03529	0.3
126.87764	0.2
139.07677	0.3
167.10767	0.4
209.11873	0.4
211.67270	0.2
243.15869	0.3
273.22116	0.5
277.21716	35.5
278.22101	4.0
291.23294	5.1
292.23523	0.6
301.21674	0.7
319.22733	1.7
387.20218	0.3
405.21161	0.8
467.13968	0.3
481.15067	1.6
482.15720	0.3
497.18555	0.3
514.14709	0.8
535.92828	0.2
551.19763	0.3
555.18903	3.1
572.15405	0.7
641.22339	1.4
642.22791	0.5
674.22546	1.7
682.25262	1.0
694.98132	0.3
725.31433	0.4
725.44836	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51475	0.9
59.01383	6.8
61.98829	5.6
62.69278	1.0
65.00345	1.7
67.88750	0.9
71.36803	1.9
83.01363	1.3
96.96040	0.9
107.01398	3.0
108.02190	1.6
120.72910	1.0
121.02982	1.7
123.85912	1.0
139.49336	1.1
148.01665	1.1
151.00369	10.4
152.45148	0.9
162.06813	1.3
163.00409	2.5
178.99890	6.2
211.03893	1.2
215.03474	1.9
226.02579	2.5
227.03482	3.8
229.05081	1.2
243.02983	12.4
254.02177	2.5
255.02974	29.8
256.03354	1.9
271.02454	71.9
272.02936	7.0
273.04044	1.1
283.02371	1.1
291.19632	3.5
299.02002	2.2
300.02747	100.0
301.03442	42.0
302.03867	2.9
309.20724	4.1
725.28278	76.1
726.28717	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	725.1584
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.1
57.03449	12.0
59.01374	6.8
62.65922	0.4
65.86337	0.5
68.99817	1.5
69.72955	3.9
71.01385	7.9
72.99321	3.0
73.02930	0.7
75.00872	2.4
81.03455	0.6
83.01393	3.1
84.01723	0.5
84.02151	3.0
85.02962	100.0
86.03294	2.6
87.00896	1.3
89.02467	2.9
96.96030	3.0
99.00893	1.6
101.02450	1.5
103.00382	1.7
111.00896	6.8
115.00356	1.0
119.05054	2.6
125.02464	1.5
129.01958	11.1
133.01469	3.6
133.02998	2.0
142.38010	0.5
143.03494	0.5
147.03023	10.7
163.02634	0.5
163.03989	2.5
173.00966	2.8
177.01956	0.6
191.01993	62.3
192.02327	2.3
205.03561	5.1
209.03038	90.7
209.29866	0.4
210.03384	3.7
223.04588	7.9
327.08704	3.7
337.05792	1.5
355.06717	31.0
356.07068	3.6
369.04269	0.6
369.08487	2.7
405.04886	0.6
415.08740	0.9
429.13947	0.5
533.12787	0.6
725.16022	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.2
59.49160	0.2
60.87793	0.2
61.98829	100.0
69.90412	1.2
71.01398	0.3
78.16016	0.2
96.96059	0.3
98.19892	0.2
113.02385	0.2
139.82741	0.2
163.64636	0.2
185.00603	0.2
249.17068	0.2
271.02554	0.5
281.24878	0.2
300.02859	0.5
311.27338	0.2
725.28949	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	8.2
61.98827	13.1
70.54883	1.7
70.55237	2.3
71.01382	2.4
80.34598	0.9
81.76801	0.7
83.01394	1.2
85.02962	1.3
94.54334	0.8
95.95248	0.9
96.96027	5.7
106.06622	2.8
107.94408	0.8
108.04562	1.1
110.06133	3.9
113.02507	1.3
120.08188	1.0
121.05357	1.0
122.06140	20.0
134.06148	6.0
136.07718	0.9
144.04517	1.4
146.06151	1.7
152.07152	1.2
153.44200	0.8
160.04071	0.8
160.06447	2.8
161.04753	0.8
162.05603	1.6
174.05557	4.8
180.06691	3.4
186.05568	2.0
188.07225	2.4
203.05872	1.6
203.37967	0.8
211.08813	1.2
213.10298	14.6
214.10675	0.8
215.11987	2.0
225.10294	2.8
226.11203	1.8
236.09622	1.2
237.10291	2.1
239.11882	16.3
241.13445	11.3
242.13976	1.3
249.10417	1.8
250.07413	1.1
251.08298	1.2
251.11806	5.1
263.08206	1.2
263.11819	1.8
264.09030	5.1
265.09775	5.4
266.10413	1.5
267.11356	2.9
268.11777	1.0
276.03928	0.9
276.09009	1.3
277.09875	1.3
278.10349	1.3
279.08008	1.9
279.11353	12.5
280.11923	2.0
281.12680	1.7
283.10815	1.8
285.12436	44.8
286.12784	4.9
290.10623	1.4
291.07748	2.3
291.11386	5.5
292.08630	7.6
292.11758	1.4
293.09189	5.0
293.12909	5.7
295.10812	1.1
301.11978	1.2
305.09131	1.3
306.10172	4.6
307.07397	1.3
307.10876	25.9
308.11563	11.0
309.12173	1.6
311.10013	1.5
312.10947	0.9
321.12402	1.1
323.10422	0.9
330.15979	1.5
340.10715	3.0
341.11356	1.2
342.12338	1.0
343.12970	2.6
344.17581	1.5
345.18411	1.2
350.09088	10.6
351.09851	29.9
352.10312	3.5
354.16119	1.9
355.13452	1.0
356.13959	3.6
357.14624	1.1
365.11365	3.6
368.17569	1.4
369.14276	1.0
370.15662	6.9
371.16357	2.2
372.17148	3.4
382.11783	1.2
383.12399	1.6
384.13251	2.3
384.17404	1.3
386.19064	1.1
387.15994	1.2
398.15054	8.3
399.15289	1.4
402.18411	1.1
403.15344	2.8
406.17801	1.0
412.16617	8.2
413.17502	9.5
414.18344	1.7
416.15982	1.1
418.17703	1.2
430.17728	8.6
431.17886	1.3
433.16254	1.7
444.19162	1.2
447.18088	2.7
448.19025	4.3
456.15402	1.8
457.16382	1.8
462.20901	1.4
474.16629	2.6
491.16824	2.9
492.17706	10.2
493.22504	1.7
506.19241	9.6
507.20099	1.9
511.23404	3.2
524.20416	2.8
535.23645	5.3
538.21924	36.0
539.22198	5.6
553.24457	17.7
554.25006	3.6
585.27533	4.9
586.26941	1.3
597.23621	22.2
598.23895	4.4
611.25311	3.5
612.25403	1.1
628.48279	1.0
629.26294	100.0
630.26630	22.5
643.27802	2.5
661.28857	90.3
662.29205	25.1
662.40784	1.1
725.36719	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	724.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64471	1.7
52.81691	2.1
57.03440	4.5
59.01376	44.4
61.98829	100.0
69.03455	2.6
71.01376	21.4
71.73283	3.4
73.02956	8.1
75.00877	5.2
79.95723	2.0
83.01418	3.1
83.05035	2.4
85.02961	17.2
87.00887	5.4
88.98833	2.4
89.02466	8.3
95.01424	2.5
96.96020	28.0
99.00903	2.9
101.02464	10.4
113.02469	12.0
115.00320	2.4
119.03496	2.7
121.02995	2.7
122.06111	14.8
134.06151	3.4
135.11824	2.4
143.03577	2.4
149.04599	3.7
149.06003	2.3
153.09312	2.0
161.04643	3.8
161.09698	8.0
165.05421	2.1
175.04034	2.1
179.10834	10.6
186.05666	2.4
191.01973	3.8
203.05885	2.8
213.10329	5.7
217.42384	1.9
231.10545	2.2
239.11884	13.4
241.13454	4.6
248.29626	2.0
249.10266	2.4
251.11958	5.8
264.08978	11.0
265.09866	7.4
277.09763	3.4
279.08481	2.7
279.11264	12.6
280.11813	3.1
285.12415	19.1
286.12781	3.2
291.07935	4.3
291.11212	4.5
292.08444	18.8
293.09128	5.2
306.10080	8.6
307.10876	42.7
308.11426	12.7
340.10464	2.8
350.08936	13.0
351.09863	54.1
352.10135	9.5
365.11484	5.0
383.12595	2.7
388.66898	2.3
398.15024	6.2
412.16553	3.9
413.17404	4.1
418.17554	2.5
430.17810	4.5
447.17950	2.9
448.18582	3.7
474.16635	3.1
491.16855	7.0
492.17773	6.4
506.19205	17.9
507.19897	2.9
520.21173	4.0
535.23407	5.0
538.21893	94.8
539.22406	15.1
548.31958	3.5
553.25055	10.2
585.26941	4.3
592.28180	3.5
593.29340	12.5
597.23578	11.7
598.23608	2.4
611.24738	2.4
629.26245	54.2
630.26764	14.5
661.28796	60.5
662.29358	16.8
680.35040	4.1
681.35962	4.3
709.75848	2.5
724.33392	12.3
725.34229	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.8
57.03440	1.0
58.00592	0.3
59.01378	10.0
61.98830	5.9
69.03431	0.5
70.74874	0.6
70.75264	0.6
71.01383	6.1
72.99303	0.9
73.02943	1.4
75.00885	0.6
83.01400	0.7
83.05035	0.9
85.02950	1.8
87.00878	1.3
88.04960	0.3
89.02447	3.5
95.01382	0.5
97.06581	0.8
99.00891	0.5
101.02453	4.7
111.08171	1.6
113.02460	2.8
119.03500	1.1
133.05090	0.3
143.03459	0.3
143.53267	0.3
145.05107	0.5
161.04543	1.6
163.11327	0.5
165.12860	10.4
166.13200	0.6
179.05658	0.3
183.13907	75.0
184.14243	5.1
209.11824	3.4
227.12910	4.9
233.22644	0.5
235.08215	2.3
253.09291	6.5
254.09534	0.3
259.20694	0.7
274.25995	0.3
275.20203	0.6
277.21707	100.0
278.22052	10.3
291.23361	0.4
419.23074	0.4
436.82971	0.3
445.20831	2.1
463.21841	2.6
723.43414	93.4
724.43762	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4344
Annotation	Trungapeptin B
Peak:m/z	Relative Intensity
57.30561	0.5
58.00605	0.6
59.01376	10.5
61.98831	7.4
71.01378	6.2
71.10844	0.7
71.11175	1.1
72.99336	0.6
73.02956	2.0
73.64861	0.5
74.48825	0.5
75.00877	1.4
85.02968	2.4
87.00885	1.7
89.02418	3.1
95.93071	0.5
97.02937	0.6
97.06615	0.8
101.02448	4.9
111.08173	1.4
113.02464	2.5
113.26907	0.5
116.92870	0.5
119.03513	0.7
133.05104	0.6
145.05067	0.6
161.04575	1.4
163.11301	0.6
165.12866	10.3
183.13911	100.0
184.14229	6.3
188.84666	0.5
209.11815	3.2
227.12907	6.2
235.08176	3.4
253.09238	5.9
277.21716	77.6
278.22061	8.2
366.58109	0.6
419.22833	0.8
445.20825	2.2
446.20554	0.5
463.21841	4.6
466.25253	0.5
658.09656	0.6
723.43414	92.5
724.43738	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	723.3039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	3.0
61.98830	4.5
63.02396	0.8
65.00327	1.4
71.01366	0.7
71.27987	0.7
71.28313	0.4
83.01398	1.1
83.05067	0.6
91.01906	0.6
91.49812	0.3
107.01410	3.8
108.02194	1.3
109.02982	1.6
117.38828	0.3
121.02953	2.0
124.01697	0.4
125.02481	0.6
133.02977	0.4
135.00908	1.0
148.01682	1.4
149.02530	0.6
149.96953	0.4
151.00394	10.2
152.00783	0.9
153.01956	0.4
159.04503	0.4
161.04659	0.4
163.00383	3.1
163.04179	0.4
163.11325	0.4
164.01187	0.9
165.12823	0.5
169.01424	1.0
172.05180	0.4
173.06013	0.4
174.03227	0.4
175.04037	0.6
178.99887	5.5
183.04520	0.6
187.03976	0.7
188.04651	0.6
190.02733	0.6
190.99792	0.7
193.01411	0.5
198.03212	0.9
199.04008	1.6
200.04855	0.4
201.01921	0.7
203.03517	0.9
209.11842	16.9
210.12172	1.0
211.03983	1.4
211.13431	0.6
215.03496	1.0
216.04248	1.1
226.02696	6.0
227.03447	5.9
227.12933	1.7
228.04077	0.7
229.04895	0.7
239.03625	0.3
243.02977	21.1
244.03424	1.9
245.04514	1.3
253.09216	1.3
254.02209	6.0
255.02974	26.7
256.03311	2.1
271.02460	100.0
272.02930	11.0
273.04037	1.7
277.21725	10.0
278.22018	1.0
283.02460	1.4
284.03085	0.4
299.01990	1.5
300.02756	88.2
301.03442	37.2
302.03937	2.3
321.81314	0.4
343.04611	0.8
438.48434	0.3
463.08719	2.4
538.90967	0.4
541.83582	0.3
692.25061	0.4
723.30371	94.8
724.30725	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66937	0.3
55.01878	0.5
57.03440	2.5
58.02975	1.9
59.01381	6.8
68.21401	0.4
68.99807	0.8
69.03465	3.1
70.02986	1.5
71.01388	8.1
71.05020	0.5
72.00912	0.6
72.99314	2.4
73.02963	0.7
74.02478	12.3
75.00875	8.7
75.89478	0.3
81.03465	0.5
81.37486	0.4
82.47131	0.3
83.01373	0.7
84.14674	0.3
85.02962	10.7
87.00885	2.6
88.15479	0.3
89.02438	2.1
93.03452	0.5
95.01403	2.9
95.72771	0.3
96.96027	1.8
98.02503	2.7
99.00887	5.0
101.02464	0.4
103.00390	0.9
109.02988	0.7
111.00932	0.5
111.08199	0.6
113.02460	11.4
113.06104	0.8
115.00370	0.8
116.03559	2.4
116.05072	4.4
117.01961	1.4
117.39673	0.3
119.05109	0.5
123.08175	0.5
128.03577	0.4
129.01932	1.6
130.06578	0.5
139.11317	6.9
142.06660	0.8
143.04655	0.9
152.14706	0.3
157.01486	0.6
159.09285	0.7
161.09764	0.4
173.00908	0.6
175.02504	0.5
179.10841	0.6
183.10294	7.9
184.10593	0.4
189.04060	0.6
191.01901	0.5
201.10281	1.0
203.08269	10.6
204.08592	0.5
205.07158	0.5
231.05092	1.8
245.09300	18.8
246.09532	1.0
249.06136	12.8
250.06560	0.5
267.07224	5.2
306.07642	1.2
337.05673	0.4
415.16229	0.8
433.17139	100.0
434.17538	11.4
622.96082	0.4
646.66278	0.4
723.23596	6.9
724.24170	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	723.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86951	0.3
55.01878	1.1
57.03446	3.0
58.00606	0.6
59.01381	14.8
59.01678	0.8
61.98841	0.4
65.94307	0.3
67.01895	0.7
68.99815	1.4
69.03458	1.5
71.01385	18.1
71.18591	0.7
71.18964	0.7
72.01711	0.5
72.99314	5.8
73.02953	1.9
75.00880	15.3
81.03451	0.6
81.15466	0.3
81.15981	0.3
83.01389	0.9
83.05046	0.8
84.02185	0.4
85.02958	21.2
86.03283	0.5
87.00887	6.6
87.04528	0.8
87.84164	0.3
88.01251	0.3
89.02448	4.7
91.04023	0.8
93.03461	0.7
95.01397	5.1
96.96015	2.7
97.02967	0.3
98.85338	0.3
99.00888	9.9
101.02450	1.1
103.00373	2.0
109.02934	0.5
111.00898	1.4
112.01693	0.5
113.02460	21.1
115.00376	2.4
117.01946	2.4
119.05070	0.5
129.01956	2.3
131.03545	0.6
133.10257	0.5
135.11818	3.9
139.00381	0.4
143.08655	0.8
147.03017	0.5
149.04581	0.4
150.03313	0.4
153.02017	0.5
157.01442	0.4
159.08116	1.1
161.09744	6.4
162.10010	0.6
165.05582	0.5
173.00969	0.6
175.02536	1.7
179.10802	12.0
180.11133	0.6
189.04047	0.8
191.02005	1.1
195.14073	0.3
204.35913	0.3
205.07150	1.0
205.08792	0.6
207.05089	0.7
223.09776	1.1
231.05110	1.4
237.14944	1.3
239.12871	0.4
249.06137	11.5
250.06534	0.5
267.07196	14.2
268.07562	0.8
285.07788	0.4
289.07050	0.4
301.45587	0.3
331.12021	0.3
358.02667	0.3
411.16748	0.5
455.15372	1.0
473.16901	0.7
522.30890	0.3
547.20233	4.2
548.20276	0.7
643.22571	0.4
661.23486	0.9
705.22571	1.6
706.22296	0.4
723.23676	100.0
724.23987	20.4
724.37146	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46270	0.4
55.01875	1.2
57.03454	3.5
58.00574	0.8
59.01377	17.6
65.90671	0.5
67.01883	0.8
68.99811	1.8
69.03451	2.0
69.50258	5.0
71.01385	20.5
72.01736	0.6
72.99310	6.8
73.02945	2.9
74.02481	0.4
75.00875	14.7
79.95716	0.6
81.03476	0.8
83.01385	1.3
85.02958	29.1
86.03271	0.7
87.00877	8.0
87.04522	1.8
89.02445	5.0
91.04018	1.4
93.03475	0.8
93.17136	0.4
95.01389	5.0
96.96021	4.2
99.00888	9.9
99.04527	0.6
101.02445	1.7
103.00375	2.8
109.02992	1.0
111.00893	1.6
112.01670	0.8
113.02463	24.7
114.02763	1.1
115.00394	2.6
117.01931	1.8
119.05005	0.7
120.01233	0.6
129.01961	2.9
130.99821	0.4
135.04526	0.7
135.11809	2.2
139.00307	0.6
142.06642	1.1
143.08717	0.5
144.05820	0.6
146.07367	0.6
147.03026	1.8
149.04610	0.8
151.00414	1.1
157.01456	1.3
157.12376	1.1
159.08180	6.8
161.09734	11.3
162.09952	0.5
174.57422	0.5
175.02444	1.7
178.99838	0.7
179.10794	16.2
180.11134	0.9
183.28557	0.4
185.11818	1.4
189.04111	0.5
191.01950	3.1
203.12883	8.4
204.06569	0.6
204.13219	1.0
205.07071	1.1
205.08752	0.6
207.05066	0.8
231.05083	1.8
237.14847	0.6
245.09422	0.6
245.13957	5.9
246.14218	0.8
249.06152	12.4
250.06552	0.7
255.02940	1.7
267.07196	18.6
268.07584	1.2
271.02484	4.0
294.09937	0.5
300.02740	7.7
301.03476	5.2
411.16473	1.4
433.07745	11.5
434.08008	1.4
455.15674	2.3
473.16861	2.6
517.19226	1.1
547.20178	6.0
548.20361	0.9
590.31116	0.8
615.85931	0.5
635.12653	0.6
661.23712	1.3
690.29822	0.5
705.22656	1.4
709.08862	0.5
723.23700	100.0
724.23737	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.1
57.03445	4.0
58.00585	0.6
59.01379	13.2
59.01679	0.8
61.98830	0.4
67.01885	0.8
68.99812	1.6
69.03442	1.7
71.01384	20.5
71.72060	0.6
72.99311	6.8
73.02965	2.2
75.00877	16.0
81.03461	0.7
83.01398	2.0
85.02956	27.6
86.03278	0.8
87.00883	7.7
89.02450	4.8
91.04023	1.5
93.03473	0.9
95.01396	5.1
96.96021	4.3
97.02975	0.7
98.80801	0.4
99.00883	10.3
101.02452	1.2
103.00398	2.1
108.19764	0.3
109.02936	1.2
111.00891	1.7
111.04526	0.5
112.01663	0.4
113.02458	23.0
114.02783	0.7
115.00368	3.0
117.01945	2.3
129.01956	2.5
130.99818	0.4
131.03510	0.7
133.10202	0.8
135.11804	3.8
137.02515	0.4
139.00403	0.7
143.08665	0.8
146.07295	0.4
147.03006	1.0
149.04497	0.4
152.23238	0.3
153.01956	0.4
157.01408	1.2
159.08141	2.4
160.92334	0.3
161.09735	8.6
162.10078	0.5
175.02513	2.2
179.10783	14.1
180.11130	0.9
189.04044	0.5
191.01968	3.0
193.03444	0.5
193.05017	0.3
193.37108	0.3
196.63615	0.4
205.07135	1.1
205.08762	0.4
207.05148	0.8
223.09929	0.7
223.13443	0.4
231.05064	1.4
249.06125	13.5
250.06482	0.6
259.02835	0.4
264.13992	0.3
267.07175	13.4
268.07745	0.5
300.02637	0.4
411.16797	0.8
429.17691	0.8
433.17157	0.4
439.09979	0.4
455.15485	1.1
463.08783	0.7
473.16425	1.5
547.20245	5.8
548.20367	0.6
661.23273	0.8
705.22571	1.9
720.36871	0.4
723.23669	100.0
724.24066	20.4
724.37231	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.3
59.01376	24.4
63.02401	0.5
65.00319	0.9
65.49661	0.5
68.60389	0.4
69.38540	2.3
69.38969	2.3
70.02967	0.5
71.01383	1.4
72.99310	0.8
74.02481	1.1
79.95750	0.9
83.01389	1.2
85.02953	3.7
87.00877	1.0
89.02483	0.9
93.59431	0.4
95.70172	0.4
95.95287	0.7
96.96020	2.8
98.95619	0.6
101.02489	0.6
107.01414	1.8
108.02229	0.9
109.02958	1.7
113.02473	1.2
113.09761	0.8
116.05085	0.9
121.02974	1.5
125.02491	0.5
125.09734	1.0
127.11338	0.8
129.01959	0.5
139.11292	0.8
142.06639	7.3
147.03049	0.8
148.01654	0.7
149.02586	0.4
151.00392	9.6
152.00758	0.6
153.01878	0.5
155.10829	2.5
157.12366	14.3
158.06145	0.7
158.12714	0.5
163.00415	3.1
165.11324	0.4
165.38438	0.5
169.01488	0.7
173.00815	0.5
178.99878	6.6
185.11850	12.1
186.05637	4.2
186.12183	0.6
187.04123	0.5
191.02046	1.3
203.08447	1.5
203.12892	87.6
204.06645	6.4
204.13249	5.6
211.04002	0.7
213.01814	0.5
226.02686	1.2
227.03435	2.1
229.05054	0.8
230.59373	0.6
243.02982	5.0
244.03523	0.7
245.04561	1.7
245.09538	2.8
245.13925	64.0
246.07695	4.3
246.14285	4.3
254.02202	1.6
255.02977	18.7
256.03479	1.6
257.04306	0.6
267.07355	1.1
271.02454	33.1
272.02875	3.6
273.04010	1.5
283.02475	1.9
299.01935	0.9
300.02756	64.5
301.03497	57.0
302.03848	4.3
343.91986	0.4
411.81223	0.5
433.07745	100.0
434.08054	12.4
517.19360	1.5
538.37219	0.5
591.32025	0.5
592.23767	0.5
620.60083	0.5
707.18243	0.5
723.24005	2.1
740.56519	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.8
57.03447	12.6
59.01377	6.9
67.37748	0.3
68.99809	0.9
71.01385	7.7
71.71946	0.8
72.99309	1.6
73.02956	1.3
75.00881	2.7
77.57128	0.3
83.01395	3.5
84.02174	3.1
85.02958	100.0
86.03275	1.9
87.00877	1.8
89.02455	2.3
96.96025	3.8
99.00859	1.1
101.02464	1.6
103.00386	1.4
111.00902	5.5
115.00382	1.3
119.05042	0.8
119.32497	0.4
129.01955	10.5
133.01468	3.1
133.02946	1.6
134.03789	3.2
145.01437	0.7
147.03012	14.1
160.46384	0.4
163.04045	0.7
168.83942	0.5
173.00931	3.6
175.04056	0.8
191.01987	69.2
192.02330	2.5
193.05087	1.8
205.03499	1.1
209.03032	72.5
210.03407	2.6
223.04596	1.7
225.24936	0.4
226.70695	0.4
250.09123	0.4
337.05734	0.9
345.64426	0.4
357.09766	2.1
367.06531	1.0
384.69623	0.4
385.07715	20.2
385.11874	3.9
386.08044	1.9
386.12411	0.8
487.12451	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.2
57.03442	1.1
58.00590	2.2
59.01379	34.3
61.29721	0.5
61.98817	2.0
65.83125	0.5
69.03448	1.7
69.54350	5.6
71.01386	28.7
72.99328	3.1
73.02954	4.8
78.95922	0.7
81.03448	1.1
83.01400	3.7
83.04987	0.7
85.02966	6.0
87.00883	5.9
89.02451	21.2
90.02805	0.7
95.01402	1.5
96.96017	1.2
97.02963	4.9
97.99460	0.5
99.00896	1.8
101.01774	1.3
101.02455	21.6
102.02848	0.8
111.04516	0.8
113.02460	10.9
115.03996	0.7
119.03519	6.4
125.02455	10.5
131.03510	1.3
133.05077	1.1
135.38368	0.6
136.69014	0.6
139.03999	0.7
141.01866	0.7
143.03519	4.2
161.04568	5.7
167.03474	0.9
179.05612	4.2
180.31996	0.6
185.04457	0.7
199.06226	0.7
221.06712	1.8
235.08228	12.1
253.09286	1.5
255.23270	1.8
263.07697	1.3
263.20142	63.8
264.20514	6.7
275.87482	0.6
277.09305	0.8
287.07663	2.9
305.08768	4.2
323.09918	1.2
397.13522	100.0
398.13773	7.4
398.18533	0.9
415.14606	29.5
416.15176	3.3
461.83020	0.7
661.34546	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	723.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.7
55.22558	0.3
57.03449	14.1
59.01384	6.1
60.44070	0.3
61.37341	0.3
65.87118	0.3
68.99816	0.6
70.42635	1.2
71.01387	4.5
72.99310	2.1
73.02944	0.8
75.00883	2.9
75.29153	0.3
79.95754	0.3
83.01394	3.0
84.02168	2.3
85.02960	100.0
86.03286	2.6
87.00891	0.7
89.02454	0.5
96.96036	1.5
99.00864	0.7
99.73121	0.3
101.02460	1.1
103.00392	1.5
111.00896	4.7
115.00405	0.8
117.03490	0.8
119.05051	0.7
129.01959	7.9
133.01425	0.5
134.03764	3.7
145.01447	0.4
145.02982	1.9
147.03018	17.8
148.03403	0.7
163.02742	0.4
163.04062	1.1
173.00949	2.7
191.01994	69.7
192.02377	2.2
193.05083	2.2
209.03049	20.7
210.03326	0.8
223.04663	0.5
242.12750	0.3
293.06729	1.9
320.35840	0.3
337.05887	1.6
337.09680	0.3
349.06104	1.4
351.06488	0.4
357.09708	0.8
367.06805	1.0
385.07767	19.9
386.08096	2.0
386.12531	0.3
531.11176	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.4
58.92231	0.9
59.01378	16.4
60.99306	23.7
61.98825	18.7
69.03458	1.3
70.31081	1.0
71.01393	8.1
71.72943	1.3
71.73328	1.1
72.99298	1.4
73.02954	2.7
73.86934	1.0
75.00872	3.0
78.95918	0.9
79.95761	1.7
83.01396	1.5
85.02961	5.9
87.00854	1.1
88.04030	1.0
88.98812	100.0
89.02474	2.9
95.95282	1.6
96.96015	17.4
99.00889	1.4
101.02450	3.7
107.03758	1.5
109.29025	0.9
110.06145	2.3
113.02462	5.4
115.00365	1.1
120.08213	12.7
121.02967	1.2
122.06133	23.6
129.01947	1.2
134.06145	1.2
135.04604	1.7
144.04532	2.3
150.03230	1.4
160.04065	2.3
161.04581	1.2
164.07204	1.4
174.05605	2.0
185.00888	1.3
203.05968	2.3
223.08688	1.6
236.09462	1.8
237.10252	1.6
241.00267	1.3
241.13411	1.8
249.13930	1.4
251.11896	10.7
252.12454	1.2
263.08353	1.9
263.11819	3.0
264.08939	2.9
265.13382	2.6
267.11340	1.3
276.09085	1.8
277.09793	9.1
278.10410	3.7
279.11237	2.4
281.09134	1.9
283.10809	1.5
291.11340	13.9
292.12143	15.4
293.12906	11.9
295.10663	1.1
296.11343	1.3
310.09399	1.3
314.06946	1.0
315.13574	1.3
324.11060	1.9
335.10397	5.1
336.11035	7.0
337.11874	3.3
343.12790	1.4
356.73886	1.1
360.17255	2.2
372.17099	5.3
373.18082	1.4
374.18518	1.8
386.14847	1.4
390.18939	1.4
394.56723	1.2
402.18112	1.5
405.15353	1.2
406.17386	1.8
414.18152	5.6
415.18936	2.2
418.17902	4.9
432.19366	2.7
447.17911	1.2
458.17377	2.2
459.17825	3.0
476.18115	6.6
477.18909	3.3
490.19528	2.5
508.20886	27.2
509.21246	3.9
537.25153	3.0
555.26093	3.9
581.24146	4.1
599.25116	33.5
600.25317	6.6
613.27136	7.3
614.26672	1.7
631.27838	67.3
632.28162	15.5
677.32269	1.8
721.30762	5.3
732.88196	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26556	0.1
59.01377	0.3
61.98845	0.7
62.15248	0.1
64.94019	0.1
71.01407	0.3
71.72869	0.2
71.73269	0.2
73.02947	3.4
78.95895	0.2
79.60471	0.1
84.04776	0.1
89.02406	0.2
92.92300	0.1
99.00893	0.4
99.92595	8.6
100.92607	0.3
114.93430	0.3
115.00366	0.2
116.92876	100.0
116.97245	1.7
117.01952	7.1
117.92881	6.0
192.09557	0.1
211.25752	0.1
277.21732	0.5
281.95758	0.1
388.78662	0.2
553.19147	0.2
629.21149	0.7
646.63446	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.9
60.01712	0.2
61.98832	100.0
65.71432	0.2
67.09032	0.2
71.73359	0.3
78.95916	0.2
112.36198	0.2
483.27002	0.4
499.14258	0.3
514.16553	0.3
573.18890	0.4
602.21802	0.7
622.03333	0.3
659.23035	0.3
660.23914	0.2
719.24823	0.4
720.24005	4.1
721.22424	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	0.5
58.98897	0.2
59.01382	1.7
70.39042	0.3
71.01375	1.5
71.71734	0.2
71.72133	0.3
72.99314	0.4
73.02941	0.6
75.00897	0.3
79.95751	1.7
80.96519	1.2
83.01377	0.5
85.02962	4.0
87.00854	0.5
89.02457	0.3
92.05064	0.3
95.95255	0.9
96.96021	49.1
97.95961	0.3
98.20026	0.2
98.95599	0.4
98.96458	0.3
99.00880	0.4
99.04562	0.3
101.02456	1.4
106.82991	0.2
107.05000	0.2
111.00911	0.4
113.02459	0.6
119.05002	0.2
120.01244	0.4
121.02972	0.4
122.97580	0.9
129.01949	0.7
135.04584	0.3
138.97093	0.6
147.02985	0.3
150.97121	1.0
163.04053	0.3
164.03517	2.6
164.98627	0.4
165.02002	0.3
180.98129	0.8
191.01955	0.9
191.03578	0.2
193.05257	0.2
195.06604	0.7
196.06938	0.3
196.64900	0.2
205.03493	0.5
209.03018	0.5
223.04630	0.5
241.00217	2.9
249.06078	0.3
323.13651	0.3
349.05984	100.0
350.06317	7.8
351.05991	0.3
352.06281	0.2
361.09613	0.8
362.10205	0.4
555.16040	0.4
719.11554	0.3
719.22845	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01712	0.6
61.98830	17.2
62.49870	0.6
71.28441	1.3
78.95889	0.8
93.65298	0.6
104.52157	0.6
114.09953	0.7
116.02744	0.7
133.06537	0.7
152.76086	0.6
308.50183	0.6
317.19592	0.6
351.05225	0.6
397.13617	1.6
401.36264	0.6
438.09436	1.0
452.11652	0.8
453.11411	1.5
454.11954	0.7
455.17459	0.8
457.18790	1.6
458.18854	0.6
459.16843	2.0
467.13614	1.8
480.14532	1.4
481.10559	2.9
482.11356	0.7
493.15125	1.2
495.13080	1.3
495.17096	0.7
496.13739	14.2
496.20657	1.0
497.14377	10.5
498.15186	2.7
509.14679	0.9
510.15591	5.8
511.16202	8.1
512.17017	4.1
513.17755	4.8
523.16119	1.3
528.12280	1.1
530.14343	1.8
538.14954	1.6
539.18579	2.0
540.19098	0.9
542.13818	0.8
544.15894	4.9
545.16302	1.9
551.16089	1.2
552.15961	0.7
553.16785	0.8
567.18909	9.1
568.19403	2.3
570.17450	2.0
571.18414	10.8
572.18500	2.8
583.18665	1.3
589.19281	1.7
597.20148	3.1
598.20715	3.9
599.21521	31.6
600.21680	9.1
602.16632	2.0
603.16528	0.9
625.19470	1.0
626.20612	0.8
630.19562	2.2
631.20459	1.9
657.22119	15.8
658.22430	5.3
717.24292	83.8
718.24609	29.8
718.34143	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46024	0.1
57.07589	0.1
58.21647	0.1
59.01382	0.5
61.98830	100.0
62.98526	0.2
68.03516	0.1
71.01392	0.2
89.02473	0.1
98.19877	0.1
101.02467	0.1
113.02453	0.1
151.36728	0.1
175.10844	0.1
216.43361	0.1
229.37749	0.1
235.08115	0.1
255.23189	0.3
256.23578	0.3
257.24008	0.2
307.88080	0.1
397.13568	0.2
398.14087	0.2
399.13980	0.4
400.14560	0.2
416.15256	0.1
417.15005	0.1
418.15738	0.1
496.14026	0.1
656.40399	0.1
690.74481	0.1
717.24902	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78247	0.1
59.01378	0.2
61.98830	100.0
62.98530	0.2
71.01395	0.2
71.57309	0.1
87.00970	0.1
89.02460	0.2
91.45598	0.1
101.02477	0.1
112.49566	0.1
115.00440	0.2
117.03476	0.1
119.05013	0.5
120.05379	0.1
140.57109	0.1
147.04619	0.1
158.01704	0.1
177.05577	0.1
187.02522	0.1
189.05626	0.2
204.29692	0.1
217.05067	0.1
223.10419	0.1
238.12813	0.1
255.23294	0.3
256.23785	0.3
257.23956	0.1
335.08273	0.1
397.13702	0.2
398.14020	0.3
399.14160	0.4
400.14496	0.2
513.94324	0.1
716.34045	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.2
57.03449	4.8
58.00581	1.7
59.01377	32.8
69.03447	1.6
69.37834	6.4
69.38245	2.7
71.01383	35.9
72.99313	9.4
73.02945	7.9
75.00876	18.1
79.95754	8.3
80.96502	1.3
83.01387	4.7
85.02441	1.6
85.02955	31.4
87.00885	9.3
89.02452	17.0
95.01395	7.9
95.95237	10.3
96.96021	60.9
99.00887	13.2
101.01794	1.0
101.02454	18.8
103.00352	2.4
111.00880	2.5
113.02458	34.8
114.02745	1.1
115.00375	2.3
117.01948	2.2
119.03508	5.6
120.01277	4.7
120.07398	0.9
123.00883	1.1
125.02417	1.1
129.01917	2.4
134.03728	0.8
138.97063	1.9
143.03502	0.8
147.04619	1.1
150.03233	2.0
150.52939	0.8
150.97063	1.5
151.75955	0.8
159.02957	0.9
161.04497	2.1
165.05568	1.4
166.99896	1.4
175.02451	3.1
177.03998	2.3
179.05574	3.2
182.02214	1.9
191.02016	1.4
195.06642	1.1
197.04536	3.4
205.07170	1.1
225.00821	1.4
225.14970	1.7
231.05116	1.1
241.00269	8.4
249.06117	14.8
250.06235	1.1
256.99698	2.1
267.07199	4.3
267.09515	0.7
269.04877	1.8
290.72498	0.9
293.69345	0.8
369.19345	1.4
387.20239	22.3
388.20444	3.9
447.09323	1.2
507.20261	5.0
537.21381	1.5
541.19434	2.0
631.25610	0.9
637.27228	82.6
638.27399	15.1
685.44006	1.1
717.22931	100.0
718.23291	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	716.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74466	0.2
57.03442	0.3
57.23944	0.2
59.01381	2.7
61.98822	2.2
70.00388	1.2
71.01372	1.3
72.99289	0.3
73.02941	0.3
75.00890	0.3
77.21735	0.2
79.95777	0.3
83.01382	0.3
85.02962	0.9
87.00904	0.2
88.98809	0.6
89.02467	0.4
96.96019	3.0
98.19968	0.4
99.00918	0.4
99.04521	0.2
101.02448	0.5
110.46114	0.2
112.73439	0.2
113.02482	0.6
118.98105	0.2
119.03555	0.2
119.05032	1.2
120.01264	100.0
121.01669	1.8
121.02950	0.3
123.04460	0.2
125.02429	0.2
127.10361	0.2
129.70966	0.2
136.01666	0.5
137.02428	0.2
147.02972	0.2
149.02405	0.2
150.03227	0.4
151.04094	0.3
153.01924	0.2
160.01727	0.2
161.02531	0.3
161.09793	0.2
163.04027	0.6
165.05612	0.5
167.03389	0.3
175.04021	0.4
177.79773	0.2
192.99677	0.2
193.05116	0.3
195.06673	0.3
209.03116	0.3
220.09738	0.3
241.05243	0.3
250.10733	0.3
302.91095	0.3
450.44611	0.2
485.88876	0.2
498.28952	0.2
532.12958	0.2
540.82007	0.2
626.16327	0.4
635.85455	0.2
645.12189	0.2
716.25977	1.0
717.30585	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.3
59.01376	3.5
61.98831	3.9
62.03650	0.2
69.03456	0.3
69.54081	1.7
71.01379	2.5
73.02949	0.5
75.00858	0.4
75.99003	0.2
78.46449	0.2
79.95756	0.3
83.01407	0.2
85.02965	1.6
87.00897	0.5
88.04055	1.8
88.98804	0.5
89.02464	0.6
95.01404	0.3
96.96021	4.2
97.21023	0.2
98.20056	0.7
98.20621	0.3
98.80862	0.2
98.95592	0.2
99.00850	0.2
101.02473	0.5
101.70869	0.2
108.04548	0.2
109.03029	0.2
113.02474	1.0
115.00388	1.3
119.05075	0.3
120.01266	100.0
121.01648	1.7
121.02982	0.7
122.03771	0.5
123.04520	0.3
129.01904	0.4
132.03043	0.9
134.03778	0.6
135.04526	1.0
143.03603	0.2
146.03728	0.4
149.02469	0.9
149.06104	0.5
150.03256	2.7
151.03938	0.6
153.05573	0.3
160.04070	0.2
161.06039	0.4
163.04144	0.2
164.04793	0.4
165.05603	2.4
175.02499	0.2
175.03951	0.3
177.05635	0.2
179.03516	0.3
179.05862	0.6
179.07156	0.6
180.04320	0.3
180.06540	0.2
181.05087	0.3
191.02002	0.3
192.99658	0.3
193.05093	0.2
194.08246	1.4
195.06714	1.0
195.08124	0.2
197.45891	0.2
209.08095	0.4
211.13313	0.3
220.09756	0.7
239.11771	0.2
241.00256	0.3
241.05257	0.4
250.10870	0.3
266.10269	0.3
267.07117	0.4
461.24191	0.2
601.22522	0.2
631.01508	0.2
673.26404	0.3
716.25433	6.7
717.25128	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	715.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68331	0.6
55.01871	1.4
57.03452	3.7
58.00596	1.0
59.01379	100.0
60.01698	1.4
61.98829	12.9
63.67267	0.5
65.92625	0.7
69.03469	1.4
69.62206	3.0
69.62627	2.2
71.01387	40.5
72.99311	3.1
73.02954	10.9
75.00889	1.1
75.73849	0.5
83.01385	4.4
85.02958	18.1
85.03445	1.0
86.00129	0.6
87.00881	4.0
89.02451	14.3
94.75131	0.7
95.01399	3.9
95.95291	0.7
96.96018	6.3
97.02970	1.5
99.00909	4.3
101.02463	20.9
111.00931	2.2
112.01705	1.0
113.02466	19.8
119.03538	4.4
120.05839	2.7
123.04473	0.7
124.01633	0.6
125.02483	1.6
131.03564	1.6
135.08182	13.4
143.03554	2.1
149.04643	1.5
151.07739	0.7
157.02919	0.6
159.03040	2.3
161.04565	5.8
179.05682	2.0
179.07097	0.9
188.20151	0.6
198.23676	0.6
247.68239	0.6
301.03516	0.7
382.36581	0.7
439.26941	1.0
457.28314	4.2
475.29102	4.6
517.30426	1.2
539.28680	2.0
593.36951	1.7
611.34467	74.8
612.34882	16.4
629.35510	34.0
630.35822	8.7
671.36646	15.4
672.37781	4.1
715.38507	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	712.4299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.9
61.98832	100.0
62.58932	0.1
62.98568	0.3
63.14264	0.2
63.99250	0.2
65.13020	0.1
68.58586	0.2
69.51289	1.5
71.01413	0.2
98.04439	0.1
98.20670	0.3
110.81877	0.2
113.02405	0.2
171.10323	0.5
247.17281	0.2
263.20032	0.2
277.21835	0.9
278.22137	0.8
279.22534	0.4
280.22650	0.2
649.39465	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	28.0
61.98827	5.4
69.03458	2.1
71.01382	32.0
71.72706	1.9
72.99323	2.5
73.02952	7.6
83.01398	4.9
85.02951	10.5
87.00883	21.1
89.02454	23.6
95.01414	4.0
96.96026	2.4
97.02965	5.5
99.00874	3.0
101.02461	31.0
109.64172	1.9
109.84741	1.7
113.02463	17.6
119.03506	8.3
125.02442	15.9
131.11871	1.7
143.03535	6.2
161.04561	9.2
171.10266	5.0
179.05617	4.8
221.06746	2.1
235.08234	16.9
253.09306	10.6
255.23277	89.5
256.23648	11.0
265.14752	2.5
269.24890	2.4
287.07684	6.3
301.75827	2.0
305.08783	5.5
323.09833	3.3
397.13525	100.0
398.13824	8.2
415.14563	54.7
416.14749	5.9
653.36981	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	715.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39107	0.4
55.01870	0.4
57.03446	1.5
58.00560	0.3
59.01376	14.7
60.93310	0.4
62.57178	0.3
66.65473	0.3
69.03474	0.3
71.01377	4.2
71.49168	0.8
72.99314	0.5
73.02953	0.7
75.00857	0.5
78.95905	0.3
79.95741	11.6
80.33136	0.3
80.96521	3.1
83.01418	1.0
83.18217	0.4
85.02959	8.7
87.00927	0.6
89.02470	2.6
94.89082	0.3
95.95238	2.4
96.96021	100.0
99.00887	0.5
101.02457	1.5
103.00379	8.4
104.85558	0.3
107.23790	0.4
113.02464	1.3
115.00362	0.3
119.03522	0.4
119.05036	0.4
120.01277	0.5
120.96081	0.5
122.97643	0.5
125.02399	0.3
129.01978	1.4
134.97620	0.5
138.97047	1.0
147.02975	0.7
150.03264	0.7
150.97070	1.2
152.98645	1.8
160.50783	0.3
163.03972	0.5
164.98619	4.1
165.05603	0.5
175.02536	0.4
176.98563	0.4
177.04097	0.5
180.98119	2.1
187.02759	1.5
191.01959	3.8
195.06544	0.8
209.03024	3.9
219.01712	0.5
225.00755	0.4
238.98640	0.6
239.16331	0.7
241.00226	3.3
256.99686	3.6
283.01404	0.4
299.00748	1.0
309.08795	1.4
327.09875	4.5
328.09973	0.6
341.11121	0.5
343.11951	0.5
355.06592	0.8
359.12396	1.0
391.14105	0.6
421.26324	0.4
425.11029	0.5
449.14767	0.5
523.17194	1.2
591.26886	0.8
611.20001	0.7
629.21307	53.7
630.21613	10.1
671.22339	21.0
671.34064	0.6
672.22626	4.0
697.19989	1.5
715.21356	52.1
716.21710	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	715.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89727	0.3
57.03438	0.7
57.51726	0.3
58.29142	0.3
59.01090	0.6
59.01382	12.4
70.34396	1.2
70.34791	0.8
71.01393	3.3
71.50889	0.3
72.99306	0.7
73.02953	1.1
79.95741	8.1
80.96516	4.7
83.01400	0.7
85.02959	6.4
87.00870	0.9
87.08533	0.3
89.02466	1.9
95.95236	1.2
96.96020	100.0
97.95959	0.5
99.00864	0.4
99.24909	0.4
101.02460	2.6
103.00381	7.0
113.02472	1.6
120.01239	0.6
120.96038	0.4
122.97570	0.6
129.01923	0.9
134.03806	0.5
138.97107	1.0
147.03017	0.7
149.06119	0.4
150.97185	0.8
152.98630	1.2
161.04572	0.8
164.98647	3.7
167.03589	0.4
180.98088	2.1
181.14355	0.4
187.02782	0.6
191.02022	2.4
195.10384	0.4
209.03052	1.1
222.99313	0.4
225.00838	0.3
241.00215	3.6
256.99771	0.8
327.09927	0.9
353.09369	0.5
356.03787	0.3
363.07657	1.0
373.12842	0.5
449.14984	0.5
451.16492	2.5
493.17072	0.8
523.16949	0.5
531.24194	0.4
591.27234	0.6
611.20172	0.9
629.21313	50.3
630.21619	8.1
671.22253	24.8
672.22577	4.7
697.20251	1.0
715.21399	63.3
716.21710	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	715.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51317	0.4
55.01860	0.4
57.03446	1.1
59.01380	13.0
61.98829	1.1
70.12839	0.4
71.01381	4.1
71.72502	0.7
72.99312	0.7
73.02962	1.8
75.00899	0.9
79.95747	7.3
80.96519	3.8
81.03522	0.3
83.01405	0.9
85.02964	7.7
86.76631	0.4
87.00867	0.9
89.02455	1.5
95.95236	1.8
96.96023	100.0
99.00898	0.5
101.02446	2.1
103.00380	6.6
111.00932	0.6
113.02455	1.5
115.00356	0.4
119.03529	1.0
120.01260	0.6
121.02965	0.7
122.97618	0.9
129.01968	0.7
131.03511	0.7
134.03738	0.6
138.97061	0.6
147.02991	1.0
150.03220	0.7
150.97072	0.7
152.98634	1.5
161.04491	0.4
162.05714	0.5
164.98657	4.2
166.06313	0.7
169.93492	0.4
175.02557	0.5
179.05632	0.7
180.58452	0.4
180.98135	1.6
187.02768	0.4
191.01967	2.8
195.06595	0.8
197.15482	0.6
209.03052	2.2
223.04364	1.0
239.16460	0.9
241.00227	4.2
247.78029	0.4
256.99734	0.6
307.12354	0.9
309.08890	0.6
327.09726	1.2
329.09106	12.8
330.09283	0.9
343.11716	0.4
373.12637	0.5
377.14536	0.5
405.00684	0.5
446.12302	0.5
449.14951	0.8
451.16354	1.3
467.16272	0.7
523.17627	0.5
549.25165	0.4
611.19849	0.9
629.21295	43.0
630.21661	7.5
659.70172	0.4
671.22339	22.0
672.22943	4.7
697.20074	0.7
715.21332	51.1
716.02356	0.5
716.21686	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	711.3823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.9
57.03442	0.8
58.00591	1.1
59.01377	25.4
60.01692	0.4
61.98825	1.1
68.99808	0.4
69.03446	1.9
71.01382	22.5
71.05408	0.3
72.99316	2.1
73.02948	3.4
75.00877	0.4
78.95901	0.6
81.03472	0.8
83.01394	2.3
85.02953	4.5
87.00880	5.1
89.02447	22.9
91.04032	0.4
95.01403	1.7
97.02965	3.9
98.20683	0.7
99.00896	1.5
101.02450	18.6
102.02846	0.5
107.96327	0.3
111.00896	0.5
111.04520	1.3
113.02454	9.0
115.03996	0.6
119.03506	5.2
121.03001	0.5
125.02456	7.8
127.04056	0.4
131.03491	1.3
133.05147	0.5
137.02480	0.4
139.04086	0.5
143.03508	3.5
149.04500	0.6
157.05125	0.4
161.04561	4.2
169.05099	0.5
177.51762	0.3
179.05606	3.4
183.92097	0.4
217.07149	0.4
221.06712	1.2
235.08211	9.1
236.08522	0.4
245.06657	0.5
253.09315	1.9
253.21704	58.3
254.22034	5.6
263.07611	0.5
277.21704	10.7
278.22040	1.3
287.07684	2.9
305.08789	3.3
311.72101	0.3
323.09766	1.1
361.11444	0.6
379.12527	0.6
397.13501	100.0
398.09967	0.2
398.13809	9.8
415.14557	28.5
416.14789	2.6
425.40689	0.4
533.12726	0.3
640.32489	0.4
651.36127	3.7
652.36334	0.7
675.35815	2.5
676.36890	0.5
711.33807	13.2
712.34027	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20382	0.4
55.01874	1.7
56.70183	0.3
57.03449	13.0
59.01376	7.5
68.99819	1.1
71.01381	5.1
71.04973	0.7
72.99328	1.3
75.00882	1.8
77.36443	0.4
83.01405	2.1
84.02174	2.5
85.02959	100.0
86.03293	2.5
87.00878	1.1
89.02448	2.2
89.44276	0.4
98.20458	0.4
101.02419	0.8
103.00384	1.7
111.00893	3.9
115.00407	0.9
119.05034	2.3
129.01962	7.9
133.01448	2.6
145.01479	0.4
147.03006	10.9
163.03998	2.4
173.00938	2.4
189.74876	0.4
191.01991	52.6
192.02368	2.0
209.03033	62.9
210.03381	1.9
272.40964	0.4
281.59778	0.4
319.59924	0.4
337.05588	1.4
355.06711	26.6
356.07034	3.1
432.04523	0.4
506.54401	0.4
668.18939	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3827
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70516	1.1
57.03445	1.1
59.01380	28.9
59.29209	0.9
61.98842	8.1
69.03461	1.4
71.01389	22.2
71.73192	1.9
72.99329	2.7
73.02955	3.8
76.37489	1.0
83.01418	1.7
85.02975	6.0
87.00899	7.0
89.02454	23.7
94.02185	1.0
95.01379	2.4
97.02962	3.9
99.00915	2.7
101.02460	17.8
113.02467	10.6
119.03513	6.7
125.02480	7.5
125.62778	1.1
131.03534	1.4
133.05107	1.5
143.03534	2.8
161.04581	4.4
168.00543	1.0
179.05614	3.8
216.31282	1.2
235.08224	8.9
245.06612	1.4
253.09303	2.2
253.21713	77.6
254.22087	7.0
277.21793	1.4
287.07703	3.4
305.08704	3.8
397.13538	100.0
398.13766	9.0
415.14584	32.1
416.14938	2.3
506.73654	1.2
531.12854	1.1
651.36017	4.5
652.36932	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	710.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91306	0.1
57.43299	0.1
59.01376	2.0
60.01715	0.2
61.01828	0.2
61.98829	100.0
62.98534	0.1
62.99271	0.1
69.96633	0.4
131.33841	0.1
131.59985	0.1
161.09286	0.1
248.27539	0.1
277.21805	0.3
278.22226	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.1
60.01717	0.2
61.01815	0.2
61.98829	100.0
62.98539	0.2
71.28236	0.1
96.16763	0.1
131.69037	0.0
145.01891	0.1
147.12296	0.1
172.74359	0.1
206.62225	0.1
277.21768	0.2
278.21985	0.3
279.22479	0.1
346.45499	0.1
626.45129	0.1
710.40222	0.1
722.73907	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.2
57.03452	12.8
59.01377	66.9
60.01691	1.9
61.98832	49.4
67.05530	7.5
69.03457	15.4
71.01390	37.3
71.05030	2.3
71.73409	2.9
72.99310	7.4
73.02944	15.6
75.00886	4.8
79.95740	2.8
81.03468	15.7
82.78655	1.7
83.01411	7.7
83.05033	6.2
85.02954	30.2
87.00881	4.5
87.04546	2.5
88.98830	3.6
89.02453	14.2
91.05537	2.7
93.03465	3.4
95.01417	2.7
95.05038	3.4
96.96020	31.3
97.02978	3.9
97.06592	5.7
99.00890	6.0
99.04550	3.2
101.02470	16.7
103.04026	2.6
107.05046	6.9
109.02992	2.1
109.06611	15.5
111.04530	100.0
112.04883	2.8
113.02453	18.4
113.06095	5.7
115.00425	1.7
119.03519	4.0
119.05042	1.9
119.08682	77.6
120.09028	3.5
121.02988	5.2
121.06596	2.7
123.04574	10.0
123.08151	2.2
125.02470	2.6
125.06097	11.9
125.09746	15.5
127.04122	2.9
129.01944	2.6
135.04549	1.9
135.08179	3.7
137.09746	6.2
139.11340	2.7
143.03542	1.7
147.03082	1.9
147.04533	1.7
151.07608	8.4
153.05527	2.3
161.04564	2.5
161.09709	4.3
163.04045	1.6
163.06302	2.6
163.07657	38.3
164.07974	2.3
165.09225	4.4
169.08734	27.2
176.04832	1.8
179.05615	1.7
179.10767	2.8
180.97955	2.0
181.08717	68.0
182.09004	2.2
183.10275	15.3
191.01921	3.9
193.08688	9.1
195.10356	2.0
199.09724	8.0
203.07297	1.8
211.09760	3.7
223.09741	7.2
249.06090	3.2
267.07297	3.4
292.19955	1.9
293.20175	2.0
309.13461	11.2
309.20712	2.6
310.20871	3.3
325.12927	1.8
327.14560	11.4
345.15845	3.3
371.09991	3.1
402.74356	2.2
421.18854	2.9
473.21988	2.3
479.22971	17.9
480.23221	3.3
491.22726	34.0
492.22974	3.4
497.23734	21.4
498.24335	3.9
509.23941	38.5
510.24231	6.9
516.02338	2.1
527.24939	11.9
577.19507	2.0
585.26947	2.0
603.28802	2.4
607.37299	3.0
611.05389	2.0
631.31293	6.5
631.93616	1.9
632.32062	2.7
643.31287	26.0
644.31860	6.9
649.31738	22.5
650.32520	5.2
655.31409	20.3
656.31451	5.0
661.32361	68.8
662.32849	16.6
665.35236	6.7
666.35577	2.3
667.39386	4.0
673.32562	42.4
674.32843	11.6
679.33502	26.1
680.33563	5.9
691.33685	20.0
692.33569	3.8
709.35437	32.2
710.35461	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	709.4555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11199	0.1
55.01870	0.2
57.03453	0.3
59.01380	37.0
60.01716	0.3
61.98832	8.0
64.01246	0.1
64.67323	0.2
69.53092	1.5
71.01385	5.7
72.99297	0.2
73.02956	1.6
75.00867	0.2
83.01400	0.9
85.02962	2.9
85.03452	0.2
87.00866	0.2
89.02456	0.6
89.55277	0.1
91.18517	0.1
95.01409	0.4
99.00876	0.9
101.02459	3.6
113.02471	2.5
113.79446	0.2
143.03539	0.3
147.11847	0.4
152.99565	0.2
159.03123	0.3
161.04572	1.9
163.92441	0.1
169.55038	0.1
197.98715	0.2
201.11360	0.2
209.11682	0.2
227.16501	0.2
233.22792	0.2
259.20630	0.3
275.20148	0.3
277.21713	100.0
278.22049	11.0
278.25198	0.3
291.23251	0.3
371.20743	0.4
389.21811	10.0
390.22073	1.2
473.18457	0.1
649.42645	0.4
738.78613	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78305	0.2
59.01376	3.2
60.01712	0.4
61.98830	100.0
62.98539	0.3
63.98857	0.2
65.65206	0.2
69.51800	0.2
71.72995	0.3
71.73378	0.2
78.95908	0.3
96.96042	0.4
106.82315	0.2
114.70552	0.2
155.57887	0.3
213.15054	0.3
255.23209	0.3
277.21765	0.7
278.22180	0.4
279.23151	0.4
370.12122	0.2
533.84314	0.3
623.04645	0.3
711.39734	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09026	0.6
55.01882	0.9
57.03448	2.7
59.01382	27.5
59.89320	0.6
60.41488	0.6
61.98831	16.0
69.03458	0.9
71.01386	14.9
71.73268	1.0
72.99322	1.7
73.02943	5.2
75.00878	2.9
75.85363	0.6
78.95907	0.9
79.95727	6.4
80.96531	2.0
83.01401	3.3
83.05024	1.1
83.58624	0.6
85.02958	13.7
87.00894	3.2
88.98818	0.9
89.02453	6.2
93.03477	1.4
94.03024	1.2
95.01381	1.3
95.95238	7.7
96.96023	95.1
97.02980	0.7
97.95946	0.6
99.00901	2.1
99.04543	1.4
101.02446	8.0
105.26264	0.7
111.00859	1.1
113.02455	7.4
116.92895	1.1
119.03527	1.8
119.05061	1.1
120.01290	0.9
122.06102	1.3
124.04048	0.9
125.02461	0.9
125.06030	0.7
129.01938	2.2
131.03569	0.9
134.03807	0.7
135.04518	1.8
138.97105	1.5
143.03474	1.2
149.04517	0.9
150.97040	1.5
151.00381	0.6
159.02988	0.8
161.04620	1.6
163.04102	1.1
164.26752	0.6
165.05611	1.3
168.98148	1.1
174.01645	0.8
177.04062	7.7
179.05583	0.8
179.10774	1.1
180.98128	0.7
191.02010	1.5
194.99622	0.6
198.49449	0.6
198.99187	0.9
209.21835	0.6
213.00699	1.2
241.00139	2.9
249.06088	1.0
253.83530	0.6
256.99753	6.9
259.01398	0.7
267.07239	1.7
267.11334	1.3
277.09616	1.0
277.13669	0.7
278.10370	0.6
279.11441	1.2
298.10977	1.2
337.11868	1.9
351.78284	0.7
371.24304	0.9
381.10992	1.2
433.15637	0.9
447.16989	2.3
448.17438	0.8
487.33350	0.7
517.29443	1.0
520.20911	0.8
524.20447	1.8
529.24542	2.5
531.26270	34.1
532.26788	5.2
552.23273	3.2
561.31982	0.8
573.23315	1.9
601.26361	1.5
605.34967	2.2
606.36298	0.9
617.25610	0.8
623.36682	1.0
645.25397	2.4
647.27148	1.0
649.38196	5.5
650.38348	1.0
659.26868	0.8
665.35608	4.3
666.35468	2.0
667.39459	3.7
677.28180	2.3
704.29883	0.7
709.31299	100.0
710.31628	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	709.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.1
57.03447	29.3
59.01377	28.7
68.99832	0.4
69.03453	1.3
69.66461	1.7
69.66890	1.4
71.01380	3.6
72.99296	1.5
73.02956	2.0
75.00864	0.7
81.03406	0.3
82.60957	0.3
83.01395	1.5
83.05053	0.9
83.45335	0.3
84.02176	1.7
85.02957	59.6
86.03290	1.5
87.00866	0.6
89.02487	0.4
93.32906	0.4
95.05013	0.4
96.96008	2.5
97.06612	0.4
98.19867	0.5
99.04538	3.0
105.45465	0.4
107.05037	0.5
109.06606	14.0
110.06925	0.4
111.00893	1.3
111.04528	7.3
112.31117	0.4
115.00320	0.5
121.06631	0.8
123.08157	2.4
125.06120	0.7
129.01961	9.1
132.02238	0.7
134.03757	5.0
135.08185	18.8
136.08536	0.8
137.09747	12.8
138.06888	2.1
138.10100	0.9
143.04648	0.5
147.01845	0.8
147.03024	15.4
149.06085	1.0
149.09758	4.7
153.09222	5.3
154.77516	0.4
158.96959	0.4
160.01689	6.2
161.02437	0.5
161.06001	0.4
161.09726	0.6
163.03998	0.6
163.11316	9.2
164.11678	0.7
167.10805	9.4
167.12212	0.3
173.00941	4.3
175.02618	0.4
175.04018	9.9
175.07692	0.6
175.11308	1.2
176.04375	1.0
177.09227	24.5
178.09601	1.4
179.10767	1.0
191.01996	3.5
191.10793	5.3
192.11247	0.4
193.05089	6.1
193.12349	100.0
194.05376	0.4
194.12694	7.6
200.42224	0.4
201.09212	0.4
207.87975	0.4
209.03021	0.7
211.13403	41.2
212.13744	3.1
217.12314	4.4
218.12671	0.7
223.04491	0.7
235.13380	23.4
236.13858	2.1
241.00302	0.7
253.14444	20.4
254.14853	2.4
255.12341	2.8
261.07584	0.7
297.13446	11.4
298.13794	1.2
323.07733	16.4
324.07999	1.1
329.09039	0.5
367.06699	13.3
368.06989	1.2
383.06436	0.4
387.10950	0.7
406.16479	0.5
709.20422	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.3984
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31322	0.1
57.43154	0.1
59.01380	2.3
60.01712	0.1
61.01809	0.1
61.98830	100.0
62.98540	0.2
62.99212	0.1
71.01382	0.1
73.02937	0.1
126.70173	0.1
135.08104	0.1
195.48543	0.1
229.34605	0.1
255.03040	0.3
256.03406	0.1
271.02435	0.6
272.02878	0.3
277.21725	0.7
278.22116	0.3
279.22559	0.1
291.23480	0.1
292.23697	0.1
293.24002	0.1
300.02710	1.1
301.03134	0.5
326.54150	0.1
413.98184	0.1
708.31140	0.8
709.30383	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	707.4396
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98033	0.3
59.01377	100.0
60.01716	1.2
61.98830	15.4
71.01395	1.1
71.30479	0.5
71.30833	0.6
73.02972	0.4
78.95930	0.4
79.67741	0.3
89.02462	0.3
93.06219	0.3
101.02447	0.4
109.32366	0.3
113.02419	0.3
116.37711	0.3
125.09213	0.3
140.40477	0.3
142.53487	0.3
179.05647	0.4
187.97469	0.3
211.13438	1.1
277.21716	23.5
278.22028	2.6
279.23248	1.6
293.24985	1.1
321.24478	0.6
334.98459	0.4
387.20334	0.7
498.58578	0.3
576.08856	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.3985
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16933	0.0
59.01375	1.0
60.01711	0.2
61.01820	0.1
61.98829	100.0
62.98532	0.2
62.99263	0.1
70.07041	0.0
71.01415	0.1
88.11882	0.0
98.19846	0.1
118.22503	0.0
130.48474	0.1
196.64664	0.0
277.21698	0.2
278.22165	0.1
279.22983	0.1
672.53290	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	708.3981
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.9
60.01708	0.1
61.01820	0.1
61.36734	0.0
61.98832	100.0
62.98532	0.2
65.35764	0.0
71.01400	0.2
71.30482	0.1
71.30836	0.1
73.02944	0.1
73.04091	0.1
83.05060	0.1
85.02995	0.1
97.32483	0.0
101.02467	0.2
105.52859	0.0
113.02511	0.1
119.03515	0.0
151.14447	0.0
157.86406	0.0
161.04584	0.1
186.12520	0.1
211.13474	0.1
277.21722	3.0
278.22128	0.4
279.22470	0.1
281.14471	0.1
283.23981	0.1
291.23349	0.3
292.23865	0.2
293.24091	0.1
319.22867	0.2
321.23526	0.1
389.21820	0.3
601.40326	0.1
645.42249	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96805	0.1
59.01379	100.0
60.01713	1.2
61.98832	11.3
67.55658	0.1
70.47244	0.5
71.01383	0.6
73.02961	0.2
78.95913	0.2
85.02941	0.1
89.02473	0.4
96.95977	0.2
101.02451	0.4
113.02473	0.2
119.03547	0.2
152.99686	0.2
161.04562	0.1
189.12881	0.2
196.62508	0.1
211.13531	0.4
271.02457	0.2
277.21719	17.2
278.22040	2.0
279.23093	0.5
285.11383	0.2
291.23364	0.8
292.23688	0.2
300.02881	0.5
309.28210	0.4
319.22903	0.3
320.23367	0.1
387.20386	0.4
397.13559	0.2
493.35886	0.1
707.29999	0.2
707.43622	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4394
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20281	0.2
59.01377	100.0
60.01718	0.9
61.98835	2.3
63.58093	0.1
71.01393	0.6
71.04027	0.3
71.04348	0.2
77.88097	0.2
78.95926	0.2
80.53809	0.1
85.02960	0.2
88.74075	0.2
89.02448	0.3
99.92627	0.2
101.02463	0.4
113.02462	0.2
116.92879	2.6
144.38434	0.1
149.59372	0.1
160.12094	0.1
225.15230	0.2
277.21710	15.8
278.22015	1.9
291.23416	0.4
319.22760	0.2
387.20471	0.4
410.62964	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.7
57.03427	1.4
58.00580	0.8
59.01381	24.6
61.52951	0.4
61.98834	8.8
69.03449	1.2
69.82368	3.0
71.01388	19.0
72.99308	1.7
73.02962	3.4
75.00863	1.3
79.95746	0.8
80.96544	0.5
81.03442	0.6
83.01388	1.8
83.05029	0.8
85.02960	6.2
86.30219	0.4
87.00882	3.8
89.02453	15.2
91.52308	0.4
95.01396	1.4
95.05032	0.5
96.96022	12.6
97.02950	2.4
97.06582	1.7
98.20586	0.8
99.00880	1.7
101.02457	11.8
109.02976	0.5
111.08170	1.1
113.02468	8.7
113.09727	1.5
115.04048	0.5
115.07661	1.2
119.03532	4.6
121.02948	0.9
123.08144	0.5
125.02464	3.5
125.06128	0.7
129.02037	0.4
131.03470	1.0
138.97057	0.5
139.11285	0.8
141.01952	0.9
141.09268	0.9
143.03490	2.3
149.04555	1.2
149.63187	0.4
150.03224	0.6
151.11307	0.7
153.12840	0.5
161.04607	3.0
165.12889	2.8
167.10715	1.1
167.14424	1.7
169.12428	0.6
169.68890	0.4
179.05663	2.6
179.10831	0.5
181.12392	2.8
183.13893	1.0
193.12352	1.6
193.16023	0.7
195.13902	1.9
197.11855	3.4
199.13394	0.8
209.03221	0.4
209.11870	0.8
211.13429	2.6
221.06630	1.1
221.15508	1.6
235.08212	3.6
240.13599	0.6
241.00328	0.5
241.14436	0.9
247.20663	3.4
253.09229	1.2
263.07660	0.7
263.20139	0.9
265.21634	0.8
267.07162	1.8
273.18622	2.4
281.21259	1.6
287.07825	0.6
291.19656	29.5
292.20081	3.1
309.20715	100.0
310.21048	11.0
311.22052	0.9
397.13510	21.7
398.13867	2.3
415.14548	20.4
416.15128	2.2
417.13718	0.6
489.31216	0.5
494.18826	0.5
527.28992	0.6
531.31744	2.8
532.32300	0.6
617.45142	0.5
627.37909	0.6
663.35175	1.5
707.34796	28.6
708.35541	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	707.353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28036	0.5
55.01871	0.8
57.03446	1.6
58.00602	1.0
59.01380	25.7
61.98832	16.1
69.03464	1.3
71.01385	16.1
71.90231	0.4
72.99291	2.5
73.02951	3.3
75.00874	1.9
78.95911	0.5
79.95742	1.9
81.03465	1.0
82.58572	0.5
83.01406	1.9
83.05038	0.7
85.02960	4.5
87.00889	3.9
89.02450	16.1
92.67720	0.5
95.01393	1.3
95.95245	1.1
96.96023	12.2
97.02964	2.4
97.06577	1.2
98.20689	0.9
99.00896	1.2
99.04478	0.7
101.02458	14.0
111.00919	0.6
113.02458	7.7
113.09747	1.4
115.07674	1.0
119.02792	0.6
119.03501	3.8
121.02985	2.2
125.02508	2.8
129.01920	0.6
131.03589	1.0
139.04112	0.6
141.01979	1.0
141.09207	1.3
143.03506	2.0
146.29225	0.5
161.04529	2.8
165.12839	1.9
167.14458	1.4
179.05611	4.2
181.12349	3.3
183.13997	0.9
193.12318	1.1
195.13982	1.6
209.11755	1.0
211.13434	2.8
213.14993	0.8
217.15839	0.8
220.13457	0.5
221.06638	1.2
221.15500	1.4
229.14499	0.9
235.08249	2.8
240.13617	0.8
241.00249	0.7
241.14354	0.9
247.20673	3.0
248.20938	0.8
249.06107	1.0
253.09399	1.3
263.07712	0.9
267.07233	1.2
273.18655	3.0
281.21262	1.2
291.19638	34.4
292.19934	3.0
305.08551	0.7
309.20712	100.0
310.21036	9.4
311.22357	0.7
371.09909	1.7
397.13519	22.9
398.13910	2.3
415.14551	19.3
416.14819	2.3
519.16144	0.8
627.37701	1.2
628.37860	0.8
663.23553	1.2
663.33997	1.1
707.34460	32.0
708.34662	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	707.4394
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81489	0.2
58.04239	0.2
59.01379	100.0
60.01716	1.3
61.98840	1.3
71.01379	1.1
71.73132	0.3
73.02950	0.7
83.01388	0.3
85.02979	0.2
89.02467	0.7
89.13701	0.2
101.02465	0.7
113.02473	0.7
119.03556	0.3
123.51697	0.2
125.06145	0.2
139.07684	0.2
161.04662	0.3
179.05638	0.3
211.13426	0.4
212.02437	0.2
222.09471	0.2
261.22232	0.2
273.22278	0.6
275.17615	0.2
277.21719	19.7
278.22064	2.2
291.23303	5.0
292.23694	0.5
301.21912	0.6
315.61670	0.2
319.22791	2.6
320.23120	0.3
349.23969	0.3
379.10101	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.3
57.03450	2.4
58.00597	1.5
59.01380	100.0
60.01723	1.1
61.98830	3.3
69.03448	1.2
69.85486	1.2
69.85899	2.4
71.01388	31.3
72.99314	1.8
73.02959	7.6
75.00899	1.4
79.95799	0.5
81.80450	0.5
83.01401	3.8
85.02956	15.6
86.03291	0.8
87.00890	3.6
88.84074	0.5
89.02448	12.9
93.03469	0.9
95.01418	4.8
96.96025	7.3
97.02984	2.1
98.20359	1.6
99.00885	3.0
99.04539	0.7
101.02460	15.2
101.03093	0.8
102.02782	0.8
106.06651	0.7
108.04556	0.6
109.03017	0.7
111.00929	1.3
112.01692	1.1
113.02467	23.6
114.02837	0.9
115.92188	0.7
116.92893	0.7
119.03518	4.1
119.05020	2.5
120.01321	1.0
120.04622	0.5
122.06142	1.9
123.03181	0.7
123.04579	0.6
124.01656	2.6
125.02480	4.5
129.01968	0.7
131.03555	0.8
133.06630	2.4
135.04597	0.7
138.05573	0.7
139.00414	0.5
143.03523	4.0
145.06638	0.5
148.04094	0.5
149.04535	0.6
150.05647	0.6
152.08760	0.6
160.04085	0.7
161.04610	5.4
161.06056	1.5
163.04018	0.6
165.05608	0.7
166.05107	0.8
174.01765	0.6
179.05626	1.1
187.11316	0.7
191.01967	0.8
191.07216	1.7
203.05553	0.5
209.11885	0.6
229.09987	0.6
231.11240	1.1
233.08250	0.7
237.10193	0.6
241.09837	0.9
249.06271	1.0
249.10529	0.8
251.05832	0.6
251.08253	1.0
251.12007	2.4
263.08365	0.6
264.09012	3.8
265.09747	0.9
267.07239	1.1
271.11069	1.6
277.09912	1.6
278.10535	0.6
279.11368	7.1
280.11801	0.7
283.11121	0.6
287.10507	0.6
289.11920	0.9
295.11005	1.1
309.98651	0.5
323.10440	2.4
341.11508	0.6
353.91263	0.7
355.21414	2.3
451.23734	1.2
481.24808	1.9
499.25525	22.1
500.25665	3.0
517.26520	43.5
518.26837	7.6
531.28204	0.7
534.15594	1.0
535.27606	8.3
536.27991	0.7
559.27777	17.0
560.27832	2.7
566.17993	0.9
577.20087	1.2
577.28650	12.9
578.28961	2.7
603.24878	1.4
613.23529	1.5
619.30396	1.5
631.24561	1.1
635.23553	0.7
639.21326	1.6
647.23364	0.6
657.22247	5.3
658.22595	1.5
663.34387	0.9
671.23779	0.7
675.23370	7.0
676.24353	0.9
689.25238	2.4
707.26471	4.3
708.27454	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54239	0.4
55.01890	0.6
57.03445	1.6
58.00583	0.6
59.01380	100.0
60.01722	1.2
61.21073	0.4
69.03469	0.9
69.43335	4.6
71.01387	30.3
72.01752	0.6
72.99320	1.8
73.02955	15.1
75.00879	1.2
79.95756	0.5
83.01397	4.6
83.05062	0.4
85.02958	9.6
85.03448	0.6
87.00882	2.1
87.04543	0.9
89.02452	11.7
94.45341	0.4
95.01410	2.6
95.57937	0.4
96.96030	5.1
97.02982	1.0
98.19869	1.0
99.00906	1.6
99.04522	0.5
101.02460	16.7
102.02852	0.5
106.06612	0.4
108.08147	0.4
111.00951	0.5
111.89695	0.4
113.02466	17.4
114.02828	0.4
115.00388	0.4
118.93613	0.4
119.03514	3.9
119.04176	0.3
119.04996	0.6
122.06151	0.5
125.02468	2.4
129.01971	1.2
131.03540	1.4
134.06090	0.5
143.03508	3.2
149.04594	1.3
152.03578	0.6
155.03552	0.5
160.04063	1.6
161.04576	7.0
179.05656	2.4
179.10735	0.5
191.01953	0.5
203.05759	0.7
221.06706	0.9
224.09589	0.9
231.11359	0.5
237.15019	0.8
239.11966	0.7
249.06198	0.5
267.07288	2.6
271.10886	0.5
283.10938	0.5
327.09839	0.6
329.11743	0.6
337.05856	0.6
355.21558	0.7
473.17032	0.7
499.25494	11.7
500.26013	1.6
517.26501	22.0
518.26788	2.9
535.27631	5.9
536.27893	0.7
545.14624	0.6
559.27673	11.6
560.28290	2.3
575.22534	1.0
577.28699	12.5
578.29047	2.2
601.22968	0.8
619.29993	1.4
627.21387	0.7
645.22260	3.0
646.22534	1.0
663.24841	0.9
707.26105	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	707.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51171	0.5
55.01875	2.5
57.03446	12.3
59.01375	8.3
61.98825	1.6
68.99804	0.5
70.14954	0.4
70.63911	0.5
71.01376	5.3
71.72255	0.6
72.99319	1.4
73.02954	1.2
75.00867	1.7
78.95940	0.6
83.01375	4.0
84.02174	2.7
85.02956	100.0
86.03286	2.9
87.00880	1.0
87.09552	0.5
93.03472	0.6
96.96024	8.1
99.00887	1.0
99.04585	0.6
101.02456	2.8
103.00360	1.3
111.00887	11.8
113.02483	0.6
117.03474	4.8
119.05050	5.3
123.04556	1.2
124.60508	0.5
129.01962	12.3
131.03526	2.2
134.03773	0.8
137.34338	0.5
143.03526	0.9
145.02960	14.7
146.03334	0.5
147.03004	13.5
147.04141	1.0
148.03355	0.6
150.03159	0.5
153.05579	2.4
161.04536	0.8
161.08197	4.4
163.04031	2.2
173.00938	2.0
175.02512	1.9
187.02518	0.7
191.01987	82.0
192.02327	4.4
193.03575	0.7
203.09134	0.9
205.03545	14.8
206.03882	0.8
211.07620	1.2
223.04578	52.5
224.04883	2.3
230.78110	0.6
241.00253	1.3
267.07129	0.5
293.06757	3.2
306.07419	0.6
315.10727	0.6
321.15396	0.5
327.08676	2.9
328.09177	0.5
337.05576	6.0
338.05801	0.7
342.30334	0.5
359.10196	2.1
369.08234	7.0
370.08783	0.6
404.22162	0.5
472.70297	0.6
497.18555	1.2
621.15149	0.7
664.17657	0.6
707.13800	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60197	0.2
59.01378	100.0
59.07990	0.3
60.01712	1.0
61.98834	1.0
63.71048	0.2
69.03485	0.3
69.46920	0.3
69.47247	2.5
71.01389	1.6
73.02959	0.7
85.02978	0.4
89.02454	0.9
101.02466	0.6
107.05066	0.5
113.02448	0.7
140.27431	0.2
143.03545	0.3
149.06108	0.4
163.11295	0.4
187.11302	0.3
205.12325	3.6
206.12793	0.3
223.13490	0.5
237.37440	0.3
273.22437	0.7
277.21716	14.7
278.22079	1.2
291.23322	6.4
292.23816	0.5
300.21063	0.3
301.21799	0.8
319.22894	2.0
349.24039	0.3
356.57852	0.2
631.53131	0.3
695.38568	0.2
705.43732	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.424
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.1
57.03438	0.2
58.00602	0.8
59.01377	100.0
60.01703	1.1
61.98831	14.1
62.98558	0.1
67.09811	0.1
69.03450	0.2
71.01383	4.7
72.99308	0.4
73.02953	3.8
75.00886	0.5
75.63742	0.1
81.03474	0.3
83.01415	0.6
83.05029	5.5
84.02219	0.2
85.02941	1.0
87.00909	0.1
89.02458	1.5
95.01416	0.2
95.05039	0.1
97.02942	0.2
97.06611	0.5
99.00883	0.2
100.50170	0.1
101.02450	3.0
111.08157	0.3
113.02456	2.6
119.03518	1.2
121.06613	1.1
122.93621	0.1
125.02469	0.3
125.06086	0.7
127.07700	0.2
127.11318	0.2
128.08456	0.1
131.03522	0.2
138.74765	0.1
139.07677	0.8
141.09200	0.1
143.03514	0.6
147.08243	0.1
153.09241	0.2
153.12892	0.1
159.46906	0.1
161.04587	1.6
205.12350	1.0
205.19618	0.2
209.11824	0.6
255.21315	0.6
257.22726	0.2
259.20563	0.1
261.22287	0.4
263.23776	0.7
271.20734	0.2
273.22238	2.9
274.22635	0.3
277.21710	35.6
278.22052	3.8
287.23956	0.2
289.21710	0.4
291.23279	25.2
292.23611	2.8
301.21738	3.4
302.21979	0.3
308.02853	0.1
319.22775	14.4
320.23129	1.8
331.22751	0.9
335.22202	0.4
349.23816	2.0
350.24231	0.4
373.23837	0.7
379.24985	1.0
421.26019	0.4
439.27023	0.2
439.63004	0.1
443.15805	0.1
668.68042	0.1
705.23151	0.2
705.42181	0.3
706.43085	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.2
57.03451	0.4
58.00589	0.9
59.01377	100.0
60.01709	1.0
61.98835	0.6
67.07487	0.2
69.03461	0.3
71.01388	4.9
71.01768	0.3
71.23034	0.2
72.60573	0.2
72.99313	0.4
73.02950	3.6
75.00883	0.5
83.01390	0.6
83.05031	5.2
84.05402	0.3
85.02962	0.9
89.02460	1.7
94.81080	0.2
97.02957	0.2
97.06586	0.3
99.00859	0.2
101.02458	2.5
107.05088	0.2
109.06593	0.2
111.08171	0.3
113.02473	2.8
113.06075	0.3
115.48434	0.2
119.03508	1.3
121.06608	1.1
124.18350	0.2
125.02485	0.4
125.06108	0.7
125.09669	0.2
127.07638	0.3
127.11330	0.2
131.03499	0.2
137.47310	0.2
139.07619	0.8
143.03523	0.5
161.04576	1.8
205.12355	1.2
205.19606	0.2
206.12810	0.2
220.90781	0.2
255.21140	0.7
257.22699	0.3
259.20621	0.3
261.22083	0.4
263.23804	0.8
271.20486	0.2
273.22244	3.3
277.21710	36.4
278.22079	3.9
289.21591	0.3
291.23282	24.5
292.23611	2.7
301.21667	3.4
302.22086	0.5
319.22772	14.0
320.23038	1.6
331.22717	1.0
335.22125	0.2
349.23849	2.0
350.24289	0.2
361.24048	0.2
365.61337	0.2
373.23734	0.5
379.24976	1.0
421.25974	0.2
439.27505	0.2
528.06042	0.2
539.79822	0.2
544.06885	0.2
684.41278	0.2
705.42865	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70106	0.5
55.01871	0.9
57.03445	2.0
58.00593	1.0
59.01379	100.0
60.01723	1.3
60.22306	0.5
61.96708	0.4
62.29494	0.4
69.03477	0.7
71.01388	28.1
72.01740	0.5
72.99317	1.4
73.02946	9.8
75.00883	1.0
79.95729	0.6
83.01389	3.2
85.02958	9.9
86.03322	0.7
86.13227	0.4
87.00897	1.8
87.04543	0.4
89.02453	13.3
95.01381	2.3
96.96018	6.8
97.02973	0.8
99.00916	1.3
101.02453	15.9
103.00384	0.5
113.02463	20.9
114.02776	1.0
116.92935	0.7
119.03517	4.5
119.05058	0.4
124.01682	1.0
125.02467	2.0
131.03519	1.2
138.97047	0.4
143.03496	4.1
149.04573	2.2
154.99922	0.5
161.04581	9.8
166.74260	0.4
179.05659	4.0
203.05766	0.6
221.06743	1.2
241.00145	0.5
270.13928	0.4
271.02679	0.6
300.02826	0.5
301.03769	0.6
301.12161	0.5
328.13089	0.5
353.19968	0.6
378.21954	0.4
433.07700	0.7
497.23898	6.9
498.24655	1.1
515.24969	19.7
516.25372	2.8
517.19580	1.6
518.19281	0.5
533.26093	4.3
534.26550	0.9
557.26080	10.5
558.26392	2.1
562.97577	0.6
575.27191	8.0
576.27808	1.7
619.30652	0.6
661.30890	0.6
683.06573	0.5
705.23047	0.8
705.30359	0.9
706.31171	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76001	0.1
59.01378	2.8
60.01722	0.2
61.98830	100.0
62.98531	0.1
69.74446	0.1
69.74850	0.5
71.01385	0.9
71.32244	0.1
72.99323	0.2
73.02965	0.2
85.02964	0.2
89.02457	0.6
101.02424	0.4
104.41519	0.1
113.02477	0.3
119.03547	0.2
161.04564	0.2
179.05678	0.1
179.42947	0.1
209.11752	0.1
263.12939	0.1
277.21710	3.9
278.22052	1.4
278.24878	0.1
291.23376	0.3
319.22971	0.1
399.20078	0.1
425.18234	0.1
443.12967	0.1
450.41611	0.1
481.15094	0.1
483.15430	0.3
484.15314	0.6
498.17685	0.1
500.18890	0.1
543.17065	0.3
555.18616	0.1
556.19336	0.1
557.18805	0.4
558.19128	1.5
559.19476	0.2
574.15588	0.1
574.71765	0.1
575.15991	0.4
589.17120	0.1
641.22839	0.1
643.23120	0.1
644.22852	0.8
703.41254	0.4
704.24274	2.8
704.41223	0.6
705.23187	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61652	0.1
53.11441	0.1
55.24232	0.1
57.86361	0.1
59.01377	2.6
60.01708	0.2
61.01817	0.1
61.98830	100.0
62.98541	0.1
66.62476	0.1
69.73561	0.1
71.49834	0.1
96.03239	0.1
131.05785	0.1
142.28754	0.1
163.03076	0.1
168.27882	0.1
323.65286	0.1
418.67801	0.1
465.26147	0.1
482.15109	0.1
483.15445	0.2
484.15363	0.5
498.16885	0.3
499.18719	0.1
542.16400	0.2
543.16803	0.2
555.18787	0.1
556.18481	0.1
557.18658	0.3
558.19141	1.1
559.19177	0.1
574.16003	0.2
575.15765	0.3
589.17200	0.1
642.21771	0.1
643.23108	0.1
644.23059	0.7
704.23914	3.0
705.23041	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38633	0.1
59.01374	0.4
59.23581	0.1
61.98829	100.0
62.98538	0.2
68.77148	0.1
71.01398	0.2
73.02966	0.1
75.00867	0.1
75.40376	0.1
79.95742	0.1
80.96530	0.1
85.02952	0.1
89.02482	0.1
94.32351	0.1
96.96041	0.5
100.57204	0.1
101.02487	0.1
107.36243	0.1
108.37414	0.1
113.02483	0.1
161.04686	0.1
179.05673	0.1
251.67329	0.1
303.19949	0.1
368.92001	0.1
517.89771	0.1
610.22357	0.1
623.34265	0.1
624.33929	0.1
639.24023	0.1
646.19537	0.1
702.35986	0.3
703.30536	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	703.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.2
57.03450	2.6
59.01379	2.1
60.96775	0.2
65.03956	0.8
69.03461	0.2
71.01387	0.5
71.71943	0.3
79.95728	0.9
80.54145	0.2
80.96539	0.2
83.01372	0.2
83.05025	2.0
85.02957	2.0
87.00877	2.5
93.03454	0.3
95.05041	0.7
96.96021	41.4
97.02956	0.3
98.03745	0.2
101.02492	0.3
107.08691	0.3
109.06616	0.6
111.04533	1.2
111.08166	0.9
113.06100	0.3
119.05098	0.2
119.08662	0.5
120.01227	0.2
121.02976	0.2
121.06594	0.9
123.08181	7.1
124.05297	0.2
125.02400	0.2
125.09728	0.2
127.87415	0.2
128.03491	0.2
129.01965	0.4
129.07101	0.3
130.08745	0.7
134.03754	0.5
135.08179	0.5
136.84506	0.2
137.09734	0.9
138.06830	0.3
139.07681	1.1
143.08727	0.3
145.10242	1.0
147.03023	0.2
149.09741	0.4
150.69788	0.2
151.07693	0.7
153.09247	1.3
163.11351	0.5
165.01997	0.3
169.08792	0.4
169.10223	1.2
171.11810	8.1
172.09782	0.9
172.12177	0.5
175.11215	0.3
177.09241	0.6
178.46452	0.2
189.12868	2.8
191.01978	0.9
193.05098	0.7
193.12363	1.8
197.13019	0.2
201.12863	2.9
201.41650	0.2
207.13931	2.4
211.13380	0.6
215.14001	0.7
219.13962	1.1
223.04456	0.2
235.13383	0.5
237.14952	10.3
238.15266	1.1
241.00160	0.6
253.14372	0.3
271.52017	0.2
281.13931	19.1
282.14258	1.9
317.10672	0.5
330.55640	0.2
341.09119	2.9
342.09689	0.3
350.26022	0.2
361.09619	100.0
362.09946	9.6
363.09872	0.2
659.16620	0.4
686.71838	0.2
703.24963	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98825	1.2
66.59773	0.4
70.75050	1.4
106.59259	0.5
106.90818	0.4
117.10186	0.4
140.74817	0.4
145.34210	0.4
165.24428	0.5
437.12485	1.2
438.13266	4.6
439.13757	1.8
452.14868	2.0
453.15616	0.9
466.13016	0.7
467.13492	0.7
470.12173	1.0
480.14246	1.2
481.15189	40.2
482.15479	12.8
495.16779	10.7
496.17154	4.0
497.18298	4.7
498.18527	1.0
514.15173	2.1
523.16095	0.6
525.14478	1.0
539.15961	1.5
540.16364	10.7
541.16589	2.1
553.17706	0.9
554.18134	2.1
555.18927	68.6
556.19141	18.5
567.18823	2.8
568.19000	1.3
569.20270	1.5
572.06348	1.0
572.15460	19.5
573.15778	5.6
586.17365	3.9
587.17438	1.4
599.21820	0.8
600.19745	1.0
609.20215	1.3
627.21136	1.3
628.21356	0.6
641.22662	33.8
642.22974	9.5
701.24866	75.3
702.25116	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	701.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01714	1.5
69.68176	1.3
69.68599	2.5
99.99077	0.6
105.54025	0.5
123.05264	0.4
132.52557	0.4
140.45584	0.5
245.78503	0.5
437.12680	0.7
438.13373	3.3
439.13718	0.8
451.14050	0.8
452.14819	2.3
453.15317	0.8
466.13589	0.6
480.14447	0.9
481.15173	30.0
482.15546	9.4
488.13257	0.5
495.16769	11.6
496.17245	4.2
497.18301	5.7
498.18762	1.3
514.14471	2.2
515.15295	1.1
523.16479	0.8
525.14526	0.7
539.15808	2.1
540.16467	9.5
541.16687	1.5
554.18121	2.3
555.18903	52.4
556.19043	14.3
567.18781	0.9
572.15515	14.0
573.15930	3.8
586.17059	5.8
587.17407	1.7
599.22321	0.6
609.20300	1.2
610.19751	0.6
627.21057	1.2
641.11768	1.1
641.22626	25.8
642.22998	10.1
701.24860	70.2
702.25146	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	701.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63536	0.6
59.01381	13.6
66.12278	0.7
70.66206	0.5
71.01385	2.8
71.73185	0.6
72.99301	0.7
79.95748	10.0
80.96535	2.8
85.02972	3.0
87.00884	0.8
89.02460	1.8
95.95255	2.0
96.96023	100.0
97.95930	0.7
99.00879	0.9
101.02449	2.5
103.00383	6.6
104.32390	0.6
113.02456	2.0
119.03522	1.1
122.97631	0.7
129.01938	0.6
135.04556	0.7
138.97083	1.0
150.97133	1.2
152.98624	1.3
157.48347	0.5
164.98636	3.2
179.05728	0.6
180.98180	2.1
191.02002	1.1
241.00246	3.4
256.99780	1.6
309.08615	0.7
379.10800	0.7
388.81754	0.6
435.17026	0.8
481.17868	0.7
517.26379	1.1
597.22382	1.1
615.23413	44.2
616.23822	9.0
657.24475	29.2
658.25018	5.3
683.22894	0.7
701.23511	52.0
702.12952	1.3
702.23871	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.4
55.30458	0.4
56.83159	0.4
57.03434	0.6
59.01378	8.5
61.98838	0.5
62.01701	0.5
62.39249	0.5
65.06538	0.4
70.09348	2.3
71.01389	3.6
72.99290	0.6
74.26403	0.4
75.00867	0.8
79.95745	5.8
80.96542	2.4
83.01391	0.8
85.02954	3.7
87.00878	0.8
89.02446	3.1
95.95251	5.7
96.96020	100.0
97.95949	0.5
98.20525	0.8
101.02451	2.7
103.00380	0.8
113.02496	2.1
119.03497	1.2
120.01292	0.5
120.96023	0.6
122.97610	1.1
125.52247	0.4
138.97079	4.0
143.03551	0.6
150.97079	1.4
164.98605	1.1
177.04047	1.6
180.98088	0.6
191.01956	1.3
193.05063	0.5
198.99231	1.1
209.02873	0.5
212.28857	0.4
225.00723	0.5
241.00252	6.5
256.99652	1.8
285.02805	0.9
362.10104	0.5
379.10687	1.9
380.10916	0.5
386.54837	0.5
393.12039	0.7
411.13300	17.4
412.13589	1.6
435.16763	1.9
453.17825	1.2
517.26703	1.2
535.27435	0.8
577.28491	0.5
597.22180	0.7
615.23413	24.9
616.24017	4.1
657.24402	48.2
658.24872	8.2
683.21912	3.0
701.23523	39.5
702.23853	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	701.2359
Annotation	Gilvusmycin
Peak:m/z	Relative Intensity
57.03447	1.5
58.00582	0.3
59.01376	9.3
61.98827	1.0
69.03439	0.3
69.54404	0.7
69.54821	2.3
71.01390	3.8
72.99307	0.6
79.95743	5.4
80.96534	1.8
83.01394	0.4
83.05029	1.1
85.02956	2.8
87.00872	0.3
87.04524	3.1
87.91105	0.3
89.02457	3.1
95.95227	1.8
96.96021	100.0
97.06601	0.6
97.95921	0.4
99.00912	0.4
101.02448	2.6
109.03035	0.3
113.02473	1.5
113.06134	0.4
115.00365	0.4
116.92785	0.3
119.03507	1.1
120.01315	0.4
122.97583	0.4
129.01941	0.4
135.04555	0.5
137.09741	0.7
138.05650	0.4
138.97090	0.9
143.03522	0.4
149.04536	0.3
150.03264	0.4
150.97089	0.8
152.98657	1.7
153.09271	0.5
156.46867	0.3
163.04036	0.4
165.02011	0.5
166.04996	0.5
180.98207	2.1
191.02080	0.4
195.06712	0.3
195.13916	1.5
210.22336	0.3
225.00848	0.5
225.07680	0.4
237.14958	5.3
238.15266	0.5
241.00191	4.7
256.99698	2.0
267.07327	0.4
281.13950	1.2
283.01559	0.3
285.02850	0.6
357.14548	0.4
362.52261	0.3
375.07718	0.3
375.15878	0.6
379.10715	1.1
383.17102	0.3
435.16971	1.8
436.16202	0.3
453.18164	0.4
481.17343	0.5
505.17023	0.3
506.37814	0.4
517.26740	0.8
535.27393	0.9
577.28522	1.2
597.22180	1.3
615.23468	7.6
616.23370	1.2
657.24426	38.0
658.24664	6.1
683.22693	1.1
701.23517	47.1
702.23785	9.6
716.27289	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.0
56.42202	0.9
57.03437	3.8
59.01091	1.9
59.01380	36.8
61.98524	1.1
61.98829	14.2
62.12934	0.9
71.01382	18.7
71.62153	1.7
72.99320	2.9
73.02949	5.3
81.03468	1.1
83.01394	3.8
83.05040	5.0
85.02968	8.0
85.06602	2.1
87.00884	7.8
89.02460	9.6
95.01410	2.2
95.05013	1.0
96.96033	5.3
97.06592	3.6
99.00877	1.7
101.02463	12.4
103.04055	1.0
108.39768	0.9
109.06612	3.1
111.04548	2.0
111.08172	5.5
113.02489	6.4
119.03520	2.2
121.03006	1.0
125.09753	11.4
126.25922	1.0
134.98404	1.0
135.08223	1.1
137.09747	2.1
145.05057	3.1
153.44707	1.1
161.04556	4.3
171.10301	44.3
172.10596	2.3
179.05704	1.7
180.06812	1.1
185.11807	1.8
187.14906	1.9
205.15997	3.4
207.13895	2.1
209.11794	9.3
211.13387	11.1
215.14392	8.1
221.15486	2.8
231.13887	3.9
233.15474	30.1
234.15750	3.2
235.08186	5.8
235.13597	1.3
247.16859	1.4
249.14963	20.9
250.15324	1.8
251.16299	1.2
253.09253	3.2
328.43491	1.0
331.26263	2.5
341.24835	5.3
357.24133	2.0
367.22943	1.8
375.25449	4.2
376.25299	1.1
385.23849	19.8
386.24161	3.3
403.24887	28.2
404.25275	4.6
407.19183	1.8
421.25894	7.4
422.26291	1.5
467.22662	1.1
485.23969	3.1
495.29935	1.1
595.39001	1.8
611.34216	2.2
617.30640	1.1
621.32904	100.0
622.33295	21.1
637.23138	2.4
639.33942	66.9
640.34253	14.5
655.40826	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.5
59.01378	4.8
60.13427	0.4
60.55885	0.4
62.42850	0.3
69.65691	0.4
71.01390	2.3
72.99317	0.5
74.13727	0.4
75.00877	1.1
79.95738	5.1
80.96527	1.5
83.01409	0.6
85.02958	2.7
87.00854	0.4
89.02458	1.2
95.95250	4.5
96.96021	72.6
98.20648	1.3
98.96522	0.4
101.02459	1.7
103.00368	1.0
111.00892	0.5
113.02466	1.0
114.37534	0.4
122.97563	0.8
126.13284	0.4
126.94585	0.4
129.01941	0.5
138.97093	0.9
149.06027	0.5
150.97083	1.5
152.98694	0.6
164.98630	0.6
165.05530	0.4
168.98177	0.5
177.04005	2.0
180.98184	0.8
182.69186	0.4
191.01981	0.8
213.00703	0.5
224.98471	0.4
225.00693	0.7
238.21544	0.4
241.00206	3.9
244.14651	0.4
245.09271	0.4
256.99734	2.7
267.20667	0.4
302.03354	0.5
411.13290	100.0
412.13654	9.7
423.38144	0.4
495.23688	0.5
597.22015	0.6
611.15271	1.4
615.23273	7.8
616.24097	1.3
657.14490	0.7
657.24414	6.5
658.24719	1.0
701.23486	13.9
702.24115	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	699.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82649	0.4
55.01863	0.6
55.57443	0.4
57.03449	2.8
57.81713	0.4
59.01095	0.6
59.01382	11.9
59.34267	0.4
67.01884	0.7
68.99819	1.4
69.03452	1.5
69.87199	1.7
69.87615	1.3
71.01381	14.9
72.99310	5.4
73.02953	2.4
75.00877	14.3
83.01389	1.7
84.02157	0.7
85.02954	19.7
87.00878	5.1
89.02433	3.3
91.04035	0.6
91.27016	0.4
93.03448	0.6
95.01392	3.4
96.96017	2.9
99.00884	11.2
101.02509	0.9
103.00355	1.3
111.00893	1.5
113.02464	13.9
114.01999	0.5
114.02822	0.6
115.00393	4.4
117.01954	1.5
119.05033	0.7
121.02913	0.7
129.01950	1.8
129.26227	0.5
131.03505	0.7
134.03772	0.8
135.08183	1.2
137.02451	0.6
137.09756	4.9
147.03061	0.8
149.06091	0.8
150.03215	1.6
155.10800	49.3
156.11143	2.4
157.01375	1.5
161.02394	0.5
163.04037	0.5
164.30173	0.5
165.05559	1.6
175.02492	2.2
179.03482	0.6
181.05070	0.5
181.08760	1.3
185.03062	0.5
191.01994	2.9
193.05066	0.6
195.06616	0.7
199.09766	15.4
200.10074	1.2
231.05040	1.2
249.06136	9.9
250.06519	0.8
255.12343	0.4
267.07150	1.2
273.13440	5.6
355.11862	2.1
387.16519	1.2
417.15710	0.9
449.16513	1.9
489.16034	1.5
523.20380	6.1
524.20752	0.9
637.23474	1.4
681.22565	1.8
699.23669	100.0
700.23865	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.6
59.31112	0.1
60.01705	0.4
61.01810	0.3
61.98832	100.0
62.05893	0.1
62.98534	0.2
70.30187	0.4
116.92868	0.1
147.24820	0.1
221.42001	0.1
269.00912	0.1
350.91586	0.1
492.11545	0.1
649.65399	0.1
696.37250	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	697.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.4
57.03451	14.3
59.01378	6.5
68.99802	0.7
71.01381	5.2
71.28490	0.9
71.28835	1.0
72.99318	1.5
75.00877	2.7
75.32774	0.5
80.20618	0.5
81.20304	0.6
83.01395	2.6
84.02160	3.1
85.02959	100.0
86.03297	2.2
87.00887	1.3
89.02438	1.5
101.02465	1.0
103.00386	2.0
111.00914	3.4
115.00389	1.2
119.05070	2.4
129.01968	8.6
133.01445	1.7
147.03017	11.3
163.04030	3.0
163.68260	0.5
173.00911	2.6
175.22882	0.5
191.01990	55.5
192.02321	1.8
196.27696	0.5
209.03040	49.8
210.03401	1.4
337.05603	1.1
355.06711	31.0
356.07083	2.5
385.07870	0.7
395.65933	0.5
402.02585	0.5
457.64029	0.5
475.12311	0.5
511.85629	0.6
581.71844	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84984	0.2
54.08482	0.2
55.01873	0.3
55.10598	0.2
57.03448	1.9
59.01376	1.7
65.03968	0.5
69.03456	0.3
71.01395	0.8
71.72384	0.2
75.00899	0.3
79.95747	0.8
83.05030	1.6
85.02959	2.9
87.00883	2.6
89.02467	0.4
93.03464	0.4
95.05019	0.7
96.96021	33.3
97.02940	0.3
97.06612	0.2
98.03742	0.3
98.95577	0.2
99.00894	0.3
101.02419	0.3
109.06545	0.3
111.00840	0.2
111.04540	0.9
111.08163	0.4
113.02445	0.2
113.06117	0.3
119.05083	0.2
119.08669	0.5
121.06609	1.0
123.08183	5.9
124.05295	0.3
125.06241	0.2
125.09775	0.3
129.01936	0.3
129.07152	0.2
133.06604	0.2
135.08159	0.4
137.06084	0.3
137.09753	1.0
139.07680	1.2
145.10258	0.7
149.06111	0.3
149.09692	0.3
151.07668	0.7
153.09238	0.8
155.10797	0.7
163.03976	0.3
165.09148	0.2
166.02829	0.2
169.08847	0.4
169.10269	0.7
171.11810	7.2
172.12154	0.4
175.03993	0.2
189.12877	2.5
191.01938	1.4
191.05557	0.2
193.05087	0.3
193.12326	0.3
199.09731	0.3
201.12851	2.6
202.13258	0.2
207.13927	1.5
219.13855	1.2
220.14290	0.3
237.14951	10.1
238.15305	0.7
241.00343	0.2
247.14613	0.2
249.06171	0.3
263.12973	0.2
281.13937	16.4
282.14377	1.5
317.10666	0.5
341.09061	0.6
343.08783	0.4
361.09616	100.0
362.09946	9.5
362.14645	0.3
623.44604	0.2
699.23828	1.9
700.23889	0.4
725.34735	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46233	1.3
53.32507	1.1
54.07362	1.1
59.01376	12.3
75.23106	1.1
79.95751	5.6
80.96494	1.2
82.02990	1.9
83.05058	1.1
85.02922	1.5
94.02994	26.5
94.06638	1.4
95.95219	2.2
96.96024	25.0
103.00397	6.0
106.06645	1.3
108.04592	2.9
110.06117	6.4
122.06142	9.4
123.04540	1.3
123.06484	1.5
124.04078	4.4
126.20699	1.1
131.49603	1.3
134.06180	2.3
135.04594	1.8
136.04036	4.1
138.05643	8.6
144.04558	2.4
146.06137	1.9
150.05630	4.9
161.04808	2.3
161.08188	2.4
162.05666	1.6
164.85832	1.1
164.98697	1.6
172.11415	2.4
174.05624	4.2
180.06670	1.3
196.06226	3.2
201.10342	12.0
202.10600	1.9
203.05911	3.2
203.11954	1.8
213.10368	5.6
215.11859	2.5
225.10370	1.4
227.11855	3.8
229.09845	11.3
229.13495	4.8
237.10216	2.2
238.11061	1.5
239.11900	14.4
241.09990	1.8
247.10876	1.7
251.11974	3.0
252.12433	1.2
253.09903	1.6
255.11403	4.6
256.99838	2.2
257.12952	4.9
258.13251	1.2
259.10889	1.6
263.08322	1.4
263.11807	1.8
264.09152	6.3
265.09723	4.8
267.11401	4.5
271.10809	1.7
273.12515	4.4
276.09213	1.8
277.09726	1.9
278.10657	2.2
279.08185	1.9
279.11377	12.9
280.12134	3.1
281.12881	2.6
283.10907	2.4
285.12381	1.6
289.11948	3.2
290.10126	1.4
291.07941	2.5
291.11404	8.0
292.08484	7.5
292.11612	2.3
293.09140	4.8
293.12497	1.1
295.36575	1.3
300.02802	1.9
301.03555	1.3
301.11954	19.9
302.12189	2.4
306.10059	4.0
307.10861	29.5
308.11401	8.0
309.12354	2.0
311.10461	1.6
319.12997	51.3
320.13257	4.9
325.11893	2.6
327.13623	4.5
331.13193	1.5
340.10654	2.2
342.12335	1.9
343.12991	2.9
344.13965	1.9
346.15665	1.7
350.09131	11.8
351.09860	23.6
351.14032	1.0
352.10315	4.6
365.11435	3.1
370.15640	1.5
371.12686	1.4
372.13416	3.3
376.16696	1.9
386.15103	5.1
387.15686	3.4
388.16568	3.6
400.16934	2.3
404.16217	7.1
405.12308	5.5
405.16925	2.1
414.14502	4.3
416.16223	2.0
419.13861	7.1
428.16342	1.9
430.17673	4.9
432.15570	3.9
433.15649	4.4
434.16409	2.7
437.15894	3.2
446.17273	4.8
447.17990	3.6
448.18719	2.1
456.15533	1.7
461.14987	4.2
466.19855	1.7
467.21439	1.5
474.16711	4.1
480.21317	2.8
491.16904	2.8
492.17862	7.0
493.17972	2.6
506.19308	14.8
507.19662	2.3
509.22705	1.5
527.23181	6.6
528.23584	1.4
538.21863	48.2
539.22144	10.4
545.24072	6.7
551.23322	1.8
569.23932	7.7
570.24445	2.3
571.21973	4.5
587.25177	31.8
588.25507	7.3
590.23773	2.0
603.24628	8.6
604.24884	2.8
609.18402	6.6
613.23218	6.3
619.28308	3.4
631.24243	42.5
632.24548	9.9
635.27710	7.0
636.27905	2.2
645.25665	13.7
651.19928	12.0
663.26813	100.0
664.27020	24.2
677.28308	4.5
678.28119	1.4
695.18817	12.1
695.29547	29.4
696.18536	2.4
696.30090	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	695.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00058	1.1
57.03444	3.1
59.01377	14.2
59.06041	0.9
61.98838	2.9
62.72232	0.9
64.39056	0.9
64.90122	1.0
71.01390	6.8
71.73553	1.4
73.02962	3.4
75.00883	1.8
78.95919	1.1
79.95753	1.2
80.05039	1.0
82.02979	1.8
83.01382	2.1
83.05044	1.6
85.02953	14.5
87.00902	2.1
89.02473	2.5
92.59953	1.0
94.02991	17.8
96.96017	20.9
98.95577	1.3
99.00889	2.2
100.93031	0.9
101.02459	3.2
103.20551	1.0
108.04601	1.6
109.02987	1.3
110.06154	3.9
113.02483	3.1
115.00404	1.6
116.92884	1.1
120.01261	1.3
120.04570	2.1
122.06120	7.5
123.04588	1.4
124.04118	3.0
128.03488	1.2
129.01979	2.9
133.02974	2.2
134.03825	1.6
134.06210	2.6
135.04556	4.0
136.04057	2.4
136.07741	1.6
138.05635	7.4
141.21301	1.0
146.06122	2.4
148.07750	1.2
149.06088	1.0
150.03302	1.9
150.05650	2.8
151.00369	1.4
151.03967	1.4
160.04108	1.4
161.02493	3.9
161.04721	1.3
162.05611	1.6
166.02753	2.4
174.05600	1.7
177.02036	1.2
180.06705	3.0
181.05138	2.8
188.07266	1.4
190.02927	1.1
191.01997	5.2
201.10336	5.3
203.05948	1.2
213.10394	3.0
215.11873	2.1
227.11983	1.1
229.09831	5.7
229.13525	2.5
237.10356	2.5
239.08295	1.3
239.11879	10.2
241.00269	1.6
241.09846	1.8
249.10379	2.5
251.08221	1.9
251.11951	6.7
255.11557	1.7
257.13062	2.0
259.10947	1.8
263.08392	2.6
263.11899	1.6
264.08963	11.8
265.09756	8.2
266.10513	2.7
267.07367	1.8
267.11560	3.4
273.12564	2.5
276.08954	1.3
277.09952	3.9
278.07425	1.3
278.10782	3.4
279.08215	1.6
279.11365	19.0
280.11942	2.8
281.10025	1.2
281.12991	3.2
283.11057	2.4
289.12006	1.6
290.10608	1.6
291.07858	3.7
291.11441	4.1
292.08502	20.2
292.11697	1.4
293.09073	7.3
294.10013	1.4
297.12411	1.2
301.11929	11.1
305.09283	1.3
306.10095	7.8
307.10867	49.5
308.11441	10.7
309.12433	1.5
311.10590	1.4
312.11304	1.1
319.12976	24.3
320.13501	2.2
321.12534	2.0
325.11935	1.8
327.13699	2.2
333.08896	3.3
335.10406	1.5
340.10764	2.4
343.13290	1.8
344.14316	1.5
350.09091	19.0
351.09824	55.5
352.10385	7.2
359.12860	2.0
360.17480	1.2
365.11646	2.7
372.13742	2.1
383.12842	2.3
386.15469	2.6
387.15808	1.7
388.16800	1.5
400.16690	1.4
404.16205	2.2
414.14896	2.4
416.16565	1.6
417.16324	1.9
418.13959	1.5
428.16299	1.5
429.17108	2.3
430.17810	4.0
432.16086	2.5
433.16879	1.4
446.17368	2.4
447.18298	5.0
448.19006	3.3
456.15793	1.5
473.16437	2.8
474.17001	3.6
480.21301	2.5
491.17276	4.7
492.17706	12.0
493.18137	2.0
503.21393	3.3
506.19299	23.5
506.26138	1.7
507.19775	3.9
520.21143	3.2
527.23096	2.9
538.21893	100.0
539.22253	20.6
539.55878	1.2
545.24384	2.6
551.22394	1.4
563.25238	1.3
569.24054	5.5
571.22595	2.0
585.35577	1.2
587.25171	11.4
588.25934	1.7
601.23572	1.2
603.25153	4.6
613.23511	6.3
627.24835	1.4
631.24005	19.2
632.25134	3.9
633.26086	1.2
635.27435	3.0
645.25665	16.6
646.26819	4.3
663.26862	57.7
664.27246	15.7
677.28485	10.2
678.28955	2.9
695.29834	38.6
696.30743	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	694.4194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	5.2
61.01806	0.2
61.85975	0.1
61.98830	100.0
62.98526	0.2
70.69355	0.4
78.95900	0.3
79.16863	0.1
98.20418	0.2
130.87729	0.2
142.45872	0.2
154.73128	0.1
170.54132	0.2
278.22214	0.2
279.23209	0.5
283.26453	0.3
294.86392	0.2
300.58984	0.2
415.22202	0.2
492.99213	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28281	0.2
51.66093	0.2
59.01376	6.0
60.01702	0.6
61.01814	0.3
61.98830	100.0
62.98569	0.2
70.02464	0.6
70.02876	0.4
78.95917	0.6
90.93210	0.2
98.20568	0.2
99.09594	0.2
99.78335	0.2
102.67348	0.2
104.48405	0.2
152.99672	0.4
155.02194	0.2
199.13426	0.3
201.78517	0.2
202.55640	0.2
209.11862	0.2
277.21750	0.6
278.21985	0.2
279.23236	0.3
389.13614	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63979	0.1
51.74551	0.1
59.01378	1.8
60.01714	0.2
61.01812	0.3
61.98829	100.0
62.93396	0.1
62.98532	0.2
70.59824	0.4
71.29609	0.1
78.95927	0.3
79.65176	0.1
82.89872	0.1
84.87045	0.1
89.58973	0.1
150.96179	0.1
171.28125	0.1
177.72601	0.1
206.15700	0.1
209.53998	0.1
278.22382	0.1
279.23340	0.3
280.79398	0.1
333.04443	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	693.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	12.4
58.00576	2.5
59.01379	47.9
59.32469	2.4
61.98833	18.9
67.05529	3.9
69.03461	20.8
69.84657	13.3
71.01387	23.7
71.05009	3.7
72.99302	4.9
73.02951	10.8
75.00887	2.3
78.95889	3.8
81.03455	9.7
83.01382	4.5
83.05029	3.6
85.02953	16.3
87.04514	4.6
89.02444	7.8
93.84029	1.9
95.05041	2.8
96.96014	15.9
97.06613	5.5
99.00867	3.0
99.04499	3.1
101.02441	7.7
109.06620	14.7
111.04528	45.6
111.08143	2.8
113.02442	5.1
113.06127	5.6
119.07821	4.0
119.08681	81.1
120.09050	3.8
123.04509	6.8
123.08126	2.4
125.06100	8.5
125.09740	7.3
127.04022	2.3
127.07648	6.7
135.08159	2.8
137.06107	6.9
137.09744	2.9
139.11316	29.3
151.07672	3.6
155.07117	3.3
163.07668	42.0
165.09195	6.1
168.51898	2.1
169.08723	9.9
171.10265	6.1
181.07346	2.5
181.08752	28.9
183.10287	72.5
184.10625	4.1
197.11838	6.8
209.68358	2.7
211.13396	4.4
223.09801	3.3
225.11296	7.5
263.57089	2.5
289.07358	2.2
296.11566	2.8
309.13293	8.9
327.14539	8.0
345.15210	2.2
390.78107	2.6
408.70123	2.3
475.23874	2.7
479.23553	3.3
491.22845	3.9
493.24384	37.9
494.24854	4.6
511.25513	40.9
512.26135	6.3
587.29126	3.7
645.32996	37.2
646.33020	8.5
657.32904	43.5
658.33362	12.2
663.33978	100.0
664.34430	19.2
675.33960	84.3
676.34265	17.0
693.35468	23.3
694.35175	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.4231
Annotation	Scrophoside A
Peak:m/z	Relative Intensity
57.63168	0.7
59.01380	23.4
61.98838	2.6
71.01369	0.7
71.64938	1.2
78.95921	1.3
88.98824	1.9
107.04980	0.6
126.37135	0.6
158.56287	0.6
163.07756	0.7
189.76566	0.6
240.12614	0.6
265.72598	0.7
271.05139	0.7
276.15323	0.7
320.30383	0.6
347.25912	0.9
383.25735	1.4
389.34070	1.1
391.26382	0.8
433.33356	1.4
489.35831	100.0
490.36176	18.2
490.42892	1.2
508.94571	0.7
531.36859	99.1
532.37146	17.9
686.43390	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.4604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34842	0.1
56.26323	0.1
58.96576	0.1
59.01379	100.0
60.01712	1.1
61.98832	0.9
70.58683	0.1
71.01391	0.4
71.19181	0.3
73.02968	0.3
73.28706	0.1
81.47134	0.1
82.60433	0.1
89.02480	0.2
92.90897	0.1
101.02428	0.1
113.02486	0.2
203.42165	0.1
230.69034	0.1
273.22464	0.1
277.21716	4.9
278.22168	0.5
291.23416	1.1
301.22125	0.1
319.22803	0.5
340.24710	0.1
372.11496	0.1
400.56223	0.1
524.45789	0.1
555.46594	0.1
609.42230	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	694.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62626	0.7
57.03437	0.7
57.62527	0.5
59.01384	5.6
61.98830	36.2
62.43048	0.5
70.92091	0.7
70.92428	1.4
71.01379	2.3
72.99304	0.6
75.00862	0.6
79.95705	0.7
80.05081	0.6
81.03441	0.8
81.23969	0.5
85.02962	2.6
87.00885	1.0
88.98791	0.6
89.02446	1.0
94.06634	0.6
95.05038	1.0
96.96023	8.1
99.00910	1.1
101.02464	1.0
105.05853	1.2
107.03814	2.7
110.06113	4.9
113.02437	1.8
115.00393	1.2
120.08208	28.8
121.05347	2.3
121.08543	1.2
122.06136	49.2
123.06457	1.9
134.06107	1.1
136.07680	1.5
138.05624	0.7
144.04567	4.0
152.07240	0.7
160.04016	1.2
161.04712	0.6
162.05641	1.5
164.07198	1.4
172.04094	0.8
172.07764	0.9
174.05617	5.0
175.02518	1.3
177.30162	0.6
188.03596	0.8
191.01930	0.8
199.08630	0.7
199.13525	0.8
200.07205	0.9
203.05887	4.3
204.06566	1.1
205.07219	0.6
222.07935	0.9
223.08696	1.9
225.14032	1.6
236.09506	3.7
237.10326	4.4
238.10954	1.1
239.08266	1.1
239.11839	1.2
240.09074	0.7
241.13513	1.8
243.15085	1.2
249.10289	2.0
249.13907	1.9
250.07288	1.3
250.11041	2.6
251.11879	19.4
252.12323	2.7
253.09709	0.8
253.13292	1.1
254.10306	0.6
262.07388	0.7
263.08261	3.6
263.11737	3.5
264.08966	3.8
264.12460	1.5
265.09647	2.2
265.13303	4.4
266.10495	1.2
267.07745	1.0
268.08496	1.4
269.09329	0.6
276.08978	3.7
277.09830	17.9
277.12897	0.9
278.10461	8.1
279.11258	4.0
280.12183	1.2
281.09348	1.7
282.09991	2.2
283.10831	2.4
285.12463	0.9
287.14063	1.6
291.11392	25.3
292.12137	28.1
293.09631	0.8
293.12894	20.6
294.10251	0.9
294.13275	2.7
295.10861	2.1
295.14279	1.0
296.11639	1.4
306.10388	0.7
309.12430	1.2
310.09464	1.0
311.10339	1.3
312.11121	0.7
313.11902	1.7
319.10739	1.4
323.10193	0.8
324.11197	4.7
325.11823	2.6
325.15341	1.1
326.12698	1.1
335.10361	10.8
336.11078	13.3
337.11902	8.2
338.12161	0.9
343.13016	1.1
344.13989	0.9
346.19260	0.8
358.15479	0.9
358.19366	0.7
359.16385	0.9
360.17258	3.8
370.19266	1.1
372.17145	8.6
373.17749	2.6
374.18787	3.8
386.14774	1.2
386.19095	1.1
390.18158	2.5
400.16641	2.2
402.18256	3.4
403.19022	1.4
404.16080	0.9
405.16840	0.9
406.17657	2.6
414.18262	12.2
415.18848	4.4
418.17627	6.4
419.18204	1.0
432.19397	6.2
433.19705	2.3
436.18707	1.9
441.17224	0.7
446.16797	0.8
447.17438	1.3
458.17392	3.4
459.17905	4.9
476.18228	14.2
477.18967	8.4
478.19424	2.7
490.19995	4.8
495.23917	2.0
508.20871	47.0
509.21362	9.1
513.24799	1.1
525.24890	0.8
537.24896	4.8
538.25012	1.3
555.26227	9.3
556.26428	2.0
569.24353	1.6
581.24127	8.8
582.24738	1.2
599.25128	58.0
600.25433	12.8
601.26770	3.8
613.26758	13.9
614.27246	2.2
615.30688	1.1
631.27844	100.0
632.28204	25.7
694.34967	0.8
695.25165	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	693.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02399	0.6
65.00327	1.2
70.15745	1.0
71.46308	0.2
83.01401	0.6
91.01919	0.3
93.03487	0.3
97.67705	0.2
104.06892	0.2
107.01402	2.6
108.02206	1.4
109.02966	0.9
116.87978	0.2
119.01385	0.3
121.02962	0.9
125.02429	0.3
135.00909	0.7
147.20784	0.2
148.01674	1.3
149.02528	0.2
151.00395	7.7
152.01152	0.2
153.01991	0.4
163.00395	1.9
164.01149	0.7
169.01439	0.6
171.04546	0.2
178.99879	5.0
183.04562	0.4
187.04025	0.4
190.99951	0.2
192.00606	0.4
199.03973	1.1
200.04637	0.2
201.01668	0.2
203.03481	0.4
211.03995	0.9
215.03561	0.7
216.04254	0.6
226.02773	1.6
227.03482	2.9
228.04181	0.3
229.01453	0.4
229.05051	0.4
239.03613	0.3
243.02971	10.9
244.03525	1.1
245.04480	0.7
254.02176	2.4
255.02971	29.0
256.03311	2.1
271.02454	59.6
272.02872	5.4
273.04047	0.6
277.21747	0.4
283.02567	1.0
299.02051	1.3
300.02753	100.0
301.03409	25.6
302.03790	1.8
313.03638	0.2
343.04446	0.4
372.92090	0.3
433.07849	0.7
472.88232	0.2
505.42319	0.2
683.09393	0.2
693.29340	56.5
694.29669	15.4
694.42029	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49678	1.0
50.64617	0.8
54.25239	0.9
55.01869	1.4
57.03445	8.9
59.01096	1.5
59.01378	25.6
67.01882	1.4
67.19460	0.9
68.99807	3.2
69.03442	2.8
69.75797	0.9
69.76132	7.5
69.82476	1.0
71.01385	26.9
72.99310	8.6
73.02940	3.7
75.00457	2.0
75.00878	31.2
78.79251	0.9
79.95749	1.9
81.03464	1.4
83.01378	4.3
83.05041	2.2
85.02954	38.3
86.03284	1.1
87.00883	9.7
87.04520	2.5
89.02460	7.7
91.03996	1.0
93.03454	2.3
95.01404	8.0
96.96022	12.6
97.02950	1.5
98.95592	1.3
99.00893	31.7
99.04529	71.3
100.04829	1.0
101.02425	2.5
103.00372	2.9
109.02948	2.5
111.00881	3.1
111.04520	1.5
113.02463	26.5
115.00358	3.7
117.01911	3.0
119.08624	1.1
120.55017	1.1
123.04480	1.4
125.02435	1.0
129.01947	7.1
134.03777	4.5
136.01706	1.5
137.02528	1.1
137.09747	6.8
139.00385	1.5
139.07654	4.3
141.01941	1.4
143.03581	1.2
147.03064	2.0
149.06143	1.1
151.04010	2.3
153.01950	1.6
154.99861	1.0
157.01431	4.4
160.01733	0.9
160.04021	7.2
163.04037	1.2
164.04666	1.1
169.04962	1.0
173.00978	2.3
175.02518	2.4
175.03918	1.8
175.14981	7.9
181.08713	2.8
187.78513	1.1
190.02849	1.1
191.01993	6.0
191.03519	1.3
193.05078	2.5
201.12823	1.8
219.13878	11.5
231.05092	4.1
237.14899	4.6
241.05086	3.1
249.06139	25.2
250.06645	1.1
255.06665	2.4
256.07336	1.8
263.12863	1.7
267.07208	9.3
268.07861	1.0
270.09155	1.5
271.09750	4.0
281.13928	2.3
299.32947	1.0
301.10770	1.4
324.97858	1.0
331.10248	6.3
349.05841	1.1
349.06824	1.4
349.11407	14.5
367.06522	4.6
367.10794	1.4
373.12872	2.2
469.20642	4.0
495.18802	1.9
507.15594	1.5
513.12079	1.2
513.19775	40.2
514.20117	6.4
531.20807	100.0
532.21161	17.4
555.20947	1.2
573.22131	5.9
574.21912	1.3
613.29871	1.2
649.22339	1.0
693.26361	74.2
694.26361	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47744	0.7
58.90744	0.7
59.01378	15.8
61.13366	0.8
61.98829	17.0
71.01388	2.0
71.26713	1.6
71.50829	0.7
72.99284	0.7
73.02927	0.9
76.12749	0.7
77.73748	0.8
79.95741	0.8
85.02965	1.6
89.02474	0.8
94.06636	1.1
96.96011	2.7
101.02442	1.0
106.06622	1.5
110.06133	6.5
115.76764	1.0
120.08208	3.0
121.05304	3.9
122.06139	23.2
130.06648	1.5
132.04555	0.9
134.06120	6.6
134.92027	0.7
137.85034	0.8
144.04558	1.2
154.18161	0.8
159.05652	1.0
160.04042	2.0
160.06445	9.6
161.04829	2.8
162.05574	1.0
174.05595	9.0
183.13863	1.0
187.06375	1.0
188.03519	1.2
193.03773	0.9
198.12946	0.7
203.05876	2.6
203.11893	1.9
213.10339	37.3
214.10699	2.5
215.11839	2.6
223.08849	0.9
225.10294	3.3
226.11000	4.0
227.11807	1.2
236.09595	1.2
237.10301	1.9
239.11906	16.7
240.12065	1.8
241.13458	21.4
242.13768	2.0
251.11855	4.4
267.07101	1.5
271.10599	1.0
277.09665	0.9
281.09235	2.0
283.10846	5.4
285.12430	96.5
286.12802	8.3
291.11340	2.0
292.11407	0.8
293.12888	8.3
295.11151	0.9
301.11920	2.6
311.10376	1.0
313.12161	0.8
328.10931	2.5
328.14548	1.2
329.15274	1.5
330.16019	2.4
341.11652	1.7
342.12097	1.9
342.16068	1.7
343.13083	5.8
344.14160	1.3
344.17764	3.5
345.18356	1.9
354.12183	1.4
354.16022	2.6
355.13147	1.4
356.14020	9.5
357.14624	2.4
368.17645	3.1
369.14487	1.5
369.18597	1.3
370.15594	20.3
371.16309	4.6
372.17218	6.4
382.11935	1.6
383.12540	1.3
384.13416	2.5
384.17639	1.2
396.13358	1.2
397.14240	1.7
398.15027	15.7
399.15344	2.5
403.15408	6.4
404.15805	0.9
412.16736	8.5
413.17337	9.7
414.18115	1.3
414.49573	0.8
416.16275	1.7
444.38779	0.8
445.16302	1.4
467.24847	0.9
481.22543	1.6
485.25095	1.9
488.34695	0.9
493.22574	5.4
494.22635	1.3
511.23465	6.4
512.23749	1.4
523.23334	2.2
535.23566	10.7
536.23676	2.1
553.24524	47.5
554.24921	9.4
556.23010	2.0
567.22412	1.5
579.22546	6.5
580.23267	1.0
585.26978	1.6
597.23547	92.8
598.23700	21.0
599.24994	1.3
611.25385	6.5
612.24945	0.9
629.26288	100.0
630.26556	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4446
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14383	0.2
59.01380	100.0
60.01714	1.1
61.98840	0.8
64.27356	0.1
71.01395	0.4
73.02972	0.3
78.95905	0.3
81.63269	0.2
89.02450	0.2
90.13986	0.2
98.19910	0.5
103.17407	0.2
113.02477	0.4
132.77473	0.2
161.04597	0.2
204.19453	0.2
226.92838	0.2
249.71738	0.2
263.81345	0.2
273.22333	0.3
277.21719	5.9
278.22131	0.8
291.23334	2.4
292.23740	0.3
319.22705	0.8
343.95425	0.2
419.94299	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22360	0.2
59.01378	100.0
60.01717	0.8
61.98832	2.2
70.59729	1.0
71.01402	0.8
73.02959	0.2
74.09948	0.3
78.95905	1.8
79.74072	0.2
82.12307	0.2
101.02456	0.2
106.02114	0.2
113.02504	0.5
152.98477	0.2
152.99588	1.3
188.74684	0.3
218.57713	0.3
273.22455	0.2
277.21722	8.9
278.22070	1.4
291.23303	3.5
301.21912	0.3
319.22794	1.3
353.21832	0.2
413.21158	0.5
430.80414	0.3
643.73761	0.3
691.43085	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17649	0.1
50.46314	0.1
52.04655	0.1
53.20794	0.1
53.22594	0.1
59.01377	100.0
60.01717	1.1
60.01977	0.2
61.98832	7.1
64.79258	0.1
69.48711	0.8
69.49141	0.6
71.01385	0.3
78.95908	1.0
89.02449	0.2
95.41332	0.1
96.96984	0.1
98.20612	0.2
102.73949	0.1
105.84199	0.2
116.77815	0.1
140.67686	0.1
152.99553	0.7
206.65942	0.1
260.01575	0.1
277.21713	9.2
278.22055	0.7
291.23434	0.4
292.23688	0.1
319.23053	0.2
351.82709	0.1
413.20908	0.3
431.22324	0.2
468.79404	0.1
691.44348	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3203
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65559	0.2
59.01374	1.6
60.99305	16.1
61.98830	1.8
70.08374	0.2
71.01388	0.4
73.02936	0.3
78.95908	0.6
87.00885	0.9
88.00407	1.6
88.98812	100.0
89.02447	8.3
89.99139	1.4
96.02432	0.2
98.20674	0.7
101.02457	0.3
113.02430	0.4
116.92836	0.2
119.03440	0.2
124.00905	0.2
140.01955	0.2
148.91005	0.3
151.40402	0.2
152.99612	0.4
230.84151	0.4
253.53899	0.2
277.21716	1.5
323.09833	0.4
341.10941	0.8
413.21030	0.3
453.14468	0.3
482.15207	0.4
496.17148	0.9
497.16913	0.3
551.19165	0.4
552.19604	3.2
553.19214	0.8
559.49030	0.2
587.18292	0.2
596.18823	0.3
601.32434	0.3
628.21375	8.9
629.21381	3.6
631.21533	0.3
691.22388	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54617	0.2
55.01883	0.6
57.03438	0.7
58.00595	1.0
59.01379	17.4
59.30719	0.2
61.98827	3.1
68.99799	0.2
69.03455	1.1
71.01385	15.0
72.99313	1.4
73.02960	2.3
75.00877	0.6
79.95745	0.2
80.06030	0.3
81.03457	0.6
82.26305	0.2
83.01406	1.6
83.05027	0.3
85.02957	3.9
87.00883	3.7
89.02451	11.6
90.02806	0.3
91.04006	0.3
95.01398	1.1
95.05017	0.5
96.96001	1.7
97.02977	2.1
98.20645	0.6
99.00900	1.1
101.02453	10.1
109.02921	0.3
111.00903	0.2
111.04504	0.3
111.08192	0.4
113.02461	5.1
113.09716	0.3
114.02792	0.3
119.03513	3.2
123.00923	0.3
125.02457	3.5
131.03499	0.7
133.05133	0.3
143.03514	1.9
146.95108	0.2
149.04590	0.4
155.10748	0.3
161.04543	2.0
167.10805	0.3
171.10358	0.4
179.05624	3.0
179.14418	0.9
181.12411	0.2
183.10255	0.9
195.13919	7.2
196.14435	0.6
205.12383	0.6
205.16035	0.3
211.13429	1.0
220.06003	0.2
221.06679	1.0
223.13382	5.2
224.13863	0.6
228.13622	0.8
229.46089	0.3
231.21210	0.5
235.08189	3.1
245.06599	0.3
253.09164	1.2
256.13150	0.9
263.07800	0.4
265.21741	0.6
267.07178	0.6
275.20163	4.0
276.20508	0.4
287.07761	0.8
292.81226	0.2
293.21216	100.0
294.21573	10.8
294.24063	0.2
305.08746	0.7
323.09738	0.3
397.13525	22.6
398.13843	2.1
415.14578	25.8
416.14951	2.7
429.04752	0.2
455.24326	0.3
647.34143	0.4
654.27307	0.4
680.54840	0.3
691.35663	2.4
692.36365	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.429
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84443	0.5
53.76875	0.4
59.01377	100.0
60.01716	1.5
61.91481	0.4
61.98837	1.5
65.83270	0.4
71.01403	1.4
71.29968	0.9
71.30327	0.5
73.02947	1.2
89.02470	0.5
101.02503	0.7
105.62436	0.4
113.02513	0.9
273.22327	0.7
277.21707	12.1
278.22168	1.3
291.23300	8.5
291.26303	0.6
292.23773	0.7
300.50516	0.4
301.21866	1.5
319.22766	3.4
349.23697	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81182	0.3
57.19415	0.3
59.01365	1.0
60.99311	4.7
61.98833	9.0
67.09705	0.3
69.95158	0.3
71.01391	0.6
73.02946	0.8
78.84559	0.2
87.00880	3.4
88.00411	4.6
88.98816	29.1
89.02445	2.0
104.85629	0.3
123.53576	0.3
135.83223	0.3
168.84940	0.3
174.45518	0.3
277.21713	0.6
278.30185	0.3
299.04517	0.4
341.10745	0.3
349.41467	0.3
437.12186	0.4
438.13232	0.8
451.14142	0.8
452.15079	2.0
453.15201	0.5
465.15985	0.6
466.16821	0.5
470.16199	0.3
479.17432	0.3
480.14523	0.6
481.14975	5.7
482.15460	1.1
484.14594	0.6
493.15161	1.0
494.15457	0.8
495.16751	11.0
496.17303	2.3
498.16763	0.7
507.19797	0.4
508.17560	1.1
509.18433	1.4
512.13287	0.9
521.14880	0.4
522.15002	0.5
523.17877	0.7
524.16553	0.4
526.14429	0.6
533.18146	0.6
535.16296	1.5
536.17041	2.6
537.17346	0.9
539.15680	0.4
540.16504	2.5
541.16693	0.7
551.19330	30.1
552.19568	10.2
553.19244	0.4
554.19263	2.7
555.18549	0.8
556.18365	0.5
567.19318	0.6
568.16034	0.7
572.15594	3.1
573.15698	0.7
578.26501	0.6
586.17310	2.2
587.17242	0.9
595.18500	3.1
596.18414	1.2
627.21106	100.0
628.21381	32.6
629.21075	0.6
630.21375	5.4
631.21552	0.9
690.23132	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68966	1.0
56.54633	1.0
59.01380	38.3
61.98833	20.4
65.72719	1.0
65.78255	1.0
69.03442	1.8
69.55274	0.9
69.98557	1.1
69.98869	6.3
71.01385	17.7
72.99301	2.3
73.02953	7.6
74.99073	1.1
75.00850	1.9
79.95724	4.1
80.05038	1.1
80.96486	1.1
81.16512	1.1
83.01373	3.8
83.91975	1.3
85.02528	1.0
85.02964	9.2
87.00861	3.1
88.98806	1.1
89.02435	7.6
92.05030	3.7
93.03450	1.6
94.06599	3.7
95.01377	1.7
96.96027	33.9
97.06594	1.7
98.95582	3.4
99.00849	2.8
99.04490	1.9
101.02454	9.8
103.00348	1.8
104.05028	4.0
106.06644	16.7
108.04520	4.7
109.02928	1.4
111.00864	1.4
113.02455	7.3
114.99059	1.1
115.00349	1.4
115.03962	1.6
118.06658	1.1
119.03471	1.5
120.01208	1.4
120.04575	6.0
122.06134	17.9
122.09016	1.1
123.03198	1.6
124.07696	1.4
125.02435	1.5
128.03488	1.4
129.01988	1.3
131.03621	1.5
132.04541	3.7
134.06042	4.6
135.04530	1.5
136.03996	1.4
137.02457	1.2
138.04712	1.8
138.05629	21.7
139.05928	1.8
142.87605	1.0
146.06096	1.2
148.04062	7.9
149.04460	1.5
150.03073	1.8
150.05630	23.5
151.00343	1.2
151.05916	1.9
152.07098	4.2
158.06064	2.8
160.04001	2.6
160.07634	3.4
161.04619	2.2
161.05968	1.2
162.05519	2.3
164.03471	1.5
165.05580	1.3
166.05011	2.8
167.03510	1.3
171.05408	1.1
174.05542	3.1
174.12894	1.4
176.01022	1.3
178.05029	4.5
181.05003	1.4
190.05043	1.4
191.03455	1.3
202.12257	2.1
203.09515	1.2
204.06584	2.1
209.10826	1.3
211.08733	1.9
211.12297	1.8
215.11781	4.3
216.10448	1.2
217.07288	3.3
222.07814	1.3
223.08621	1.7
223.12395	1.3
224.09428	2.3
225.10149	1.3
225.11284	1.1
226.07440	1.1
227.08054	1.1
227.11867	2.0
229.09720	1.5
231.11237	3.1
235.08559	2.9
235.12218	2.3
236.09358	3.5
237.10349	12.5
238.10785	1.8
239.11726	1.8
241.00079	1.6
241.09903	13.8
242.10143	1.4
243.11333	4.9
246.11314	1.8
249.06181	1.1
249.10323	7.8
251.08107	4.4
251.11908	22.6
252.12254	1.4
253.09613	2.8
253.13272	1.3
254.10522	1.4
255.11284	5.7
259.10852	8.3
261.10245	2.5
263.08243	6.4
264.09036	25.8
265.09445	5.6
267.07239	1.4
267.11224	3.1
271.10818	13.7
277.09790	5.5
278.10260	1.8
279.11374	74.4
280.08896	1.2
280.11710	7.5
281.09283	2.5
289.11993	16.5
290.12082	1.1
291.19586	3.1
293.09042	1.5
295.10681	3.9
297.12402	5.9
305.09140	3.2
306.07449	1.1
309.08554	1.8
309.20441	1.8
311.10043	1.7
323.10324	5.0
327.09418	1.4
329.11017	2.4
333.10822	1.9
341.11194	3.3
355.95535	1.2
357.10541	1.6
412.16602	1.3
420.15573	2.2
456.15329	1.5
468.17722	15.0
477.30994	1.3
513.27087	18.4
514.26941	3.1
547.19592	1.7
557.29974	1.4
571.21722	4.2
585.32275	3.9
595.21954	41.1
596.22278	9.1
603.30328	11.1
604.31244	1.3
613.23212	39.7
614.23474	8.4
627.24646	10.5
628.24469	3.5
628.37592	1.1
629.36133	1.3
639.21088	20.8
640.20557	3.9
645.31396	10.0
646.32886	8.6
657.22113	28.0
658.22437	6.4
671.23553	11.1
672.23407	2.5
688.38647	2.0
689.24384	100.0
690.24786	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	689.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.3
57.66275	0.3
59.01379	7.4
61.98819	0.7
71.01372	1.2
71.72984	0.6
73.02953	0.6
78.95918	0.4
79.95740	5.8
80.96526	2.2
83.01411	0.3
83.05060	0.3
84.04762	0.3
85.02951	2.3
87.00900	1.4
87.04502	0.3
89.02466	0.4
93.03452	0.4
94.98081	0.6
95.01383	0.4
95.95241	1.3
96.96021	100.0
97.95930	0.4
98.95608	0.6
101.02442	0.9
103.00384	5.3
109.02966	0.6
113.02467	0.3
120.01276	0.4
121.02983	1.3
122.03757	0.5
122.97573	0.5
125.02489	0.5
129.02002	0.3
134.97585	1.3
135.04543	0.8
137.02428	0.6
138.97084	1.0
143.03531	0.3
147.04530	0.6
149.06087	0.3
150.03217	0.5
150.97105	0.6
152.98637	3.6
153.01881	0.3
164.98628	0.6
165.05566	2.0
179.07140	0.5
180.98097	1.0
191.02036	0.7
194.99664	0.8
195.06699	0.3
205.03513	0.3
209.03069	0.4
212.05699	0.3
221.89787	0.3
222.99174	0.9
241.00233	18.4
242.00476	0.9
283.01282	5.4
284.01483	0.3
301.03610	0.3
302.36508	0.3
361.16544	3.4
362.16678	0.4
392.04996	0.3
419.90149	0.3
516.37726	0.3
603.17535	9.6
604.17841	1.6
627.13745	0.4
645.18665	24.9
646.18866	3.9
655.21588	0.3
671.16351	0.6
689.17523	19.2
690.17902	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	689.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01091	0.4
59.01379	7.2
59.37903	0.2
61.98833	0.4
71.01385	1.3
71.72997	0.4
72.99319	0.3
73.02946	0.5
75.00899	0.4
79.95744	5.2
80.96539	2.1
83.01379	0.3
85.02946	1.4
87.00881	0.6
88.98819	0.6
94.98128	0.3
95.95234	1.2
96.96022	100.0
97.02910	0.2
97.95949	0.4
98.95601	1.0
99.00922	0.3
101.02460	0.8
103.00381	5.6
109.02940	0.4
113.02444	0.6
119.27206	0.2
121.02968	1.3
122.03748	0.9
122.97580	0.7
123.04577	0.3
129.01894	0.3
134.97600	1.6
137.02441	0.5
138.97084	1.0
143.03534	0.3
147.04544	0.5
150.97076	0.6
152.97455	0.3
152.98651	4.6
154.53436	0.2
164.98634	0.8
165.05615	1.9
166.96634	0.3
179.07115	0.3
180.98114	0.9
191.01978	0.3
193.53210	0.2
194.39438	0.2
194.99669	0.9
197.49368	0.2
222.99164	0.9
223.09763	0.2
225.00702	0.3
241.00230	21.8
242.00528	1.1
242.02834	0.2
283.01291	5.4
300.02759	0.3
301.03354	0.2
333.22177	0.2
346.14157	0.7
348.09644	0.2
361.16550	3.5
362.16821	0.4
433.07843	0.5
497.44904	0.3
603.17505	9.4
604.17554	1.5
627.13226	0.4
645.18677	25.7
646.18945	4.4
689.17651	20.4
690.18054	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	687.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23244	0.6
59.01378	100.0
59.45033	0.7
61.98818	4.4
62.66502	0.6
69.70596	1.6
69.70996	4.5
74.71693	0.7
78.95903	1.0
98.19931	1.5
146.89070	0.7
255.23273	1.0
277.21753	7.8
381.56174	0.7
397.98236	0.7
444.30206	0.7
452.14481	0.9
467.17178	6.3
468.17300	1.7
481.18646	3.2
482.18924	1.0
483.20166	1.6
526.18616	2.6
540.20355	1.0
541.20923	20.1
542.21100	6.4
558.17499	4.4
559.17438	1.3
572.19067	0.8
627.24615	9.6
628.24634	2.1
687.26831	33.5
688.27301	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	686.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43407	0.2
59.01379	0.5
61.69585	0.2
61.98829	100.0
62.98517	0.2
66.76121	0.2
67.65536	0.2
71.73123	0.2
82.95426	0.5
96.95997	0.2
145.94447	0.2
277.01291	0.2
277.21860	0.3
356.23721	0.2
626.35626	0.6
628.30194	0.2
687.38495	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57568	0.1
61.98829	100.0
62.98529	0.3
64.29873	0.2
67.75970	0.1
69.51119	0.2
71.73077	0.3
220.01404	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.7
61.98830	100.0
71.72930	0.2
78.69749	0.2
132.37482	0.2
182.55876	0.2
255.23323	0.9
426.06384	0.2
470.53128	0.2
646.96918	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03885	0.5
57.03457	1.7
59.01377	11.0
60.01719	0.7
61.98833	6.9
69.71426	5.3
71.01390	5.2
72.99303	1.2
73.02933	1.8
75.00876	1.1
79.95738	1.2
80.05070	1.8
80.69394	0.6
83.01382	1.4
83.23923	0.7
83.90024	0.6
85.02959	3.0
87.00923	1.2
88.04081	1.0
88.98828	0.8
89.02458	1.6
92.13703	0.7
94.02997	0.7
94.06624	0.8
95.95284	0.8
96.96022	10.0
99.00875	0.7
99.31229	0.7
101.02449	2.8
104.05076	2.1
106.06643	15.9
108.04575	8.2
108.08175	0.8
113.02478	2.3
117.56120	0.7
120.04587	4.0
121.02979	0.9
121.05350	1.0
121.77715	0.7
122.06128	11.6
125.02500	0.8
130.06621	1.0
132.04555	4.6
134.06120	4.7
135.08199	1.0
137.09708	1.6
138.05643	8.5
146.06123	1.5
148.04030	2.4
150.03273	0.9
150.05620	17.8
151.05994	0.9
152.07164	2.3
155.10802	7.4
158.06152	1.9
160.01765	0.6
160.04050	8.4
160.07719	1.3
161.04547	1.9
166.05063	1.1
171.10329	1.0
174.01669	0.7
174.05635	2.5
174.12956	0.8
176.03526	1.0
178.05115	2.0
188.03520	2.1
189.04330	5.0
190.04803	0.9
193.04990	0.7
199.09816	2.4
202.05086	5.1
202.12405	2.0
209.11794	1.1
215.11937	1.8
217.07487	1.5
218.04610	1.8
223.08659	1.1
225.10387	2.5
226.07487	1.8
227.11829	1.7
228.08885	0.8
229.09824	0.8
231.08972	0.9
231.11336	1.2
234.08011	0.9
235.08670	0.7
237.10347	0.8
238.07550	1.2
239.08188	3.7
241.09798	6.2
243.11401	1.9
246.11479	0.9
249.06601	0.9
249.10295	3.7
250.07379	1.4
251.08279	6.1
251.11935	3.6
252.09047	18.8
253.09787	13.7
254.10175	1.2
259.10849	5.0
262.07480	1.1
263.08337	1.9
265.06033	0.8
265.09824	5.7
266.08148	1.7
267.07611	1.1
267.08112	1.3
267.11346	13.0
268.11530	1.2
271.10840	7.0
272.11295	0.9
276.09006	1.1
277.09769	8.8
278.06918	3.5
278.10141	1.5
279.07715	11.4
280.08392	2.7
283.11084	1.1
289.11929	10.7
290.12198	0.8
291.07864	1.1
293.09311	8.8
294.09787	1.9
295.10886	54.5
296.11307	5.7
301.11856	1.1
311.10406	1.0
321.08807	35.7
322.09103	4.0
329.11362	0.7
333.10938	3.9
339.09885	17.1
340.10217	2.8
357.10809	1.2
420.15680	2.3
422.17410	1.0
438.16693	1.8
468.17746	14.6
469.17865	2.3
555.31830	6.6
569.19989	1.0
593.20300	0.9
611.21600	36.5
612.22040	7.7
637.19641	4.2
638.19049	1.5
644.36438	1.1
655.20538	100.0
656.20776	23.6
687.23102	53.1
687.35693	3.5
688.23407	12.8
688.34161	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48509	10.4
53.81787	9.9
56.49199	10.3
59.01369	44.3
61.98828	100.0
64.40414	9.1
69.47861	82.0
69.48279	22.2
71.01367	11.1
101.02388	21.6
107.01392	10.3
131.03502	11.2
253.87265	10.6
255.23212	35.2
277.21741	60.6
283.26312	15.7
397.14005	13.3
399.13803	10.6
694.86359	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	685.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.6
57.03437	0.5
59.01379	10.7
61.98827	2.4
67.35391	0.2
69.03449	1.1
71.01389	3.0
72.99299	0.6
73.02956	1.5
75.00866	1.0
78.95898	0.3
79.95738	5.7
80.96529	2.1
83.01393	4.0
83.05043	0.3
85.02957	3.4
87.00873	1.1
87.98811	0.2
89.02454	1.1
93.03448	0.4
94.98096	0.4
95.01406	0.4
95.95240	0.8
96.96022	100.0
97.03028	0.4
99.00896	0.9
101.02445	1.7
103.00382	5.1
103.21423	0.2
110.97520	0.3
111.00884	0.3
113.02457	2.0
115.00357	0.4
116.92878	0.3
119.03528	0.4
119.05028	0.6
120.01267	2.0
121.02966	0.8
122.03805	1.0
122.97593	0.6
123.04546	0.6
124.01646	0.3
125.02473	0.3
129.01945	0.3
133.02965	0.6
134.03749	0.3
134.97604	1.9
135.04547	0.5
136.07642	0.2
137.02463	0.3
137.06111	0.7
138.97063	1.1
143.03471	0.4
145.02963	0.3
147.04582	0.4
149.04552	0.3
149.06088	0.4
150.97060	0.6
152.98645	3.5
153.01910	0.2
155.45906	0.2
161.02458	1.1
161.04494	0.3
163.04007	0.3
164.98647	0.7
165.05673	0.3
166.02695	0.3
166.96582	0.2
167.03459	0.3
173.92586	0.3
175.02542	0.3
175.03973	0.3
179.05656	0.3
180.98224	1.1
185.00961	0.3
191.01997	0.9
193.05130	0.3
194.99692	0.6
195.06487	0.3
205.05037	0.3
209.08150	0.5
222.99185	1.1
241.00227	16.2
242.00549	0.8
245.31102	0.2
249.06065	0.3
267.07190	0.9
268.74561	0.2
283.01306	7.7
284.01599	0.5
301.03146	0.2
306.07480	0.2
327.00278	0.2
342.11145	0.4
357.13437	3.0
358.13998	0.3
419.20959	0.7
421.22577	0.2
455.19290	0.6
499.18588	1.0
599.14496	7.7
599.26978	1.2
600.14685	1.0
641.15601	26.2
641.28015	2.2
642.15845	4.2
642.26129	0.3
642.38141	0.3
667.13770	0.8
668.14008	0.2
684.37170	0.4
685.14679	11.9
685.26892	4.9
686.15063	2.2
686.28168	0.7
708.02039	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	3.3
57.03449	10.0
58.00595	0.9
59.01377	21.2
67.01890	4.2
68.99818	1.4
69.03455	9.0
71.01385	25.1
71.71450	1.0
72.99310	5.5
73.02949	16.7
75.00896	1.1
75.36353	0.6
78.95912	1.0
81.03448	3.5
83.01387	10.6
83.05040	2.1
84.02178	1.6
85.02958	86.6
86.03300	2.9
87.00882	100.0
88.01221	1.3
89.02445	2.5
92.95194	0.6
93.03477	1.6
95.01398	24.3
96.01749	1.4
96.96013	1.7
97.02960	27.5
98.03284	1.4
99.00877	3.7
99.04525	2.9
101.02464	3.1
103.04011	9.5
108.02162	0.8
109.02979	3.9
111.00891	29.2
111.02042	1.2
111.04489	0.8
112.01741	1.5
113.02460	42.5
114.02776	1.1
115.00384	15.8
115.04003	1.8
116.00737	0.6
120.01280	1.0
125.02441	3.4
127.04022	8.2
129.01965	5.5
131.03488	1.1
131.38316	0.6
133.01572	3.4
135.91759	0.7
137.02435	1.5
139.00388	28.1
139.04013	0.9
139.26341	0.6
140.00700	0.8
143.03473	0.7
145.05058	2.0
147.03040	0.7
149.65613	0.6
150.04233	10.9
151.04016	0.6
155.03529	5.1
155.10774	1.4
157.01443	27.4
163.06154	2.8
167.03474	1.3
169.12323	0.8
173.04550	5.6
175.02484	48.5
176.02817	1.5
180.06717	1.8
191.01971	1.7
191.05595	0.9
192.02229	0.6
195.13916	8.6
199.02550	5.1
209.03050	1.2
212.06749	1.5
213.14938	4.3
217.03526	35.7
218.03783	1.9
241.07184	2.0
250.20345	0.6
255.15919	1.0
259.04584	4.8
259.08200	1.5
285.06061	3.8
299.15009	2.2
303.07208	24.3
304.07529	1.4
321.08246	9.4
322.08624	0.8
341.10922	1.1
342.11526	0.8
343.07007	0.9
343.12021	1.3
344.03964	6.1
344.10742	1.1
345.08261	19.4
346.08542	1.5
356.75867	0.6
363.09375	9.5
364.09695	0.9
423.11536	0.9
467.14319	0.8
479.10632	1.3
521.03595	1.3
521.11444	27.3
522.11578	2.8
527.15643	0.9
539.12463	4.0
540.12640	0.8
581.13538	14.5
582.13892	1.9
605.96283	0.7
625.16254	2.4
667.17303	21.7
668.17725	3.5
685.18494	42.9
686.18982	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	683.367
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	46.6
59.67884	1.2
61.98822	3.8
69.03451	1.6
71.01385	11.6
73.02948	2.0
83.01395	2.3
85.02953	3.3
87.00865	3.8
89.02470	5.9
96.96026	1.9
98.20726	2.8
101.02438	6.9
109.06654	1.6
111.08191	1.8
113.02463	4.0
119.03606	1.1
135.08171	1.6
137.09694	2.1
145.05042	1.8
161.04544	1.4
171.10269	6.7
179.05547	1.5
235.08301	7.3
239.16611	2.0
256.53320	1.6
265.17929	1.7
293.21143	3.2
315.27051	1.7
325.25369	3.0
341.25003	3.0
343.26483	4.0
351.23413	1.6
356.42691	1.4
359.25842	5.0
361.27087	1.5
369.24289	8.1
387.25519	25.2
388.25659	3.2
405.26587	19.0
406.27029	1.7
479.30121	2.2
566.89447	1.3
592.20642	1.3
605.33026	3.1
623.34479	100.0
624.34851	21.3
683.26428	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	681.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	28.8
61.98830	92.1
70.88937	14.2
70.89298	32.3
95.52573	12.9
123.49963	12.5
129.29092	13.7
185.11798	55.0
186.55458	12.4
277.21719	100.0
494.40958	13.6
537.42755	13.6
554.53400	13.1
681.38031	53.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86778	20.4
56.18373	15.5
59.01367	46.9
61.98832	100.0
65.86544	16.8
71.73913	24.1
74.68097	15.5
80.33180	16.0
185.11916	28.3
203.98448	15.9
277.21652	40.8
303.87924	17.0
681.37891	88.0
682.39148	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98854	16.0
53.76152	16.5
56.79099	17.8
57.93427	15.5
59.01368	41.5
59.62683	19.0
61.51908	17.9
61.98806	100.0
71.57322	39.4
98.05344	17.8
155.43140	19.1
230.75565	19.3
251.72357	20.4
277.21719	38.4
316.62732	19.9
422.28397	19.4
445.59134	19.0
473.74170	20.0
506.62878	19.7
593.72760	19.4
681.38428	64.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.3805
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01691	1.2
57.01396	1.4
57.03450	1.8
57.33219	1.0
59.01377	21.7
61.98828	23.5
62.37337	1.0
69.03446	1.7
70.75950	1.2
71.01389	11.4
72.99316	1.5
73.02948	4.6
73.04069	5.6
75.00883	2.4
79.95747	1.9
82.02988	2.0
83.02506	1.8
84.00897	2.8
85.02934	6.8
87.00883	2.4
89.02474	3.1
95.01414	1.2
95.02520	5.7
96.96026	21.0
98.02505	1.4
99.00914	1.7
99.02038	3.4
101.02477	4.9
101.64340	1.1
109.04084	3.1
112.05177	1.8
113.02438	5.8
113.03590	4.7
123.05653	1.6
124.04072	7.2
127.05148	17.6
128.03552	6.5
129.10361	8.5
130.06227	2.9
131.03542	1.3
132.31030	1.1
134.49153	1.1
139.05092	1.3
139.08778	2.6
140.07237	1.6
141.06731	3.1
141.10347	1.7
143.03465	1.3
147.03159	1.0
147.04509	5.9
150.03137	1.1
151.08807	6.0
152.07224	1.4
155.08292	3.6
156.32997	1.2
164.09581	1.8
165.05547	2.1
166.06239	7.1
167.04611	10.7
168.11473	4.1
169.09857	4.4
179.05679	1.2
180.07851	1.5
184.07320	11.4
185.05714	1.3
186.12466	5.5
195.06540	1.1
197.16583	1.6
198.08876	1.8
207.15016	6.4
207.98123	1.1
209.16611	1.3
222.12462	1.8
223.08395	8.6
224.06699	1.2
224.17648	6.7
225.13591	8.5
225.15977	2.4
237.10001	1.2
240.13521	2.0
241.00267	1.2
241.09412	25.3
242.18733	4.8
243.14648	4.4
243.45590	1.0
247.59694	1.0
279.14688	4.9
281.19849	6.1
297.15652	5.5
299.20895	8.6
300.48105	1.2
337.26239	3.0
348.69788	1.3
353.21793	1.4
354.17905	1.9
355.27176	1.8
356.23157	1.6
396.22528	3.2
411.20050	13.6
412.20798	2.3
452.28793	13.8
467.26187	11.8
468.26071	2.0
509.31363	1.6
515.31433	1.8
523.32526	1.9
535.33307	1.7
597.25049	1.8
620.34265	8.2
621.35376	1.4
638.35223	33.7
639.35944	5.3
682.38190	100.0
683.27960	4.1
683.38379	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	683.3667
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	37.8
61.98831	6.1
62.87465	1.1
68.34638	1.1
69.03465	1.4
71.01387	12.6
71.72661	1.0
72.99345	1.0
73.02940	3.9
80.91686	10.5
83.01394	2.0
83.05030	2.0
85.02953	4.1
87.00887	4.5
89.02465	4.6
95.01385	1.8
96.95982	1.6
97.02944	1.0
97.06582	1.3
99.00874	1.4
101.02451	6.3
109.06620	2.0
111.04562	1.0
113.02457	4.8
113.03210	1.4
119.03571	1.8
124.30897	1.0
135.08157	1.6
144.59326	1.4
145.05130	3.4
161.04582	3.2
171.10257	3.1
179.05602	1.8
198.82309	1.1
203.14354	1.4
231.17613	1.2
235.08240	6.6
239.16515	1.5
265.18027	1.3
277.21783	3.3
293.21066	1.5
315.26755	1.8
325.25394	3.6
341.24869	4.2
343.26511	3.8
351.23315	1.9
359.25861	6.0
361.27499	1.4
369.24252	6.8
377.26883	1.4
387.25403	30.6
388.25757	3.1
405.26440	22.0
406.26785	3.0
479.30038	1.5
595.34509	1.7
605.33173	1.8
623.34467	100.0
624.34882	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	681.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01297	0.5
59.01382	3.8
61.98824	1.4
69.89342	0.4
69.92142	0.5
71.01387	1.2
72.59731	0.5
75.00857	0.4
79.27818	0.4
82.02988	1.4
85.02965	2.6
87.04546	0.4
94.02998	15.5
94.06628	0.6
95.03279	0.6
96.96007	2.7
98.20671	0.9
99.00868	0.5
106.06648	0.9
108.04566	3.7
108.08226	0.4
110.06120	3.8
112.60315	0.5
113.02453	0.9
120.08237	0.4
121.05356	1.0
122.06146	5.5
124.04053	1.0
124.07623	0.5
125.04508	0.5
129.01978	0.7
134.06142	3.9
136.04012	0.5
136.07710	3.0
138.05595	3.4
144.04584	1.3
146.06114	2.0
148.07704	1.0
150.05559	0.7
152.07202	2.7
159.06921	0.5
160.04077	1.1
160.07678	0.8
161.04800	2.0
162.05544	1.3
173.04886	0.7
174.05608	1.8
180.06668	12.9
181.07094	0.6
186.05595	1.4
188.07166	6.9
191.01909	0.8
201.10303	1.4
203.05844	1.0
203.11810	0.8
204.06604	1.2
211.08815	0.5
212.05891	1.4
213.10410	1.2
215.11935	1.1
223.08768	0.7
224.09491	1.5
225.10390	1.1
227.12039	0.9
229.09781	0.8
231.11368	0.5
233.12964	0.7
236.09517	0.9
237.10323	2.6
238.07407	0.9
238.11101	0.5
239.08179	1.6
239.11838	6.6
240.12454	0.7
241.13419	1.7
249.10291	0.6
251.08194	2.2
251.11888	1.2
252.09050	1.7
252.12564	1.2
253.06166	1.6
253.09703	2.4
254.10587	0.5
255.11340	1.1
261.12491	1.2
263.11911	1.5
264.08978	1.7
265.09808	6.3
266.06863	0.5
266.10419	1.8
267.07733	2.0
267.11340	9.8
268.08475	2.1
268.11838	2.7
271.10519	0.7
273.12390	0.6
277.09756	0.9
278.10449	0.5
279.07715	2.5
279.11374	4.7
280.08469	2.3
280.12061	3.2
281.09290	4.7
281.12927	1.5
282.09683	0.6
283.10837	1.1
285.08823	1.0
289.09641	0.6
290.10419	1.0
291.08450	0.5
291.11105	2.7
292.08588	1.2
292.11880	0.8
293.09290	6.0
294.09924	1.2
295.10852	4.6
296.11624	4.9
298.09540	1.5
299.10327	1.4
300.02460	0.6
300.11096	1.3
301.11884	1.8
307.10907	13.4
308.11639	27.8
309.08920	0.6
309.12085	3.4
311.10373	3.1
312.11041	1.5
313.12094	0.5
319.12961	1.7
325.11923	1.1
327.13492	1.6
336.12854	1.0
337.12869	0.9
340.10669	11.7
341.11002	1.5
347.12912	0.5
350.18814	0.7
351.09814	0.9
352.10657	2.6
353.11523	0.6
371.12381	1.0
372.13342	1.3
376.16922	0.5
377.17468	0.9
388.16638	1.6
389.17319	1.7
390.18188	0.7
394.17554	0.6
402.18225	1.1
406.17844	1.0
412.16788	0.5
418.17926	3.8
419.18033	0.6
424.18945	0.9
428.15930	0.5
430.17719	16.0
431.18045	2.8
433.15500	1.4
436.18716	0.5
448.18826	14.1
449.19284	2.4
450.16727	0.6
451.17218	0.6
456.15378	0.9
462.16681	0.6
463.08804	0.6
474.16736	3.1
475.17804	0.6
492.17773	56.4
493.18146	9.5
496.20865	0.9
506.19287	3.0
512.20209	1.3
524.20337	100.0
525.20685	19.0
545.24005	0.6
587.24829	0.9
589.22705	1.2
605.25122	0.5
607.23944	7.1
608.24695	1.8
621.25525	2.1
631.24237	2.4
632.23999	0.8
649.25409	2.4
650.25208	0.7
657.37036	0.5
663.26849	3.5
664.27698	0.5
673.46619	0.6
681.28217	13.3
682.29095	3.0
685.26660	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.5
57.03447	0.7
58.00592	2.2
59.01379	33.6
60.01723	0.3
61.98830	2.9
67.01898	0.2
68.99815	0.3
69.03459	1.9
69.59895	1.2
69.60324	0.9
71.01385	31.9
72.01740	0.4
72.80643	0.2
72.99309	3.2
73.02952	5.0
75.00877	0.7
81.03462	1.5
83.01394	4.0
83.05024	0.3
85.02962	7.4
86.00127	0.2
87.00884	8.0
89.02451	28.8
90.02778	0.4
91.04014	0.7
92.52158	0.2
95.01399	2.5
97.02962	6.2
99.00888	2.4
99.04518	0.4
101.02455	26.9
102.02816	0.4
103.04010	0.3
105.62479	0.3
105.64813	0.2
109.02933	0.5
111.00929	0.5
111.04523	1.3
112.01749	0.3
113.02460	13.9
114.02769	0.3
115.04001	0.7
119.03515	8.9
121.02967	0.7
122.10030	0.2
123.00829	0.3
124.01681	0.3
125.02465	12.3
126.02779	0.3
127.04068	0.5
129.01936	0.3
131.03529	1.5
133.05069	0.9
137.02415	0.3
139.04027	0.9
141.01941	0.6
143.03510	5.8
149.02477	0.4
149.04559	1.0
161.04570	6.4
167.03502	0.7
169.05109	0.4
179.05638	5.5
185.04530	0.4
198.20055	0.3
199.06097	0.5
203.05624	0.5
217.07190	0.9
221.06660	2.2
235.08218	13.7
236.08684	0.6
241.81108	0.2
245.06693	1.1
253.09283	3.0
263.07645	1.2
277.09283	0.7
281.24841	100.0
282.25192	11.6
287.07730	4.0
295.26443	0.5
305.08743	4.0
323.09702	1.7
361.11688	0.4
379.12387	0.8
397.13510	90.4
398.13843	7.4
405.14072	0.3
415.14563	32.4
416.14923	3.7
422.15823	0.3
679.38782	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.5
59.01379	21.7
59.91360	1.1
61.98826	13.2
68.27473	0.9
69.03460	1.2
69.38760	1.1
69.39079	11.0
70.27338	0.8
71.01385	8.9
72.99312	1.8
73.02946	3.6
75.00875	2.1
78.06531	0.9
79.95744	2.8
82.02977	1.9
83.01399	2.2
83.05041	1.2
85.02957	7.0
87.00896	2.8
88.98790	1.1
89.02455	2.7
93.47439	0.9
94.02990	20.9
94.99368	1.0
95.05022	1.2
95.95232	1.8
96.96018	30.1
98.95601	1.3
99.00898	3.3
101.02451	5.4
107.05032	1.0
108.04598	1.3
109.02942	1.2
113.02473	4.9
116.92878	2.3
120.01274	1.8
121.02999	1.5
122.06104	1.4
123.04529	1.1
124.04041	1.5
129.01944	1.7
131.03549	1.2
134.03743	1.8
134.06125	1.4
135.04549	4.9
136.04063	1.0
136.07776	1.1
137.02432	1.4
138.05644	6.1
143.03552	0.9
144.04573	1.0
149.04529	1.1
150.03191	1.0
150.05681	1.8
160.04001	1.8
161.04755	1.6
162.05585	1.3
167.03578	1.9
174.05644	1.3
185.00925	1.4
186.05669	1.2
188.07153	1.7
191.02025	1.5
193.05029	1.2
201.10223	1.6
203.05869	1.5
203.12032	1.7
213.10440	1.2
215.35374	1.0
217.13463	1.1
224.09499	1.5
224.60567	1.0
227.11865	1.3
229.09801	2.8
229.13455	1.1
237.10361	1.6
239.11873	7.9
241.00104	1.0
249.10352	2.3
251.11922	2.3
253.09770	1.4
254.88112	1.0
255.11360	2.0
256.99765	1.2
257.12927	1.0
261.10193	1.7
262.11224	1.1
263.08380	1.8
263.11914	2.3
264.08966	7.7
265.09689	6.0
266.10541	1.5
267.07123	1.1
267.11438	2.9
268.12036	1.3
273.12509	1.5
276.09061	2.8
277.09735	3.0
278.07156	2.0
278.10556	1.8
279.08261	2.0
279.11371	13.6
280.12009	3.2
281.12866	1.5
283.10983	1.5
285.12524	1.7
290.10522	2.3
291.07715	3.7
291.11417	9.3
292.08575	16.4
292.11758	2.4
293.09177	4.8
293.12622	1.9
294.09988	1.4
295.10754	1.9
301.11993	5.0
305.09399	2.4
306.10043	5.1
307.10861	41.9
308.11435	8.3
309.08884	1.6
309.12253	1.6
319.13031	9.9
320.13510	1.0
322.13007	1.7
323.10532	1.1
323.14005	5.8
325.12085	1.1
327.13541	1.7
333.08762	2.6
340.10635	1.9
350.09094	10.5
351.09836	42.3
352.10269	5.1
354.12289	1.0
365.11310	2.1
366.12268	1.2
383.12344	1.3
386.14801	1.7
387.16147	1.4
388.16769	1.2
400.16962	1.3
402.14203	1.1
414.18280	2.0
415.19199	2.2
416.15942	2.3
418.17593	1.0
430.17551	1.7
431.18567	4.6
432.19379	4.4
446.20868	7.6
447.21674	1.2
458.16995	1.6
464.21628	1.7
475.17410	3.3
476.18228	10.3
477.18643	1.8
490.19763	28.4
491.20407	7.2
507.19998	3.9
511.24002	1.2
522.22424	100.0
523.22815	15.6
547.31335	1.4
553.24445	1.6
571.25366	5.2
585.26685	2.0
587.24982	3.4
603.27875	4.1
615.24780	4.2
617.26672	1.1
619.27832	1.1
629.26306	9.7
630.26770	2.7
647.27393	42.0
648.27686	9.8
661.28986	8.0
662.28607	1.1
679.30493	25.1
680.30548	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	679.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	28.6
57.78613	0.5
57.91287	0.6
59.01379	31.2
61.98830	1.0
68.01976	0.6
69.03452	1.5
71.01378	2.7
73.02942	2.3
77.90816	0.7
79.95728	0.6
81.03451	1.1
83.01397	1.6
83.05007	1.1
84.02184	0.8
85.02957	48.9
86.03306	1.5
87.00901	1.0
87.04540	0.9
89.02426	0.8
96.96034	4.6
97.06613	0.8
97.77056	0.6
98.20759	1.2
99.00921	0.7
99.04521	3.5
101.02465	0.8
109.06596	13.5
111.00903	1.1
111.04528	7.2
115.00372	0.7
117.03474	2.1
119.05047	4.7
121.06596	0.8
123.08166	2.7
125.05990	0.7
129.01970	4.5
131.11832	0.8
135.07201	1.2
135.08182	20.1
137.09740	11.1
138.06889	2.7
145.02971	10.5
146.04610	0.9
147.03023	7.2
149.09744	4.6
153.09239	7.0
161.08252	0.9
163.04021	5.8
163.11313	8.9
164.11688	1.0
167.10789	9.1
168.11052	0.6
173.00926	1.6
175.02528	1.1
175.11269	0.7
177.09227	27.1
178.09547	1.0
183.13831	0.8
191.01988	54.0
191.10776	6.1
192.02324	1.7
193.12344	100.0
194.12704	7.0
199.11218	1.0
203.09210	0.9
207.13899	0.7
211.13399	38.6
212.13760	2.2
217.12338	4.0
235.13379	24.9
235.15775	0.9
236.13705	1.8
253.14445	20.8
254.14775	2.1
255.12331	2.0
293.06720	1.5
297.13449	11.3
298.13757	1.0
329.09018	1.6
335.12442	2.4
337.05719	5.9
679.20178	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36160	0.3
59.01380	3.2
67.01909	0.4
67.55952	0.3
69.58160	2.7
71.01386	0.8
72.99300	0.4
73.31226	0.3
74.02487	0.6
75.00883	0.5
79.05509	0.5
83.05036	0.6
85.02950	1.3
94.02985	1.6
96.17158	0.3
96.96017	2.3
99.00925	0.3
108.03931	0.3
108.04554	2.2
110.06097	0.3
113.02435	0.9
120.04556	0.8
122.06136	8.5
123.06474	0.4
123.30306	0.3
124.04059	1.3
130.33229	0.3
134.06140	1.6
135.06931	0.4
136.04079	3.6
136.07693	8.5
137.04854	0.5
137.08023	0.5
138.05656	1.6
144.04605	0.6
146.06097	0.5
149.02319	0.3
150.04446	0.5
150.05621	8.6
152.07211	1.8
157.74411	0.3
159.05609	0.3
159.11812	0.5
163.08762	0.4
172.94441	0.4
173.08302	0.3
174.09261	0.5
175.05136	0.3
176.03456	0.5
185.09737	0.5
186.04253	0.5
186.09248	3.1
187.11298	0.6
189.47661	0.3
200.10884	0.4
201.06572	2.3
202.07143	1.5
202.08823	1.2
202.12427	2.1
203.05878	0.6
203.08260	1.3
212.10809	1.5
214.07487	1.0
215.08188	2.7
216.08842	0.4
220.07262	0.3
228.10294	2.8
229.09804	13.9
230.12045	7.8
239.08145	0.4
240.09164	0.5
243.07651	0.5
243.11349	0.6
244.08537	0.5
245.09315	6.6
245.13060	0.9
255.11388	3.5
257.09314	7.1
258.09967	1.7
259.10812	1.0
267.07202	0.6
273.12436	19.0
274.13074	1.6
275.10352	1.7
275.84479	0.4
290.12753	0.5
291.13550	0.4
299.10315	0.8
317.11432	15.0
318.11774	1.5
334.11636	1.1
335.12479	100.0
336.12836	9.8
343.12973	1.3
349.18890	0.6
493.19205	0.3
517.19482	0.4
575.23352	0.4
599.25800	0.7
679.22699	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	679.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29324	1.0
59.01377	12.2
61.98835	2.4
67.81269	0.9
69.03470	1.0
71.01391	3.3
72.60505	0.9
73.02959	1.0
79.95749	1.0
82.03005	2.9
83.01433	1.4
85.02964	2.5
87.00909	1.0
89.02486	1.8
91.53867	0.9
94.02991	33.3
94.06645	1.8
95.03811	1.5
96.04545	1.1
96.95482	1.3
96.96021	7.0
99.00897	1.4
101.02425	1.0
108.04583	3.1
113.02457	1.8
119.05054	1.0
120.08215	1.5
122.06150	1.9
124.04075	4.1
124.07744	5.3
130.06721	1.7
132.08287	1.3
134.06158	2.5
135.04539	2.6
136.04068	3.0
136.07640	1.5
137.02473	1.1
137.04807	1.6
138.05624	13.7
144.04565	2.2
144.93526	1.0
146.03696	1.7
146.06091	1.3
148.05338	1.7
149.06024	1.0
150.05640	3.7
160.04063	2.3
160.05347	1.3
160.07755	1.0
161.04849	3.4
162.05638	3.7
163.04012	1.6
164.04810	1.8
168.06651	1.9
172.11371	1.9
174.05629	6.6
175.05156	1.7
179.07166	4.6
180.06606	2.0
181.05124	1.1
186.05591	2.3
186.12955	1.3
188.07123	1.8
193.03839	1.1
201.10347	10.4
203.05960	3.1
213.10245	5.5
215.11954	2.1
217.13394	2.9
224.09598	1.6
225.10388	1.3
227.11937	3.7
229.09827	11.6
229.13443	2.9
236.09589	1.9
237.10364	3.3
238.11052	1.1
239.08286	1.5
239.11884	15.8
240.12538	1.5
241.09810	2.2
241.13437	2.4
247.10893	1.9
247.29707	1.0
248.09555	1.3
249.10298	2.7
251.08243	2.3
251.11861	4.7
252.08971	1.6
255.11494	4.5
257.13028	5.4
259.10953	2.8
263.08350	3.4
263.11853	2.4
264.09045	11.1
265.09720	9.8
266.10376	2.7
267.11377	6.2
273.12314	5.5
275.08569	1.2
276.09067	2.7
277.09729	2.7
278.07446	1.6
278.10645	3.4
279.08118	1.4
279.11368	15.2
280.12137	3.3
281.10022	1.1
281.12714	5.1
283.10938	1.3
285.12469	6.7
289.12234	2.2
290.10196	1.7
291.07837	4.8
291.11407	12.8
292.08575	17.9
292.11868	1.7
293.09402	5.9
293.12381	1.3
294.09799	1.4
295.10999	2.1
296.11685	1.1
301.11993	17.7
302.12506	1.6
305.09351	2.6
306.10068	7.9
307.10886	48.1
308.11496	12.8
309.12463	3.8
310.09830	1.2
311.10388	1.8
312.11215	1.3
319.12988	48.1
320.13440	3.6
321.12170	1.0
322.13162	1.6
323.10275	1.2
323.14017	2.5
325.11926	1.7
327.13651	6.0
330.12637	1.7
333.08994	1.8
335.10437	2.3
340.10666	2.4
342.08307	1.1
342.12454	1.2
343.13504	1.1
345.14874	1.9
346.15817	1.7
350.09067	14.1
351.09854	49.3
352.10327	6.9
354.12213	1.7
359.12784	1.5
361.18192	1.5
365.11523	6.7
368.14108	1.1
370.11914	1.2
371.12668	1.2
372.13495	2.6
373.14377	1.0
374.15012	2.0
376.16525	2.1
377.13828	2.9
383.12469	1.7
384.13113	1.3
385.14026	1.3
386.15283	4.5
387.15869	1.5
388.16647	3.8
389.17599	1.5
390.18207	2.6
398.15308	1.2
400.16949	2.8
401.17740	1.1
402.14630	2.9
403.14948	1.7
404.15628	5.2
404.20709	1.3
405.16833	1.5
414.14258	2.0
416.16092	3.2
418.14398	2.9
419.14938	1.2
429.17224	2.5
430.17627	1.9
431.18570	3.7
432.14932	1.8
432.19400	3.4
435.18124	2.2
437.15979	2.6
446.21585	5.9
447.17508	2.1
448.18686	2.6
450.20444	2.6
458.17508	4.1
464.22095	4.6
475.17639	2.7
476.18332	16.1
477.18588	2.6
490.19888	37.6
491.20309	6.4
503.26443	2.0
507.20190	2.8
508.20856	2.2
511.23633	4.5
522.22449	99.9
523.22858	17.7
529.24719	10.0
530.25397	2.6
543.26392	1.4
553.24548	7.5
554.25403	1.8
555.22644	2.4
571.25629	36.2
572.26208	7.7
574.23871	1.6
585.27460	3.2
587.24957	7.4
588.25104	1.1
597.23767	3.3
603.28473	10.7
604.28754	2.6
615.24719	30.6
616.25171	6.3
619.27887	3.0
629.26666	10.5
630.26849	2.9
647.27368	100.0
648.27661	23.4
661.29211	4.5
679.30249	34.7
680.30585	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.6
59.15043	0.2
61.98829	100.0
64.80192	0.2
71.01384	0.6
71.73042	0.3
78.95900	0.4
79.95748	0.6
80.96516	3.6
85.02955	0.3
94.98114	0.8
97.02989	0.3
99.92572	0.5
101.02489	0.4
115.92087	1.1
116.92139	0.4
116.92890	1.3
117.92888	0.6
150.27657	0.3
152.98653	0.4
156.96034	0.3
164.98666	0.4
189.86293	0.3
190.48665	0.3
225.00807	1.1
277.21848	1.1
278.22171	0.9
369.16330	0.3
376.62030	0.3
496.72278	0.3
577.26929	4.7
578.27344	0.9
589.07593	0.3
615.34979	0.3
642.17456	0.3
678.20258	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.2
57.03453	1.2
58.00592	2.0
59.01378	33.3
60.01717	0.5
61.98820	0.6
67.01862	0.2
68.99809	0.6
69.03459	2.2
69.55154	0.3
69.55561	1.2
71.01385	35.1
72.01712	0.7
72.99314	3.0
73.02950	5.7
75.00864	0.8
79.01905	0.2
80.96521	1.3
81.03460	1.5
83.01390	4.1
83.05046	0.3
85.02957	7.3
86.00101	0.3
87.00320	0.2
87.00883	9.0
89.02448	29.9
90.02782	0.4
91.04017	0.8
93.03452	0.4
94.98075	0.2
95.01395	2.4
95.05046	0.2
97.02958	5.9
98.20569	0.3
99.00892	2.1
99.04527	0.5
99.92574	0.4
101.02452	30.9
102.02798	0.7
103.00377	0.5
103.04022	0.4
106.89333	0.2
108.44972	0.2
109.02954	0.7
111.00893	0.7
111.04530	0.9
112.01678	0.2
113.02461	14.2
114.02801	0.5
115.04036	0.7
115.92090	1.1
116.92865	1.1
119.03516	8.8
121.02982	0.6
123.00961	0.3
123.04563	0.2
124.01663	0.3
125.02462	12.0
126.02775	0.3
127.04050	0.4
129.01926	0.2
131.03532	1.7
132.03822	0.2
133.05083	1.0
137.02473	0.4
139.04004	1.0
139.55328	0.2
141.01961	0.5
143.03519	5.9
144.03813	0.2
149.02469	0.2
149.04584	1.2
151.04031	0.2
152.98648	0.3
157.05013	0.2
161.04578	7.0
162.04976	0.2
167.03525	0.7
169.05049	0.6
171.03036	0.3
179.05632	5.7
180.05997	0.3
181.05130	0.3
185.04558	0.6
199.06134	0.5
203.05539	0.4
209.12024	0.1
217.07198	1.0
219.05147	0.6
221.06648	2.2
225.00684	0.4
235.08223	14.4
236.08601	0.7
245.06621	1.0
253.09291	2.9
254.09531	0.2
259.08234	0.3
261.22211	0.4
263.07675	1.3
277.09256	0.9
277.21646	0.2
279.23270	100.0
280.23611	10.4
287.07733	3.6
288.08072	0.3
293.24930	0.3
305.08786	3.7
306.09100	0.4
323.09805	1.8
361.11359	0.5
379.12421	1.0
397.13504	88.2
398.13846	7.9
398.19220	0.3
407.30017	0.2
415.14557	33.9
416.14896	3.2
471.14883	0.2
492.14545	0.2
577.27026	1.1
600.93182	0.2
677.19696	0.3
677.37854	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.0
57.03431	1.0
58.00593	2.1
59.01380	35.2
60.01730	0.4
61.98828	1.9
67.01879	0.4
68.99815	0.6
69.03445	1.8
71.01385	34.6
71.73164	0.3
72.01704	0.7
72.99312	3.0
73.02953	6.0
75.00861	1.2
78.95908	0.5
79.87635	0.3
81.03468	1.9
83.01397	3.0
83.05044	0.6
85.02962	7.6
87.00883	8.0
89.02454	30.0
90.02796	0.4
91.04018	0.7
91.28455	0.3
93.03465	0.4
95.01406	2.5
97.02403	0.6
97.02962	5.5
99.00888	1.7
101.02455	28.4
103.00369	0.4
103.03927	0.4
106.63285	0.3
109.02928	0.8
111.00917	0.7
111.04522	1.5
112.90756	0.3
113.02460	13.5
115.04069	0.7
119.03516	8.6
119.05001	3.4
121.02994	0.7
123.04527	0.6
124.01665	0.7
125.02461	11.6
127.04008	0.5
131.03506	1.5
133.05069	1.1
139.04022	1.2
141.01973	0.6
143.03516	5.5
149.04556	1.0
152.99529	0.6
161.04581	5.8
163.04033	3.1
167.03513	0.4
169.05043	0.4
171.02982	0.7
178.15613	0.3
179.03445	0.5
179.03983	0.6
179.05609	5.8
180.05978	0.3
185.04596	0.7
191.42789	0.3
199.05966	0.3
203.05621	0.7
217.07143	0.7
221.06696	2.2
235.08205	14.0
236.08585	0.8
239.31624	0.3
245.06615	0.5
253.09293	3.3
261.22275	0.5
263.07675	1.2
263.82196	0.3
277.09290	1.2
279.23276	100.0
280.23618	10.0
287.07672	2.8
288.08096	0.4
293.24924	0.3
305.08817	4.8
323.09799	1.7
339.42194	0.3
356.24039	0.3
361.11194	0.3
379.12454	1.1
385.62711	0.4
397.13510	86.2
398.13812	8.6
415.14566	32.3
415.20395	0.7
416.15005	3.2
556.61615	0.3
595.28412	0.7
622.75262	0.3
677.38110	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98959	0.3
55.01876	0.4
57.03432	0.7
58.00591	0.3
59.01380	9.2
59.78483	0.3
61.95222	0.3
61.98825	1.2
69.03445	0.4
69.51987	2.8
69.83421	0.3
71.01388	12.5
72.99297	0.7
73.02952	3.9
74.86741	0.2
78.98598	0.3
79.95703	0.6
80.96532	3.3
83.01399	2.2
85.02962	5.0
87.00915	0.7
89.02459	4.7
94.98080	0.8
95.01402	0.7
96.96002	0.5
97.02927	0.6
99.00912	1.5
101.02458	8.7
103.03999	0.6
113.02464	3.8
113.92659	0.6
114.93420	0.6
116.92910	1.6
120.40405	0.3
122.97654	0.3
125.02466	1.8
131.03520	1.1
134.97563	0.5
143.03497	1.0
149.04552	1.3
152.98657	0.4
159.02968	0.8
161.04561	4.7
164.98659	0.7
199.55672	0.3
205.07205	2.5
223.08238	13.9
224.08670	0.6
225.00745	1.1
233.06676	0.6
259.20706	0.3
277.21725	100.0
278.22067	10.2
293.08838	1.6
337.11459	4.0
338.11661	0.4
355.12479	10.7
356.12817	1.2
397.13489	0.3
400.44870	0.3
483.29675	1.1
577.26874	6.2
578.27417	1.1
596.31854	0.3
615.33875	3.6
616.34351	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.6
56.44812	0.7
57.03447	3.9
59.01379	21.4
61.98825	5.3
64.10337	0.7
67.01913	1.3
68.99845	2.3
69.03495	2.5
69.68132	3.4
69.68549	1.8
71.01387	23.8
71.01757	1.3
72.99321	5.3
73.02978	3.1
75.00877	19.0
79.95769	1.4
81.03479	0.8
83.01431	2.1
83.05053	1.3
84.02194	0.8
85.02957	21.1
85.79400	0.7
87.00877	8.7
88.98841	0.9
89.02467	6.0
90.78384	0.7
93.03499	1.6
93.53613	0.7
95.01401	5.5
95.95271	0.7
96.96027	10.0
96.96588	0.7
97.02996	1.4
98.03733	0.6
99.00896	30.6
99.04532	13.1
100.01253	0.8
100.21381	0.7
101.02503	3.1
103.00405	1.7
109.03003	1.9
109.06622	0.7
111.00911	3.8
111.04555	1.4
113.02464	18.2
115.00374	3.2
116.92886	0.8
117.01978	2.5
119.03557	1.4
121.02995	0.7
124.04092	0.9
125.02431	0.8
129.02023	2.2
135.08191	2.0
137.09625	0.7
138.05644	1.0
139.00449	1.5
141.02042	0.8
149.06149	0.9
151.47507	0.7
153.01982	1.3
157.01466	4.2
175.02521	2.0
185.13446	0.9
203.14442	8.1
204.14771	0.9
205.35619	0.7
212.43808	0.6
218.61864	0.7
221.08244	1.6
221.15471	44.3
222.15883	3.0
231.05125	1.7
245.12093	0.7
247.13420	1.5
249.06160	13.1
249.08527	1.1
250.06610	0.8
265.14462	10.2
267.07224	3.6
301.05530	0.7
301.44144	0.7
309.66739	0.8
339.18164	2.8
350.08987	1.1
449.27856	0.9
453.21249	6.0
454.22205	0.7
485.24005	3.0
497.20264	42.9
498.20563	6.7
515.21313	100.0
516.21692	14.5
539.21307	0.9
557.22437	5.9
633.27350	2.3
645.25531	2.1
677.26843	53.4
678.27338	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	675.3619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.6
57.03445	1.4
58.00597	2.4
59.01381	48.1
59.98503	0.1
60.01721	0.7
61.98824	0.6
65.63113	0.1
67.01877	0.2
68.99816	0.5
69.03458	2.5
70.64790	0.4
71.01387	46.1
72.01727	0.7
72.99313	3.4
73.02954	7.9
75.00880	0.8
78.95896	0.3
81.03473	2.0
83.01398	5.4
83.05032	0.6
85.02960	9.0
86.00106	0.5
86.03291	0.1
87.00887	10.0
87.04525	0.4
89.02455	37.6
90.02792	0.4
91.04012	1.0
93.03466	0.5
95.01403	3.0
95.05031	0.3
97.02966	7.5
97.06579	0.2
98.03275	0.2
99.00901	2.7
99.04545	0.6
101.02458	37.8
102.02792	0.6
103.00365	0.3
103.04044	0.6
107.03545	0.1
107.05044	0.2
109.02971	1.0
109.06605	0.1
111.00929	0.8
111.04539	1.3
111.79636	0.1
112.01651	0.2
113.02467	18.2
114.02795	0.5
115.04005	1.0
119.03520	10.4
120.03840	0.3
121.02204	0.1
121.02965	0.7
123.00878	0.4
123.04534	0.5
124.01682	0.4
125.02466	15.4
126.02799	0.5
127.03993	0.6
127.07674	0.4
129.01936	0.3
131.03535	2.0
133.05098	1.1
135.04521	0.1
137.02475	0.6
139.00471	0.1
139.03995	1.0
141.01949	0.8
141.05576	0.2
142.02759	0.1
143.03522	7.2
149.02489	0.3
149.04549	1.3
149.06328	0.1
151.04021	0.2
152.99568	0.3
153.05669	0.2
155.03511	0.1
157.05070	0.3
159.02922	0.2
161.04579	7.6
162.04912	0.3
163.04082	0.2
167.03552	1.0
169.05037	0.6
171.03015	0.4
179.05630	7.7
180.06047	0.3
185.04536	0.7
199.06155	0.6
203.05626	0.4
209.04637	0.2
217.07204	1.1
219.05064	0.5
221.06680	3.2
222.07047	0.2
233.06651	0.2
233.22696	0.4
235.08228	16.2
236.08496	0.9
240.37358	0.1
245.06650	0.9
253.09267	3.8
254.09712	0.2
259.20496	0.6
263.07700	1.6
275.20160	0.4
277.09595	1.3
277.21716	100.0
278.22064	10.6
287.07736	3.7
288.08194	0.3
291.23190	0.4
305.08795	4.8
306.09000	0.3
319.22739	0.2
323.09824	1.9
361.11566	0.7
379.12531	1.2
397.13522	94.0
398.13834	8.4
415.14575	38.3
416.14929	3.1
545.11493	0.1
593.27185	0.2
675.35968	0.2
678.98071	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	675.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02975	6.5
59.01372	2.8
61.98835	0.3
63.94490	0.4
69.03470	0.4
70.02981	6.3
71.01385	1.5
72.00900	1.5
72.04546	1.4
72.99315	0.4
74.02477	38.4
75.00862	0.4
75.02822	0.4
79.95729	0.7
84.01019	0.4
85.02977	2.7
87.00901	1.0
96.96014	5.3
98.02491	7.3
98.20671	0.7
102.98610	0.8
106.76262	0.4
113.02473	0.8
116.03563	10.7
116.05072	12.7
117.05434	0.8
120.99670	5.2
130.06638	1.5
142.06654	2.6
147.03003	0.4
157.01367	0.4
159.09297	3.4
175.02541	0.4
183.09251	0.8
191.02007	1.2
193.01723	0.3
201.10336	2.8
203.08272	35.6
204.08614	2.4
209.01279	6.9
209.03145	0.9
229.59647	0.5
241.00194	0.4
242.50528	0.4
245.09302	100.0
246.09666	7.0
259.02844	0.5
267.07333	0.5
289.08319	0.8
314.67798	0.4
379.81482	0.3
385.06265	0.9
386.06583	0.4
595.17450	0.4
636.91760	0.4
675.12921	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	675.3618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.3
57.03448	1.4
58.00595	3.1
59.01380	49.2
60.01717	0.6
61.98834	0.4
65.44036	0.2
68.99807	0.3
69.03455	2.4
71.01385	39.8
71.16550	0.2
72.01717	0.5
72.99308	2.9
73.02950	7.4
75.00889	0.9
81.03470	2.1
83.01386	5.2
83.05044	0.4
85.02959	9.1
86.00109	0.4
87.00881	10.1
89.02453	37.2
90.02798	0.5
91.04039	0.6
93.03479	0.5
95.01411	2.2
97.02959	6.9
99.00879	3.0
99.04532	0.5
101.02454	32.8
102.02803	0.8
103.00401	0.4
109.02975	0.7
111.00883	0.7
111.04539	1.2
112.01660	0.4
113.02464	16.9
114.02779	0.4
115.04031	0.7
118.44946	0.3
119.02661	0.5
119.03519	10.1
121.02959	0.6
123.00915	0.3
123.04527	0.4
124.01649	0.3
125.02461	13.9
126.02782	0.5
127.04016	0.6
127.84038	0.2
131.03517	1.7
133.05121	1.2
137.02463	0.4
139.04030	1.2
141.01952	0.8
143.03520	6.6
149.02477	0.4
149.04576	1.0
151.04007	0.3
157.05090	0.3
161.04579	7.8
167.03510	0.7
169.05049	0.5
171.02969	0.5
179.04080	0.5
179.05629	7.1
180.05951	0.3
185.04510	0.6
199.06172	0.6
203.05537	0.5
217.07083	1.2
219.05009	0.6
221.06694	2.7
233.22681	0.4
235.08226	15.5
236.08562	0.5
245.06631	1.2
253.09297	3.8
259.20709	0.5
263.07593	1.7
275.20166	0.5
277.09280	1.1
277.21713	100.0
278.22073	9.5
287.07727	4.1
291.23132	0.4
305.08777	5.2
306.09131	0.4
323.09753	2.1
361.11279	0.9
379.12476	1.0
384.27463	0.3
397.13513	99.5
398.13821	8.3
415.14566	38.4
416.14969	3.5
686.84906	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95327	0.8
55.01875	0.8
57.03445	2.0
59.01378	16.3
60.68059	0.8
61.98827	6.6
63.27317	0.9
66.34322	0.8
69.03452	1.7
69.98824	2.9
69.99231	1.7
71.01378	9.2
72.99319	1.6
73.02940	2.3
75.00865	1.1
79.19958	0.8
83.01379	1.3
83.05045	2.0
85.02942	4.1
87.00880	1.1
89.02472	3.2
96.96009	2.7
98.20554	1.0
99.00877	0.9
101.02458	5.2
107.07411	0.9
109.02906	1.0
109.06595	2.0
111.08179	1.2
113.02428	4.2
119.03525	1.2
126.19505	0.8
139.28087	0.8
145.05113	1.3
152.62296	0.9
161.04553	2.1
163.11266	1.5
165.12895	12.1
171.10240	0.8
173.63234	0.8
183.13922	100.0
184.14259	6.6
199.09760	2.9
199.13376	1.0
201.11458	1.0
207.10272	4.2
209.11819	6.7
211.13416	17.7
212.13773	1.8
225.11305	2.7
227.12909	7.9
235.08226	2.4
248.37598	0.9
253.09381	4.5
267.07217	1.4
267.48077	0.8
308.25528	0.9
445.20581	1.5
463.21722	4.0
464.22342	1.1
511.29114	1.0
606.07483	0.9
611.18030	1.2
611.30896	1.4
629.35846	4.4
637.32062	2.4
655.33258	6.2
673.34583	74.5
674.35089	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	669.415
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	8.3
59.28178	2.5
61.98831	100.0
70.59719	7.8
78.95910	13.9
86.45597	2.6
121.86510	2.5
126.85653	2.6
152.99570	10.1
171.10274	7.3
172.10596	2.7
255.23375	12.0
277.21631	12.3
278.22037	5.3
370.95764	2.9
391.22620	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	671.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79633	0.1
59.01383	1.0
63.80070	0.1
70.61879	0.6
70.62234	0.2
71.01384	0.8
73.02938	0.3
79.95741	0.9
80.96516	0.8
83.01405	0.3
85.02947	2.0
91.44833	0.2
96.96019	37.6
101.02442	1.1
111.00885	0.3
113.02460	0.4
122.97581	0.5
134.64351	0.2
138.62346	0.2
138.97055	0.8
140.18913	0.2
150.97067	0.6
164.98676	0.3
180.98138	0.7
191.01999	0.4
198.99187	0.2
209.02940	0.4
241.00235	2.0
285.00784	0.2
315.07538	100.0
316.07861	6.5
316.11539	0.4
331.97647	0.2
359.10172	0.7
501.30667	0.2
589.68665	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.3
59.01370	5.2
61.98618	0.5
61.98839	4.6
65.00330	1.4
71.01389	1.9
71.73495	0.7
73.02959	0.6
74.02477	1.3
78.39234	0.6
79.95734	1.5
85.02959	5.4
87.00929	0.6
87.86667	0.6
89.02441	0.7
93.49493	0.7
95.95240	1.5
96.96023	8.0
107.01395	2.4
108.02197	1.5
109.02987	0.8
110.96039	0.6
113.02470	1.3
119.05101	0.6
121.02962	2.1
127.04645	0.6
129.01973	1.0
150.97064	0.6
151.00380	9.6
163.00385	2.4
163.04031	1.1
169.01480	1.1
173.00949	0.6
178.99854	5.0
181.08713	2.0
191.00060	0.6
191.01965	1.9
203.08308	0.9
211.03920	0.7
227.03436	1.7
229.04865	0.9
237.19576	0.6
241.00165	1.0
243.02957	6.2
244.03331	0.8
245.04512	0.9
245.09218	3.1
246.09602	0.8
254.02180	2.1
255.02966	19.1
256.03522	1.6
271.02451	41.4
272.02814	4.3
273.03903	0.8
283.02563	1.0
299.01843	1.2
300.02753	80.7
301.03436	36.9
302.03873	2.2
316.19601	0.6
447.09320	6.6
448.09491	1.1
463.08615	0.8
510.17831	0.8
539.22217	0.9
609.14752	100.0
610.15039	18.7
672.21405	3.4
673.22253	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	668.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21339	0.2
59.01373	0.9
61.98830	100.0
67.53889	0.2
76.11059	0.2
78.95914	0.2
102.00695	0.2
104.34737	0.2
135.86208	0.2
143.99158	0.2
152.99615	0.4
171.10278	2.3
172.10597	0.5
228.75391	0.2
277.21716	1.5
278.22128	0.5
281.21371	0.2
457.34619	0.2
529.22662	0.9
530.22998	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	669.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.3
58.00596	0.5
59.01090	1.0
59.01378	14.9
61.98824	0.8
62.50958	0.5
67.01894	1.5
68.99816	1.8
69.03463	0.8
70.57814	0.6
71.01378	14.6
71.72777	1.0
72.99306	4.8
73.02943	3.2
75.00870	10.8
79.95715	3.0
81.03461	0.6
83.01385	1.8
83.05011	0.7
85.02956	16.2
87.00886	5.1
89.02455	3.1
91.04048	1.2
93.03450	3.0
95.01380	3.5
95.95235	0.8
96.96021	25.5
99.00896	7.1
101.02473	1.3
103.00386	3.8
108.02152	0.7
109.02935	1.6
109.86208	0.5
111.00863	1.2
113.02467	11.8
113.06153	0.6
115.00384	2.2
116.92869	1.4
117.01936	1.2
121.03011	3.3
121.75045	0.5
122.03741	4.0
123.04498	1.8
129.01923	2.3
131.03529	0.8
131.07166	0.8
135.04483	1.3
136.01607	0.7
137.02473	1.3
139.00354	0.6
146.03754	1.0
147.04433	0.7
149.01276	1.1
149.02457	19.3
150.03242	31.4
151.04056	5.2
152.01152	1.3
153.01868	0.7
157.01437	0.9
161.06160	0.7
163.04004	3.5
164.04808	13.0
164.98625	1.3
165.05583	26.4
169.05081	0.9
173.08179	1.0
175.00374	1.5
175.02487	2.0
176.01131	0.8
177.05527	1.5
178.06403	1.8
179.03587	0.7
179.07156	5.7
180.04254	2.2
181.05035	2.7
190.02669	3.1
191.01988	0.9
191.03487	2.4
193.01396	2.7
194.05643	0.6
195.06659	5.9
205.05040	3.9
207.02983	1.3
208.03749	4.7
209.04544	2.1
223.06123	11.5
231.05008	1.7
241.00194	1.2
249.06113	18.3
265.07117	0.7
267.07407	2.9
283.08078	1.3
297.09790	2.3
311.07654	0.9
325.09283	0.8
371.11322	1.3
411.12924	2.3
419.13550	1.2
421.18738	3.6
431.11157	1.3
435.17300	0.7
455.11746	1.1
471.11121	1.1
472.12350	5.1
473.12949	5.1
475.02054	0.7
477.17950	0.7
487.14737	1.4
493.17599	3.5
507.15872	0.8
519.10846	0.6
522.15228	0.7
535.18219	1.4
565.19220	0.8
579.16681	1.0
583.20587	12.0
584.20905	2.2
625.21710	9.4
626.22137	1.3
651.19440	3.6
669.20428	100.0
670.20679	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57735	0.6
53.35275	0.6
55.01874	1.3
57.03446	1.6
58.00587	0.7
59.01383	17.5
61.98831	9.1
64.14943	0.6
67.84123	0.7
69.03423	0.6
71.01394	11.3
71.73019	1.0
72.99312	1.1
73.02966	3.1
75.00871	1.0
78.95938	0.7
79.95742	5.0
80.05370	0.7
80.96526	2.2
83.01389	1.8
85.02959	7.3
87.00874	1.9
89.02453	3.7
95.01380	0.7
95.95267	1.7
95.97638	0.8
96.96027	68.4
97.02927	0.7
98.95625	1.2
99.00896	1.2
101.02449	5.8
111.00919	1.0
113.02462	3.4
119.03503	0.9
119.04958	0.6
125.09726	2.5
128.07220	4.4
129.01932	0.9
138.97067	2.8
145.09848	14.7
146.87572	0.7
149.04504	0.7
149.05878	0.6
151.00381	0.8
161.04489	0.8
168.00642	0.9
191.02046	1.2
209.11909	1.4
241.00264	3.7
256.42340	0.7
256.99847	0.8
258.51587	0.7
267.07101	0.8
301.61316	0.8
405.31107	1.6
423.32294	6.8
424.32794	1.2
457.28699	0.7
489.27100	1.9
567.36792	2.2
568.35291	1.5
579.25366	1.0
585.37573	30.5
586.38098	6.8
604.31909	1.2
620.31244	6.5
621.33887	1.2
633.31384	2.1
648.31268	1.4
665.33423	100.0
666.33881	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	666.3354
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53165	0.2
52.94345	0.2
53.98964	0.2
56.28392	0.2
57.99168	0.2
59.01387	0.5
61.09603	0.2
61.98830	100.0
63.65199	0.2
69.47662	1.1
69.48081	0.9
84.75439	0.2
91.02847	0.2
138.30516	0.2
177.82738	0.2
216.28809	0.2
221.03305	0.3
325.67435	0.2
459.05237	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82783	0.4
55.01873	1.9
57.03185	0.7
57.03452	12.8
58.00579	0.5
59.01377	5.5
68.99820	0.9
71.01381	3.9
71.71690	0.5
72.99314	1.8
74.60433	0.5
75.00877	0.9
83.01385	2.9
84.02171	2.7
85.02960	100.0
86.03287	2.3
87.00890	1.9
89.02462	1.0
96.96012	1.3
99.00899	0.6
101.02434	1.2
103.00380	1.9
111.00918	4.1
115.00387	1.1
115.68379	0.5
119.05063	3.5
129.01965	9.5
130.74977	0.4
131.94028	0.4
133.01456	1.9
139.46324	0.4
143.89391	0.4
147.01852	0.9
147.03020	15.4
161.96104	0.5
163.02721	0.6
163.03967	2.5
173.00891	2.8
191.01996	57.0
192.02356	2.0
195.13959	1.9
195.66119	0.4
209.03050	35.1
210.03458	1.3
223.04430	0.5
249.76118	0.4
250.06157	0.4
295.31427	0.5
337.05591	1.9
355.06714	32.0
356.06985	2.8
375.51309	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.6
56.45089	0.5
57.03449	1.3
59.01379	12.3
61.98831	3.3
65.99880	0.6
69.03464	0.7
70.11669	3.0
71.01388	6.3
72.99310	0.7
73.02959	1.6
75.00866	1.1
78.95916	0.7
79.95745	7.4
80.03494	0.5
80.96558	0.7
82.02991	1.2
83.01415	0.8
83.05092	0.5
85.02951	6.8
86.03279	0.5
87.00895	1.1
88.98820	0.6
89.02453	2.1
94.02993	13.4
94.06634	0.7
94.75641	0.4
95.03824	0.6
95.95240	0.8
96.04552	0.5
96.96021	100.0
97.02946	0.5
98.20592	0.6
98.95583	0.8
99.00913	1.4
101.02447	2.8
106.06611	0.6
108.04562	2.2
108.08192	0.8
109.02935	0.7
110.97649	0.8
111.00904	0.5
113.02455	2.5
116.40894	0.4
116.92872	0.7
120.01259	1.0
120.08224	1.0
121.02961	0.6
121.05376	0.6
122.03794	0.7
122.06133	0.8
123.04542	0.9
124.04025	0.7
124.07690	1.8
134.03714	0.7
134.06131	4.3
135.04518	0.9
136.03979	0.6
136.07681	3.8
138.05644	3.6
144.04558	0.6
146.06110	1.5
147.03062	1.0
148.01669	0.7
148.07651	1.3
149.04572	0.7
149.06090	0.6
150.03195	1.1
152.07184	2.3
153.05606	1.3
159.06912	0.7
160.04034	0.8
161.04677	2.5
162.05594	1.2
163.04091	1.2
165.05574	0.7
166.02654	0.6
167.03384	0.6
171.10249	0.5
173.05005	0.5
174.05580	2.1
179.03586	0.6
180.06686	10.7
181.05054	2.3
185.09431	0.5
187.11253	0.7
188.07191	6.2
188.89964	0.6
191.01955	2.1
191.03514	0.7
203.05829	0.8
210.07986	0.5
211.06158	4.0
215.11900	1.4
217.13402	1.9
223.08928	0.6
224.09575	1.5
224.60306	0.6
225.10199	1.0
226.10973	0.5
229.09947	0.7
237.10329	2.1
238.07373	1.7
238.10979	0.9
239.08344	0.8
239.09438	0.6
239.11783	5.3
240.12428	1.1
241.00334	0.6
241.13452	1.5
249.10316	0.8
251.08147	2.5
251.11899	1.8
252.08905	1.2
253.09575	0.6
263.11877	1.8
264.08786	1.6
265.09827	6.0
266.10516	1.8
267.07178	0.7
267.11359	14.2
268.11771	1.7
275.08063	0.6
278.10278	0.8
279.07654	1.5
279.11374	3.5
280.12125	2.8
283.10968	0.8
285.07660	0.6
285.12430	1.6
289.09818	1.0
290.10504	1.0
291.11441	2.4
292.08459	1.5
292.11658	0.7
293.09280	6.8
294.09637	1.2
295.10767	0.9
296.11679	0.9
297.12378	0.7
298.09265	0.7
300.10980	1.5
301.11725	0.6
307.10919	9.1
308.11652	26.8
309.12024	3.7
311.10327	2.1
312.11142	1.0
313.07135	1.7
313.10953	1.9
316.69107	0.5
319.12994	0.9
320.13440	0.5
328.09515	5.3
335.12527	0.8
336.13205	1.0
337.12982	1.4
339.25198	0.8
340.10629	13.8
341.11063	1.5
343.11841	5.0
344.12628	0.6
351.09793	1.2
352.10590	1.1
358.14255	8.0
359.14697	1.1
362.18686	0.7
364.20148	1.0
371.24319	0.9
388.20471	0.6
390.18143	1.4
391.18954	2.8
392.19601	0.6
408.18939	1.2
430.17554	0.7
432.19312	30.6
433.19641	4.6
434.17068	0.9
435.18201	1.0
436.18320	0.8
458.17273	1.0
459.17831	0.7
468.10883	1.5
469.11093	0.6
476.18259	51.1
477.18689	9.1
479.21246	1.1
480.21298	0.5
508.20874	69.1
509.14053	0.8
509.21204	11.7
531.21735	0.5
533.29773	4.3
534.29645	1.0
547.25269	2.0
571.25610	0.6
573.23853	1.0
589.26300	1.1
591.24646	7.4
592.24902	1.4
615.24445	1.5
621.35046	1.2
633.25244	3.4
647.27374	0.7
665.18903	38.0
665.28363	3.1
666.19202	9.0
666.36035	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01348	5.6
69.69265	2.3
70.98822	3.0
70.99156	5.2
80.93721	2.7
82.02983	6.2
85.02956	3.1
94.02988	82.4
95.03284	2.7
95.05071	2.8
96.04559	4.5
96.95991	5.7
105.05827	4.4
108.04581	5.8
110.06112	11.4
120.07381	4.6
120.08197	60.6
121.05364	3.4
121.08574	2.5
122.06129	21.3
134.06094	2.8
136.04021	3.0
137.04845	4.0
138.05629	26.3
144.04538	7.1
150.05548	4.1
152.07173	3.8
160.04031	3.3
164.07129	7.8
172.20984	2.4
174.05589	6.7
203.05846	9.2
223.08762	4.9
236.09549	7.7
237.10213	7.3
239.11977	3.7
250.07463	2.5
250.10980	4.8
251.11877	34.5
252.12337	4.7
261.12411	5.2
263.08243	5.0
263.11813	8.1
264.08966	6.5
264.12488	2.5
265.09714	4.4
265.13364	7.7
266.10510	2.7
268.08466	2.8
276.09058	10.9
277.09781	43.5
278.10516	18.5
279.11288	6.8
281.09351	3.1
283.10864	3.1
291.11346	44.5
292.12128	54.2
293.12881	50.5
294.13501	7.2
295.10626	3.6
303.13409	5.2
313.11789	3.8
318.76459	2.7
324.11111	7.4
325.11914	4.0
327.13559	5.4
335.10321	13.9
336.11102	21.6
337.11877	16.4
343.13031	5.4
346.15372	3.8
360.17047	10.1
372.17123	11.2
373.17880	2.7
374.14673	4.5
374.18848	5.9
388.16254	3.8
390.18182	5.1
400.16611	3.1
402.18137	6.0
406.17426	3.0
414.18158	15.6
415.19000	4.9
417.15555	6.8
418.17645	10.7
432.19461	17.7
433.19440	3.9
446.17181	2.7
458.16949	3.1
459.17972	9.6
476.18173	27.3
477.18915	21.8
478.19785	3.9
490.19775	7.8
491.20264	2.8
508.20871	100.0
509.21042	16.3
529.24823	6.3
536.27747	2.7
553.96271	2.9
555.22333	3.8
571.25348	6.4
573.23615	33.8
574.24231	5.6
575.24933	3.7
587.25214	10.0
589.26483	4.8
597.23853	4.9
603.25000	3.2
605.26172	98.8
606.26532	21.2
615.24762	39.4
616.24854	9.1
629.26678	6.6
633.25726	72.2
634.26001	18.7
647.27307	50.2
648.27466	9.7
665.28436	80.6
666.28888	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.1
59.01374	25.0
59.22940	1.7
68.99816	2.3
69.03467	1.9
69.62287	12.2
71.01388	15.8
72.99314	5.1
73.02948	3.6
75.00864	7.8
78.95895	3.5
79.95747	5.0
80.90209	1.8
82.02979	5.6
83.01402	2.7
83.05043	2.7
85.02950	18.5
87.00877	8.0
89.02457	3.9
93.03471	3.1
94.02995	78.5
95.01370	2.4
95.05040	2.0
96.04578	4.8
96.96021	38.2
98.19880	3.5
99.00904	4.6
103.00414	3.2
106.06670	2.1
108.04555	5.6
110.06139	13.9
113.02470	13.0
115.00370	6.5
120.01271	2.1
120.07378	2.9
120.08202	37.6
121.05338	4.4
122.06146	25.9
129.01961	2.1
136.04037	2.0
137.02502	3.0
137.04865	2.7
138.05621	36.4
144.04561	4.4
147.03035	2.4
150.05600	3.9
154.99872	2.6
156.06606	2.3
158.97243	1.7
160.04092	10.1
160.25591	1.6
161.04527	3.2
162.05556	2.4
164.07118	2.9
165.04034	3.5
169.01349	2.0
174.05640	7.4
175.02571	3.9
191.01891	3.0
199.08798	2.2
203.05864	6.6
215.11920	5.5
223.08727	5.9
225.10368	2.0
227.11971	1.9
236.09489	8.4
237.10286	13.0
238.11067	3.6
239.11832	3.8
249.06181	7.8
249.10324	3.8
249.13988	2.9
250.07494	3.2
250.11018	4.2
251.11902	67.9
252.12442	11.6
253.09828	3.4
263.08331	5.2
263.11877	5.4
264.08920	8.8
265.09811	3.1
265.13422	9.9
266.10571	6.0
267.07214	14.8
268.08392	6.1
269.09238	5.3
271.10703	2.4
276.08966	5.3
277.09833	27.1
278.10461	13.0
279.11249	10.0
281.09265	2.3
282.10031	4.6
283.10950	4.5
291.11392	26.9
292.12143	36.9
293.09772	3.0
293.12927	38.4
294.13412	5.4
295.10739	4.5
295.14001	2.0
296.11688	2.7
300.02585	3.0
303.13739	2.2
319.10712	2.4
324.11172	9.2
330.16010	2.3
335.10410	7.4
336.11188	10.5
337.11777	10.5
343.13016	5.5
346.15506	5.7
347.15878	2.4
359.16486	2.2
360.17059	12.8
361.17804	2.4
372.17188	19.6
373.17728	6.0
374.14517	2.3
374.18637	10.2
386.14682	2.6
388.16519	6.0
389.17355	2.3
390.18265	20.7
391.18600	7.3
402.18234	6.8
404.15903	2.4
406.17664	7.5
414.18192	13.9
415.18930	6.5
418.17807	22.0
419.18164	4.0
432.19556	13.4
433.07306	3.0
433.19775	2.2
434.08215	2.7
434.17035	2.5
436.18881	19.6
437.18823	3.2
447.17438	2.2
458.17300	4.2
459.18002	5.9
469.22836	2.5
476.18369	16.0
477.18948	11.4
478.19714	5.4
490.19919	6.6
496.20807	3.5
497.21246	2.7
508.20920	55.8
509.21167	8.6
511.23529	6.0
517.19147	24.0
518.19659	2.4
529.24481	11.2
533.12885	2.5
533.23322	2.6
547.25665	3.6
555.22614	5.5
561.27924	2.0
571.25671	5.1
573.23419	19.3
574.23743	5.6
575.25238	2.2
587.25171	11.6
588.25684	2.8
589.26245	2.2
597.23047	3.1
598.23267	2.4
605.26178	100.0
606.26550	21.1
615.24487	20.0
616.24780	3.2
617.26715	3.2
629.26471	10.6
630.26202	2.6
633.25781	28.5
634.25513	5.5
635.26947	3.3
647.27435	62.8
648.27417	13.4
665.29108	87.4
666.28961	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	665.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	4.8
57.03447	5.5
59.01379	36.5
61.98812	1.0
67.01868	0.9
68.99812	1.4
69.03426	1.4
71.01382	29.1
71.73109	0.8
72.99313	5.8
73.02936	3.4
75.00877	25.5
79.95735	1.6
83.01379	2.6
83.05033	1.5
85.02959	30.8
86.03266	0.9
87.00387	1.3
87.00890	14.1
89.02464	9.3
91.03990	1.1
93.03433	0.9
95.01396	5.7
96.96025	9.7
97.02951	1.0
99.00905	10.8
99.04517	1.5
101.02466	4.8
103.00378	3.7
105.01921	1.1
107.05036	1.7
108.65904	0.8
109.02947	0.9
111.00883	1.7
113.02464	38.0
114.02744	0.9
115.00386	3.6
117.01944	2.1
118.89237	0.8
120.01208	0.9
129.01952	5.6
131.03470	1.4
135.04485	1.0
135.11842	1.8
147.02985	2.7
149.04539	1.4
149.06087	0.7
151.00410	0.9
157.01466	1.9
160.04031	1.3
161.09715	3.5
161.13350	2.8
163.11343	2.9
165.04045	9.5
165.22404	0.7
167.33199	0.9
173.77753	0.8
175.02512	4.3
175.03824	0.7
175.39667	0.7
176.07066	0.7
179.10773	1.7
187.11273	3.7
189.09184	1.7
191.01971	2.0
195.06648	1.3
205.07184	1.2
205.12387	1.9
207.05103	2.7
207.10307	2.4
221.00172	0.8
223.13385	2.2
231.04994	1.5
249.03493	0.9
249.06100	17.1
255.10347	1.1
267.07193	54.4
268.07394	2.6
396.18393	1.0
457.16953	1.8
473.16266	1.2
484.15009	0.9
499.18628	1.8
517.19226	100.0
518.19641	15.3
605.18860	1.1
625.06360	0.9
647.22125	3.5
665.23016	90.2
666.23529	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	665.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.0
59.01380	7.7
61.98833	3.7
69.03445	0.9
69.67913	4.2
69.68332	2.4
71.01373	4.3
73.02955	1.7
75.00872	1.0
78.95933	1.2
79.95739	2.0
85.02979	5.3
89.02459	1.9
93.03464	1.2
94.02991	2.7
96.96023	15.1
101.02450	1.9
109.02956	1.8
113.02449	2.2
119.05061	1.0
120.08205	2.3
123.00919	1.1
129.01917	1.0
131.03555	0.9
137.02464	8.3
138.05624	2.7
139.04045	1.0
145.02975	1.7
149.02478	1.8
151.00400	16.4
151.03998	1.3
152.01138	1.0
152.04832	2.4
154.99742	1.0
159.04459	0.8
161.02563	0.9
163.04065	1.4
166.02731	52.1
167.03404	2.5
175.03995	2.1
177.01964	3.0
179.03558	0.9
181.05080	70.2
182.05402	3.3
184.03738	1.3
191.01952	1.6
193.05125	1.3
205.05086	1.3
205.08682	1.4
207.06732	1.5
209.19780	0.9
249.06248	0.8
251.11963	1.9
258.09406	2.1
258.59256	1.1
259.09760	3.1
267.07159	1.7
277.09808	1.4
291.11511	1.7
292.12012	1.0
293.12830	1.7
331.38470	0.8
359.11401	1.7
387.10754	12.6
402.13449	6.3
417.15543	100.0
418.15857	11.9
508.20987	3.2
533.22095	2.0
567.17987	1.0
573.23401	1.3
579.21533	1.4
589.26306	1.2
605.26190	3.5
615.24396	1.3
622.11725	1.1
633.25909	2.6
647.26660	2.4
665.19360	3.6
665.29327	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	665.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01906	0.2
57.03450	0.4
59.01382	2.8
61.98841	1.1
64.14803	0.2
66.85388	0.2
69.03471	0.3
70.42793	0.7
71.01375	1.3
72.99316	0.2
73.02951	0.6
75.00880	0.4
75.30089	0.2
76.77487	0.2
78.95925	0.2
79.95744	7.0
80.96548	0.3
83.01397	0.4
85.02956	1.5
87.00904	0.3
89.02444	0.5
94.02990	0.6
95.95258	0.5
96.96022	100.0
97.02940	0.2
97.95953	0.6
99.00912	0.3
101.02454	0.5
110.06282	0.2
110.97581	0.6
113.02451	0.7
114.29515	0.2
116.92837	0.2
122.06174	0.2
123.04571	0.2
123.87865	0.2
127.05153	0.4
136.07671	0.2
137.59703	0.2
138.05643	0.2
147.02989	0.2
148.01631	0.2
149.02399	0.2
149.06186	0.2
150.03226	0.5
151.00327	0.2
153.05598	0.2
163.04036	0.3
165.05553	0.5
166.02713	0.5
167.03413	0.2
172.10922	0.2
180.06668	0.4
181.05029	1.3
185.11783	0.2
188.07132	0.3
191.02019	0.5
193.05098	0.2
211.06126	0.5
217.13470	0.2
237.10327	0.2
239.11856	0.2
261.12445	0.2
265.09830	0.3
267.11377	0.6
283.05859	0.3
285.07706	0.5
293.09277	0.2
296.06766	0.3
298.08493	0.5
306.53751	0.2
307.10907	0.4
308.11624	0.8
311.09424	0.3
312.10089	0.3
313.07141	2.0
313.10822	1.6
314.07755	0.3
314.11166	0.2
325.10736	0.2
328.09528	5.5
328.13483	0.3
329.09821	0.7
340.10718	0.4
343.11856	5.1
344.12225	0.6
358.14218	9.0
359.14368	1.3
432.19388	1.0
453.08575	0.7
468.11057	1.7
469.11307	0.3
476.18283	1.9
477.19104	0.4
479.21375	0.3
481.11465	0.4
486.04437	0.2
508.20953	3.0
509.21152	0.4
533.29272	0.9
554.36847	0.2
571.24615	0.2
589.26300	0.2
591.24084	0.2
615.24304	0.2
621.34369	0.3
622.25519	0.2
633.25488	0.4
664.28577	0.3
665.19122	44.8
665.28259	2.0
666.19299	9.7
666.28827	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61840	0.1
59.01373	0.2
61.98830	100.0
62.98542	0.2
71.01402	0.2
71.21268	0.2
79.23203	0.1
87.00886	0.1
101.02439	0.1
113.02500	0.1
130.27873	0.1
168.50745	0.1
211.18350	0.1
277.21851	0.1
278.22046	0.1
284.19745	0.1
325.10324	0.1
429.59421	0.1
505.82538	0.1
579.27051	0.4
592.29358	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	665.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15430	0.2
59.01380	1.4
69.37988	2.6
71.01381	0.5
72.99329	0.2
73.02950	0.3
79.95272	0.4
79.95745	6.8
85.02939	0.6
86.64624	0.2
89.84048	0.2
90.58614	0.2
92.97311	0.2
95.95235	0.5
96.96024	100.0
97.95932	0.4
98.20248	1.2
101.02470	0.4
110.97601	0.7
114.24399	0.3
148.01648	0.3
150.03307	0.3
155.10841	0.2
163.04030	0.5
165.05591	0.3
166.02652	0.3
181.05064	1.1
191.02023	0.3
196.71901	0.2
211.06058	0.3
261.00690	0.3
281.08185	0.3
285.07632	0.6
296.07004	0.3
298.08383	0.5
311.09402	0.3
313.07196	1.9
313.10806	1.0
328.09521	4.7
329.09885	0.7
335.12283	0.4
336.12653	0.5
343.11899	4.6
344.12296	0.6
358.14212	8.7
359.14374	1.3
453.08481	0.3
468.10825	1.3
481.11597	0.4
508.21759	0.3
533.29840	0.5
665.19141	45.2
666.19446	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	663.3608
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00572	2.0
59.01379	48.8
60.72341	1.1
61.98832	3.2
71.01385	47.4
71.64742	1.9
71.65078	1.5
72.99316	2.9
73.02967	2.4
83.01387	4.0
85.02962	8.1
87.00886	10.3
89.02451	48.7
95.01412	3.6
101.02458	22.0
104.33394	1.3
111.00869	1.6
113.02463	18.0
119.03529	18.6
121.88496	1.6
128.82408	1.3
131.03506	2.1
143.03537	6.3
149.04599	1.6
153.18225	1.3
159.40866	1.2
161.04564	9.4
163.62862	1.2
179.05603	18.3
277.21881	2.2
279.23282	100.0
280.23520	9.2
283.97281	1.3
293.24838	4.7
321.24353	3.4
323.09839	28.8
324.10251	2.8
341.10898	58.8
342.11298	3.2
352.83008	1.3
396.94531	1.3
419.49252	1.3
579.28326	2.0
603.33899	23.9
604.33881	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	664.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.2
61.98829	100.0
62.05889	0.1
62.98529	0.2
69.40482	0.3
69.40903	0.3
71.01402	0.2
89.02465	0.2
101.02451	0.1
119.03512	0.1
135.04590	0.1
238.19009	0.1
238.84491	0.1
248.13661	0.1
277.21817	0.1
278.22202	0.2
279.22412	0.1
447.70459	0.1
491.65063	0.1
579.27301	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	663.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19812	0.4
52.33030	0.5
59.01376	15.1
61.98829	1.0
68.99793	0.7
69.03446	0.6
69.51798	1.9
69.52226	2.8
71.01382	1.5
80.05058	0.7
81.03444	0.7
83.01364	0.5
85.02962	1.7
87.00925	0.5
89.02452	0.6
94.02985	4.1
94.06626	1.4
95.05056	0.8
96.04558	1.1
96.96012	3.7
99.08116	0.7
101.02423	0.7
106.06635	1.6
108.04575	3.2
108.08259	0.5
110.06143	5.2
113.02456	1.2
118.06593	0.6
120.01230	0.6
120.08210	2.4
121.05341	1.4
122.02459	0.9
122.06136	11.8
123.03233	0.7
124.04072	5.5
127.07688	0.6
130.06613	0.7
132.04543	0.7
134.06169	0.5
136.04059	4.4
137.04845	2.4
138.05627	5.7
144.04564	2.2
145.08733	6.0
146.06123	0.8
147.05617	2.4
148.04059	0.8
148.07748	0.5
149.04741	0.6
150.05620	6.5
151.00401	0.6
160.04056	1.4
161.03679	0.9
161.04832	3.4
162.05618	1.5
168.06671	1.9
173.04803	0.8
174.05640	5.5
175.05089	3.6
175.08774	0.6
176.05821	0.8
186.05669	0.7
186.09250	1.0
186.12825	1.0
187.06270	0.5
187.09880	3.1
188.03546	0.8
191.01994	0.9
192.06662	0.8
193.03754	1.2
199.08691	1.2
200.09486	0.7
201.10347	18.3
202.10652	1.1
202.12428	0.5
203.05936	3.8
203.11932	1.5
209.07246	0.7
211.08730	2.2
212.09212	0.5
212.11028	0.6
213.10326	9.4
214.10771	0.9
215.08250	0.9
215.11870	2.6
217.09814	1.1
223.08752	1.5
224.09541	0.9
225.10236	1.5
226.07527	0.6
226.11127	0.7
227.08293	1.1
227.11856	5.0
228.12352	0.7
229.09807	21.5
229.13341	8.2
230.10208	2.1
235.08842	0.9
236.09473	1.1
237.10347	1.8
238.10938	0.8
239.11877	11.8
240.12221	0.9
241.09851	2.9
242.10431	0.6
243.11412	1.2
245.12955	2.1
246.11259	0.7
247.10931	3.3
249.10497	0.6
251.11871	0.7
253.09818	0.8
255.11391	5.0
257.12949	6.4
258.13171	0.7
259.10980	0.7
263.08124	0.6
265.09604	0.7
267.07388	0.6
267.11325	2.7
269.09189	0.6
271.10861	1.7
273.08502	0.5
273.09595	0.6
273.12421	6.2
274.12668	0.7
274.97775	0.5
275.14059	1.5
276.08963	0.8
279.11374	1.0
281.09332	1.2
283.10825	3.6
285.12439	1.3
287.10541	0.7
289.11945	6.5
291.11398	1.6
293.09451	0.6
297.12473	1.0
301.11902	27.9
302.12292	2.7
303.13489	0.6
309.12466	1.7
311.10330	1.2
313.11847	0.7
316.14722	0.6
319.12988	100.0
320.13324	10.0
325.12057	1.6
326.12564	0.7
327.13464	4.7
328.10782	0.8
328.14429	0.7
329.11612	1.7
330.12506	1.3
331.13281	0.9
332.10370	0.7
332.14194	0.9
342.12500	1.5
342.16272	0.8
343.13065	4.7
344.13956	2.1
345.15015	1.3
346.11856	0.8
346.15598	1.7
349.17694	0.7
356.14151	0.7
357.10907	0.6
357.15002	1.3
358.15497	1.5
359.12717	1.6
360.13364	0.9
370.15701	1.5
371.13022	1.3
372.13492	4.0
372.17346	0.7
373.14471	1.0
376.16718	1.2
377.13821	1.6
378.14108	0.7
378.18311	1.5
379.18900	0.9
384.17499	1.2
385.14078	0.7
386.15091	5.9
387.15820	2.1
388.16675	4.2
390.14502	1.5
400.12463	1.0
400.16888	2.1
401.17484	1.2
402.13980	0.7
403.14941	2.1
404.16147	11.0
405.16882	5.9
406.17838	2.3
412.16772	1.0
414.14725	2.9
415.15402	0.9
416.16141	1.9
417.17209	1.2
418.13657	2.6
419.14774	1.8
428.16089	2.1
429.17001	1.8
431.14688	0.7
432.15472	5.8
433.16245	0.7
437.15817	6.7
438.16602	0.6
446.17120	4.2
447.18085	3.0
448.18185	0.9
450.16846	1.6
490.16241	1.3
509.21927	1.3
515.22858	1.3
519.25854	1.4
527.22998	6.4
528.23138	1.0
531.20947	1.7
539.22858	1.4
545.24042	15.7
546.24396	3.2
551.23212	3.0
553.20978	0.6
557.24097	2.0
563.24976	1.0
569.24133	11.0
570.24408	2.5
572.22437	0.6
587.25116	55.6
588.25470	10.7
590.23639	3.3
591.24310	1.6
601.23480	2.8
602.23462	0.9
613.23114	7.5
614.23822	1.4
619.28027	1.3
619.38049	0.7
631.24219	79.0
632.24524	17.1
633.25751	1.1
645.25720	6.8
646.25867	1.4
663.26776	63.6
664.27155	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	662.3405
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42600	0.1
59.01377	1.2
60.01694	0.1
60.23932	0.1
61.98830	100.0
62.98530	0.2
69.03460	0.2
69.48663	0.5
69.49092	0.4
71.01396	0.7
72.99329	0.1
73.02965	0.1
78.95926	0.1
79.95725	0.1
83.01414	0.1
85.02975	0.3
87.00894	0.1
89.02465	0.4
93.71624	0.1
95.01380	0.1
96.96031	1.1
96.96613	0.1
98.19911	0.2
101.02475	0.4
106.06670	0.1
113.02456	0.5
116.92896	0.2
128.03577	0.1
131.03517	0.1
131.49374	0.1
139.57852	0.1
145.85699	0.1
149.04579	0.1
149.79805	0.1
155.65561	0.1
161.04640	0.2
241.09874	0.2
242.10175	0.1
283.10767	0.6
308.11578	0.1
315.13669	0.1
316.13879	0.1
317.14148	0.2
492.17773	0.1
514.78387	0.1
524.20081	0.1
600.34503	0.1
602.35449	0.3
663.32916	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90451	1.0
55.01863	1.6
59.01383	50.0
61.98825	3.1
69.03464	1.4
69.90435	4.2
69.90849	2.4
71.01389	19.0
71.97221	1.0
72.83991	1.0
72.99343	1.4
73.02953	6.8
79.95736	1.9
83.01394	2.5
84.40827	1.0
85.02962	11.3
87.00890	1.9
89.02454	9.8
94.06625	2.0
95.01423	1.7
95.05063	1.9
95.95293	1.0
96.96020	17.7
98.19958	1.6
98.20515	2.5
98.95629	2.7
99.00907	1.6
101.02456	12.5
106.06640	2.0
107.03784	4.1
108.04572	2.4
110.06124	9.9
113.02467	8.7
116.92885	4.0
117.92922	1.7
119.03530	3.4
120.04596	1.3
121.05372	2.6
122.06140	45.8
123.06478	1.8
129.01967	1.7
134.06152	11.1
136.07693	4.9
136.51051	1.0
139.04077	2.5
143.03535	1.4
144.04567	2.0
146.06155	2.5
147.03078	1.2
152.07175	1.6
160.04106	2.1
160.06461	4.9
161.04811	5.2
162.05565	2.2
165.02061	1.3
173.04829	2.2
174.05632	11.1
180.06648	8.0
186.05655	2.4
187.06395	1.3
188.07205	4.8
193.03694	2.1
201.10408	1.3
203.05873	2.6
203.11940	2.4
204.06622	2.0
210.08058	1.5
211.08844	1.4
212.05917	1.7
213.10330	19.7
214.10712	1.5
215.11882	3.7
223.08769	2.5
224.09564	1.2
225.06557	1.4
225.10316	3.4
226.11029	2.1
227.11847	1.5
236.09511	1.7
237.10284	4.5
238.11089	2.0
239.08322	1.7
239.11896	30.5
240.09073	1.0
240.12347	3.2
241.00256	1.3
241.13464	14.1
242.13829	1.9
249.10323	2.5
251.08318	3.2
251.11989	8.0
252.09047	1.6
252.12585	1.6
253.09856	4.7
257.12964	2.3
263.08276	3.1
263.11823	3.7
264.09024	8.8
265.09814	14.1
265.12918	1.3
265.13556	1.2
266.10614	3.7
267.07840	2.3
267.11407	10.2
268.08591	3.0
268.12158	1.7
269.09106	1.5
276.09027	2.1
277.09888	3.6
278.06851	1.2
278.10587	1.6
279.07840	3.0
279.11429	13.6
280.08817	1.2
280.12088	4.7
281.09720	6.6
281.12375	6.2
282.09952	1.6
283.10818	6.5
285.09174	2.0
285.12436	57.2
286.12720	5.1
291.07925	2.1
291.11407	8.6
292.08572	15.1
292.11804	2.0
293.09308	11.7
293.12955	6.6
295.10886	4.6
296.11630	5.3
298.09644	1.6
299.10352	2.4
301.11926	9.0
306.10110	5.4
307.07379	2.2
307.10907	44.6
308.11520	15.9
309.12256	2.6
311.10284	7.2
312.11157	1.7
313.11969	2.1
321.12411	1.5
323.14014	1.7
325.12103	2.2
328.10843	2.5
328.14383	1.4
330.16010	2.0
333.08768	1.5
335.10147	1.2
339.09805	1.7
340.10724	6.5
341.11462	1.1
342.12271	1.4
343.13168	4.5
344.17688	2.8
345.18433	2.6
350.09131	10.7
351.09872	30.2
352.10464	5.4
354.16174	2.8
355.13461	1.6
356.10254	1.3
356.13834	5.7
357.14676	1.5
358.15637	1.6
365.11438	3.7
368.17740	3.3
369.14478	1.6
370.15656	12.7
371.16293	4.1
372.13144	1.6
372.17322	5.7
374.14532	1.5
382.12189	2.1
383.12540	3.0
384.13367	3.1
384.17633	1.5
385.13876	1.6
385.18198	2.3
387.15973	2.2
388.16766	3.1
396.13544	1.3
398.15134	15.3
399.15390	2.9
402.18637	1.3
403.15442	4.7
406.17688	1.3
412.16632	11.4
413.17377	9.9
413.21924	1.4
414.18118	1.8
418.17792	1.8
420.19318	3.2
430.17773	13.2
431.18274	1.5
432.15558	1.9
433.16458	3.6
437.22089	1.4
444.19284	1.7
445.16550	1.3
447.17987	3.1
448.18896	7.8
449.27698	1.9
451.17477	2.3
455.22849	60.9
456.16248	2.4
456.23309	7.4
462.20352	4.9
466.19727	6.0
474.16757	4.8
475.17004	1.4
481.22620	2.2
485.24359	6.4
486.24826	1.4
488.17834	1.6
491.17111	2.9
492.17587	10.3
493.22479	3.6
506.19296	20.7
507.19720	3.8
511.23868	9.0
512.24164	2.1
520.20758	2.4
523.23462	3.7
524.20087	8.9
529.26459	1.3
535.23291	13.4
536.23828	3.0
538.21906	53.4
539.22375	12.1
553.24530	45.5
554.24969	8.9
556.23450	3.3
567.25641	1.3
575.26422	1.7
579.22565	4.9
581.31445	2.3
585.27747	6.8
586.27765	1.3
597.23572	53.0
598.23914	11.0
599.24658	2.7
611.25378	6.9
612.25403	2.3
617.27802	1.8
625.16156	2.6
629.26337	76.1
630.26563	18.7
631.27765	10.6
632.27844	2.4
643.27679	3.7
644.28821	1.8
661.28876	100.0
662.29095	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	21.0
61.98835	7.2
71.01385	6.7
71.04735	3.7
73.02950	3.0
85.02953	3.5
88.04019	1.8
89.02484	2.1
96.96021	15.0
97.02934	1.6
99.00873	2.5
101.02451	3.5
106.06667	2.8
107.03797	2.3
108.04577	2.2
109.95852	1.4
110.06157	6.4
113.02453	3.0
120.04569	2.4
121.05328	1.6
122.06126	34.8
134.06140	8.2
135.04457	1.9
144.04567	3.3
146.06111	2.2
160.06445	4.6
161.04797	3.0
162.05678	2.0
162.23470	1.4
165.05626	2.1
174.05679	7.8
180.06662	4.3
186.05585	2.0
188.07239	2.9
198.12993	1.7
203.05937	2.1
203.11952	2.2
213.10388	23.1
214.10670	1.5
215.11870	4.2
225.10175	1.7
226.11375	1.4
232.49707	1.5
235.12399	2.2
236.99535	1.5
237.10408	1.7
239.11894	18.2
240.12369	1.8
241.13463	15.2
241.71878	1.5
249.10356	1.8
251.08353	1.7
251.11876	6.5
255.11400	1.8
263.08398	1.6
263.11887	4.3
264.09143	9.2
264.12314	1.4
265.09824	9.1
266.10535	2.4
267.11478	4.5
276.09039	2.0
277.09872	3.5
278.10510	2.2
279.08188	3.0
279.11411	13.8
280.11951	3.4
281.09564	1.6
281.12833	1.6
283.10995	3.7
285.12433	56.2
286.12863	4.9
291.08289	2.4
291.11386	11.2
292.08588	11.2
293.09293	8.8
293.12970	7.0
301.12024	5.1
305.09155	1.8
306.10126	4.7
307.10858	38.1
308.11591	14.6
309.12180	3.4
311.10382	4.4
312.11041	2.8
313.11902	2.1
314.12906	1.8
321.12436	2.5
325.11914	3.0
335.10254	2.0
339.13519	1.8
340.10721	4.9
343.13055	5.4
350.09070	11.9
351.09833	31.6
352.10403	5.8
353.11316	1.9
356.14020	4.1
357.53418	1.6
365.11459	2.3
368.17551	2.8
369.14703	2.1
370.15729	9.4
371.16254	2.6
372.17279	3.7
383.12540	2.4
384.13303	3.5
397.14355	2.3
398.15137	13.1
403.15277	2.5
412.16669	10.5
413.17352	9.8
430.17636	7.6
432.15414	2.9
447.18356	2.3
448.18842	4.1
456.15649	1.8
462.20590	3.5
474.16995	5.1
475.17166	2.1
485.24405	2.8
491.17053	3.3
492.17535	13.6
497.02924	1.7
506.19437	22.4
507.19574	3.6
511.23416	5.5
512.23505	2.8
520.20856	2.8
524.20587	6.7
535.23352	13.5
536.23810	3.4
538.21881	52.9
538.29846	2.8
539.22107	8.8
553.24506	50.5
554.25031	10.7
567.26428	2.0
579.22552	4.2
585.27112	6.8
586.27930	2.9
597.23517	46.3
598.23883	10.8
611.25183	7.6
629.26337	100.0
630.26514	23.5
643.28571	2.9
661.28931	52.2
662.28400	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	661.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15965	0.6
53.45580	0.6
59.01380	8.3
61.98831	6.4
69.03472	0.7
70.30415	1.5
70.30813	1.5
71.01389	2.1
73.02936	1.6
79.95747	0.7
85.02929	1.8
89.02445	1.2
95.01332	0.6
95.05050	0.9
96.96019	6.3
98.20560	1.0
99.00868	0.8
101.02431	1.4
101.45045	0.7
107.03774	1.7
108.04556	0.8
110.06107	2.6
113.02435	1.4
116.92881	0.8
118.22018	0.5
120.04600	1.1
120.08244	0.6
121.05328	0.8
122.06129	17.2
123.06435	0.9
130.06680	0.8
134.06126	5.1
136.07718	1.6
144.04559	1.3
146.06110	0.9
160.04068	0.9
160.06418	1.1
160.68951	0.6
161.04735	1.4
162.05646	1.0
173.04752	0.6
174.05612	2.8
180.06639	3.0
185.00861	0.7
186.05591	2.1
187.06329	0.9
188.03522	0.6
188.07195	2.2
201.10292	0.9
203.05957	0.9
203.11942	0.8
213.10332	8.5
215.11777	0.9
223.08685	0.9
226.10957	0.8
235.08870	1.2
235.12180	0.7
235.17041	1.0
236.09425	0.9
237.10271	1.7
238.10985	0.6
239.11887	12.3
240.12285	1.2
241.09779	0.8
241.13409	5.7
242.13861	0.8
249.06134	0.8
249.10332	1.3
251.08278	1.6
251.11874	6.8
252.08948	1.1
252.12263	0.7
263.08249	2.3
263.11844	1.7
264.08990	12.6
265.09750	5.7
266.10559	1.2
267.11334	2.0
275.08279	0.7
277.09827	3.6
278.06873	1.4
278.10309	1.3
278.42154	0.7
279.07828	2.0
279.11362	16.5
280.08878	0.7
280.11816	3.0
281.09381	1.2
281.12759	1.5
282.09967	0.7
283.10831	1.7
285.12424	19.1
286.12851	1.1
289.09637	1.0
290.10538	1.3
291.07767	2.7
291.11279	3.2
291.85892	0.6
292.08496	18.0
293.09216	5.7
293.12878	1.9
294.09796	1.3
295.10855	0.8
301.11984	1.5
305.09332	1.6
306.10028	5.9
307.10867	46.1
308.11459	12.6
309.12381	1.4
311.10382	1.5
312.11063	1.1
313.12177	0.7
321.12421	1.9
322.13089	1.4
323.10446	0.7
333.08713	2.2
339.13651	1.4
340.10657	3.1
343.13171	1.4
344.13452	0.8
344.17517	1.3
350.09036	15.6
351.09848	45.1
352.10312	6.4
356.13800	1.9
357.14746	0.9
365.11343	2.6
368.17578	0.8
370.15598	3.3
371.16486	0.8
372.17212	1.2
383.12650	1.8
384.13382	1.9
388.16827	1.3
397.14185	0.8
398.14978	3.7
403.15173	1.0
412.16516	4.1
413.17490	3.2
418.17969	1.2
420.19260	0.8
428.15836	1.0
429.16870	1.3
430.17651	5.5
431.18488	0.8
432.15268	1.2
433.16501	0.8
444.19226	1.5
446.17810	1.4
447.18002	3.5
448.18851	3.6
452.07468	2.1
453.08557	1.1
462.20297	2.5
474.16754	2.6
488.18268	2.1
491.17239	3.7
492.17822	6.3
493.17972	1.0
504.17828	0.9
506.19299	41.0
507.19681	5.6
508.20798	1.1
511.23450	2.3
520.20685	4.7
523.18884	3.2
524.19983	4.6
529.22876	2.2
535.23615	4.8
536.24066	1.1
538.21924	100.0
539.22186	17.7
553.24475	19.6
554.24823	4.1
567.24969	1.0
568.25085	0.7
579.22638	0.9
585.27136	3.6
597.23621	16.1
597.33380	0.8
598.24042	2.9
599.13788	5.1
611.25421	3.5
617.34143	1.2
629.26306	40.1
630.26715	10.6
643.27203	1.1
661.28955	25.6
662.29413	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	661.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01366	0.6
54.36169	0.6
59.01457	4.5
61.98902	0.8
70.79355	1.9
71.01473	0.8
94.06702	0.8
96.95578	0.9
96.96139	2.7
101.04655	0.5
106.06744	1.9
107.03915	1.6
110.06129	5.0
120.04717	1.8
120.08327	1.0
121.05490	1.7
122.05329	1.2
122.06136	25.5
123.06583	1.1
130.06744	0.8
132.04674	0.6
134.06139	5.7
136.07811	1.7
138.05756	0.6
144.04683	1.5
145.05400	0.8
146.06279	1.5
146.89104	0.5
152.07283	0.7
160.04172	0.7
160.06450	3.2
161.05013	2.0
162.05734	0.9
173.05006	0.5
174.05638	6.3
175.06154	0.6
180.06697	3.7
186.05763	1.6
187.06517	1.5
188.07341	2.1
201.10507	1.2
203.06071	1.6
203.12074	1.7
204.06570	0.9
211.08833	1.1
213.10344	14.4
214.10738	1.0
214.12566	0.8
215.11835	2.7
223.08904	1.8
225.10484	1.8
226.11311	2.0
227.11987	0.8
235.08888	0.7
236.09721	1.1
237.10512	2.0
238.07677	0.7
239.11896	16.2
240.12514	1.8
241.13466	11.4
242.13921	1.5
249.10533	1.5
251.08435	2.1
251.11888	5.5
252.09009	0.6
253.10069	0.9
261.10519	1.0
263.08420	1.9
263.11926	2.6
264.09064	6.7
264.11996	0.8
265.09790	6.7
266.10635	1.6
267.11353	4.4
271.11063	0.6
272.17630	0.6
276.09125	1.5
277.09680	2.9
278.07263	1.3
278.10764	1.6
279.08032	1.8
279.11328	10.8
280.11929	3.4
281.09476	1.7
281.13095	1.9
282.10190	1.0
283.10858	3.7
285.12439	45.3
286.12808	4.8
289.10043	1.1
290.10849	1.1
291.07993	2.1
291.11575	7.8
292.08539	10.0
292.11816	1.2
293.09415	6.2
293.13110	4.5
294.10233	1.1
294.13269	1.3
295.10938	1.1
296.11859	0.7
298.09851	0.9
301.11865	3.3
305.09442	1.3
306.10056	3.5
307.10880	29.4
308.11566	14.1
309.12378	1.1
311.10193	2.7
312.11145	1.2
313.12119	1.1
314.12836	0.6
321.12430	1.0
322.13519	1.2
323.10410	0.9
323.13986	1.0
324.11243	0.9
325.12134	1.1
329.15524	0.7
330.16229	2.0
333.08975	1.5
339.13596	0.8
340.10599	4.0
341.11499	0.9
343.13275	2.4
344.13745	0.9
344.17816	1.5
345.18341	1.2
350.09058	9.9
351.09854	27.9
352.10361	5.9
354.16302	1.6
356.14029	3.3
361.14368	0.6
365.11560	2.6
366.12213	1.4
368.17758	2.1
369.14908	1.0
370.15527	8.0
371.16312	2.4
372.17361	3.2
375.16013	0.8
376.16797	0.8
382.12064	1.0
383.12781	2.0
384.13461	2.0
384.17664	1.0
386.18927	0.9
388.16913	0.9
396.13602	1.1
397.14182	1.4
398.15115	11.1
399.15787	1.6
400.16956	1.2
402.18326	1.0
403.15417	2.7
404.16113	1.0
405.16885	0.8
412.16635	7.7
413.17386	9.5
414.18088	1.8
418.17871	1.6
420.19205	0.9
428.16214	0.7
430.17719	8.5
431.18073	1.2
432.15378	0.9
433.16263	0.8
444.19360	1.3
446.17419	0.8
447.18060	2.3
448.18820	3.8
449.19077	0.9
451.17075	0.7
456.16034	1.7
457.16476	2.1
462.20779	3.8
466.19925	0.8
474.16788	4.0
475.17395	0.8
478.82559	0.6
481.22339	0.9
485.25510	1.6
491.16891	2.2
491.23700	0.7
492.17712	14.1
493.17236	1.3
493.22845	1.9
506.19321	22.3
507.19849	4.2
509.25760	0.8
511.23270	4.8
512.23987	1.8
520.20892	2.1
523.23346	2.2
524.19873	3.9
535.23395	10.2
536.24078	2.5
538.21899	49.4
539.22260	9.6
553.24500	42.9
554.24957	10.3
556.23340	0.8
557.23956	1.0
567.26038	2.3
574.01422	0.6
579.21967	3.4
580.22375	1.4
585.27252	7.2
586.27411	2.4
597.23590	38.6
598.23816	8.8
599.25427	0.8
611.25171	6.4
612.25427	1.1
629.26288	100.0
630.16156	1.2
630.26581	24.7
643.27570	1.8
644.28729	0.7
650.67236	0.6
661.28845	39.0
662.29266	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	659.4327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95396	0.2
54.07864	0.3
54.53320	0.2
57.03446	0.7
59.01380	100.0
60.01704	1.3
61.98832	1.5
69.84084	0.7
69.84496	1.3
78.95934	2.1
83.05066	0.4
106.55602	0.3
119.93823	0.3
152.99576	0.7
161.59662	0.4
225.11409	0.4
277.21866	0.4
478.94528	0.3
519.01807	0.3
523.35883	0.5
541.37054	0.5
545.38513	0.5
563.39337	1.3
581.39868	0.6
659.35773	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.9
58.02950	1.1
59.01377	18.0
61.98837	8.0
63.10617	1.0
69.03443	3.5
70.04400	5.6
71.01396	8.8
72.00861	1.2
72.99310	1.7
73.02945	3.0
74.02468	4.7
75.00864	2.8
78.95916	2.6
79.95738	3.0
83.01385	2.5
85.02950	8.8
85.43146	0.9
87.00883	2.8
88.98801	7.3
89.02425	4.8
93.03431	1.1
94.02965	1.2
95.01384	1.6
95.04997	0.9
95.95217	1.0
96.96025	43.2
98.02481	1.2
98.19910	1.1
98.95584	3.1
99.00887	2.2
101.02454	6.8
103.00366	1.6
108.02155	1.2
108.04589	2.8
109.02973	1.1
110.06123	4.0
111.04534	1.1
113.02462	6.3
115.00399	1.2
116.05095	1.1
116.92894	0.9
117.59632	1.0
119.05042	2.1
120.01218	1.9
122.06107	4.7
123.03266	2.1
123.04537	1.3
124.04050	4.4
125.02436	2.0
125.42536	1.1
129.01932	1.8
130.06703	1.3
134.03673	1.6
136.04063	5.1
137.02481	1.4
138.05591	1.5
141.01904	1.3
145.28391	1.0
146.06172	1.0
147.03311	1.5
147.04546	22.7
148.04979	1.2
149.06024	1.7
150.03217	1.3
150.05568	3.4
150.06693	1.2
151.00391	1.2
151.04034	1.1
152.01160	0.9
154.99878	1.4
160.04079	2.5
161.04614	1.1
162.05618	1.5
163.03986	1.3
164.98712	1.5
165.05557	1.4
167.07260	1.7
168.06590	2.4
168.64017	1.0
175.02434	1.2
179.10715	1.3
185.00894	1.2
189.05530	2.2
191.01889	1.2
201.10356	1.8
215.11971	1.1
224.09212	0.9
225.06497	1.1
241.00185	2.4
241.09831	1.7
247.08568	1.1
248.09364	1.3
255.11317	1.6
257.13181	1.5
262.10950	1.4
263.08194	1.3
267.07269	3.2
268.08194	1.2
275.08218	3.1
276.08942	3.3
277.09760	3.3
281.09222	1.4
283.10718	3.8
289.06989	1.8
289.09833	3.2
290.10382	1.8
291.11261	3.3
301.03467	1.6
315.05057	3.6
328.10779	2.6
329.11777	1.6
340.11038	2.1
341.11948	1.8
342.12366	3.1
343.13254	1.9
344.13986	1.7
354.12671	1.9
355.13409	2.3
356.10178	2.1
356.14023	4.0
357.11060	1.7
358.11877	1.8
368.10327	2.8
369.11002	3.9
370.11829	4.2
370.15723	2.4
371.12900	3.2
372.13425	4.2
373.14081	2.1
382.11874	3.2
383.08496	1.2
383.12878	4.2
384.09702	3.1
384.14151	5.5
385.09998	1.5
385.14066	3.2
386.15265	4.9
390.14502	6.9
394.11740	2.8
398.10886	2.8
398.15619	7.9
399.11496	2.5
399.15866	4.5
400.12631	5.0
400.17264	1.8
402.14658	1.2
404.16083	4.1
408.13489	2.3
409.14197	1.8
410.15045	3.0
412.12817	12.0
414.14645	17.4
415.14969	3.7
416.16486	8.0
417.17105	1.4
418.17758	2.9
424.16757	3.4
426.14642	3.8
427.15463	6.5
428.15994	1.7
429.13141	1.9
430.14059	39.9
431.14731	7.9
444.15707	12.3
445.16385	42.8
446.16946	9.6
448.14905	7.9
449.15674	2.2
449.27649	3.9
473.16354	2.4
476.18509	7.1
477.15170	16.3
478.16000	1.8
485.23709	2.3
489.15518	19.6
490.15851	2.6
498.35068	1.4
499.32330	5.6
509.17877	3.6
521.17603	2.1
555.23175	1.9
567.22668	14.5
568.22797	2.4
575.27734	9.1
576.27100	1.4
581.32727	2.8
582.98364	1.1
585.23706	60.9
586.23663	9.8
587.25018	2.8
599.25385	14.1
600.25787	1.6
611.21667	2.0
617.26166	65.5
618.26294	12.8
629.22693	45.3
629.31586	0.7
630.22644	9.0
661.25366	100.0
662.25507	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3655
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38149	0.5
55.01876	2.3
57.03442	2.4
57.34471	0.4
58.00591	2.0
59.01379	53.4
60.01714	0.8
61.98823	4.4
68.99816	0.6
69.03465	1.4
71.01386	51.5
72.01726	0.9
72.99312	3.3
73.02953	10.9
75.00884	0.5
81.03465	0.6
83.01387	5.5
85.02960	15.9
86.00099	0.8
86.03316	0.5
87.00884	5.1
88.98840	0.8
89.02452	46.8
90.02781	0.8
95.01414	2.1
96.96023	2.9
97.02956	1.5
99.00909	4.0
101.02455	38.3
102.02802	1.0
111.00909	4.4
113.02464	14.8
114.02755	0.9
115.03947	0.9
119.03514	3.4
122.86119	0.4
125.02441	2.6
129.02037	0.6
131.03520	28.0
137.02499	0.4
143.03543	2.4
144.04587	1.1
149.04572	50.2
150.04892	1.3
159.03131	1.1
161.04565	4.7
188.03571	0.5
191.05614	14.0
198.09242	2.1
203.05792	0.9
215.05795	0.5
226.07393	1.4
228.08984	1.8
233.06580	1.2
239.11884	8.4
241.09813	54.6
242.10143	4.8
243.11407	1.1
251.07709	1.7
255.11461	1.0
256.12161	31.3
257.12421	2.9
272.64832	0.5
281.08862	0.5
293.08774	1.7
300.11176	7.3
301.11386	1.0
311.09891	1.6
315.13492	77.2
316.13815	8.1
325.11850	0.5
343.13156	2.2
434.99707	0.5
464.02664	0.5
467.30157	7.5
468.30313	0.8
511.29260	0.7
551.23401	0.6
579.24670	0.6
580.80157	0.5
583.25421	2.0
584.25165	0.6
596.34735	0.5
599.34369	100.0
600.34668	21.1
659.25494	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4329
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.2
59.01379	100.0
60.01712	1.1
61.98833	0.8
66.04131	0.1
69.78790	0.9
69.97758	0.1
78.95927	0.4
83.05032	0.2
85.76825	0.1
101.85976	0.1
143.26573	0.1
157.66383	0.1
277.21887	0.2
306.74316	0.2
541.36957	0.3
659.35840	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60993	0.5
59.01378	7.9
61.98837	3.8
71.01379	3.7
71.44958	0.8
73.02953	1.2
79.95750	1.1
85.02958	1.7
87.00864	1.1
88.98815	0.9
89.02472	1.9
96.96016	8.1
101.02470	1.8
107.03863	0.5
110.06124	2.1
113.02465	2.1
119.03557	0.8
122.06140	9.5
125.02444	0.5
134.06134	1.4
137.02492	0.5
139.04031	0.9
139.30615	0.5
160.01724	0.5
161.04648	0.6
186.05794	0.5
201.10309	0.6
201.41040	0.5
213.10391	0.7
235.08669	0.9
236.09485	0.6
237.10257	0.9
239.12000	0.6
241.00211	0.9
247.08719	0.7
249.10310	2.3
250.11108	1.0
251.08282	1.6
251.11818	0.9
262.07529	0.9
263.08224	12.7
264.08777	2.2
265.09824	4.0
273.16556	0.6
275.08344	0.7
276.09030	2.8
277.06604	0.7
277.09808	12.1
278.07236	0.9
278.10519	6.7
279.11270	4.4
289.09943	0.6
291.07751	53.5
292.08209	5.7
293.09387	0.8
293.12955	0.8
304.08490	1.6
305.09302	10.4
306.10089	58.3
307.10645	10.8
308.07999	2.5
308.11200	1.0
309.08853	1.1
310.09604	1.7
321.12424	5.2
323.10324	0.9
332.08337	1.2
337.11850	3.2
338.09085	5.5
338.12817	1.9
339.09506	1.0
340.10858	1.0
350.09079	100.0
351.09430	11.7
354.12616	0.6
356.13971	1.5
365.11417	12.8
366.11871	1.7
368.14053	1.8
370.11575	3.0
370.15775	0.8
380.10410	2.1
381.11075	1.4
382.11542	0.6
382.15857	3.1
382.19629	0.6
383.12381	0.7
384.17233	1.0
386.15292	1.0
388.16589	0.6
394.11737	0.6
396.13544	12.4
397.13947	3.7
398.15268	0.7
404.15445	0.6
405.16953	0.6
410.15173	4.2
411.15793	8.4
412.16431	3.0
413.13785	0.7
414.14673	1.2
416.16028	3.0
428.16150	6.0
429.16745	0.7
442.17700	1.9
443.14252	2.7
445.16721	1.0
446.17117	9.1
447.17792	0.8
447.25925	0.8
448.18854	1.1
455.14893	2.4
460.18878	4.1
462.20407	0.7
474.20221	1.8
478.19763	6.9
479.20004	1.0
487.17398	6.8
488.17758	1.6
490.16171	30.1
491.16641	4.3
492.21564	3.7
493.21960	2.3
505.18463	17.5
506.19077	3.5
510.23279	0.7
522.18805	15.3
523.19067	2.2
533.22040	1.7
535.31390	0.8
536.20343	1.2
537.21106	10.8
538.21637	2.0
551.22992	12.8
552.22931	3.2
555.28168	1.1
565.24719	2.5
573.28674	0.9
579.30194	0.7
583.25629	9.7
584.25647	2.6
595.22064	6.9
596.22284	1.7
609.23364	0.7
615.28528	4.5
616.28839	0.8
627.24731	77.5
628.25116	19.0
659.27148	30.9
660.27393	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	657.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.9
56.05360	0.6
57.03452	2.0
58.00598	4.8
58.65996	0.6
59.01380	100.0
60.01714	1.6
61.98837	2.9
67.19478	0.6
69.91531	2.6
69.91946	1.3
71.01386	68.6
72.01711	1.0
72.99325	5.4
74.28948	0.6
75.00867	1.0
79.95730	3.3
83.01402	2.1
85.02959	16.9
87.00888	5.3
89.02454	92.3
90.02793	2.1
95.01385	5.8
95.95218	1.2
96.96024	36.3
99.00912	0.9
101.02455	31.2
105.01948	0.9
107.03545	0.8
109.02945	1.1
113.02464	28.3
113.03249	1.5
114.02807	1.5
119.03521	33.3
119.04896	1.2
120.01251	1.0
120.03836	0.7
122.86919	0.7
123.04561	0.8
125.02476	1.4
126.77905	0.7
129.01926	0.9
131.03505	4.4
135.04526	1.0
143.03517	9.1
149.04575	3.4
161.02484	1.0
161.04582	11.7
164.04779	0.7
167.03542	3.4
173.00964	0.8
177.04015	0.6
177.05513	1.2
179.03435	1.6
179.03786	1.3
179.05621	39.6
180.04237	0.8
180.05969	1.4
191.01979	2.7
195.06609	1.4
221.04451	0.6
241.00235	1.9
242.00639	0.9
262.30615	0.7
273.07678	1.8
435.12662	1.3
657.24426	32.8
658.24902	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	659.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73597	0.6
52.13039	0.7
55.01886	1.4
57.03451	1.9
58.00585	4.3
59.01379	100.0
60.01706	0.8
61.98841	3.1
66.51781	0.7
69.03452	1.6
69.49024	0.6
71.01386	73.5
71.73227	0.9
72.01730	1.3
72.99303	5.6
73.02962	1.7
75.00876	1.1
79.95743	1.7
80.70879	0.6
80.96490	0.6
81.18844	0.6
82.09353	0.6
83.01402	2.4
85.02961	15.0
87.00886	4.9
89.02452	98.6
90.02783	1.6
95.01389	4.9
95.95232	1.3
96.96022	29.6
97.02965	1.3
98.95577	0.7
99.00898	0.9
101.02455	34.4
102.02776	1.0
107.03568	0.8
109.02969	0.7
113.02461	29.1
119.03516	33.6
120.01246	1.2
120.03783	1.0
123.04530	1.2
125.02448	1.9
126.02725	0.7
131.03511	4.9
137.02441	0.7
138.97043	1.5
143.03517	8.9
144.03856	0.8
149.04597	3.7
150.03267	0.9
152.01074	0.9
153.01906	1.8
161.04565	11.4
165.02028	0.8
166.79016	0.8
167.03441	1.0
179.05624	45.3
180.05885	1.8
181.04991	0.9
191.01973	1.7
195.06537	1.7
199.09628	0.8
219.06543	0.7
225.00677	1.0
241.00218	4.1
259.83362	0.6
267.06894	1.1
315.07135	1.3
393.19174	0.6
473.16547	3.3
512.19598	0.8
607.05951	0.9
615.15649	0.9
659.15576	8.0
659.25018	2.6
660.15204	1.4
660.25409	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	657.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.3
59.01377	10.2
61.98832	7.3
63.91196	0.4
65.92245	0.4
69.03458	1.3
69.53282	4.3
71.01379	4.1
72.99299	1.3
73.02952	1.8
75.00868	0.8
79.95750	1.6
80.05063	6.2
80.96474	0.4
83.01385	0.9
85.02950	3.9
87.00901	0.8
88.98837	0.5
89.02458	1.2
93.03456	0.8
94.06680	0.8
95.01418	0.7
96.96019	13.0
96.96958	0.5
98.20520	0.9
98.95618	0.7
99.00896	0.6
101.02483	2.3
103.00361	0.6
104.05078	0.7
106.06635	13.1
108.04577	11.9
108.08208	4.1
109.01759	0.4
111.00860	0.6
113.02472	2.2
115.00375	0.5
119.05081	0.6
120.01276	0.7
120.04562	0.6
121.02944	1.0
121.05316	1.0
122.06127	5.3
123.04543	1.0
124.07693	6.7
125.02531	0.5
132.04565	10.8
132.08205	1.6
134.03763	0.5
134.06129	7.2
134.09792	2.2
135.04500	0.7
136.05269	1.4
136.07700	21.0
137.02432	0.6
137.08051	1.2
141.59933	0.5
146.06256	0.6
148.07686	1.8
149.02493	0.5
149.06053	0.8
150.03271	0.6
150.05704	2.5
151.00397	0.6
152.07164	4.6
160.04050	0.5
160.07683	0.6
161.04536	0.5
165.05612	0.9
165.09206	1.8
167.03520	1.0
168.06845	1.9
176.03458	0.8
178.05118	3.6
183.09174	2.8
185.00894	0.9
195.06573	0.7
199.12373	1.9
204.06606	0.6
210.07906	0.8
211.08812	1.0
212.10780	0.8
213.10291	2.6
213.14001	0.7
214.12379	1.2
224.09479	3.0
225.10291	5.0
226.10953	0.9
227.08240	0.8
228.09029	0.6
237.10350	0.5
239.08290	0.8
239.11865	6.2
241.00291	0.5
241.09920	1.0
241.13483	2.6
242.10651	1.5
243.11394	0.5
255.11382	3.3
256.11813	0.6
257.12939	66.7
258.13284	5.2
267.07513	0.5
267.11337	2.1
283.10828	1.3
285.07672	2.1
285.12369	3.5
299.10468	1.1
301.11792	0.7
327.09903	0.6
329.11386	3.5
351.21765	2.3
364.16611	1.2
374.18771	0.6
375.15280	0.6
390.18213	1.6
392.19830	3.8
402.18243	1.0
418.22192	2.2
432.15411	0.8
436.18756	50.5
437.19019	7.5
462.20447	4.5
463.20575	0.6
467.20947	1.5
476.14731	0.5
477.32364	0.5
497.21713	0.9
509.21570	0.7
525.25330	0.6
551.22748	1.7
569.24133	27.8
570.24384	5.9
572.27368	3.6
595.21973	2.5
613.23169	100.0
614.23242	21.8
626.19897	1.6
656.36206	0.6
656.63129	0.5
656.76434	0.5
657.26660	3.7
657.38977	2.9
658.24335	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.7
57.03457	2.6
59.01381	18.6
61.98832	5.3
69.03458	0.7
70.82010	0.5
71.01384	14.8
71.73100	0.9
72.99305	1.8
73.02953	4.2
75.00881	3.0
78.95905	2.6
79.95743	24.5
80.96529	1.9
83.01398	1.6
83.05026	0.7
85.02444	1.0
85.02950	13.3
86.03307	0.7
87.00886	2.0
88.98810	0.7
89.02457	7.5
93.03477	1.7
95.01365	0.7
95.95244	33.3
96.96022	85.7
97.02974	0.8
97.69936	0.6
98.95604	0.9
99.00893	1.8
101.02458	12.2
108.02198	1.0
109.02976	2.3
111.00909	1.9
111.04605	0.6
113.02451	5.5
115.00361	0.6
116.92873	2.4
119.03535	2.9
119.05024	1.5
120.01266	1.3
120.99681	0.6
121.02990	1.3
122.97645	0.9
123.00897	0.7
124.01680	0.7
125.02464	1.6
129.01947	4.1
134.03729	0.8
135.04552	8.2
137.02467	1.6
137.06062	1.0
137.09688	1.0
138.97069	2.8
143.03615	0.8
145.02954	0.7
147.03036	0.9
147.04565	0.6
149.02420	0.7
149.04521	0.8
150.03137	0.7
150.97084	10.9
151.00354	0.8
151.97870	3.9
152.01135	0.9
152.98689	0.5
153.01921	1.6
154.99872	0.8
155.10805	1.0
161.04536	1.2
161.09761	0.8
163.04060	1.3
164.98721	0.6
165.05597	0.7
166.96358	0.5
167.03479	0.7
168.98090	0.7
169.01454	1.7
175.02545	0.9
177.01814	0.6
177.04079	4.5
179.03543	1.9
179.05548	0.6
179.10760	0.7
180.98067	0.8
182.99712	0.5
183.13985	0.6
189.01895	0.7
191.02026	3.0
194.99767	0.6
199.09740	1.6
202.99754	0.6
205.03481	1.8
205.08846	0.7
209.02986	0.8
213.00781	1.6
222.07040	0.6
222.99065	3.0
225.00665	0.7
241.00203	8.9
256.99686	5.2
267.07117	0.7
281.06622	1.7
285.04080	0.7
341.06583	0.6
384.04999	0.7
385.05429	1.1
389.37576	0.6
413.21790	9.0
414.21915	0.7
443.23007	2.1
449.27609	0.8
465.11804	1.3
472.67001	0.6
493.17468	43.5
494.17673	6.8
508.09750	0.8
523.17743	2.6
524.19843	0.8
531.11182	1.3
535.18372	1.1
575.27362	3.8
576.27551	0.7
598.26727	0.6
611.33014	1.4
655.22852	100.0
656.23206	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	653.376
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.3
55.94078	0.2
57.03449	1.2
58.00587	2.5
59.01378	42.5
60.01706	0.5
61.70655	0.2
61.98826	0.4
67.01901	0.2
68.99825	0.3
69.03455	2.4
69.41497	2.1
71.01384	38.5
72.01727	0.5
72.99314	3.0
73.02950	6.1
75.00875	1.1
81.03464	1.7
83.01390	4.7
83.05025	0.3
85.02959	9.0
86.00104	0.3
87.00880	9.3
87.04513	0.3
88.01237	0.2
89.02451	34.2
90.02788	0.4
91.04022	1.0
93.03477	0.3
95.01388	3.0
95.05026	0.3
97.02961	7.0
99.00880	2.5
99.04527	0.6
101.02452	31.8
102.02787	0.6
103.00389	0.5
103.04036	0.4
107.05079	0.2
109.02989	0.9
111.00887	0.8
111.04514	1.1
112.01661	0.2
113.02461	15.3
114.02798	0.3
115.04024	0.7
119.03513	9.9
120.03876	0.2
121.02968	0.8
123.00912	0.4
123.04508	0.3
124.01687	0.5
125.02460	14.0
126.02797	0.3
127.04021	0.7
129.01990	0.4
131.03537	1.5
133.05099	1.1
137.02440	0.4
139.04008	1.2
141.01958	0.4
143.03516	6.3
149.02477	0.3
149.04564	1.4
156.81335	0.2
157.05037	0.5
161.04575	7.3
162.04897	0.3
167.03473	1.1
169.05028	0.6
171.03023	0.3
172.95557	0.2
179.05624	6.4
180.05965	0.2
185.04567	0.7
199.06126	0.8
203.05591	0.4
203.70222	0.2
217.07135	1.3
219.05099	0.3
221.06625	2.1
235.08231	15.6
236.08546	0.6
237.22238	0.3
245.06665	0.9
253.09305	3.3
255.23283	100.0
256.23615	9.5
263.07712	1.6
269.24786	0.8
277.09225	1.4
287.07730	4.1
288.07886	0.2
305.08759	4.3
306.09073	0.3
323.09760	1.8
361.11322	0.7
379.12625	1.0
397.13510	95.3
398.13840	9.3
415.14557	34.0
415.18747	0.8
416.14902	3.1
653.37616	0.9
654.38293	0.2
671.11578	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.1
57.03449	1.2
58.00592	2.0
59.01379	35.9
60.01710	0.6
61.98834	1.4
68.99818	0.4
69.03455	1.8
71.01386	36.0
72.01741	0.6
72.34581	0.2
72.99317	3.4
73.02953	5.9
75.00880	0.9
78.50481	0.2
79.01925	0.2
81.03457	1.4
82.02724	0.2
83.01394	4.2
83.05035	0.2
85.02957	7.6
86.00101	0.4
87.00887	8.6
89.02454	30.2
90.02798	0.4
91.04014	0.7
93.03479	0.3
95.01397	2.5
95.05013	0.3
97.02964	6.2
97.41704	0.2
98.19875	0.7
99.00897	2.5
99.04505	0.4
101.02454	30.6
102.02794	0.6
103.04026	0.3
106.43597	0.2
109.02988	0.5
111.00874	0.7
111.04543	0.9
111.09653	0.2
113.02463	15.0
114.02808	0.3
115.04008	0.8
119.02663	0.5
119.03516	9.9
121.02975	0.5
123.00943	0.4
123.04440	0.3
124.01701	0.4
125.02465	13.2
126.02783	0.6
127.04021	0.5
129.05647	0.2
131.03494	1.8
133.05055	1.1
137.02438	0.5
139.04056	1.0
141.01949	0.6
143.03523	6.0
144.03828	0.3
145.05026	0.3
145.06194	0.2
149.02486	0.2
149.04572	0.9
157.04999	0.4
159.03107	0.2
161.04576	7.0
162.04918	0.4
167.03523	0.8
169.05121	0.4
171.02930	0.3
179.05618	6.2
180.05939	0.3
185.04543	0.4
188.93855	0.2
199.06110	0.3
203.05542	0.6
217.07124	0.9
219.05132	0.4
221.06659	2.2
229.68779	0.3
235.08221	14.8
236.08604	0.8
245.06625	0.8
253.09280	3.4
255.23285	98.6
256.23621	9.9
263.07724	1.4
269.24890	0.6
277.09286	0.9
287.07724	4.1
305.08759	4.8
323.09848	2.2
339.56635	0.2
361.11417	0.6
379.12558	1.2
397.13516	100.0
398.13849	9.8
415.14566	35.2
416.14896	4.1
653.37671	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73275	1.1
57.03434	3.3
58.00607	6.0
59.01106	1.6
59.01381	22.2
61.98817	2.9
71.01385	9.1
72.99315	1.7
73.02937	7.3
75.00874	3.6
78.95898	2.0
79.95731	1.9
83.01392	2.3
85.02958	19.3
87.00897	3.9
89.02451	5.4
95.47781	1.2
96.96019	39.6
99.00878	1.8
101.02454	4.6
103.00320	1.4
108.04566	2.0
111.00924	1.4
113.02460	8.6
115.00400	2.1
116.92756	1.6
119.08730	1.5
120.01225	3.7
121.02921	2.0
122.06151	10.0
124.07657	3.4
129.01939	2.1
131.07155	2.5
132.04567	3.8
134.03769	1.7
135.04523	3.0
140.77498	1.3
144.04561	5.2
146.06122	8.7
147.03094	3.1
148.07663	2.4
149.04549	3.8
149.06087	1.3
150.05614	5.6
160.04013	4.5
161.04710	1.4
162.05595	4.1
163.03990	2.6
164.07175	2.3
165.05533	1.6
166.02673	1.8
166.05057	2.8
167.05875	2.2
168.06712	2.1
172.04048	7.4
173.04762	2.5
174.05588	7.1
175.02496	2.1
176.03450	1.2
176.07155	5.4
179.03531	1.6
179.05730	2.2
186.05576	1.8
188.03554	2.4
188.07123	2.2
189.04367	1.8
190.05084	4.7
191.02069	6.8
195.06802	1.9
200.03354	1.4
202.05035	3.6
203.05830	1.7
204.06639	16.1
205.07335	2.1
206.08180	3.4
213.30681	1.3
216.06490	1.6
218.04437	1.5
219.05325	1.5
226.07373	2.0
227.08197	2.4
227.11952	1.6
229.13460	1.6
230.04645	1.6
231.05385	2.0
237.06355	1.9
237.10233	1.8
238.11067	2.3
239.08340	1.8
239.11824	4.1
240.08887	1.6
241.00218	3.5
241.07555	1.8
241.09590	6.6
243.11375	2.4
248.05617	3.8
249.06134	3.7
251.11850	1.9
253.06116	2.8
253.09767	3.9
253.13400	13.3
254.10399	1.8
255.11356	9.6
262.07083	2.0
266.06909	1.9
267.07510	8.2
267.11392	2.9
268.08344	3.7
269.09421	2.3
269.12918	5.8
271.14459	5.8
277.09589	1.5
279.11398	4.0
280.08606	2.5
281.09381	9.8
282.10022	4.5
283.10876	13.8
284.10925	1.5
295.07520	2.3
295.10837	12.1
296.11658	7.8
297.12418	54.0
298.12827	6.6
299.14114	1.2
309.08698	4.6
309.12109	1.7
310.09317	2.0
311.10373	2.2
311.13898	4.4
313.11996	2.9
314.09091	2.8
322.09528	1.3
323.10449	2.8
325.12042	13.1
326.12308	2.9
327.09769	2.9
328.10391	4.1
329.15012	11.3
330.15292	1.6
337.11877	5.4
339.13440	3.6
341.11243	2.1
343.13123	1.8
353.11285	4.5
355.12967	80.8
356.13342	10.7
363.10239	1.7
365.11386	1.5
367.12857	8.5
369.10901	2.5
373.14017	15.6
374.14478	2.4
381.10657	7.2
381.15063	1.8
385.14066	3.2
387.15561	4.1
388.66885	1.4
389.11798	1.6
390.23047	1.3
391.12851	3.0
399.11935	32.4
400.12296	5.8
401.13364	7.9
409.14188	2.2
411.11975	1.9
413.13477	4.8
431.14603	72.1
432.14893	10.4
443.14114	6.7
449.14209	3.1
461.15482	9.0
467.14127	1.5
473.15897	1.8
485.15674	5.1
487.16910	1.6
489.15210	8.5
491.17856	1.7
501.15250	4.8
503.16595	4.7
521.17712	100.0
522.18121	16.3
531.16138	41.4
532.16431	6.1
533.25452	1.8
543.16132	5.6
549.29242	1.6
563.18829	6.4
577.16791	5.7
585.16925	3.3
603.18097	4.2
621.19580	83.8
622.19891	16.7
653.22327	42.3
654.22357	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	652.348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08704	0.5
52.30564	0.4
52.70758	0.4
58.36102	0.4
59.01377	4.3
61.98830	6.9
62.88760	0.4
62.96402	0.5
71.01374	1.1
71.41320	0.9
73.02990	0.5
78.95908	100.0
83.01388	0.4
85.02969	0.8
87.14874	0.4
89.02477	0.6
93.03491	0.4
96.96044	1.9
96.96969	10.1
101.02469	0.5
113.02523	0.7
122.98544	0.9
127.11341	0.7
152.98354	0.8
152.99609	16.1
167.14400	1.3
168.13916	1.5
171.00656	21.8
172.01021	0.4
194.05870	1.4
211.13416	0.9
229.14384	1.7
241.18079	2.2
268.09512	4.2
271.02451	0.6
287.03391	0.5
300.02606	0.5
366.16855	1.1
369.92966	0.5
401.95917	0.4
466.31906	0.4
485.31488	0.5
532.78021	0.5
578.31104	1.1
589.65216	0.5
648.64539	0.4
652.34747	61.4
653.35040	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	649.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	4.8
59.01094	3.6
59.01381	60.1
60.01688	2.2
61.98828	17.0
65.82611	1.8
69.03461	2.9
69.40295	22.3
71.01389	21.6
72.96664	2.1
72.99312	5.3
73.02945	9.1
75.00860	6.3
78.95921	4.9
79.95747	5.8
80.05074	7.5
83.01405	5.2
83.05054	1.8
85.02959	20.9
87.00896	4.8
88.04054	2.5
88.98782	2.7
89.02452	5.8
94.03003	17.0
94.06622	2.7
95.05042	3.1
96.96025	43.2
97.06599	3.0
98.95552	3.2
99.00874	5.1
101.02480	9.9
106.06639	25.8
107.03765	3.0
107.06972	2.0
108.04557	5.1
108.08204	8.1
110.02489	3.4
110.06088	2.6
111.00906	2.7
113.02452	13.1
115.00327	5.2
116.92869	3.8
118.06626	2.9
118.87254	2.1
119.05033	3.9
120.01268	2.6
120.08216	31.6
122.06149	28.9
123.04527	4.6
124.07673	11.6
125.02477	5.3
129.01971	4.1
131.03680	2.4
134.06131	7.6
135.04552	2.2
136.04073	5.5
136.07684	4.1
138.05637	22.7
140.07083	2.4
144.04568	4.5
146.06113	7.1
147.06851	2.0
148.04066	4.6
148.07698	3.2
150.03149	2.4
150.05608	8.7
152.01205	2.1
152.07204	51.3
153.07443	3.0
160.04097	3.7
160.07713	3.4
161.02460	2.1
162.05667	3.4
162.09264	2.4
163.03967	2.7
164.07193	3.3
165.01915	2.0
165.05533	2.1
168.06645	4.0
169.01381	3.8
172.07578	2.4
174.01750	4.3
174.05643	4.4
175.02495	4.2
177.01900	2.9
178.02650	2.4
178.05112	5.6
179.03613	2.3
179.10760	2.5
186.12851	4.0
188.14442	2.6
191.01993	5.9
193.05089	7.7
196.06163	39.4
196.07877	2.6
200.10754	2.3
202.08788	2.0
203.05852	2.5
204.06485	2.6
212.09210	2.1
214.12431	2.5
215.09491	2.4
215.11713	2.5
225.14027	2.3
227.08313	2.3
227.11852	10.8
228.10376	3.7
229.11111	2.4
230.11818	7.5
232.13490	2.1
236.09473	2.6
237.10309	3.1
239.08211	2.3
239.11877	9.4
240.09041	4.1
241.00203	2.6
241.09816	2.5
242.11728	2.8
243.11023	2.1
244.13506	4.0
247.08499	3.0
249.06091	2.3
251.11803	16.5
252.12602	2.5
253.09929	11.7
253.13332	3.8
254.10339	2.8
255.11404	35.7
256.11832	3.1
257.12921	29.0
258.13397	2.9
263.08261	3.1
264.08835	3.3
265.09827	3.3
265.13303	3.0
267.07321	3.0
267.11414	4.4
269.12927	8.6
271.10925	2.6
271.14465	8.1
274.10715	6.7
276.09119	3.4
276.12247	3.5
277.09875	13.3
278.10571	4.6
279.11441	4.2
281.09457	2.4
281.13098	4.1
283.10910	16.8
283.13837	3.1
284.11459	2.2
285.12421	21.1
286.12830	2.8
291.11517	16.5
292.12173	16.2
293.12949	12.8
294.13614	3.2
295.10892	6.9
296.11569	3.7
297.12466	8.7
299.10312	6.2
299.14011	8.3
301.11972	10.4
303.13480	7.9
315.13522	4.5
325.11929	2.3
335.10449	5.8
336.11221	5.2
337.11789	6.1
343.12888	13.4
344.13571	4.2
360.17087	2.4
374.18698	7.8
376.20224	6.5
416.19904	5.4
418.17642	5.9
420.19165	5.5
448.18439	12.0
450.20474	11.9
460.18823	14.7
461.19308	5.6
471.25076	2.6
492.22141	40.7
493.21252	7.1
494.19272	31.5
495.19672	5.5
517.29999	5.5
525.24933	17.3
526.25549	2.7
529.29926	4.7
543.25696	3.7
544.24402	16.5
545.24249	3.3
555.25873	4.1
557.24451	3.7
569.24091	56.8
570.24469	15.0
573.28009	4.6
587.25165	100.0
588.25195	26.6
589.26538	7.4
590.27289	2.6
599.25220	9.1
605.27631	3.2
613.23059	7.1
617.26318	31.8
618.26624	7.4
631.24249	55.8
632.24731	9.8
649.25995	56.4
650.25580	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	649.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.9
57.03458	4.2
58.00606	0.8
58.84875	0.7
59.01380	31.0
61.98849	4.3
68.99820	1.9
69.03453	2.1
71.01385	22.7
72.99313	4.7
73.02946	2.9
75.00877	13.9
79.95748	3.1
81.03482	1.2
83.01406	1.3
83.05019	1.4
85.02964	21.5
87.00877	9.6
89.02449	7.1
95.01401	4.7
95.95238	2.0
96.96021	21.0
97.02980	0.8
98.95600	2.4
99.00894	8.8
99.04532	1.4
101.02456	3.0
103.00406	2.5
107.05026	1.4
111.00903	1.0
111.04565	0.9
112.01684	1.2
113.02462	31.1
115.00408	2.6
117.01987	1.7
125.06139	0.8
129.01970	2.7
131.03511	1.9
149.04594	3.3
157.01395	1.5
161.09773	2.2
161.13414	2.1
163.11304	1.5
165.05548	1.0
169.08775	1.9
170.09122	0.9
175.02507	2.8
177.05637	1.6
179.10828	1.8
180.04327	2.1
181.05063	4.5
181.08739	1.2
187.11325	2.7
189.04123	0.9
189.05870	0.8
189.09364	1.4
191.01997	1.5
191.05719	0.8
205.07214	1.3
205.12410	2.5
207.05125	1.4
207.10333	1.3
222.98990	0.8
223.13417	2.5
229.45081	1.2
231.05176	1.0
241.00246	2.4
242.00685	0.9
242.99825	1.9
249.06126	15.2
267.07187	37.6
268.07623	2.6
269.81952	0.8
283.41272	0.8
301.03513	1.3
311.55978	1.0
335.12469	1.5
341.16211	1.3
343.10495	3.9
433.07446	1.4
437.07455	1.9
455.19284	1.5
473.20370	1.6
499.18460	2.6
517.19238	100.0
518.19678	13.5
605.26068	1.9
631.21381	0.9
649.23877	49.0
650.24225	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	649.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.8
57.82727	0.4
58.00613	0.9
59.01378	23.4
59.91529	0.4
61.21648	0.4
61.98863	0.7
67.01920	0.5
68.99853	1.3
69.03497	1.3
69.49975	2.9
69.50378	0.8
69.94156	0.4
71.01384	18.9
71.04032	0.4
72.99317	4.1
73.02945	2.9
75.00882	12.5
79.95785	0.5
83.01427	1.1
83.05057	0.8
85.02956	20.0
86.03326	0.5
86.47295	0.4
87.00388	0.4
87.00881	8.6
89.02451	6.2
89.73152	0.4
91.04053	0.9
93.03490	0.6
93.96968	0.4
95.01397	4.8
96.18671	0.4
96.89650	0.4
96.96035	3.0
98.20138	1.6
99.00887	7.3
99.04579	0.9
100.01254	0.4
101.02505	1.5
103.00393	2.3
107.05081	0.8
109.03040	0.4
109.06649	0.5
111.00950	0.5
112.01703	0.6
113.02461	29.1
114.02840	0.7
115.00439	1.5
115.04115	0.5
117.02009	1.8
126.41130	0.4
127.04124	0.5
127.27419	0.4
129.01956	2.4
131.03615	0.8
135.04523	0.9
135.11827	0.5
139.07771	0.7
149.04544	2.1
157.01486	0.9
161.09711	2.8
161.13351	2.0
163.11363	1.6
164.98795	0.4
175.02586	2.0
179.10834	0.7
187.11250	2.2
189.09259	1.0
205.07222	0.6
205.12302	3.1
207.05185	1.5
207.10278	0.9
213.47009	0.5
223.13490	1.1
226.67889	0.4
231.05112	0.8
249.06154	12.3
249.79436	0.4
250.06596	0.8
257.13928	11.7
258.14310	0.8
266.16171	0.4
267.07196	42.8
268.07556	2.0
341.15915	0.7
423.12500	0.4
455.19406	0.9
457.17349	1.2
499.18057	2.1
517.19220	100.0
518.19531	15.5
631.22412	0.6
649.23547	31.8
650.14526	0.4
650.24170	6.1
650.33893	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63874	0.5
59.01373	4.2
61.98825	4.0
69.66689	3.9
71.01355	1.9
82.02991	3.4
84.04569	0.7
85.02941	1.4
89.02434	0.9
94.02995	47.4
95.03294	1.5
95.03807	0.9
95.91252	0.6
96.04565	3.1
96.96014	4.5
98.20193	2.2
99.00853	1.2
101.02431	1.1
105.05820	2.0
106.06576	0.6
108.04549	2.7
110.06093	1.7
120.08204	34.6
121.08532	1.4
122.06076	1.9
124.07670	4.5
133.06595	0.8
134.06126	0.7
136.03989	1.6
136.07767	0.6
137.04799	2.3
138.05632	24.3
139.06018	0.7
144.03677	0.6
144.04573	5.2
150.05573	1.7
152.07153	1.2
160.04039	0.9
161.04767	1.7
162.05566	2.3
164.07173	3.8
172.03978	0.7
173.04808	1.4
174.05594	3.5
188.03506	2.3
189.81117	0.6
191.01962	0.7
199.08856	0.7
200.07101	0.9
203.05908	6.0
209.10741	0.7
215.11909	2.1
217.13446	1.5
222.07922	1.4
223.08775	3.4
223.12326	0.8
224.09467	0.7
227.11893	0.7
234.15132	0.7
236.09573	4.4
237.10268	5.1
238.11078	0.7
239.08163	0.6
239.11832	1.7
241.13585	0.7
248.09517	1.1
249.10205	2.9
249.13904	1.6
250.07466	2.3
250.11095	2.9
251.11900	28.4
252.12267	3.9
253.09863	0.8
254.10535	0.8
257.12808	1.0
261.12466	1.4
262.07455	1.0
262.11005	1.1
263.08334	4.6
263.11792	6.2
264.08923	4.2
264.12479	1.8
265.09680	1.5
265.13400	5.6
266.10577	1.4
266.13852	0.9
267.11346	0.9
267.14941	0.8
268.08377	1.6
269.09265	1.3
275.11710	1.1
276.08990	4.9
277.09811	25.1
278.10519	10.2
279.11279	4.0
280.11981	0.8
281.13034	0.8
282.10052	1.4
283.10822	1.0
284.11636	0.7
285.12390	2.7
291.11383	32.3
292.12131	39.3
293.12897	26.6
294.10440	0.9
294.13306	3.4
295.10797	1.8
296.11484	2.2
297.12158	1.3
303.13553	3.0
306.10110	1.1
307.10736	0.8
310.09619	0.7
311.13971	0.8
318.10010	1.2
319.10910	2.7
323.10052	0.8
324.11221	7.3
324.14801	1.2
325.11725	1.7
325.15472	1.0
327.13464	3.4
335.10342	13.7
336.11087	12.9
337.11862	7.7
338.12500	1.2
344.13828	0.8
346.15561	2.4
348.17062	0.9
350.17075	0.8
356.14099	0.9
360.17249	1.3
361.17877	1.3
372.20834	0.6
374.18835	7.4
375.19507	3.5
376.20248	2.2
379.15198	0.7
387.15579	1.2
388.16495	2.7
389.17288	0.8
400.16925	0.9
401.17670	1.0
402.18094	1.3
404.19510	0.8
414.18204	1.0
415.18979	1.3
416.19870	14.6
417.20166	5.0
420.19232	9.0
421.19800	1.2
430.17450	0.9
434.21002	2.9
442.17731	2.2
443.18323	2.6
448.22375	2.2
460.18777	29.1
461.19470	15.0
461.25790	0.7
462.19864	1.7
471.24075	0.9
480.21643	1.1
492.21384	100.0
493.21759	17.6
513.25006	4.3
514.25647	0.8
519.78131	0.7
531.25726	2.2
555.26050	3.6
556.26581	0.8
557.24066	8.0
558.24915	1.3
573.27393	5.1
574.27802	1.3
589.26642	14.6
590.27045	3.3
599.25116	18.1
600.25488	3.6
617.26270	57.5
618.26770	11.4
631.27881	15.9
632.27795	3.5
649.28949	43.4
650.29285	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	647.274
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84099	1.1
57.03449	1.8
59.01099	1.5
59.01382	25.5
61.98561	1.2
61.98832	13.3
62.34255	1.0
64.94059	1.1
69.03470	1.3
69.29402	1.1
70.20720	5.5
70.60013	1.1
71.01389	11.4
72.99319	2.7
73.02947	4.0
75.00858	2.4
78.95914	1.4
79.95739	3.1
83.01417	2.0
85.02946	7.9
87.00886	3.3
89.02456	3.5
93.03434	1.2
95.95217	1.7
96.96017	28.3
98.20065	2.2
98.20605	1.9
98.95602	2.3
99.00883	3.1
101.02475	6.1
103.00327	1.2
106.06615	1.8
107.03754	1.8
108.04543	1.7
110.06092	2.6
111.04572	1.4
113.02455	6.6
115.00359	1.1
120.08182	5.1
121.05372	1.5
121.88109	1.3
122.06131	21.5
124.07734	2.1
134.03769	1.3
134.06129	5.2
135.04549	1.5
136.07703	18.7
137.29843	1.2
138.05627	1.3
144.04523	3.1
146.06168	1.8
148.07674	1.3
150.05653	1.7
152.07190	1.9
160.04012	2.6
161.04716	5.0
162.05586	3.9
165.05563	1.8
174.05580	2.0
180.06714	6.3
188.03525	1.8
188.07117	3.1
193.03676	2.7
193.05205	2.5
201.11278	3.9
203.05928	6.6
209.11761	3.8
213.10432	2.2
215.11934	1.3
225.10149	1.9
237.10249	1.9
238.07397	4.2
239.08237	2.7
239.11855	4.9
241.13507	3.5
242.10760	1.1
251.08202	2.7
252.09001	11.6
253.09811	6.8
254.10350	1.7
255.11339	2.0
257.12823	1.4
264.09006	1.3
265.09735	5.5
265.13297	1.4
267.11368	91.2
268.11859	11.6
269.12875	4.2
276.09109	1.6
277.09567	1.1
279.07999	1.5
279.11325	2.8
281.09369	1.7
283.10892	4.0
284.07922	5.6
285.12540	1.3
291.11276	8.3
293.09247	3.9
293.12646	1.5
295.10770	2.4
297.52484	1.2
298.09564	2.0
300.11185	16.0
301.11829	6.3
302.12286	2.1
303.13443	4.1
307.10883	5.6
308.11694	8.0
309.12268	3.4
311.10379	5.9
313.11789	2.6
319.13208	2.7
325.11777	3.2
327.13528	2.0
335.10333	2.3
340.10556	4.7
343.12924	9.5
344.09778	1.4
362.14941	2.0
374.15097	3.3
376.16565	2.2
377.17554	9.2
378.17819	2.2
388.16757	1.4
389.17404	25.3
390.17780	5.4
391.15250	1.2
398.15060	1.3
399.23676	3.6
407.18552	5.9
413.17450	2.2
418.17783	2.1
421.16330	4.9
430.17700	7.9
433.16299	5.3
448.18997	7.2
449.19299	1.5
451.17441	15.1
452.18005	4.1
475.16519	1.5
480.17139	1.9
492.17709	25.0
493.18005	4.9
506.19568	1.7
511.23581	4.2
512.20099	1.8
515.20880	1.5
515.28137	2.5
522.10974	1.5
524.20349	28.8
525.20496	5.2
529.24506	5.1
543.28540	1.8
547.25446	3.9
553.24469	3.4
555.22833	7.8
571.25238	5.2
573.23584	100.0
574.15692	2.0
574.23993	22.7
597.23724	5.6
615.24957	17.2
616.25000	3.8
629.26147	3.7
647.27209	24.6
648.27625	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	647.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.8
57.39370	0.6
59.01381	13.2
59.01633	1.1
59.80249	0.7
60.54017	0.7
61.98846	3.4
70.86668	1.6
71.01403	2.2
73.02966	0.9
75.00894	1.3
85.02995	1.6
89.02503	1.3
94.02998	4.5
94.06660	1.5
95.03799	0.7
96.96021	5.7
99.00885	1.4
99.04572	0.9
100.53236	0.6
101.02505	1.6
106.06673	1.5
108.04586	2.7
109.02937	0.7
112.04052	0.9
113.02477	1.0
120.04600	1.1
120.08231	2.7
121.05409	1.0
122.06116	4.7
123.03311	1.6
124.04066	5.2
124.07703	4.0
125.02469	1.3
130.06721	1.0
134.06165	0.8
136.04074	6.9
137.04860	2.2
138.05634	6.8
142.06633	1.0
144.04617	3.1
147.05692	3.0
150.05635	5.6
160.04089	1.6
161.03650	1.6
161.04861	3.9
162.05615	2.3
168.06714	2.3
169.01509	1.4
173.04893	1.6
174.05637	5.8
175.05153	3.6
186.12933	1.1
187.06384	1.2
188.03630	1.1
193.03880	2.7
199.08795	1.8
201.10335	14.5
202.05263	0.7
202.10748	1.2
202.12491	1.2
203.05951	3.2
204.06592	1.1
211.08815	1.6
213.10329	8.8
215.11949	1.0
217.13519	3.9
223.08723	1.5
224.09605	1.0
227.11914	4.7
229.09827	23.5
229.13383	9.5
230.10167	1.8
237.10333	2.2
239.11911	9.4
240.12241	0.9
241.09836	2.4
241.13417	2.1
243.11296	1.2
245.13008	1.9
247.10706	4.3
249.10347	1.0
255.02959	2.0
255.11372	5.7
257.13007	7.0
266.10318	1.0
267.07074	0.8
267.11386	3.2
268.11832	1.1
273.09601	1.2
273.12408	7.0
275.14084	1.9
278.10483	1.1
279.11380	1.2
283.02502	5.6
283.10925	1.0
284.02887	1.0
285.04108	2.2
285.12430	10.3
286.12708	1.3
289.12027	5.8
291.11478	2.5
293.09488	1.1
295.10837	1.0
297.12378	1.0
301.11942	22.0
302.12332	2.3
309.12482	1.9
314.09558	0.9
316.14655	1.0
317.11685	1.4
317.15292	1.0
318.15564	0.8
319.12997	100.0
320.13272	8.1
327.13535	10.1
328.10748	0.9
329.12070	1.3
330.12509	2.8
331.09488	0.8
332.14209	0.9
342.12387	0.9
343.13278	1.3
344.14145	1.8
345.14716	1.2
346.11917	3.1
346.15399	1.3
354.12640	1.0
358.15704	2.0
359.12714	1.8
360.17078	1.4
364.16388	1.0
370.15863	1.4
371.12723	0.8
372.13367	4.3
373.14200	1.8
374.15137	1.7
376.16586	2.0
377.13675	5.8
378.14038	0.9
379.18753	1.2
386.15152	5.7
387.15903	1.4
388.16705	4.5
389.17325	1.5
390.14478	2.1
391.15259	0.9
400.16986	1.7
403.15137	2.5
403.72092	0.8
404.16190	9.1
405.16800	5.2
406.17609	2.3
414.14642	2.9
416.16061	1.6
418.14059	2.1
419.14777	2.4
428.16025	1.2
429.16925	2.1
430.09024	2.2
430.17456	1.7
431.09479	0.9
432.15585	5.3
433.15851	1.1
437.15820	5.1
438.16638	1.2
446.17084	3.0
447.18008	2.9
450.16321	1.0
462.16428	0.8
490.16266	1.1
492.17850	1.8
503.26520	2.9
511.23419	3.2
515.21411	3.2
524.20349	3.0
529.24542	28.0
530.24731	5.5
543.22601	0.9
547.25549	1.5
553.24518	8.6
554.24799	1.2
571.25647	66.6
572.25916	12.3
573.23370	1.1
574.24371	5.3
575.24976	2.0
597.23608	1.8
603.28217	2.1
615.24738	57.9
616.25122	11.8
647.16565	2.9
647.27167	33.4
648.27319	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	647.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17630	0.5
59.01378	5.3
61.27895	0.5
61.98871	1.9
71.01440	1.9
71.19214	1.4
73.02983	1.2
75.00923	0.7
78.95927	0.8
79.63680	0.5
79.95769	0.6
80.05106	0.7
85.03017	1.7
89.02503	1.1
94.03021	0.5
94.06669	1.2
96.96008	4.3
99.00917	0.9
100.69698	0.5
106.06708	1.8
107.03853	1.9
108.04572	3.9
110.06143	4.6
116.05251	0.6
118.06699	0.7
120.08232	0.9
121.05427	1.3
122.06136	19.8
125.02522	0.7
134.06157	6.7
136.07690	4.9
138.05629	0.7
144.04640	1.8
146.06192	3.1
148.07751	1.2
152.07213	3.6
158.06284	0.6
159.06946	0.8
160.04115	1.3
160.20325	0.5
161.04858	1.1
162.05692	1.7
173.04887	1.2
174.05618	3.3
180.06665	18.7
181.07077	1.1
186.05626	0.8
187.06461	1.3
188.07191	11.1
191.07179	1.0
201.10446	1.6
203.05876	1.0
203.11940	0.9
210.08043	0.9
211.08855	1.0
213.10385	2.5
215.12013	2.4
223.08856	1.6
224.09566	1.7
225.10371	1.2
226.10945	0.6
233.12990	0.6
236.09689	1.0
237.10318	3.8
238.07587	1.0
238.11142	2.2
239.08214	0.7
239.11855	9.2
240.12547	1.5
241.13487	3.7
249.10544	0.8
251.08264	2.9
251.11852	2.7
252.08925	1.2
252.12729	0.8
253.09909	1.6
263.11938	1.8
264.09097	2.5
264.12354	0.5
265.09808	9.0
266.10519	2.6
267.08575	0.7
267.11340	4.8
277.09851	1.0
278.07254	0.8
279.07806	2.8
279.11432	5.6
280.09079	0.8
280.12180	4.6
281.09366	2.0
281.13034	2.1
283.11002	1.5
285.12488	4.5
289.09833	1.0
290.10559	1.7
291.11337	5.1
292.08554	1.3
293.09360	8.6
293.12546	1.0
294.09918	0.9
295.11078	0.6
298.09714	2.0
306.10165	0.8
307.10910	17.6
308.11642	32.5
309.12265	9.4
311.10382	3.4
312.11160	2.3
319.13077	1.5
324.11017	1.0
325.11914	0.7
340.10657	17.5
341.10922	1.5
343.13431	0.7
351.09924	1.9
352.10846	2.9
353.11444	1.6
360.17383	1.1
362.19000	1.0
370.15735	0.9
388.16660	1.9
390.18289	0.7
394.17862	0.7
399.24036	0.7
402.18600	1.3
406.17767	1.5
412.16501	1.2
413.17532	0.6
418.17792	4.5
419.18100	1.2
424.18707	1.1
430.17691	20.1
431.18085	3.0
444.15485	0.9
446.17191	0.8
448.12619	1.2
448.18805	21.0
449.19177	2.3
451.17474	0.9
456.15799	1.5
462.16776	0.8
464.18250	1.4
474.16687	5.0
475.17340	1.1
490.20004	1.3
492.17749	75.1
493.17899	12.7
494.18860	0.6
496.20862	2.3
506.19370	5.8
507.19699	1.0
524.20331	100.0
525.20636	18.4
535.23456	0.7
553.24475	2.3
571.25134	0.7
597.23541	3.4
598.23798	0.6
615.24634	7.3
616.24628	1.7
629.26501	3.4
647.27423	6.8
648.26929	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.7
59.01382	1.7
69.03461	0.4
69.60049	1.8
69.60463	0.4
71.01384	2.0
72.99314	0.5
73.02960	0.7
74.02495	0.3
75.00905	0.3
78.55447	0.2
79.95741	4.2
80.96518	2.9
83.01403	0.7
85.01054	0.3
85.02966	2.6
87.00871	1.1
89.02428	0.5
91.01898	1.5
95.95243	0.9
96.96020	100.0
97.95935	0.4
98.20169	1.0
99.00877	0.9
101.02450	1.7
109.02956	2.0
111.00871	0.5
112.98810	0.7
113.02461	0.8
115.00394	0.4
115.02107	0.3
121.03006	0.3
122.97639	0.6
123.04575	0.4
125.02402	0.3
129.01888	0.6
134.03687	0.3
135.00890	4.3
135.01906	0.3
137.02492	0.4
138.97092	8.3
143.03461	0.5
145.01440	0.9
149.02460	0.8
150.97076	0.8
151.04008	0.3
153.01970	2.8
161.02495	0.3
161.04503	0.4
163.03967	0.5
164.04739	0.4
164.98656	1.0
168.98108	0.5
177.01915	1.5
179.07137	0.4
180.98111	0.7
187.00752	2.3
191.01932	0.3
191.07217	0.3
192.04164	0.3
193.05013	0.3
193.12323	0.4
195.13838	0.7
205.03525	0.8
207.02931	0.8
211.13560	0.3
222.99141	1.7
241.00233	38.4
242.00533	1.5
243.06427	0.4
247.06004	0.3
249.07611	0.7
261.08029	0.3
263.05807	0.5
264.36395	0.2
273.07565	0.3
276.06479	0.3
291.08691	1.3
297.06131	1.1
303.08755	0.3
323.13321	1.3
377.01788	2.2
399.09052	0.3
432.79700	0.3
459.11218	0.6
485.07562	5.4
539.06873	0.5
603.13904	0.8
615.12756	0.3
647.12933	35.0
648.13281	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17356	0.4
55.49870	0.4
57.03446	1.1
58.27075	0.3
59.01370	3.6
61.98818	0.7
68.99810	1.1
71.01388	3.6
71.72306	0.7
72.99329	1.7
73.02945	1.2
74.02457	0.4
75.00889	0.7
79.95739	3.6
80.96542	2.4
83.01382	1.4
85.01024	1.4
85.02956	4.1
87.00887	1.7
88.98827	0.6
89.02460	0.9
91.01914	1.5
95.95222	0.5
96.96023	100.0
97.95947	0.5
98.00132	0.6
99.00894	1.7
101.02481	2.1
103.00381	0.4
109.02971	1.5
111.00907	1.4
112.98827	3.6
113.02492	0.9
114.98452	0.6
115.00379	0.9
115.02053	0.5
121.02954	0.5
121.74086	0.4
124.98827	0.5
125.02468	0.8
129.01987	1.3
135.00899	3.7
137.02484	0.8
138.97102	8.4
142.99843	1.1
143.01514	0.5
143.03539	0.6
145.01497	2.1
149.02473	0.9
150.97092	0.7
151.04073	0.5
152.01161	0.5
153.01982	2.8
157.01463	2.0
157.03000	0.4
161.02480	0.5
163.04001	1.2
164.04782	1.3
164.98584	0.7
165.05548	0.7
166.02872	0.4
168.98138	1.0
169.01584	0.4
171.01076	1.9
173.00899	0.4
175.04041	0.5
177.01952	2.3
177.05554	0.4
178.06319	0.7
179.07147	2.2
180.98116	0.7
181.05089	1.2
187.00703	2.2
187.02316	0.7
191.02005	0.6
191.03503	1.1
193.05070	1.1
195.13962	0.4
198.99112	0.6
205.05093	0.8
207.03152	0.7
217.01456	0.4
219.03018	1.1
221.08131	0.7
222.44186	0.4
222.99162	1.7
231.03069	1.5
232.03812	0.5
234.05347	1.6
235.05943	0.4
241.00229	37.3
242.00607	2.0
245.04459	0.5
246.05405	0.9
247.06050	1.2
249.07666	2.2
261.07767	1.3
263.05795	4.3
263.08578	0.6
273.07767	0.6
276.06320	0.9
279.08960	0.5
291.08737	3.6
297.06219	0.9
303.08771	0.6
309.09729	1.1
317.08392	0.8
321.09976	0.9
323.13547	2.7
335.09439	1.4
365.10440	0.4
377.01776	1.8
410.56296	0.4
459.11429	0.5
485.07510	5.1
486.07959	0.5
603.16199	1.3
604.17719	0.4
615.13763	0.6
647.15308	53.3
648.15881	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	645.258
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83945	0.2
59.01101	0.3
59.01378	4.0
61.98827	0.3
67.01890	0.5
70.11761	0.8
71.01373	0.5
73.02954	0.3
79.05537	0.2
84.04555	0.3
85.02962	0.3
95.05022	0.6
95.95227	0.2
96.96024	1.5
98.20421	0.3
107.03799	0.2
108.04593	0.4
110.06152	0.3
120.04566	2.6
121.05360	2.2
122.06135	6.1
134.06140	2.0
135.06944	1.0
136.07700	10.6
137.08054	0.5
144.04581	1.3
146.06119	0.3
148.07719	0.4
150.05586	0.2
158.06180	0.2
160.06390	0.3
161.07219	1.3
162.05627	0.9
171.11821	2.1
172.07639	0.2
174.05579	0.3
183.28488	0.2
184.07649	0.2
186.09207	0.6
188.03590	0.4
189.10387	0.3
198.09305	1.5
199.10037	1.5
200.05893	0.3
203.05902	2.2
204.06708	0.4
212.10709	0.2
212.59528	0.2
213.06647	0.2
214.07524	0.6
214.12373	11.5
215.12685	0.8
216.09073	0.2
225.06697	0.3
226.07430	0.6
227.08253	2.3
228.09032	1.0
229.09825	5.2
230.11922	4.0
231.12111	0.2
239.11775	0.3
241.09814	7.6
242.10599	15.0
243.10910	1.4
256.12137	0.7
257.12939	82.0
258.13263	6.9
262.49387	0.2
269.04263	0.2
279.11514	0.2
281.09521	0.2
283.11047	0.4
300.11221	0.4
301.11935	100.0
302.12262	9.5
311.10327	0.2
313.11914	0.3
325.11899	0.8
343.13010	5.2
344.13443	0.5
449.86816	0.2
473.22443	0.2
523.19580	0.3
541.20630	0.5
569.23157	0.3
573.23676	0.4
601.27380	0.4
613.23004	0.5
645.24945	1.0
646.25940	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68584	0.2
51.34693	0.2
51.80742	0.2
57.03418	0.3
57.23903	0.2
59.01098	0.5
59.01376	5.7
59.74444	0.2
61.98831	1.5
62.82834	0.2
67.01891	0.7
69.51279	2.4
71.01394	1.7
72.99301	0.5
73.02931	0.5
78.95900	0.3
79.05534	0.3
79.95724	0.9
81.32305	0.2
85.02965	1.5
89.02440	0.6
93.03420	0.4
94.02956	0.3
94.06613	0.3
95.05028	0.7
95.95229	0.4
96.96018	6.0
98.20193	1.0
98.95581	0.4
99.00889	0.4
101.02446	1.0
102.97813	0.2
106.06618	0.4
108.04528	0.4
109.02962	0.3
113.02444	0.8
119.04993	0.2
120.04560	2.3
120.71605	0.2
121.05377	1.8
122.05326	0.4
122.06139	5.8
123.04456	0.3
125.02449	0.2
129.01917	0.3
132.04468	0.4
134.06131	1.9
135.06934	1.1
136.07697	10.4
137.08015	0.5
138.05652	0.3
144.04543	0.8
148.07680	0.6
149.04541	0.8
150.05627	0.3
150.79979	0.2
157.57782	0.2
159.05644	0.2
161.04634	0.5
161.07191	0.8
161.13470	0.3
162.05620	1.0
165.01964	0.4
171.10417	0.3
171.11790	1.8
179.05716	0.3
184.07698	0.4
186.09207	0.7
188.03572	0.5
189.10315	0.3
195.06558	0.3
198.09283	2.1
199.09995	1.7
203.05917	2.3
204.06648	0.5
213.10512	0.2
214.07301	0.3
214.12364	10.7
215.12631	0.8
220.64279	0.2
225.06808	0.3
226.07552	1.2
227.08249	2.1
228.08955	0.7
229.09813	3.9
229.13557	0.3
230.09863	0.4
230.11861	3.8
239.11911	0.6
241.09828	10.9
242.10580	13.4
243.10974	1.2
251.37985	0.3
255.11409	0.3
256.12155	1.2
257.12936	72.9
258.13260	6.0
274.09488	0.4
281.08905	0.4
283.10876	0.9
300.11096	1.1
301.11932	100.0
302.12274	7.8
311.10205	0.3
325.11887	0.8
343.12949	3.8
344.13345	0.5
444.19370	0.2
469.20795	0.5
496.20883	0.3
513.20618	0.6
513.27448	0.4
559.27557	0.4
569.24408	0.7
601.27399	0.6
613.23700	1.4
614.22968	0.3
644.35791	0.2
645.24756	3.9
646.25165	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99800	1.0
57.03445	1.5
58.11951	1.0
59.01379	23.2
61.98834	16.2
69.03462	1.5
71.01386	7.3
71.73152	1.1
72.99308	1.8
73.02939	3.3
78.95914	1.1
79.95737	1.8
83.01387	1.3
85.02952	3.2
85.79977	0.9
87.00881	1.6
89.02463	5.1
95.01379	2.1
96.96023	13.3
99.00868	1.6
101.02454	6.1
108.04586	1.2
110.06113	1.1
113.02460	3.2
119.03516	1.3
120.08170	1.6
122.06127	2.6
136.07780	1.1
146.06129	1.8
148.07689	3.5
153.12688	1.1
160.04118	1.1
161.04733	4.1
162.05602	3.4
172.04054	1.7
174.05565	1.3
185.00970	1.3
197.11865	2.0
204.06715	6.0
212.05899	8.8
225.06581	2.4
225.10280	1.2
237.10359	6.5
239.08121	5.2
240.08878	3.3
241.00084	2.1
251.11862	1.1
252.12672	7.0
253.06140	8.8
253.09836	7.7
254.10434	1.7
255.11298	4.4
266.06897	2.8
267.07687	11.1
267.11307	4.4
268.08560	7.2
268.12000	5.3
269.12900	3.2
271.14447	3.3
278.10593	1.6
279.07776	3.5
279.11349	3.0
280.08533	6.9
281.09299	18.9
282.09766	2.5
285.08813	2.6
295.10849	16.2
296.11639	20.8
297.12369	6.8
298.09488	1.3
299.10388	7.0
300.11023	2.3
313.11926	3.0
319.21243	1.5
325.12042	1.6
327.13577	5.1
328.14029	1.4
339.09970	2.6
340.10651	4.7
372.13312	4.1
373.13809	4.5
390.14499	5.3
391.15051	2.2
400.17297	1.3
404.16129	3.0
418.17804	1.4
419.18723	1.7
422.17422	2.3
423.17310	1.2
431.26642	1.9
434.13556	3.1
450.75375	1.0
463.17661	2.1
466.16266	3.6
481.26617	2.1
495.20041	14.4
496.20496	3.2
497.20874	1.3
539.28766	1.1
611.25366	12.8
612.25555	3.0
643.27783	100.0
644.27795	24.4
644.36578	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	645.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.8
57.27426	0.3
59.01144	0.5
59.01377	12.6
61.98833	3.9
67.01889	0.6
69.03442	0.5
71.01393	4.1
71.28459	0.8
72.99310	0.5
73.02949	1.6
78.95891	0.6
79.95744	1.1
80.96530	0.4
83.01403	0.6
85.02956	2.2
87.00893	1.0
89.02438	1.5
93.03452	0.5
95.05032	0.5
95.95243	0.5
96.96021	11.6
97.02940	0.4
99.00896	1.0
99.54348	0.3
101.02443	2.5
103.00406	0.6
106.06647	0.5
108.04571	0.6
113.02509	2.3
115.00365	0.5
120.01279	0.6
120.04556	2.2
121.02979	0.4
121.05363	2.5
122.06127	5.9
125.02444	0.8
129.01952	0.4
134.06166	1.9
135.04547	0.6
135.06885	1.5
136.07698	11.3
137.02432	0.5
137.08044	0.7
143.03502	0.4
144.04582	1.0
146.06041	0.4
148.07695	0.6
149.02411	0.4
149.04533	0.4
149.06129	0.6
150.05554	0.4
151.00409	0.6
161.04646	1.0
161.07219	0.9
162.05626	1.2
162.81100	0.4
171.11765	2.1
176.01192	0.7
186.09285	0.5
188.03445	0.6
189.10294	0.4
191.01949	0.6
191.03448	0.7
198.09236	2.3
199.09991	1.4
203.05960	2.0
209.08214	0.6
211.84253	0.4
213.06671	0.5
214.07420	0.6
214.12367	9.8
215.12679	0.9
225.06599	0.5
226.07486	0.7
227.08243	1.8
228.09013	0.8
229.09799	4.2
230.11903	3.8
239.12088	0.6
240.10385	0.5
241.00107	0.6
241.09819	9.4
242.10597	16.5
243.10774	0.8
255.11398	0.6
256.12192	0.9
257.12946	83.3
258.13269	6.9
267.07281	0.6
271.02390	0.4
283.10858	0.6
299.10434	0.6
300.11105	1.0
301.11932	100.0
302.12268	8.6
317.11188	1.1
325.11960	1.1
343.12976	5.1
344.13464	0.5
433.24286	0.5
473.28976	0.4
483.33264	0.4
513.27057	0.9
522.18561	0.4
541.33453	0.7
543.27966	0.8
559.27924	1.7
569.24060	1.0
577.06311	0.4
601.28033	1.2
613.23047	0.8
627.22052	0.6
645.26520	3.7
645.38147	0.8
646.24170	1.0
665.80579	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.3
61.48923	0.1
61.98830	100.0
62.98536	0.2
71.01400	0.3
71.73331	0.3
75.61352	0.1
78.95921	0.1
80.51073	0.1
101.02444	0.2
256.23730	0.2
578.90967	0.2
619.29034	0.1
627.51605	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.6
61.98819	0.6
64.12383	0.2
71.01393	0.4
71.73273	0.3
85.02956	0.7
89.02447	0.4
91.89020	0.2
96.96021	0.5
101.02441	0.5
107.58100	0.2
126.90469	1.6
128.03558	8.2
128.07191	100.0
128.90186	2.1
129.01965	1.9
129.03955	0.2
129.05583	0.4
129.06772	0.2
129.07556	2.9
235.08247	0.4
253.09306	2.6
277.21725	11.6
278.22043	1.5
369.28317	0.2
406.86197	0.2
426.77957	0.2
643.35809	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	643.204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	8.8
61.98835	11.2
63.02418	0.8
63.68767	0.7
65.00336	1.8
71.01387	4.6
71.17930	0.6
71.73557	0.6
71.73997	0.9
72.99325	1.5
73.02965	0.9
83.01408	2.4
84.04492	0.6
85.02997	2.1
87.00905	0.9
88.98843	1.0
89.02464	1.7
91.01917	0.9
92.59917	0.6
96.96027	6.3
99.00948	1.0
101.02493	1.6
107.01399	4.5
108.02223	1.2
109.02985	1.7
111.00939	0.8
113.02505	1.4
119.03523	0.7
121.02943	3.7
125.16634	0.7
135.00972	1.1
139.04066	2.7
143.03503	0.9
148.01753	1.7
151.00386	16.5
152.00737	0.8
159.04514	0.9
161.04509	0.8
163.00424	3.0
169.01416	1.2
178.99887	9.8
192.00519	0.9
197.11830	2.7
209.11899	2.6
211.03981	2.3
215.03560	1.0
216.04280	1.0
226.02765	1.6
227.03549	2.7
227.12950	0.9
243.02989	10.0
244.03528	0.9
245.04463	1.1
254.02243	1.4
255.02968	22.5
256.03339	2.0
271.02451	46.0
272.02936	5.1
273.04041	2.2
280.08444	0.7
283.02570	2.6
295.10873	1.5
299.02032	1.0
300.02744	69.5
301.03516	100.0
302.03821	8.2
396.13828	0.8
447.89008	0.8
611.24274	2.7
625.19202	2.4
626.19513	1.0
643.20270	50.6
643.29498	2.9
644.20563	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	641.2101
Annotation	Leucocyanidin 4',7-dimethylether 3-O-rutinoside
Peak:m/z	Relative Intensity
57.03431	2.2
59.01384	19.6
69.66199	1.0
69.88335	1.0
71.01382	16.2
71.03407	1.9
71.03716	1.0
72.99313	5.1
73.02934	2.0
75.00881	16.6
79.95724	1.7
83.01384	2.0
84.56883	0.8
85.02963	20.1
85.29795	1.0
87.00881	6.2
89.02428	3.2
89.86238	1.0
93.03439	2.3
95.01376	4.0
96.96019	9.5
99.00909	9.6
101.02444	2.5
111.00881	3.2
112.22805	0.9
113.02463	17.9
114.87987	1.0
115.00369	2.7
115.14989	0.9
117.01968	1.7
117.20494	1.1
121.02956	4.6
122.03738	2.9
123.04488	1.8
129.01900	2.9
133.02930	1.6
135.04524	3.1
136.05304	9.8
137.06036	1.2
137.90199	1.0
146.03853	1.0
149.02457	6.9
149.06104	1.2
150.03249	28.5
151.04053	5.2
151.07545	1.0
155.10760	1.3
161.04568	1.1
164.04747	3.6
165.05577	16.7
175.02469	2.1
179.07072	1.0
180.04225	1.0
181.05048	1.2
181.12268	1.2
191.01814	1.4
195.06650	14.6
225.11247	1.2
231.05072	1.7
249.06137	17.2
267.07141	8.5
283.09711	2.9
305.10550	1.6
311.09238	3.8
325.10764	1.5
329.10312	2.2
343.11862	22.0
344.12244	2.3
380.35712	1.1
391.13626	1.9
416.43933	1.1
443.11902	1.3
444.12750	6.4
537.32343	4.3
623.19989	7.3
641.20886	100.0
642.21271	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	641.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10559	0.5
57.03439	2.3
59.01378	6.5
59.09555	0.5
61.98831	1.0
63.02395	3.5
65.00318	5.1
69.03449	1.3
69.76974	3.8
70.88676	0.4
71.01394	2.6
73.02955	0.8
73.32023	0.4
79.95746	0.7
83.01403	4.8
85.02955	15.5
86.03970	0.5
86.74048	0.5
87.00874	1.1
88.98824	0.8
93.03473	0.7
95.95258	0.8
96.96030	7.7
97.02918	0.6
99.71511	0.5
101.02475	1.1
103.00391	0.5
107.01405	13.1
108.02204	1.4
109.02984	3.6
111.00900	0.9
113.02452	1.5
116.92860	1.8
121.02972	7.8
123.04523	1.1
124.01673	2.9
125.02433	3.5
129.01958	2.1
133.03044	0.5
134.03786	0.7
135.00964	1.0
135.04544	2.2
136.01686	0.5
145.02954	0.8
147.02992	1.6
147.04562	0.6
148.01671	1.8
149.02480	1.4
149.99658	0.6
151.00386	55.5
152.01176	4.9
153.01912	1.1
159.04503	0.6
161.02455	1.6
162.03224	1.9
163.00368	4.1
163.03984	1.0
164.01131	0.9
165.01942	0.9
167.03505	1.8
169.01451	3.5
173.00909	0.7
175.00386	0.6
178.99870	22.3
180.00227	0.7
183.04646	0.7
187.04034	1.3
189.01918	0.5
191.00078	0.8
191.01993	7.5
192.00636	2.0
193.01363	2.0
199.03998	1.6
201.05650	0.9
202.99872	1.4
209.03059	0.9
211.04007	2.4
213.05592	1.3
215.03542	1.3
216.00681	0.6
226.02554	0.9
227.03500	3.7
229.05069	3.1
230.05574	0.8
235.02403	0.9
239.03290	0.6
240.04242	0.6
241.05034	2.7
242.02110	0.7
242.05748	0.8
243.02983	9.0
243.81245	0.5
244.03519	0.8
245.04480	2.0
249.05765	0.6
254.02240	1.3
255.02969	24.3
256.03415	2.3
257.04688	3.1
258.05121	0.5
267.02933	1.2
268.03976	0.7
269.04465	2.6
270.05402	0.5
271.02460	48.1
272.02951	4.0
273.04120	2.1
283.02414	3.0
284.03375	1.3
285.04034	9.7
286.04736	2.2
297.03970	1.4
299.01993	10.9
300.02744	92.4
301.03506	100.0
302.03876	8.7
311.02151	0.9
312.02576	0.7
313.03549	12.5
314.04297	24.3
315.04660	3.0
325.03552	0.7
341.02985	1.5
346.03296	29.7
347.03641	2.3
353.03165	1.4
375.78064	0.6
384.04559	0.9
385.05536	2.5
417.05777	0.6
446.08475	1.1
447.09311	86.4
448.09573	10.6
449.27881	0.7
450.09509	11.3
451.03894	0.6
451.10321	17.4
452.10544	1.9
477.08228	18.7
478.08475	2.8
495.09274	21.4
496.09537	3.0
509.10999	0.9
510.18600	0.8
517.09863	1.6
597.16150	30.2
598.16541	4.7
623.14343	2.2
640.33698	0.8
641.15198	79.4
641.24524	3.7
641.31586	2.4
642.15460	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3606
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32355	1.0
55.01875	1.2
56.51777	0.7
58.00581	2.3
59.01379	44.5
60.99259	0.8
61.98835	3.8
71.01385	43.6
71.72874	1.5
72.01737	1.0
72.99307	3.5
73.02927	2.2
78.95894	1.5
79.95742	0.9
80.96518	2.0
83.01390	3.6
85.02965	6.7
85.58154	0.8
87.00894	10.0
89.02451	49.0
95.01384	2.8
96.96022	1.0
101.02457	22.6
113.01694	1.7
113.02462	22.1
116.92876	1.0
119.02649	1.1
119.03513	18.4
125.02440	1.2
131.03503	2.5
143.03516	6.3
149.04593	1.8
152.99631	0.8
161.04561	8.3
179.05620	21.1
255.23280	100.0
256.23547	9.0
269.24808	6.7
279.23224	0.9
279.84976	0.8
297.24377	4.7
323.09799	34.4
324.10297	1.9
341.10889	51.6
342.11166	4.7
515.67584	0.9
523.62604	0.8
555.28412	5.6
579.33905	33.7
580.34351	6.8
639.27258	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	641.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35802	0.5
57.03267	0.6
57.03512	1.8
59.01446	8.9
61.98882	1.3
63.02460	0.8
65.00401	1.8
69.52642	5.7
71.01469	5.6
72.99379	0.9
73.03031	3.3
75.00964	2.8
79.95779	1.4
81.38424	0.5
83.01039	0.6
83.01485	2.0
85.02222	0.8
85.03055	13.6
87.00981	1.6
87.04625	0.6
88.98897	0.6
89.02557	1.8
93.03516	1.1
94.37330	0.6
95.95338	0.7
96.96021	13.0
97.14847	0.6
99.00967	1.5
101.02563	2.0
103.00473	1.1
107.01407	3.4
108.02301	1.8
109.02966	3.7
111.00973	0.7
113.02473	3.3
116.92887	2.9
119.01614	0.5
119.05140	1.1
120.01363	0.6
121.02975	3.1
122.97672	0.6
123.04591	1.3
124.01749	1.3
125.02563	1.6
127.68527	0.6
128.03687	0.6
129.02060	1.9
133.03029	1.1
134.03757	9.0
135.04562	0.6
137.02548	1.6
139.04111	0.9
147.03113	1.4
147.04543	0.7
148.01759	0.8
149.00037	0.5
149.02602	1.6
149.04854	1.3
149.06224	6.3
149.09880	0.6
151.00392	13.5
152.01074	0.9
153.02046	0.8
161.02536	1.1
163.00476	1.5
163.04149	0.7
165.02084	2.4
165.05676	0.7
166.05241	1.6
169.01448	1.2
171.10394	0.9
175.04172	1.3
177.01920	3.2
178.99881	7.1
187.04095	0.8
188.01332	1.6
189.02032	1.3
189.05478	0.8
191.02019	5.8
191.03462	0.6
191.07321	1.0
193.05164	0.8
195.06757	0.8
198.03349	0.7
199.04178	1.9
200.04945	0.6
201.02058	1.2
202.02669	0.7
205.01689	0.7
209.03152	1.3
211.04166	1.7
213.05711	0.7
215.03708	1.0
215.57558	0.7
217.05125	0.9
217.14429	0.8
225.05687	0.6
226.02861	1.6
227.03487	2.8
228.04027	0.6
240.04343	1.1
241.00415	1.7
241.05029	1.0
243.02968	8.8
244.03584	0.9
245.04489	0.7
247.15637	1.9
248.15947	0.7
249.06215	1.1
254.02356	2.3
255.03104	8.3
255.06815	1.2
256.03757	1.8
257.17667	1.4
259.06201	1.5
267.07031	0.7
269.04590	2.8
270.01761	0.7
270.05359	0.8
271.02463	36.4
272.02927	3.5
277.07355	0.6
280.03781	0.8
281.04755	1.7
283.02499	4.6
284.03168	0.9
285.04047	1.2
297.03958	4.5
298.04871	2.0
299.01999	18.8
299.05154	0.9
299.18738	0.8
300.02753	50.7
301.03488	35.7
302.03799	3.0
309.04135	2.0
311.01877	1.3
313.03574	0.8
317.19687	3.5
325.03641	0.7
326.04340	12.1
327.05026	10.2
328.05783	0.9
353.03000	0.7
391.26923	1.2
393.09854	1.2
421.09552	1.1
433.09283	1.5
435.07376	1.7
436.07693	0.9
447.09323	100.0
448.09695	12.4
449.09247	1.0
449.24017	1.4
450.09616	4.0
451.10440	1.2
455.25330	0.6
473.10910	18.3
474.11304	2.0
477.08310	6.7
478.08597	0.9
479.16202	1.1
494.08618	0.8
495.09357	3.2
509.21750	1.1
537.32672	1.9
551.20691	1.3
555.33893	0.8
561.25757	1.0
597.15924	4.2
623.14282	3.0
623.24652	1.0
640.32654	2.1
641.15045	36.5
641.24963	4.6
641.34625	8.1
642.15015	7.5
642.23706	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53618	0.3
55.01863	0.5
57.03446	2.5
58.00603	0.6
59.01378	12.4
67.01896	0.8
68.13049	0.4
68.99820	2.0
69.03452	1.4
69.80575	3.1
71.01386	16.2
72.99315	6.4
73.02939	1.9
75.00880	15.6
75.33119	0.4
79.10787	0.4
81.03471	0.6
83.01395	1.6
83.26617	0.3
85.02959	16.3
87.00891	6.0
89.02459	3.6
91.04023	0.4
93.03466	2.1
95.01401	4.2
96.96001	3.2
97.02945	0.7
99.00887	9.1
101.02451	0.6
103.00365	1.1
108.02184	0.6
109.02981	0.6
111.00889	1.4
113.02462	15.7
113.03251	0.8
114.02800	0.5
114.99632	0.4
115.00381	2.1
117.01925	1.3
117.03466	1.3
119.05038	0.6
121.02979	6.0
122.03784	3.3
123.04566	2.8
129.01956	2.2
131.56136	0.4
132.02205	1.0
133.02974	3.5
134.03758	28.8
134.97775	0.4
135.04648	3.4
136.01685	0.7
137.02434	2.2
139.00346	1.0
146.03746	0.9
147.04532	0.7
148.05305	1.3
149.02464	8.4
149.06090	6.1
150.03241	26.7
151.04037	8.9
157.01407	1.3
160.01678	4.2
161.02477	2.6
164.04787	1.5
165.05588	24.1
166.02689	0.6
166.05945	1.1
175.02489	2.3
175.04002	7.1
175.07706	0.4
176.04486	0.5
177.01945	0.9
178.02718	4.1
179.03479	1.3
179.07211	0.9
180.04243	1.8
181.05084	7.5
182.05559	0.7
189.04066	0.6
191.01970	0.5
193.05080	18.9
194.05386	1.4
195.06638	4.1
205.05063	0.5
207.04997	0.6
221.06267	0.7
231.05095	1.8
234.06978	0.5
239.07056	1.1
241.09839	0.7
249.06110	20.9
250.06326	2.2
252.06285	1.1
253.07155	1.2
254.09467	0.8
267.06726	4.2
267.09070	0.8
268.07047	0.4
269.12805	1.4
280.08514	1.3
282.08975	3.6
293.09433	0.6
295.08127	0.6
295.10870	4.6
321.08820	1.8
327.08469	0.8
339.09644	0.5
341.10242	4.0
343.11768	0.5
381.11862	2.2
382.12347	0.5
387.14572	0.6
399.12949	0.5
417.15543	1.1
423.09320	0.5
425.10806	1.6
439.12338	1.0
441.10483	0.6
442.11194	5.7
443.11893	7.7
444.12216	0.7
457.13516	1.8
477.67636	0.5
497.13055	0.6
545.17645	1.8
546.19244	0.4
573.16003	0.5
589.16699	3.5
590.16724	0.9
591.17535	0.8
607.17578	3.8
608.18280	0.9
621.18732	3.2
622.18689	0.8
639.19409	100.0
640.19702	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	639.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63034	0.7
51.70073	0.6
55.01869	1.4
57.03431	2.5
58.00585	0.9
59.01092	1.5
59.01377	23.6
61.98832	5.8
65.03951	2.5
68.01833	0.7
68.03522	0.7
70.10058	3.8
71.01384	22.0
72.99305	2.5
73.02940	5.3
81.03465	1.8
83.01400	3.7
83.05028	4.6
85.02959	8.4
85.06596	2.1
86.00086	1.4
87.00886	7.6
89.02443	8.7
91.05534	1.4
92.14143	0.6
93.03454	1.5
95.01394	2.8
96.96017	3.6
97.02957	1.1
97.06636	3.4
99.00892	1.7
101.02446	11.4
101.21520	0.7
105.07122	1.2
107.05033	0.9
109.06590	2.0
111.04496	1.1
111.08155	4.1
113.02466	8.8
115.30108	0.7
119.03490	1.9
119.05038	1.5
120.77274	0.7
123.08158	3.0
125.02440	1.5
125.09744	12.8
126.10099	0.9
135.08144	2.0
137.09717	1.1
143.03473	0.7
145.05057	3.9
151.11316	0.7
155.10756	1.1
161.04547	3.6
163.11292	1.6
165.12796	0.8
171.10283	49.3
172.10645	2.6
179.05580	1.6
183.13895	1.3
185.11882	1.6
187.09793	1.2
187.14883	1.0
189.16539	1.0
197.13371	0.8
201.12920	0.8
205.15991	3.9
207.13852	1.2
208.77467	0.7
209.11827	14.4
210.12236	0.9
211.13382	14.2
212.13716	1.3
213.12823	1.4
215.14413	12.9
216.14784	1.3
221.15437	1.6
229.15851	0.7
231.13904	4.6
233.15454	41.1
234.15742	2.9
235.08250	8.3
235.13361	1.4
239.16606	0.9
247.17056	1.1
249.14943	22.2
250.15260	1.2
251.16507	1.8
253.09299	4.8
331.26260	3.5
341.24750	3.9
357.24420	2.2
359.26007	1.8
367.22809	4.1
368.23117	0.8
375.25238	4.4
376.25629	1.0
385.23798	27.0
386.24243	3.9
393.26477	1.1
403.24921	39.1
404.25302	4.3
405.17474	1.0
407.19290	1.7
421.25943	10.6
422.26242	1.6
477.28561	1.7
485.23901	2.1
495.29431	1.0
611.34387	3.6
621.32922	100.0
622.33337	23.9
639.25647	2.3
639.33997	47.5
640.25250	1.0
640.34576	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	636.4341
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98520	0.2
71.27613	0.3
96.29177	0.1
98.82021	0.1
119.44122	0.1
157.94577	0.1
171.20703	0.1
175.20277	0.1
271.65308	0.1
366.70148	0.2
396.61606	0.1
409.18567	0.2
620.42993	0.1
640.33124	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	636.434
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
70.59121	0.5
70.59513	0.6
80.84395	0.2
131.83937	0.3
270.60266	0.2
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
55.01866	1.3
57.03444	3.1
59.01097	1.1
59.01377	14.9
66.02715	0.7
67.01910	0.9
68.99818	2.3
69.03471	1.9
69.99328	2.7
69.99731	1.2
71.01383	19.5
72.99313	4.8
73.02953	2.6
75.00878	14.9
81.03442	1.2
81.38994	0.6
82.12526	0.6
83.01395	1.7
85.02961	19.4
86.03283	1.4
87.00884	7.4
87.88398	0.6
89.02439	5.0
91.23250	0.6
93.03470	2.8
95.01396	4.2
96.96022	7.2
97.02994	1.2
98.19920	1.1
99.00893	9.5
101.02431	2.2
103.00372	1.7
109.02936	1.1
111.00858	1.4
113.02461	16.5
115.00387	2.9
117.01936	2.2
117.03487	2.0
120.01289	1.5
121.02957	4.7
122.03752	4.5
123.04539	2.6
125.02509	0.7
127.04038	0.8
128.03572	1.0
129.01953	2.3
131.03503	1.0
132.02232	1.4
133.02933	4.0
134.03763	28.2
135.04482	2.9
136.01651	1.0
137.02451	2.5
139.04012	1.9
147.04526	0.9
148.05278	1.3
149.02461	8.1
149.06110	6.4
150.03242	38.4
151.00404	1.1
151.04047	8.0
157.01503	0.9
160.01657	5.2
161.02451	3.1
163.04022	0.8
164.04813	2.0
165.05583	32.1
166.02695	2.2
166.05949	1.7
175.02470	2.1
175.03999	8.3
176.04678	0.9
177.01945	1.4
177.05513	1.0
178.02733	5.9
179.03447	2.0
179.07135	1.3
180.04327	3.5
181.05069	8.9
191.01999	1.4
192.04303	0.9
193.03337	1.4
193.05054	22.9
195.06625	7.8
197.11752	0.8
205.05106	1.7
215.47235	0.8
221.08226	1.0
231.05035	2.2
241.00130	0.8
249.06119	23.4
250.06454	1.1
252.06390	1.3
267.06769	6.2
282.08920	1.5
341.10059	0.7
343.11795	1.0
357.13513	1.7
372.12149	2.6
381.11890	1.9
387.14526	9.9
388.14853	1.2
391.13919	1.3
399.12726	1.3
405.15512	1.3
417.15643	4.2
418.15961	1.0
424.10080	1.2
425.10672	1.1
439.12314	1.1
441.10400	1.0
442.11148	9.6
443.11917	9.8
444.12039	0.9
457.13367	2.6
491.17850	1.3
535.31219	2.4
591.17523	1.0
607.17938	0.9
621.18445	3.5
639.19391	100.0
640.19757	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	635.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05024	0.6
55.01873	2.0
57.03447	2.5
58.00574	3.0
59.01377	100.0
60.01699	1.0
60.68929	0.7
61.98826	0.6
62.69731	0.7
69.03457	1.0
71.01386	57.1
71.43668	1.1
72.01740	1.3
72.99319	3.9
73.02949	8.5
75.00916	0.7
78.95935	0.9
79.95752	1.0
80.73232	0.6
83.01396	4.3
85.02959	19.1
86.34115	0.5
87.00909	4.1
89.02449	45.2
90.02802	0.9
95.01395	6.4
96.96024	15.4
97.02973	0.7
98.95621	1.2
99.00880	2.9
101.02456	31.6
111.00873	0.6
113.02460	40.5
113.54262	0.7
114.02782	1.2
119.03519	18.5
124.01655	1.3
125.02508	3.0
129.02045	0.7
131.03513	2.2
137.09740	1.6
137.27466	0.5
143.03496	5.1
149.04565	2.5
150.03204	0.8
161.04585	13.3
165.05542	1.0
173.48306	0.6
179.05614	9.6
189.12915	1.4
195.06650	1.4
207.14070	0.8
225.14906	1.3
231.38142	0.6
241.00247	1.1
273.04214	0.8
352.74878	0.6
369.19229	3.3
387.20410	3.6
470.12259	0.7
495.22189	0.7
531.24414	83.7
532.24756	11.9
549.25452	52.5
550.25885	8.5
591.18451	0.7
591.26581	19.6
591.90930	0.6
592.27100	3.9
635.15674	0.9
635.18677	0.9
635.29755	19.3
636.30847	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.5
57.03444	2.8
57.65464	0.8
58.00596	3.2
58.02977	2.4
59.01379	100.0
59.08866	0.8
60.01712	1.3
61.98823	1.7
62.17813	0.8
69.03477	1.9
70.03027	0.8
71.01386	51.6
71.72205	1.1
72.99316	2.9
73.02953	36.3
75.00889	1.8
79.95740	1.4
83.01402	8.8
85.02959	14.0
87.00897	3.4
89.02454	32.0
91.05569	0.9
95.01412	3.1
95.95264	0.7
96.95442	1.6
96.96025	21.1
96.96984	1.0
97.02966	1.9
98.62109	0.9
98.95611	1.3
99.00871	1.4
99.04479	0.9
101.02457	41.3
102.02833	1.2
103.00436	1.1
104.35229	0.7
109.02964	0.8
109.90190	0.8
111.00938	1.0
113.02467	32.6
119.03523	17.0
121.01463	0.8
125.02456	3.4
127.05103	1.2
131.03508	5.0
137.21558	0.9
138.97113	0.8
143.03543	7.1
147.04524	2.4
149.04572	6.1
150.03218	1.5
160.04060	3.4
161.04575	18.1
164.07191	10.5
165.02011	1.9
165.05537	1.2
167.03465	1.1
179.05637	16.1
191.02028	1.0
195.06607	3.3
203.05673	1.1
206.08253	18.8
211.34639	0.8
221.06647	3.5
241.00317	1.7
249.12366	4.0
340.05917	1.4
487.11990	0.8
531.24469	23.3
532.24927	3.1
549.25470	15.4
550.25610	2.4
559.11115	1.3
591.26550	8.4
592.26880	2.0
635.15033	1.6
635.30890	8.1
636.18976	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14690	0.8
57.03434	1.7
59.01379	60.9
59.04481	0.7
60.01709	1.1
61.98832	100.0
71.01388	22.7
72.99311	2.5
73.02950	14.6
74.02478	1.3
75.00862	2.4
78.95908	1.5
79.05531	0.9
79.95721	1.8
83.01405	5.9
83.43814	0.8
84.04567	0.9
85.02962	8.8
87.00889	2.7
87.04536	0.7
88.98820	1.3
89.02456	9.7
94.06615	1.8
95.01398	2.0
95.05048	1.4
96.96016	15.9
98.19897	1.6
98.20579	2.9
98.95541	1.1
99.00859	1.5
101.02461	20.1
101.24055	0.8
107.03770	3.3
109.02980	1.0
110.06110	5.3
111.00887	1.2
111.06480	1.5
113.02464	11.8
115.00383	1.3
116.92936	1.1
117.96915	0.9
119.03516	7.0
119.04988	0.9
120.01268	1.4
120.08217	13.5
121.05303	2.1
121.08530	3.9
122.06142	49.9
123.06494	10.7
125.02463	1.8
128.03519	1.9
129.01971	1.6
131.03569	3.1
132.04596	1.7
134.06134	1.9
135.04543	1.4
136.07681	1.2
143.03522	2.8
144.04562	3.2
146.06219	1.2
147.03076	1.1
147.44460	1.0
148.86346	0.9
149.04536	6.0
159.03180	0.8
160.04048	1.6
161.04588	10.7
162.05544	1.1
164.07175	1.5
171.10266	2.4
173.04774	1.3
174.05649	4.0
175.05995	1.8
179.05647	5.7
191.01962	1.7
203.05838	6.1
221.06628	2.2
236.09488	2.8
237.10104	5.5
238.10773	3.1
239.11775	2.3
241.00270	1.1
249.06345	1.4
249.10390	1.2
249.13977	1.8
250.07478	1.8
250.10886	2.8
250.14427	1.0
251.08110	1.2
251.09087	1.5
251.11876	27.0
252.12239	19.7
253.12968	2.8
254.10313	1.5
261.08749	2.0
262.11160	1.1
263.08243	2.4
263.11887	1.7
264.08752	3.9
264.12173	2.1
265.09457	2.8
265.13403	3.3
266.10336	2.6
266.13773	3.3
267.07745	1.2
267.10922	1.9
268.08447	1.1
269.08942	2.4
276.09012	2.4
277.09769	10.1
278.10312	10.1
279.11191	5.8
280.11758	2.7
281.09442	1.8
282.09915	2.0
282.13052	1.1
283.10748	3.0
284.11328	1.9
285.12076	1.2
291.11316	8.0
292.11917	15.8
293.12720	18.2
294.13287	12.1
295.10754	2.1
295.13937	1.1
296.11298	1.9
297.12006	1.3
311.10132	1.8
320.10980	1.5
324.11102	3.1
325.11642	4.2
327.13397	2.9
329.11255	1.3
330.12228	1.2
335.10483	2.2
336.10999	4.6
337.11673	5.3
338.12177	2.6
344.13779	1.0
345.14459	1.2
359.15787	1.5
360.16980	3.6
361.17560	4.6
362.18661	1.2
363.19031	1.1
371.19794	1.1
372.17136	5.4
373.17621	10.4
374.18613	5.2
375.19153	5.5
387.15131	1.5
389.20770	1.0
390.18283	5.1
391.18665	9.2
392.19406	1.3
393.19940	1.1
401.17004	1.5
402.18176	2.3
403.18646	3.8
405.16507	1.0
406.17352	3.1
407.18182	4.2
414.18045	2.9
415.18576	8.8
416.19159	1.7
418.17624	3.7
419.18027	9.4
420.18646	1.6
432.19238	3.7
433.19705	8.9
434.20264	1.1
436.18793	5.2
437.18976	9.7
456.23334	1.1
458.17191	1.3
459.17578	3.4
460.18375	3.2
476.18314	3.3
477.18665	12.5
478.19122	6.6
479.19864	3.4
490.19885	1.3
491.20215	5.0
492.20999	1.0
494.26056	1.9
496.24081	3.5
501.18704	1.9
508.20728	8.2
509.21179	30.2
510.21375	6.1
512.27313	2.4
514.25208	5.4
525.26947	1.7
529.30066	1.3
538.25366	6.8
541.23822	1.0
555.26392	1.7
556.26495	8.5
557.20251	1.0
558.24634	1.5
559.25049	2.4
570.24463	1.3
582.24359	7.7
589.23053	4.9
589.31781	1.7
599.25085	1.9
600.25433	33.9
601.25653	2.6
602.26874	3.0
614.27209	14.3
615.27576	2.2
631.27686	1.9
632.28156	69.7
633.29266	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	631.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97253	0.2
59.01372	0.6
61.98828	1.8
64.58388	0.2
70.83308	0.2
71.01396	0.2
71.21170	0.4
71.21499	0.2
73.02953	3.8
74.02473	0.3
75.00881	0.5
99.00887	1.1
99.92598	11.5
100.92623	0.6
114.93421	0.3
115.00404	0.4
116.03612	0.2
116.07180	0.6
116.92877	100.0
116.97245	1.6
117.01952	8.2
117.05612	0.4
117.92887	6.6
118.02319	0.2
162.33607	0.2
202.70525	0.2
228.47125	0.2
277.21774	0.9
397.73282	0.2
550.72217	0.2
640.19348	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2786
Annotation	Meliacarpinin B
Peak:m/z	Relative Intensity
58.42761	1.0
59.01365	2.1
59.90207	1.0
69.64022	8.5
83.96561	1.4
94.06672	1.5
100.07768	1.0
105.05883	1.4
107.03768	4.4
108.04553	1.2
110.06133	6.7
120.08208	41.6
120.09091	2.4
121.05357	4.3
121.08498	1.3
122.06137	73.0
123.06458	1.9
124.20493	1.0
134.06102	3.3
136.07654	1.3
144.04604	6.4
152.07155	1.2
160.04060	2.3
162.05623	1.2
164.07167	2.3
172.04054	1.3
172.07707	1.3
173.04782	1.3
174.05666	6.9
188.03545	2.0
200.07004	1.2
203.05836	6.2
203.11832	1.2
204.06656	2.5
215.11946	1.5
222.07997	1.3
223.08768	3.1
223.12592	1.3
225.10349	1.2
225.13991	2.6
236.09523	6.1
237.10237	7.1
238.10915	1.4
239.08154	1.2
239.11932	2.0
241.13441	2.5
249.10402	4.0
249.14085	2.5
250.07407	2.5
250.11148	3.7
251.11888	32.8
252.12378	4.6
253.09862	1.9
253.13440	1.6
254.10301	1.1
263.08264	7.2
263.11716	7.0
264.08975	7.4
264.12198	2.3
265.09680	2.8
265.13364	6.1
266.10596	1.8
267.11096	2.0
268.08478	2.2
269.09219	1.4
275.11902	1.4
276.08997	7.7
277.09790	31.9
278.10522	14.8
279.11249	6.8
281.09296	1.2
282.10040	2.5
283.10803	4.7
287.13968	2.4
291.11377	32.1
292.12155	38.2
293.12897	32.8
294.13412	4.3
295.10797	3.2
296.11618	1.8
301.12091	2.1
311.10257	1.4
312.11346	1.2
313.11868	2.3
319.10785	1.6
324.11133	7.5
325.11636	3.1
325.15305	1.2
326.12247	1.2
330.12302	2.3
335.10361	10.2
336.11060	13.8
337.11865	9.5
343.13153	3.1
344.13742	1.1
346.15479	1.4
358.15659	2.0
360.17181	5.7
361.17566	1.3
362.18701	1.3
370.19342	1.2
372.17233	11.7
373.17792	3.6
374.18735	3.6
386.14923	2.6
390.18298	4.7
399.15701	1.7
400.16663	4.6
402.18411	4.9
405.16916	1.4
406.17673	3.2
411.06644	1.0
414.18265	13.8
415.18857	5.9
418.17603	6.4
419.18216	1.7
432.19272	9.5
433.19644	2.7
434.16974	1.6
436.18814	4.0
446.16791	1.2
447.17960	2.2
458.17413	6.5
459.18063	6.1
464.22830	1.7
476.18256	29.4
477.18951	15.9
478.19763	5.8
490.19949	13.4
491.20316	2.8
495.24380	2.6
508.20883	84.1
509.21271	18.7
513.24908	2.8
525.24847	3.8
537.24890	15.9
538.25427	2.9
545.80225	1.1
555.26141	19.1
556.26282	3.2
569.24261	4.4
570.24377	1.6
581.24146	18.0
582.24353	3.0
599.25128	100.0
600.25385	21.3
601.26862	4.2
602.27222	1.3
613.26874	16.5
614.27081	3.3
631.27863	71.7
632.28235	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	631.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80698	0.3
52.19030	0.3
57.03457	0.3
59.01379	2.0
71.01381	1.8
71.72314	0.6
72.99305	0.4
73.98075	0.3
74.02480	0.7
75.00876	0.4
79.95744	5.1
80.96521	1.6
83.77313	0.3
85.02972	2.6
87.00854	0.3
89.02443	0.7
95.95253	4.9
96.96023	64.9
98.95612	2.8
98.96263	0.3
98.96493	0.4
101.02454	1.2
113.02473	0.5
115.00363	0.3
116.03551	0.4
119.05037	0.4
122.97600	0.7
129.01906	0.6
130.18930	0.3
133.03000	0.5
138.97110	2.0
149.04587	0.7
150.97073	0.8
177.04114	1.6
180.98019	0.4
191.01970	0.4
198.99228	1.0
199.74619	0.3
213.00677	0.4
225.00688	1.0
232.98573	0.3
235.20828	0.4
241.00258	3.9
256.99759	1.5
261.08759	0.4
313.06104	0.7
356.87534	0.4
451.16385	1.5
631.22815	100.0
632.23193	16.3
658.91748	0.4
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
59.01368	0.6
61.98825	1.2
63.64286	0.2
70.25532	0.6
70.25951	0.3
71.01375	0.3
72.00926	0.2
73.02946	7.2
75.00873	1.3
93.26276	0.2
96.95972	0.2
99.00874	1.7
99.92588	10.1
100.92598	0.5
114.93481	0.3
115.00375	0.8
115.04035	0.3
116.03525	0.2
116.07173	1.2
116.92870	100.0
116.97218	1.6
117.01945	15.2
117.05580	1.0
117.92876	5.5
118.02290	0.4
118.05068	0.2
126.89674	0.2
277.21759	0.6
375.38959	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80698	0.3
52.19030	0.3
57.03457	0.3
59.01379	2.0
71.01381	1.8
71.72314	0.6
72.99305	0.4
73.98075	0.3
74.02480	0.7
75.00876	0.4
79.95744	5.1
80.96521	1.6
83.77313	0.3
85.02972	2.6
87.00854	0.3
89.02443	0.7
95.95253	4.9
96.96023	64.9
98.95612	2.8
98.96263	0.3
98.96493	0.4
101.02454	1.2
113.02473	0.5
115.00363	0.3
116.03551	0.4
119.05037	0.4
122.97600	0.7
129.01906	0.6
130.18930	0.3
133.03000	0.5
138.97110	2.0
149.04587	0.7
150.97073	0.8
177.04114	1.6
180.98019	0.4
191.01970	0.4
198.99228	1.0
199.74619	0.3
213.00677	0.4
225.00688	1.0
232.98573	0.3
235.20828	0.4
241.00258	3.9
256.99759	1.5
261.08759	0.4
313.06104	0.7
356.87534	0.4
451.16385	1.5
631.22815	100.0
632.23193	16.3
658.91748	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96862	1.2
55.01866	2.2
57.03432	5.5
59.01101	2.9
59.01381	47.0
61.43722	1.3
61.98830	10.7
68.20039	1.4
68.99814	2.2
69.03446	3.9
71.00993	2.4
71.01386	46.6
71.73011	2.2
72.98190	1.4
72.99307	11.3
73.02934	8.8
75.00879	25.0
77.42687	1.3
78.95894	2.1
79.95714	3.6
80.96503	1.7
83.01381	2.5
83.05022	2.4
84.02178	2.2
85.02445	2.2
85.02957	43.8
87.00875	18.5
89.01918	2.5
89.02452	36.0
91.03967	2.0
93.03456	2.1
95.01419	10.1
96.96024	47.6
97.02932	1.9
98.95575	2.2
99.00883	17.4
99.04519	2.7
101.02431	6.0
103.00348	5.2
103.04026	1.7
108.02132	1.5
111.00849	2.8
113.02461	55.3
115.00351	3.5
116.92843	1.8
117.01933	5.6
119.03465	2.0
120.01245	2.3
121.03023	1.6
122.06094	2.2
124.07656	1.4
125.02421	2.3
129.01913	4.5
131.03528	7.8
135.04482	1.7
137.02509	1.6
147.03030	2.3
149.04578	64.5
153.01915	1.5
157.01480	3.4
160.04021	3.0
161.04497	1.7
161.13399	18.4
162.13525	1.7
165.05496	1.5
174.01497	1.4
175.02425	3.7
177.01883	2.9
187.11234	6.2
189.04225	1.6
205.07092	5.8
205.12393	19.8
231.05048	2.1
241.00273	2.3
249.06154	30.2
257.12805	3.7
267.07202	78.1
268.07367	3.5
301.11734	3.4
303.04965	3.1
319.59235	1.6
437.18069	3.4
455.19214	42.2
456.19290	6.0
465.27057	2.7
481.17014	4.0
499.18188	96.8
500.18546	12.1
507.27667	4.4
545.22449	1.6
587.23596	8.2
599.21478	3.0
600.21387	1.7
613.23639	2.1
631.22345	100.0
632.22797	17.6
632.32489	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	631.226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.1
57.03451	7.4
59.01378	34.7
61.98818	7.6
68.99805	1.3
69.03455	3.2
69.57596	4.6
69.58032	4.8
70.86757	1.3
71.00996	2.2
71.01385	44.6
72.99313	7.5
73.02947	6.3
75.00880	26.3
79.41061	1.1
79.95737	2.6
81.03447	1.9
81.07085	1.3
83.01382	2.5
83.05027	1.9
85.02958	44.1
87.00880	15.1
88.04049	1.9
89.01923	2.1
89.02459	34.0
91.03983	1.2
93.03460	2.7
95.01381	8.9
96.96026	33.6
98.19827	1.8
98.20504	3.2
98.95583	1.3
99.00883	19.5
99.04523	2.4
101.02484	5.9
103.00368	4.3
103.04002	1.9
109.02955	2.8
112.01675	1.4
113.02464	57.1
114.02780	1.4
115.00349	2.8
117.01942	2.9
120.01259	1.7
122.06149	1.6
125.02506	1.6
129.01950	4.6
131.03516	7.5
135.04474	1.1
137.02353	1.5
149.04576	60.2
150.04887	1.6
152.07202	1.1
157.01390	1.8
161.13371	18.9
162.13652	1.8
175.02478	5.9
177.01909	2.2
187.11270	6.1
189.04103	1.7
191.01933	1.4
205.07172	2.8
205.12344	17.5
205.70753	1.4
207.05026	1.3
231.04956	1.2
241.00259	1.4
249.06137	27.6
267.07196	91.2
268.07510	4.8
303.05225	1.4
358.47665	1.2
437.18069	3.9
443.27997	1.2
455.19235	49.3
456.19678	7.3
465.26556	2.1
467.14087	1.4
481.17038	3.8
499.18152	95.1
500.18518	13.4
506.15802	1.6
507.27863	3.4
545.22375	1.4
587.23987	5.9
588.23999	1.8
631.22406	100.0
632.22662	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95087	0.4
57.03447	0.8
59.01380	36.2
60.01698	0.5
61.98832	100.0
68.81122	0.4
71.01389	12.0
71.73093	0.7
72.99323	0.6
73.02949	11.6
73.03346	0.8
75.00890	0.5
83.01398	4.6
85.02960	2.0
87.00895	0.6
88.98828	0.7
89.02442	2.8
95.01416	0.7
96.96015	3.9
97.02984	0.5
99.00880	0.6
99.04520	0.5
101.02459	15.6
113.02454	5.5
113.03152	0.6
119.03493	2.3
120.62941	0.4
122.06197	0.4
125.02443	1.0
131.03511	2.0
143.03508	2.4
145.09911	0.8
149.04585	4.1
161.04582	6.4
185.20410	0.4
203.05666	0.7
211.13373	0.7
221.06635	2.7
230.73868	0.5
239.11957	0.4
285.12656	1.2
286.12939	0.6
442.85590	0.5
523.25183	0.9
536.25031	0.5
546.85962	0.4
554.25531	0.9
587.38837	0.5
598.24426	0.7
629.40350	2.6
630.30524	0.8
630.41138	1.8
631.29852	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14390	0.2
59.01377	0.9
61.98828	0.2
63.15115	0.2
69.69588	1.2
71.01397	0.2
79.95741	7.2
80.96532	0.4
85.02979	0.3
95.95240	0.5
96.96018	100.0
97.95943	0.4
101.02413	0.3
103.00358	0.2
110.97612	0.8
113.02480	0.2
114.89235	0.1
125.03334	0.2
138.97057	0.7
166.02798	0.3
181.05066	0.8
203.08272	0.4
225.07779	0.2
241.00195	0.7
245.09264	0.9
259.01318	0.9
283.06311	0.2
285.07654	0.3
291.11404	0.7
298.08536	0.4
300.09888	0.2
311.09491	0.2
313.07150	1.2
313.10849	0.9
328.09500	3.0
329.09891	0.5
343.11841	2.7
344.12384	0.5
358.14203	4.8
359.14722	0.5
407.61890	0.2
415.18848	0.3
453.08313	0.3
465.13870	0.2
468.10825	0.7
469.11609	2.6
470.11911	0.2
472.76779	0.2
508.41187	0.2
545.22491	0.6
551.14490	0.4
587.23840	0.4
599.25232	0.7
631.17053	42.8
631.26227	3.9
632.17426	7.4
632.26477	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71978	1.1
55.01867	2.4
57.03446	7.4
58.00579	2.0
59.01378	46.9
60.69147	1.2
61.98834	35.2
66.69094	1.2
67.01879	1.7
68.99791	3.3
69.03443	5.0
69.46474	8.9
69.46900	4.2
71.01386	54.4
72.99316	12.7
73.02950	8.2
75.00465	2.2
75.00877	31.6
78.95886	2.3
79.95712	2.8
80.96489	1.5
81.03464	2.0
83.01373	3.4
83.05019	2.2
85.02460	2.5
85.02961	50.1
86.03288	1.9
87.00893	16.9
88.04002	2.0
89.01927	1.9
89.02448	31.1
91.05518	2.2
93.03439	3.0
94.06618	1.5
95.01389	9.6
95.05032	1.6
95.95253	1.6
96.96026	49.3
97.02972	1.8
98.19939	2.9
98.20634	3.6
98.95584	3.0
99.00893	15.9
99.04497	4.2
101.02435	7.6
103.00373	6.0
103.03999	2.2
103.58803	1.3
109.02898	2.0
111.00867	3.3
111.04468	2.5
113.02469	63.6
113.06074	2.1
115.00349	5.3
117.01917	4.7
119.05009	1.5
120.01196	2.4
121.02925	2.2
121.98446	1.3
125.02456	2.3
129.01892	4.8
131.03511	7.6
135.04523	4.9
137.02466	1.3
139.00374	1.6
147.43683	1.3
149.04582	50.0
150.03168	2.5
150.04893	1.6
154.87602	1.7
160.04051	3.7
161.12157	1.9
161.13377	24.3
165.05557	2.7
165.89088	1.2
166.05072	11.0
175.02432	4.9
178.31142	1.1
179.03438	1.5
187.11368	10.3
191.01840	1.5
195.06586	1.6
201.05544	1.6
205.07217	6.6
205.12373	18.9
206.12749	1.8
207.04942	3.0
231.05054	3.0
237.11017	1.2
241.00191	2.4
249.06155	33.8
249.11382	2.4
250.06400	2.1
252.86960	1.3
257.12949	1.9
267.07187	100.0
268.07401	4.6
269.12854	2.1
289.07227	1.5
295.10672	1.7
301.12021	1.6
311.10275	2.4
313.11786	4.7
345.10709	4.2
437.18079	5.9
455.19260	51.3
456.19510	8.0
465.26834	2.0
481.16968	3.8
499.18185	93.6
500.18497	13.2
506.08508	1.3
506.15732	21.7
507.15549	2.6
507.27625	2.5
521.59998	1.3
545.22229	3.6
562.89569	1.8
587.23364	6.3
613.22516	2.2
618.43170	1.3
631.22437	88.0
632.22540	15.4
655.64178	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.2
59.01377	28.8
61.98832	43.9
69.83736	1.9
69.84141	8.9
71.01381	9.1
73.02963	2.8
79.95737	3.7
85.02959	4.4
86.20785	1.8
88.04054	6.1
88.98801	2.0
89.04313	1.4
94.06632	2.3
96.04559	2.4
96.96021	28.3
98.20494	2.1
99.04512	2.2
101.02441	5.5
113.02474	3.9
114.00090	1.3
115.00340	2.1
118.06601	1.9
120.08240	2.1
121.05317	2.5
122.06135	20.0
130.06653	1.8
134.06123	8.8
136.49231	1.6
138.05620	4.9
144.04631	2.0
145.09846	4.1
160.06427	7.6
161.04640	3.4
161.49397	1.4
162.05605	3.8
174.05600	7.3
187.08704	1.6
193.03845	1.6
199.13319	1.6
203.05852	1.9
204.06598	1.5
211.08768	1.6
213.08310	2.0
213.10335	39.6
214.10733	3.8
215.11931	4.2
225.10297	4.4
226.11050	2.8
236.60854	1.3
239.11885	17.8
241.13460	19.5
243.06569	3.7
251.11897	4.8
253.09836	1.6
257.12946	3.4
260.61597	1.8
277.09628	1.6
285.12433	100.0
286.12769	10.0
291.11319	3.2
293.12903	5.3
295.10754	3.2
301.11847	4.2
311.10532	2.4
321.73572	1.8
329.15320	1.7
330.16068	2.3
341.11432	1.8
343.09390	1.6
343.13226	6.6
344.13773	2.5
344.17609	2.2
354.16129	5.0
355.13416	1.7
356.14102	8.3
357.14572	2.9
358.15549	1.6
370.15567	16.9
371.16132	2.6
372.13260	2.9
372.17203	7.4
384.13342	3.3
397.14597	1.9
398.15076	11.1
403.15268	5.5
412.16708	11.8
413.17252	6.9
414.18274	2.3
425.33774	1.9
493.22470	2.3
509.21890	1.9
511.23288	12.5
512.23639	4.4
535.23676	11.4
536.23553	3.1
543.28601	2.9
553.24603	63.8
554.25049	15.2
556.23456	3.4
569.37573	1.9
579.22327	4.7
580.22729	1.7
587.39252	2.3
597.23578	81.4
598.23798	12.9
611.25171	3.0
629.12091	8.7
629.26489	57.4
629.39838	5.7
630.12421	2.0
630.26581	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	629.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74166	0.9
56.65619	0.8
59.01097	1.6
59.01379	22.4
59.52704	1.0
61.82704	1.0
61.98828	13.1
69.03442	1.2
70.74847	1.4
70.75182	1.8
71.01383	4.6
73.02953	2.0
74.02442	1.1
75.00837	1.0
78.26115	0.9
79.95728	0.9
83.01427	1.0
83.26254	0.8
84.04547	1.1
85.02946	2.5
87.00862	1.5
88.98853	1.4
94.06630	2.1
95.05018	1.1
96.96027	9.3
101.02449	1.6
106.06644	2.2
107.03766	1.4
110.06116	8.5
113.02457	1.6
118.46082	1.0
120.04556	1.2
120.08185	2.5
121.05341	4.3
122.06136	31.5
130.06657	2.2
134.06142	10.7
136.07700	1.3
144.04549	2.1
160.04094	2.0
160.06448	8.8
161.04802	4.2
162.05591	1.1
173.04848	2.3
174.05589	11.9
175.05977	1.9
188.03516	1.0
188.07259	1.4
193.03841	1.9
197.07195	1.7
203.05890	2.0
203.11929	2.0
209.73309	0.9
211.08702	1.7
213.08278	1.9
213.10344	37.9
214.10611	3.6
215.11931	2.9
223.08829	1.4
225.10303	4.3
226.11031	3.0
227.11880	1.2
229.13536	1.0
236.09529	2.7
237.10236	3.1
239.11911	26.7
240.12227	2.6
241.13438	20.9
242.13786	2.5
247.08723	1.5
249.10229	1.3
250.11316	0.8
251.11876	4.4
257.12775	1.2
259.10767	0.9
263.11972	1.0
267.11310	1.2
276.08835	1.1
277.09741	1.8
278.10672	1.1
281.09399	2.3
282.09888	1.7
283.10788	8.3
284.11069	1.1
285.12451	100.0
286.12738	10.5
291.11346	1.3
293.12866	8.6
301.11948	9.0
307.18555	1.0
311.10388	3.0
313.12280	1.1
314.13110	1.0
315.13675	1.1
325.12064	1.6
327.10043	1.3
327.14032	0.9
328.11002	5.1
328.14319	1.7
329.11124	1.1
329.16013	1.0
330.16107	3.5
339.13693	1.2
340.10779	1.1
341.11823	2.2
341.15329	1.1
342.12439	3.2
342.16147	1.8
343.13077	10.0
344.13742	2.6
344.17612	3.4
345.18402	2.3
354.12436	2.0
354.16135	7.0
355.13257	3.4
356.14044	14.2
357.14636	3.9
368.17688	4.3
369.14539	2.5
369.18713	1.4
370.10989	1.7
370.15582	27.1
370.19974	2.0
371.16492	7.8
372.17188	13.4
373.17490	1.6
382.11829	2.9
383.12585	1.5
384.13351	3.5
384.17554	1.8
385.13867	1.4
385.18179	1.2
389.13855	1.4
396.13467	1.2
397.14178	2.4
398.15121	18.3
399.15533	2.1
403.15350	8.1
404.16098	1.8
412.16745	12.3
413.17438	8.7
414.17902	1.9
416.16034	2.6
417.24854	1.6
445.16129	1.4
456.15152	1.2
457.16162	2.2
481.22470	2.6
485.25516	4.0
493.22375	8.5
509.25299	2.3
511.23468	19.9
512.23901	4.9
523.23663	6.0
535.23474	25.3
536.23401	5.6
538.21759	2.3
553.24475	68.4
554.24957	15.0
556.23260	9.4
557.23822	2.6
567.23041	1.3
579.22528	9.6
580.22845	2.9
585.27753	4.2
597.23547	82.2
598.23767	16.3
611.25500	7.0
612.25519	1.5
629.26282	64.7
630.26617	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25527	0.3
55.01868	0.3
57.03447	2.8
59.01377	7.6
61.98820	1.0
70.90845	0.2
71.01384	4.2
72.99310	0.5
73.02950	1.2
75.33214	0.3
79.95740	4.1
79.96189	0.3
80.96538	1.5
83.01394	1.1
85.02954	4.4
87.00884	1.2
89.02448	1.9
95.01352	0.4
95.95245	1.1
96.96021	68.8
97.95973	0.3
98.95675	0.3
99.00912	0.5
99.04523	0.6
101.02458	3.5
109.06600	1.3
111.00890	0.3
111.04540	0.5
113.02456	1.8
116.92854	0.3
119.03532	0.6
120.01294	0.3
122.97572	1.1
123.08205	0.3
125.02481	0.5
128.17953	0.3
131.03503	0.5
135.08192	1.8
137.02510	0.3
137.09756	1.1
138.06924	0.3
138.97072	3.1
147.02951	0.3
149.09718	0.4
150.97072	0.7
152.98622	0.4
153.09233	0.5
159.02934	0.3
161.04660	0.6
163.11304	0.7
167.10745	0.7
177.09207	2.0
180.98097	1.6
189.17572	0.3
191.01968	0.6
191.10780	0.4
193.12343	8.0
194.12700	0.7
198.99185	1.1
211.13383	3.9
217.12418	0.3
225.00766	1.0
235.13423	2.1
241.00262	1.4
244.45665	0.2
253.14406	1.7
256.99728	0.5
259.01285	0.4
269.05533	0.3
287.06729	1.1
297.13455	1.0
307.12299	0.4
311.06528	0.3
403.05646	0.7
467.16025	0.8
579.15204	0.5
594.64813	0.3
629.21307	100.0
630.21680	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.263
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30915	0.2
59.01379	11.8
61.98832	0.7
65.04001	0.3
67.01900	0.4
71.01390	0.4
73.02975	0.3
80.05077	0.5
92.05054	0.7
94.06625	1.4
95.05047	0.8
96.96024	1.0
106.06663	1.3
107.03773	0.5
110.06137	5.8
111.06488	0.3
118.06649	0.3
120.04575	1.2
120.08210	3.3
121.05373	4.0
122.06140	26.1
123.06464	0.8
124.04031	0.3
130.06654	2.0
132.04562	0.6
134.06148	8.4
135.06465	0.5
144.04552	2.1
146.06126	0.6
147.06915	0.3
148.07626	0.3
157.64992	0.3
159.05690	0.9
160.04201	1.3
160.06447	8.8
161.04834	2.6
161.06778	0.3
162.05597	1.9
170.09784	0.5
172.07649	0.3
173.04836	0.8
174.05621	9.2
175.06056	0.5
187.06357	1.1
188.03587	0.5
188.07204	0.3
193.03824	0.9
196.11345	0.5
197.07193	0.9
198.08084	0.6
198.12836	0.9
199.08670	0.3
201.10277	0.8
203.05887	3.3
203.11948	1.8
204.06416	0.4
207.11070	0.3
209.07187	0.5
211.08760	0.7
212.09399	0.3
213.10345	41.5
214.10667	2.5
214.12453	0.7
215.11908	2.2
221.07191	0.3
223.08733	2.2
224.09290	0.3
225.10307	3.9
226.11111	4.3
227.11835	0.8
231.88757	0.3
233.12846	0.6
235.08742	0.6
236.09541	1.4
237.10379	1.2
239.11894	19.9
240.12212	1.7
241.13469	22.1
242.13814	1.8
247.08813	0.6
249.10326	0.9
250.11072	0.3
251.11871	4.3
252.12354	0.5
253.09956	0.5
253.13205	0.4
257.13034	0.4
261.10608	0.4
263.08163	0.7
265.09784	0.5
265.13324	0.3
267.11401	1.6
271.10840	1.0
275.08035	0.3
275.11938	0.5
276.09097	0.4
277.09799	1.0
278.10556	0.8
279.11069	0.3
281.09216	1.7
282.09961	0.7
283.10898	5.0
284.11234	0.5
285.12439	100.0
286.12793	9.8
291.11368	1.5
292.11984	0.4
293.12909	6.9
294.13364	0.7
301.12021	4.4
302.12579	0.3
311.10379	2.2
312.11258	0.9
313.11859	1.7
314.12854	1.4
315.13632	0.7
325.11972	1.2
325.16983	0.3
326.12985	0.5
327.10190	0.6
327.13904	0.6
328.10880	3.6
328.14761	1.0
329.11536	0.6
329.15494	1.6
330.16180	2.5
331.16608	0.4
338.13080	0.5
339.13733	0.6
340.10992	0.9
341.11710	1.5
341.15442	0.6
342.12384	1.7
342.16263	1.5
343.13126	6.8
343.16574	0.3
344.13742	1.2
344.17722	2.8
345.18323	2.4
346.19217	0.8
352.14691	0.5
353.15256	0.6
354.12408	1.6
354.16153	4.3
355.13022	2.1
356.14066	10.1
356.17654	0.4
357.14697	2.6
358.15582	0.5
368.14111	0.4
368.17776	2.7
369.14450	1.9
369.18420	1.1
370.15610	17.9
371.16333	6.1
372.17212	6.2
373.17548	0.9
377.17340	0.3
380.14044	0.6
382.11887	2.7
383.12625	1.6
384.13147	2.9
384.17328	1.2
385.13388	1.4
385.18668	1.3
386.19128	0.4
389.13559	0.4
396.13010	1.3
397.14026	1.6
398.15112	14.9
399.15424	2.8
400.16653	0.4
403.15353	6.3
404.15765	0.9
411.16022	0.4
412.16653	9.7
413.17361	7.8
414.17935	1.5
416.16037	1.1
417.16803	0.5
428.16110	1.0
445.16483	0.9
456.15869	0.4
457.16321	0.6
467.24570	0.7
477.19388	0.3
479.25397	0.4
481.22552	1.6
485.25653	2.2
491.24423	0.9
493.22461	5.7
494.22803	1.4
497.21826	0.4
509.25552	1.0
511.23434	10.7
512.23859	2.7
523.23535	4.3
524.23682	1.1
529.24017	0.5
535.23468	20.0
536.23718	4.3
537.21808	0.4
538.22101	0.9
539.22736	0.3
553.24524	58.8
554.24927	12.9
555.23889	0.4
556.23376	2.6
557.23724	1.2
561.21881	0.5
567.22186	1.5
568.22992	0.6
579.22504	8.9
580.22784	2.1
585.27563	1.0
586.27533	0.4
597.23566	73.0
598.23907	17.6
599.24976	1.0
611.25360	4.1
612.25409	1.1
629.26312	34.3
630.26532	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	629.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61415	0.2
53.30550	0.3
54.38448	0.3
57.09982	0.3
59.01376	1.5
62.20919	0.2
65.24844	0.2
69.97781	0.6
69.98211	1.1
71.01375	1.3
73.02958	0.4
75.00883	0.5
79.95744	6.2
80.96540	1.7
85.02958	0.8
87.00896	0.3
89.02444	0.9
95.95246	6.1
96.96022	79.9
98.20582	0.4
101.02461	1.3
109.91019	0.3
113.02508	0.4
120.01221	0.9
122.97604	1.0
138.97101	2.9
150.97069	1.2
152.98605	0.3
159.03014	0.3
164.98636	0.5
168.98186	0.5
177.04097	2.7
180.98132	0.7
194.99667	0.3
198.99202	1.0
213.00787	0.6
222.99309	0.3
225.00758	0.9
241.00246	4.0
256.15015	0.3
256.99783	2.3
259.01230	0.8
354.08481	0.3
449.15051	1.7
467.15918	0.9
629.21326	100.0
630.21680	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	629.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59129	0.5
57.03444	3.8
59.01379	10.4
61.98825	5.2
68.62230	0.5
69.88138	2.9
71.01378	5.5
72.99312	1.3
73.02940	2.6
74.02443	0.5
75.00869	2.6
78.95888	0.7
79.95740	7.5
80.96527	2.1
83.01392	1.5
85.02953	7.5
87.00877	1.7
88.98801	0.7
89.02448	3.4
89.42249	0.4
92.39689	0.5
95.01384	1.1
95.95245	2.9
96.96020	82.5
97.02978	0.6
98.95609	1.2
99.00864	1.4
99.04523	1.4
101.02451	4.9
103.00417	0.7
108.02195	0.5
109.02979	0.7
111.00896	0.5
113.02469	3.6
115.00410	0.9
119.03507	1.2
119.05035	0.8
120.01260	4.1
120.99656	0.8
121.02949	0.8
122.00797	0.9
122.97591	0.6
125.02454	1.2
128.03566	0.8
129.01941	1.2
129.10378	0.9
130.08755	9.4
135.04532	0.9
137.02527	0.6
138.97072	1.5
143.03546	0.7
144.87785	0.6
147.02986	0.9
149.02534	0.7
149.04546	0.7
150.97128	1.3
152.98622	0.7
157.13477	1.2
160.04047	0.5
161.02512	0.7
161.04570	1.7
161.08232	2.9
163.04047	1.0
165.01939	1.7
165.03949	0.6
165.05470	0.5
173.33801	0.6
175.98196	0.5
177.04041	0.8
180.04221	0.8
180.98099	1.6
181.05020	1.3
182.15508	1.3
189.01956	0.6
191.01952	2.6
191.03464	0.5
195.06631	1.8
199.18135	6.3
200.18571	0.6
204.07681	0.6
206.08124	0.6
209.02879	0.9
217.14424	1.4
225.00797	0.7
225.07683	1.2
225.11272	0.8
241.00223	6.7
241.05075	1.7
242.00317	0.6
243.13301	2.2
243.17114	45.0
244.17418	2.0
249.05995	0.9
256.07455	1.1
256.99622	2.4
267.07169	1.9
271.09698	2.8
283.01367	0.7
301.03287	0.6
305.07010	0.8
305.10352	0.7
306.07428	1.5
307.12131	0.9
338.09625	0.8
375.82489	0.6
379.19678	1.6
449.08755	0.6
449.14691	1.1
451.16333	1.1
481.17831	0.6
543.19147	0.6
629.21136	100.0
630.21442	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	627.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05249	0.9
59.01369	4.3
61.98835	5.2
71.01376	2.3
71.73203	1.6
73.89355	0.8
80.29238	0.9
83.01404	0.8
85.02957	1.3
96.96017	4.2
101.02441	1.2
101.66035	0.9
108.79477	0.9
110.06129	5.5
122.06097	1.3
134.06163	4.6
134.74152	0.9
136.40178	0.8
147.04593	1.0
177.63426	0.9
224.23955	0.9
239.11841	1.2
247.08655	1.0
255.03056	1.5
263.08420	0.8
271.02448	2.6
275.08353	1.4
276.08777	1.0
285.12503	1.1
289.09857	2.8
300.02795	2.7
326.13004	2.3
328.14447	1.2
340.10919	2.9
340.14539	2.6
352.11038	2.0
353.12103	3.6
354.12585	3.7
354.16434	1.8
355.12994	1.1
356.14044	12.0
357.14468	1.9
366.12469	6.4
367.09448	2.0
367.13501	2.6
368.14142	13.9
369.14438	2.6
370.15692	6.2
378.12381	2.2
380.10373	16.0
380.14847	1.4
381.10968	11.1
381.15021	1.4
382.11563	2.8
382.15744	17.9
383.12317	2.0
383.16336	3.0
384.17075	6.9
393.14856	1.2
394.11951	4.3
395.12820	4.4
396.13535	100.0
397.13943	15.6
409.00162	0.9
410.09744	1.4
410.15115	18.1
411.15863	63.4
412.16364	15.2
413.13852	2.9
414.14667	5.6
415.15216	4.3
428.16177	1.0
429.13290	1.4
442.17725	10.5
443.14523	16.5
444.15213	2.5
455.14853	24.0
456.15353	4.2
456.22742	0.9
465.35867	1.7
475.17810	4.4
479.20731	1.0
487.17371	2.8
499.34476	1.0
505.22220	1.2
509.22177	1.8
510.23090	1.3
521.22266	5.3
522.22137	1.3
533.21942	14.8
534.22009	4.3
551.22925	61.7
552.23035	13.6
553.24506	6.1
554.24536	1.6
565.24786	16.4
566.25098	3.6
577.21320	1.2
583.16058	1.4
583.25641	46.1
584.25928	11.2
595.22021	52.8
596.22321	13.3
627.24707	64.7
628.24939	18.4
657.08728	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1892
Annotation	Eucalmaidin D
Peak:m/z	Relative Intensity
50.46413	0.3
57.03455	0.5
59.01375	3.8
61.98830	2.6
63.02415	0.8
65.00349	1.0
70.75124	0.8
71.01408	1.3
73.02995	0.3
77.70072	0.4
79.54808	0.3
79.95763	0.4
83.01424	0.9
85.02974	1.4
88.63496	0.4
88.98823	0.5
89.02468	0.5
91.01921	0.5
95.01437	0.5
96.96022	4.8
98.20164	0.6
101.02444	0.5
106.06638	0.6
107.01397	2.3
107.02011	0.2
107.15720	0.3
108.02200	0.9
109.02991	1.3
111.04572	0.3
113.02489	0.8
119.01424	0.4
119.05099	0.4
121.02987	2.0
122.06156	0.8
124.01698	0.3
125.02414	0.3
135.00938	1.0
137.02420	0.3
138.05588	0.5
148.01720	1.0
149.02492	0.4
149.04601	0.4
150.05620	1.5
151.00391	11.0
153.01991	0.5
160.04077	1.0
160.52560	0.3
161.04601	0.4
163.00365	3.2
164.01236	0.4
165.02031	0.4
169.01469	1.0
169.08711	0.4
174.03247	0.5
175.04022	0.4
178.99849	5.4
180.00285	0.5
183.04536	0.5
187.04065	0.5
189.01894	0.4
190.02684	0.5
198.03264	0.7
199.04066	1.8
201.01950	0.7
201.05588	0.3
203.03714	0.5
211.04007	1.1
215.03581	1.0
216.04257	0.8
226.02722	4.7
227.03484	4.5
227.11665	0.3
228.04105	0.4
229.04993	0.7
239.03328	0.3
241.09947	0.5
241.13222	0.3
242.02090	0.3
243.02974	17.4
244.03276	2.1
245.04485	1.1
254.02196	4.9
255.02971	23.7
256.03421	1.9
257.04532	0.4
259.10858	0.4
269.12762	0.3
271.02457	83.6
272.02890	8.9
273.03976	1.1
283.02493	1.5
285.12527	0.6
291.11551	0.5
299.01968	1.6
300.02753	100.0
301.03452	43.6
302.03931	2.7
313.11890	0.7
343.04333	0.6
463.08795	7.1
464.09018	0.9
468.17593	0.9
505.26639	0.7
553.23975	0.5
585.23505	0.6
597.23242	0.6
611.22955	0.4
629.18774	98.8
630.19128	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.4
57.03451	3.5
58.00580	4.3
59.01378	100.0
60.01727	1.5
61.98817	2.1
69.03449	3.5
69.56683	9.5
69.57096	1.8
71.01384	70.3
71.70547	0.9
72.99332	7.0
73.02966	1.2
75.00867	2.5
79.95753	7.9
83.01398	2.2
84.43060	1.2
85.02953	19.9
87.00900	5.3
88.98814	2.2
89.02451	96.6
90.02783	1.5
93.03452	3.6
95.01399	5.4
95.95248	7.7
96.59303	1.0
96.61209	1.3
96.96020	40.9
98.71506	1.2
99.00923	1.5
101.02454	35.2
109.02972	3.2
109.08687	0.9
111.00861	1.3
113.02461	30.3
114.02786	1.9
115.00384	1.3
119.03516	36.9
121.02956	2.6
125.02472	1.7
129.01965	1.6
131.03519	3.1
134.03752	2.8
135.04514	1.2
137.02454	4.0
143.03520	11.7
149.02437	3.0
149.04561	2.9
149.06134	3.1
150.03206	2.2
150.97044	1.7
151.00363	4.1
161.02399	1.3
161.04556	10.7
165.05568	2.9
175.04132	1.2
177.01915	3.5
177.04118	1.7
178.99916	1.7
179.05629	46.5
179.07202	2.6
180.05927	2.2
185.00882	2.0
185.11649	1.1
189.02022	1.8
189.05580	2.7
191.01865	2.6
191.03490	1.4
194.05936	1.0
195.06676	1.4
195.13951	2.1
201.01880	1.0
209.08078	1.4
226.02737	1.8
227.03647	1.3
241.00153	6.3
243.02992	2.8
246.52589	1.0
253.04906	1.1
255.02893	3.5
256.99768	2.0
271.02484	14.9
272.02774	1.6
281.04398	1.5
283.02545	2.9
297.04010	2.2
298.05157	1.3
299.02048	8.5
300.02689	21.6
301.03568	16.6
301.06934	1.4
302.03815	1.8
305.03030	1.3
326.04257	5.7
327.04926	3.1
341.06656	4.2
433.07739	39.4
434.08142	6.2
450.09503	1.6
459.09381	5.9
465.11838	5.7
547.19989	1.3
583.14355	2.2
609.21118	1.2
627.21149	22.2
628.22021	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	627.2109
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
70.88472	0.5
71.18032	0.2
73.02950	1.1
83.55289	0.2
83.95770	0.2
85.75662	0.2
97.12186	0.2
104.33698	0.2
123.90361	0.2
134.68372	0.2
324.51901	0.2
368.95203	0.2
436.11246	0.2
437.12103	1.0
438.13232	1.6
439.13644	0.4
450.13266	0.3
451.14044	1.6
452.14850	4.3
453.15384	1.1
465.15482	1.2
466.16400	0.7
467.17310	0.3
469.11783	0.2
478.12509	0.2
479.17703	0.6
480.13513	0.9
481.15018	9.3
482.15192	2.1
483.21005	0.3
484.14072	0.6
492.17990	0.3
493.15405	1.6
494.15918	0.6
495.16733	16.6
496.17010	5.3
497.17801	0.3
498.15384	0.4
502.14545	0.3
507.15793	0.9
508.17841	3.0
509.18277	1.8
510.18945	0.5
512.13324	1.4
513.13446	0.3
518.15747	0.4
519.16541	0.4
521.14026	0.9
522.15704	0.7
523.16882	1.1
524.18683	0.4
525.16290	0.2
526.14929	1.1
527.15332	0.3
528.16425	0.4
533.18317	0.8
534.17566	0.2
535.16150	1.7
536.16925	3.4
537.17285	0.8
539.15576	0.7
540.16913	3.4
541.16156	0.9
550.15686	0.3
551.19318	38.4
552.19586	11.6
553.17352	0.8
554.17847	1.4
555.18677	0.7
556.19531	0.3
567.19019	0.7
568.16626	0.8
572.15564	3.0
573.15814	0.7
583.22034	0.4
586.17059	2.5
587.17383	0.7
595.18347	7.7
596.18549	2.3
627.21094	100.0
628.21375	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3092
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22506	0.5
55.01883	2.4
57.03185	0.8
57.03452	13.9
59.01379	24.0
61.98836	5.2
68.99813	1.2
69.03458	1.8
71.01389	7.7
71.73274	0.7
72.99310	2.4
73.02946	1.3
75.00883	2.6
78.95913	7.6
79.95746	0.9
83.01393	3.5
84.02165	2.1
85.02959	100.0
86.03298	2.0
87.00900	1.7
88.04047	0.4
89.02450	1.1
95.01418	0.5
96.96027	8.3
96.96972	0.9
97.02950	0.8
99.00900	1.6
99.04568	0.5
101.02424	2.9
103.00394	1.5
111.00909	4.6
113.02437	1.3
115.00378	0.8
125.02499	0.5
126.32710	0.5
129.01959	13.1
131.50337	0.5
137.72571	0.5
147.03015	14.0
152.99597	6.1
173.00964	4.4
185.00929	1.5
191.01991	59.2
192.02397	1.9
197.11821	1.7
198.99194	0.7
209.03099	1.6
211.13342	0.8
223.00179	0.5
241.01183	3.5
259.02252	0.7
267.30991	0.5
271.22806	1.3
291.19632	3.0
309.20782	4.0
315.04828	0.7
415.27209	1.1
418.17740	1.9
433.28082	4.9
462.16769	1.1
475.22803	0.5
494.19263	2.2
581.23676	0.6
594.21143	2.0
607.29724	2.8
608.30695	0.6
625.27161	15.9
626.32294	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	625.3455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.1
57.03442	4.9
58.00595	1.2
59.01370	16.6
61.98812	1.1
68.99813	1.3
69.03439	1.5
70.88416	1.6
71.01384	14.7
72.01683	0.4
72.99314	4.6
73.02946	2.9
73.03280	0.5
75.00876	11.5
80.53215	0.4
81.03438	0.8
83.01382	1.8
84.02161	0.6
85.02954	22.5
87.00890	4.4
87.04501	0.8
88.98807	0.5
89.02457	7.3
93.03458	2.4
95.01401	4.2
95.05032	0.5
96.96022	4.1
97.02958	1.1
97.06594	0.6
99.00890	6.6
101.02464	5.1
103.00349	1.2
107.05074	0.6
109.02942	2.8
111.00889	1.2
111.08144	0.9
113.02457	12.9
114.02756	0.6
115.00344	1.4
117.01933	1.8
118.50806	0.4
119.03511	1.5
121.02975	2.1
123.08092	1.1
125.02458	1.9
129.01978	2.6
129.09248	0.5
135.08141	0.8
137.02478	0.8
139.04031	0.8
139.11295	0.6
141.12770	0.5
143.03519	0.4
145.02951	0.7
147.00896	0.7
147.03018	0.7
148.01682	0.8
149.02455	1.0
151.00302	0.9
153.09251	0.4
157.12289	1.3
159.00851	2.0
161.02438	1.0
161.04530	0.9
165.12886	5.1
169.12370	1.5
175.00446	2.1
175.02434	1.3
176.01108	1.4
177.01933	2.5
179.05630	0.7
183.13910	32.4
184.14258	2.1
185.11794	3.1
188.01111	1.7
189.02019	0.6
191.01968	5.7
191.03549	0.8
202.99855	15.0
204.00089	0.7
209.11841	0.6
211.03990	1.4
214.99792	0.6
215.12869	1.4
216.00658	4.0
217.01324	1.1
221.19014	1.2
222.19472	0.5
225.05444	0.5
227.03545	0.7
227.12862	4.0
230.99327	0.6
231.05013	1.2
235.02423	5.4
247.02406	0.8
249.03702	0.8
249.06131	10.0
251.03555	0.5
253.05063	0.8
255.03023	2.2
263.01883	2.0
265.17947	0.5
267.02835	0.5
267.07190	0.6
268.03793	0.7
269.04584	0.9
271.02386	1.3
279.03006	1.1
280.03983	0.6
281.00955	0.8
281.04520	0.7
282.01718	0.7
283.02512	2.6
283.19128	1.3
295.02460	1.9
296.03232	0.9
297.04025	3.1
300.02753	0.5
301.20276	3.3
307.02490	4.7
308.02820	1.0
309.03909	0.7
311.01917	1.1
323.01959	4.1
324.02585	1.9
325.03479	4.2
326.03943	0.6
327.25342	0.5
329.23230	1.7
335.01926	0.6
341.06610	0.5
352.02325	3.0
353.03027	12.3
354.03394	1.2
355.25034	0.6
357.26392	3.1
373.25818	2.6
375.27502	53.8
376.27869	7.4
377.06750	0.7
383.99979	0.5
384.04858	12.5
385.05630	23.0
386.05945	2.0
397.13242	1.7
403.05688	1.0
405.05911	1.3
415.14548	1.3
433.24432	2.0
447.08530	1.0
478.09015	5.2
479.10013	2.8
480.10016	0.5
493.28714	1.0
521.33337	3.7
531.11359	31.0
532.11688	6.9
607.25122	0.6
607.33813	0.7
625.15326	16.1
625.26721	32.2
625.34491	100.0
626.15723	4.2
626.26996	7.0
626.34875	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	625.273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.7
57.03448	1.5
57.81987	0.3
58.00604	0.8
59.01379	24.4
61.98827	0.9
69.03463	1.3
71.01388	16.0
71.19337	0.9
72.01735	0.5
72.99322	1.3
73.02943	2.6
75.00888	0.8
77.10377	0.4
79.95733	0.3
81.03459	0.6
83.01398	2.5
83.05025	0.7
85.02961	5.4
87.00878	2.7
88.98818	1.4
89.02454	12.7
95.01388	0.9
96.96021	2.3
97.02973	2.0
97.06621	0.5
99.00899	1.2
99.04502	0.4
101.02457	11.8
102.02807	0.5
102.47124	0.3
103.00407	0.5
104.24211	0.3
109.02962	0.4
111.00890	0.8
111.04534	0.5
111.08215	0.7
113.02454	5.3
119.03517	2.6
119.58482	0.3
125.02462	2.8
129.09193	0.4
131.03569	0.5
133.05063	0.3
141.01883	0.3
143.03506	1.5
150.03252	0.7
153.01918	0.4
161.04628	1.9
165.05594	0.9
165.12862	9.5
166.13184	0.5
179.05612	1.1
183.13914	65.0
184.14221	4.2
191.01981	0.4
209.11783	0.7
215.21269	0.3
221.06648	0.9
227.12892	7.5
228.13280	0.6
235.08200	1.8
253.09271	0.6
285.25900	0.3
375.27332	1.1
377.28918	0.6
397.13486	4.8
415.14594	3.2
493.28140	0.5
505.90796	0.3
520.31964	0.8
521.33185	7.1
522.33746	0.8
539.34277	1.3
581.35333	1.0
607.25885	0.9
615.02594	0.4
619.28992	0.3
625.27191	100.0
626.27637	17.4
649.19623	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.0
55.71346	0.6
57.03450	5.3
58.00590	1.4
59.01368	23.2
61.77795	0.5
61.98825	2.1
65.00340	0.6
68.99818	0.7
69.03459	2.1
71.01382	23.7
71.11674	1.2
71.12029	0.7
72.99313	4.1
73.02952	4.1
75.00872	11.0
81.03455	0.9
83.01392	2.5
85.02959	26.0
86.03323	0.8
87.00881	6.7
88.98823	1.5
89.02451	11.4
93.03481	4.1
95.01397	4.6
96.96036	3.8
97.02967	2.0
97.06583	1.2
99.00885	7.9
101.02460	11.2
103.00382	1.8
104.02702	0.9
107.01392	0.6
109.02945	3.4
111.00899	1.7
111.04543	0.6
111.08162	0.8
113.02459	19.9
113.09707	0.6
115.00401	1.5
117.01945	2.0
119.03520	2.4
120.01294	0.8
121.02959	3.7
123.08165	0.7
125.02453	3.9
125.09673	0.7
129.01962	2.7
135.00934	0.7
139.04005	1.8
139.11246	0.8
141.12862	0.7
143.03534	1.1
145.02927	0.7
147.00815	0.8
147.03117	0.7
147.04550	0.6
148.01718	0.9
149.02458	1.7
149.94316	0.5
150.03223	1.2
151.00381	1.9
153.09280	0.5
157.12337	2.0
159.00908	2.7
161.02475	1.3
161.04610	1.1
165.05600	1.5
165.12866	8.1
166.13248	0.9
167.03484	1.0
169.12285	1.3
175.00389	4.4
175.02496	1.8
176.01126	1.7
177.01907	3.2
179.03592	0.6
179.05568	0.8
183.13907	60.9
184.14191	3.9
185.11835	2.9
187.00380	1.0
188.01131	2.2
189.01936	1.9
191.01997	6.5
191.03572	1.3
202.99861	21.4
204.00327	1.0
209.11774	0.6
211.04051	1.8
214.99950	0.7
215.12889	1.0
216.00644	9.3
217.01338	1.3
221.06735	0.7
221.19225	0.8
225.05539	0.7
227.12869	8.4
231.05048	0.7
235.02406	9.9
235.08331	1.0
237.05577	0.7
239.03558	1.0
239.86232	0.5
240.04106	0.6
247.02495	1.0
248.03178	0.9
249.06136	9.5
251.20087	0.6
253.05103	1.5
255.03035	4.0
263.01636	3.4
265.18094	0.7
267.02951	1.6
268.03711	1.3
269.04529	1.3
270.01550	0.9
271.02487	2.2
279.03088	3.0
280.03741	1.4
281.00983	1.0
281.04459	2.5
282.01605	1.3
283.02408	4.9
283.19037	1.3
284.03015	0.9
295.02478	4.2
296.03235	1.5
297.04031	4.9
300.02786	1.4
301.03409	1.0
301.20163	3.9
307.02448	8.4
308.03082	1.6
309.04095	1.3
311.02051	1.2
323.01883	7.1
324.02783	3.3
325.03519	5.6
326.04184	1.3
329.23428	1.9
339.04910	1.2
341.06613	2.1
352.02286	6.1
353.03000	22.1
354.03391	2.8
355.24744	0.7
357.26608	3.4
373.25916	2.2
375.27518	54.4
376.27808	5.6
377.06674	1.5
384.04865	20.0
385.05618	37.3
386.06021	4.8
397.13470	3.5
403.05347	0.6
405.06064	2.2
415.14539	2.1
433.24466	2.2
447.08670	0.9
478.09000	7.1
479.09814	5.3
493.28275	1.9
521.33142	5.3
522.33411	0.9
531.11407	55.3
532.11646	9.6
539.33936	1.3
559.70007	0.8
581.35510	1.0
593.13812	0.6
599.50861	0.6
607.25739	1.2
625.15570	33.7
625.26904	71.3
625.34680	100.0
626.16022	8.4
626.27161	12.4
626.35004	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.7
57.03438	2.1
59.01380	12.0
60.27369	0.4
61.98832	6.3
69.03484	0.5
69.84693	1.8
71.01384	5.9
72.99324	0.8
73.02957	2.2
75.00863	0.8
78.95918	1.9
79.95744	3.3
80.96515	0.5
83.01399	1.4
84.02150	0.3
85.02959	15.6
86.03304	0.6
87.00893	1.0
89.02423	1.5
90.43761	0.3
93.03436	0.3
95.01387	0.5
95.95263	1.2
96.96021	43.6
97.06562	0.4
98.28971	0.3
99.00880	1.2
99.04483	0.5
101.02460	4.3
103.00371	0.4
111.00893	0.7
113.02467	2.6
119.03520	0.5
122.97569	1.0
125.02435	0.5
129.01900	1.6
138.97058	2.4
143.03525	0.4
145.02980	0.4
147.02975	1.7
150.97110	0.5
151.00359	0.6
152.99615	1.5
159.02982	0.4
161.04553	0.7
173.00911	0.5
180.98170	1.2
191.01985	9.2
192.02275	0.6
198.99246	0.8
210.99037	0.4
225.00710	2.1
229.64554	0.3
241.00798	0.6
256.99652	0.6
267.07190	0.4
271.02454	0.5
291.19644	0.9
300.02673	0.9
301.03238	1.6
302.03598	1.3
303.03949	0.8
309.20599	0.7
372.54309	0.3
403.05557	0.6
418.17789	0.5
433.27966	1.0
547.51019	0.3
581.32031	1.9
582.31592	0.3
594.20532	0.6
607.30103	0.6
625.25409	100.0
626.25677	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	625.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
66.81773	3.4
69.81348	19.1
69.81757	9.9
71.01385	49.6
72.01733	4.7
72.99319	6.4
73.02941	26.2
75.00880	9.1
79.95755	3.9
83.01392	11.7
84.69588	3.3
85.02956	31.3
87.00890	5.0
89.02454	18.4
93.03413	4.0
95.01407	3.5
96.96024	39.7
101.02465	33.2
109.02941	4.3
111.49454	3.3
113.02472	29.6
119.03553	5.3
121.02967	8.2
122.03777	6.4
123.04504	4.1
125.02466	6.1
129.01997	4.8
133.02982	6.5
134.03751	5.9
135.04549	4.7
136.01646	3.9
137.02454	16.0
139.04037	4.8
139.11325	6.1
143.03490	6.0
149.02448	33.8
149.06076	7.2
150.03239	70.2
151.03879	8.3
161.04546	12.4
162.03242	15.5
163.04019	6.7
164.04773	16.6
165.05568	66.2
166.02826	3.8
166.06371	18.6
174.03236	7.7
175.03893	4.2
177.05630	18.1
179.07057	6.3
180.04318	6.7
181.05138	8.1
181.08691	8.9
183.10521	4.0
189.05609	11.8
191.01894	5.6
195.06621	47.5
207.06651	7.2
209.08038	3.9
209.11830	13.5
249.06165	8.5
300.02686	4.2
316.02115	8.2
325.12781	11.8
329.14050	17.3
359.14993	4.5
386.15347	4.5
391.13977	11.6
406.16141	10.0
421.18713	95.0
422.19009	5.9
463.08743	15.0
472.34509	3.8
473.18161	58.0
474.18536	7.6
491.19263	23.9
493.19193	29.6
533.20148	40.1
534.20636	9.8
581.22620	20.0
582.23169	7.7
625.23431	24.7
626.23163	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	625.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
66.81773	3.4
69.81348	19.1
69.81757	9.9
71.01385	49.6
72.01733	4.7
72.99319	6.4
73.02941	26.2
75.00880	9.1
79.95755	3.9
83.01392	11.7
84.69588	3.3
85.02956	31.3
87.00890	5.0
89.02454	18.4
93.03413	4.0
95.01407	3.5
96.96024	39.7
101.02465	33.2
109.02941	4.3
111.49454	3.3
113.02472	29.6
119.03553	5.3
121.02967	8.2
122.03777	6.4
123.04504	4.1
125.02466	6.1
129.01997	4.8
133.02982	6.5
134.03751	5.9
135.04549	4.7
136.01646	3.9
137.02454	16.0
139.04037	4.8
139.11325	6.1
143.03490	6.0
149.02448	33.8
149.06076	7.2
150.03239	70.2
151.03879	8.3
161.04546	12.4
162.03242	15.5
163.04019	6.7
164.04773	16.6
165.05568	66.2
166.02826	3.8
166.06371	18.6
174.03236	7.7
175.03893	4.2
177.05630	18.1
179.07057	6.3
180.04318	6.7
181.05138	8.1
181.08691	8.9
183.10521	4.0
189.05609	11.8
191.01894	5.6
195.06621	47.5
207.06651	7.2
209.08038	3.9
209.11830	13.5
249.06165	8.5
300.02686	4.2
316.02115	8.2
325.12781	11.8
329.14050	17.3
359.14993	4.5
386.15347	4.5
391.13977	11.6
406.16141	10.0
421.18713	95.0
422.19009	5.9
463.08743	15.0
472.34509	3.8
473.18161	58.0
474.18536	7.6
491.19263	23.9
493.19193	29.6
533.20148	40.1
534.20636	9.8
581.22620	20.0
582.23169	7.7
625.23431	24.7
626.23163	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	625.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.5
55.70422	0.4
57.03443	2.7
59.01377	15.7
60.01722	0.6
61.98833	3.4
63.02401	2.8
65.00323	5.3
68.99813	0.5
69.03445	0.6
71.01385	7.8
71.05000	0.5
71.73162	0.9
72.99297	1.5
73.02934	2.1
73.19967	0.4
75.00866	2.7
79.95750	3.7
80.96515	0.6
83.01390	6.0
83.05009	0.4
85.02959	9.5
87.00889	2.1
88.98794	1.5
89.02440	3.7
93.03476	4.8
95.01399	1.8
95.95246	2.7
96.96021	24.2
97.02944	0.9
98.95562	0.4
99.00887	1.6
99.04519	0.6
101.02459	3.7
103.00363	1.5
107.01405	8.7
108.02204	0.8
109.02963	1.8
111.00897	1.3
113.02464	5.2
115.00354	0.9
119.03513	0.6
119.05088	0.6
120.01276	0.8
121.02943	0.9
123.00862	0.6
124.01700	4.4
125.02495	6.0
129.01962	1.3
134.03781	0.9
135.04498	0.9
137.02448	1.3
139.03984	0.7
143.03525	0.9
145.02965	1.5
147.03030	0.7
147.04526	0.7
149.02425	0.6
149.04558	0.7
150.03276	0.8
151.00388	29.0
152.01175	12.9
153.02005	2.5
160.01685	0.6
161.02397	1.1
161.04568	1.0
163.00377	1.2
163.04044	0.7
164.01067	0.5
165.01933	4.6
165.05577	1.0
165.12881	2.7
169.01448	4.2
173.02451	0.5
175.02469	0.8
175.03972	0.6
177.04077	0.8
178.99883	18.2
179.10814	0.5
180.00201	1.2
183.13919	11.7
184.14206	0.6
191.01962	1.8
192.00578	1.0
193.01414	0.9
193.05060	0.7
199.04062	0.6
201.01985	1.7
202.02780	0.5
203.03522	1.0
204.04248	2.5
205.04866	0.6
207.04562	0.6
209.11957	0.6
211.04060	0.8
213.05698	0.6
214.02722	0.5
215.03590	0.6
219.04504	0.4
221.08217	0.6
222.99234	0.5
223.03949	0.7
224.04858	1.0
225.01945	0.8
225.05525	3.3
227.03413	0.9
227.12903	1.7
235.03885	0.9
236.04749	0.5
237.05757	2.1
238.06377	0.5
239.03484	0.7
239.07118	1.0
241.00194	2.8
241.05072	0.6
241.14517	0.8
243.02925	0.7
249.06032	1.6
251.03415	0.8
253.05003	2.7
254.02266	0.5
254.05423	0.5
255.02927	2.4
255.06546	0.5
256.99728	1.4
263.03513	1.4
264.04108	0.5
265.05011	1.3
266.05600	0.5
267.03012	1.3
267.06714	1.4
269.00873	2.2
269.04541	0.5
271.02490	2.3
277.05072	0.5
279.02859	0.8
281.04477	1.1
283.02365	1.8
284.03055	0.6
285.04013	0.6
293.04565	0.6
295.02591	1.6
295.06055	10.6
296.06540	1.1
297.03986	1.5
299.01974	3.9
300.02722	3.8
301.03491	1.6
301.20151	1.0
308.03250	0.9
309.04196	2.4
309.07443	0.7
310.04498	0.6
311.02023	4.6
315.06967	0.8
325.03369	2.1
326.04092	0.6
327.05023	1.0
333.07675	0.6
335.02087	2.5
336.02368	0.7
337.07187	0.7
345.04083	0.7
353.03024	11.4
354.03696	3.2
357.26563	0.5
373.03607	2.1
375.27493	5.0
376.27896	0.7
383.06052	0.6
385.05826	2.0
387.05087	1.0
388.05524	0.8
389.02734	1.0
405.06229	6.4
406.06516	1.0
418.03168	3.6
419.03650	4.6
429.06216	2.3
433.24820	0.5
447.07199	100.0
448.07547	15.4
453.17996	1.5
461.08823	4.1
479.09970	4.9
493.28189	1.9
495.19034	1.9
505.33615	0.7
520.32117	1.8
521.32990	6.0
531.11426	7.9
532.11401	1.3
537.19989	0.6
539.17987	1.1
539.34186	1.0
565.09967	7.9
566.10016	2.1
581.35120	1.0
593.12952	23.4
594.13495	4.9
624.33160	1.0
625.15955	14.5
625.27051	13.9
625.34680	10.5
626.16925	2.0
626.27301	1.8
626.35889	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.0
57.03451	4.4
58.00588	1.2
59.01366	24.5
60.52241	0.6
61.98829	2.2
65.00317	1.1
68.99820	1.0
69.03454	1.5
69.60777	0.9
69.61184	4.4
71.01388	20.4
71.05049	0.7
72.99310	2.5
73.02950	4.5
73.11172	0.6
75.00878	3.3
78.95931	0.7
79.95741	1.0
81.03497	0.7
83.01395	2.8
83.05036	1.2
85.02961	17.9
87.00876	4.6
87.97772	0.6
88.98813	1.8
89.02458	13.3
89.03004	1.0
91.01926	0.8
93.03469	6.7
95.01407	3.2
96.96025	7.5
97.02950	3.1
99.00879	2.9
101.02457	12.8
103.00395	1.0
104.02712	1.4
108.02202	1.2
109.02964	6.6
111.00921	1.0
111.08193	1.4
113.02467	9.3
115.00378	1.2
115.01919	1.0
117.01928	1.1
117.03502	0.8
119.03501	2.6
119.05038	1.0
121.02979	5.6
123.04556	0.7
124.01691	0.7
125.02454	5.2
128.14946	0.6
129.01956	2.6
131.03505	0.7
133.02998	1.7
135.00893	1.4
135.04524	0.7
137.02437	1.0
139.04012	1.7
143.03526	0.9
145.02977	1.8
147.00952	1.6
147.03033	0.8
147.04576	1.0
148.01686	2.8
149.02452	4.5
150.03230	1.7
151.00389	2.3
153.01883	0.8
159.00922	5.2
160.01302	0.7
161.02490	3.8
161.04594	1.9
163.00444	1.2
163.04120	0.8
163.11382	0.7
165.05585	1.7
165.12857	11.0
167.03531	1.9
169.12309	1.3
175.00389	7.0
175.99622	0.7
176.01117	4.5
177.01941	6.8
178.02437	0.8
179.05640	0.8
183.13916	76.1
184.14275	2.4
185.11801	1.1
187.00395	1.2
188.01169	4.0
189.01923	2.3
191.01978	5.2
191.03557	1.4
196.05347	0.6
202.99870	44.1
204.00241	2.8
209.06052	1.3
209.11806	0.6
211.03966	2.7
211.09779	1.0
214.99817	1.8
216.00623	15.2
217.01352	1.8
221.06618	1.3
221.18979	0.9
224.05342	0.6
225.05582	1.6
227.03496	2.6
227.12842	10.4
230.99283	2.1
232.76265	0.6
235.02423	18.4
235.08177	1.4
236.02902	0.8
237.05551	0.8
239.03555	2.2
240.04100	1.3
241.05051	0.6
242.02246	0.7
243.03026	1.3
244.00220	1.4
247.02510	1.6
248.03220	1.5
249.06139	2.5
251.03601	1.0
253.05186	3.0
254.02327	0.6
255.02948	7.3
256.03589	1.1
263.01770	5.4
265.18115	0.8
267.02866	2.7
268.03683	2.1
269.04501	2.5
270.01810	0.7
271.02472	2.7
279.03006	4.7
280.03690	2.2
281.00952	2.7
281.04535	3.6
282.01825	1.0
283.02499	9.2
283.19131	1.3
284.03104	2.0
295.02463	7.0
296.03098	2.3
297.04013	9.4
298.04419	1.2
299.02182	0.8
300.02698	1.1
301.03522	1.3
301.20224	4.1
306.01730	0.7
307.02496	16.7
308.03122	2.9
309.00677	0.6
309.04059	1.5
311.02130	2.7
323.01993	12.8
324.02621	6.0
325.03534	11.9
326.04025	2.1
327.05148	1.0
335.01962	1.9
339.05069	1.3
341.06689	3.0
352.02216	13.0
353.03009	41.7
354.03394	4.0
355.04459	0.7
355.14075	1.8
357.06241	0.7
357.26569	0.9
360.96494	0.7
373.15024	1.0
373.26016	0.7
375.27509	14.7
376.27841	1.6
377.06900	1.2
384.04889	39.7
385.05621	63.8
386.06039	6.4
397.13474	4.4
405.06122	3.7
406.06293	0.8
415.14532	3.4
433.24417	1.9
446.06128	0.9
447.08481	1.1
478.08997	14.9
479.09689	9.2
480.10129	1.2
493.28851	1.2
499.08517	1.1
517.09973	0.9
520.31940	1.2
521.33197	9.4
522.33759	1.3
531.11401	98.4
532.11719	16.3
539.34375	2.1
565.22650	1.0
581.35553	2.2
607.25891	1.6
624.33307	1.1
625.15851	58.7
625.27179	100.0
625.34955	19.0
626.16211	12.3
626.27557	11.3
626.34760	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	625.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.1
57.03429	2.4
59.01381	25.0
60.01682	1.2
61.98518	0.5
61.98833	6.4
62.43123	0.6
63.02395	1.0
65.00335	2.9
69.03445	1.5
69.21025	0.5
69.96222	1.2
69.96629	3.2
71.01386	14.1
72.99290	1.2
73.02955	4.5
75.00853	2.5
78.95882	2.1
79.95739	2.9
80.96513	0.9
83.01395	3.6
83.05027	0.8
85.02464	0.7
85.02961	12.3
86.03246	0.9
87.00896	2.7
87.04507	0.6
88.04025	0.8
88.98790	1.3
89.02458	5.4
93.03483	5.4
95.01363	1.8
95.95203	2.2
96.96026	29.9
96.96967	1.7
97.25195	0.5
98.19926	0.5
98.20433	1.3
99.00903	3.5
99.04471	0.9
101.01865	0.9
101.02447	8.3
103.00343	0.7
107.01408	4.9
109.02932	2.5
111.00853	1.3
113.02458	6.5
115.00370	0.6
116.92879	0.6
119.03500	1.5
119.04964	1.1
120.01236	1.0
121.02959	5.4
125.02423	2.2
129.01912	1.8
131.03424	1.0
132.03029	0.7
137.02400	1.6
138.97046	1.1
139.03983	2.4
143.03474	1.1
143.05006	0.8
145.02997	3.5
147.00772	0.7
147.03020	0.6
149.02464	4.8
149.04474	1.4
150.03192	0.8
151.00397	16.1
152.00729	0.6
153.01955	0.7
155.10762	1.0
159.04445	1.6
161.02365	1.1
161.04503	1.6
163.00377	5.3
163.03981	0.7
165.05605	0.9
167.03471	0.7
169.01421	0.8
171.04419	0.6
175.00276	2.0
175.03949	0.8
176.01108	0.7
176.98248	0.8
177.04128	2.7
178.99860	4.6
181.06418	0.5
183.04474	2.6
187.03990	2.7
189.01945	1.1
189.99089	0.7
190.99954	0.8
191.01912	2.0
192.00504	0.8
193.01424	0.7
193.04987	0.7
194.99591	0.6
195.04527	0.6
197.06010	1.7
198.03091	0.6
201.01872	1.0
201.05565	3.1
202.99809	4.4
205.05176	0.6
211.03877	2.1
213.05489	1.6
215.03447	0.7
216.00609	0.9
217.01341	0.8
223.03831	0.8
224.04752	0.8
225.05582	6.1
227.03300	1.8
228.04033	1.4
229.04958	2.2
231.02838	0.5
235.02118	0.6
235.17058	3.0
239.03365	0.9
240.04079	0.9
241.00163	3.0
241.04929	2.2
242.02115	1.9
243.02803	1.1
249.06035	1.5
251.03271	0.7
251.16371	1.3
253.05031	5.2
254.05481	0.7
255.00531	0.7
255.02988	11.3
256.03363	1.5
256.99658	1.3
257.04504	1.0
267.02783	2.4
267.07050	1.2
268.03598	2.0
269.04532	13.3
270.01462	2.2
270.04544	1.1
271.02524	2.8
279.02911	1.6
281.04422	1.8
283.02499	5.4
284.03265	1.2
285.03995	2.7
295.02353	2.1
296.02972	1.0
297.04037	7.7
300.02634	1.0
301.03357	1.4
301.20078	1.0
307.02222	1.0
309.03937	1.0
311.01767	2.5
311.05106	0.6
313.03534	5.7
314.04028	1.9
325.03366	2.5
326.04205	0.7
327.01208	1.2
327.04865	1.3
329.06689	0.8
333.07468	1.4
335.01892	0.7
340.02249	3.0
349.06958	2.4
353.03076	11.2
354.03110	1.0
355.04663	0.8
357.05859	0.9
359.05545	1.0
359.28003	1.1
361.07043	0.8
369.09698	0.9
372.04706	1.5
373.06775	1.3
375.27295	1.5
376.27881	1.3
377.06714	6.5
384.05005	3.0
385.05649	12.3
386.05807	1.4
389.06360	1.1
401.06784	0.8
405.06168	51.7
406.06564	8.6
413.21854	13.1
414.21793	1.6
418.06772	2.8
419.07733	21.5
420.07968	3.1
445.05576	0.8
447.07220	29.3
448.07391	4.3
449.08456	2.1
462.16641	0.8
463.13776	1.0
477.28061	1.9
478.09033	54.3
479.09793	56.6
480.04535	0.7
480.10187	7.8
493.28421	3.2
494.18942	1.1
503.31613	1.0
504.32654	4.3
505.33490	3.4
521.33282	4.1
522.33301	1.4
531.11365	4.9
537.19745	0.8
538.33081	0.8
539.34015	1.0
545.26080	17.4
546.25879	2.4
564.34406	0.7
580.34174	4.7
581.34430	3.5
593.12805	1.3
624.32977	1.3
625.15259	100.0
625.33057	6.4
626.15607	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	623.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08787	1.3
57.03451	4.5
59.01381	100.0
60.01703	1.6
60.96230	1.2
64.99337	1.2
67.01921	1.5
68.99857	1.6
69.03439	1.7
69.45343	13.8
71.01385	30.7
72.99321	5.1
73.02955	5.3
75.00871	17.7
79.95749	2.5
83.01406	3.6
85.02961	33.2
87.00876	8.2
89.02454	10.2
94.75438	1.3
95.01411	5.0
95.95245	2.2
96.96021	13.8
99.00911	10.7
99.04557	1.4
100.65772	1.4
101.02473	7.4
103.00384	3.6
111.00892	2.8
113.02462	33.4
113.68861	1.3
115.00430	2.1
115.04057	1.8
117.01957	3.0
122.00567	1.5
129.01967	3.1
137.09708	2.6
143.03537	1.5
155.10768	1.6
161.04599	2.6
174.88849	1.5
175.02571	3.2
191.01964	1.6
207.13942	6.2
209.02919	2.1
209.11845	1.7
222.20688	1.6
225.15051	6.7
231.05067	3.4
249.06149	35.7
250.06461	1.7
267.07208	14.7
269.13831	2.7
309.08298	7.5
315.71243	1.7
399.13324	2.2
400.14105	3.0
447.09482	1.8
457.20895	6.9
475.21985	39.4
476.22125	5.5
491.15231	2.4
501.19968	3.1
507.88083	1.7
519.20782	40.3
519.31689	22.9
520.21027	3.4
520.31940	2.4
537.21991	4.5
537.32886	5.7
561.22137	3.7
579.23010	93.0
579.32465	3.7
580.23108	15.8
617.12018	1.5
623.20923	8.2
624.20947	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	623.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.7
59.01377	15.6
59.39064	0.7
61.46336	0.7
61.98827	14.7
61.99337	0.9
63.02394	2.6
63.03455	0.7
65.00316	4.4
69.03467	0.9
69.71809	0.6
71.01386	7.0
72.88085	0.7
73.02958	1.3
74.89265	0.6
79.95742	1.4
83.01408	3.2
85.02968	4.8
87.00885	2.2
88.04061	0.8
88.98828	1.1
89.02469	1.2
91.01883	0.9
93.03481	1.6
95.95222	0.8
96.96014	11.8
97.02978	0.7
98.95590	1.7
99.00861	1.1
101.02457	2.3
107.01402	8.6
108.02221	1.7
109.02961	4.7
113.02472	2.4
116.92882	1.8
117.03428	1.2
119.01421	1.0
119.03538	1.2
121.02969	8.7
124.01638	0.9
134.03763	17.2
135.00862	1.1
139.04063	0.9
143.04974	0.8
147.04552	0.8
148.01697	1.3
149.02493	1.6
149.04489	0.8
149.06073	1.4
151.00381	30.4
151.01596	1.7
152.00856	1.4
159.04449	1.3
160.01649	1.2
161.02501	1.4
163.00395	5.7
164.01122	1.1
169.01457	2.6
171.04550	1.3
175.04013	1.6
178.99872	15.9
182.55482	0.8
183.04623	0.7
185.06017	0.8
187.04008	1.4
191.02007	1.0
192.00635	1.0
193.05057	8.9
198.03162	0.7
199.04018	3.2
201.05602	1.4
201.40305	0.7
202.02783	0.8
203.03673	1.3
211.03957	2.4
215.03505	1.7
226.02562	1.3
227.03496	5.4
229.05057	2.1
239.03435	0.9
243.02943	11.0
245.04491	3.4
254.02328	1.8
255.02972	30.0
256.03387	2.2
271.02444	64.7
272.02924	6.8
273.04092	2.9
283.02463	3.7
299.01962	17.8
300.02750	97.7
301.03491	100.0
302.03946	8.5
315.05136	10.3
316.05289	0.9
429.08344	6.7
447.09277	8.3
447.25818	1.6
463.03693	0.8
491.27521	1.0
499.64371	0.7
537.22430	1.2
622.73615	1.0
623.14154	65.0
623.22906	3.8
623.33984	5.0
624.14581	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1632
Annotation	Isorhamnetin-3-Glucoside-4'-Glucoside
Peak:m/z	Relative Intensity
55.01921	0.6
57.03501	2.0
59.01383	15.3
71.01388	6.5
71.73209	0.7
72.99367	1.1
73.03000	1.4
75.00886	4.3
77.25531	0.5
83.01450	1.5
85.02954	7.8
87.00962	2.4
89.02527	1.8
91.96449	0.6
95.01466	1.8
96.96020	5.1
99.00970	2.4
101.02463	1.2
107.01463	1.4
111.00985	0.7
113.02454	4.8
116.82488	0.6
117.02024	0.8
120.01352	0.7
121.03097	0.7
129.02057	2.4
139.04105	0.8
151.00400	4.9
151.04080	0.7
152.01190	0.8
161.04616	0.7
163.00412	0.8
163.04068	1.2
164.01231	0.6
165.04068	3.6
167.03625	1.0
167.04991	0.7
171.04692	0.8
175.02673	0.9
175.04076	3.0
180.04353	1.6
181.05197	0.7
181.12387	4.0
183.04633	1.2
187.04041	0.8
188.04854	0.8
189.05670	1.2
190.06473	2.6
191.02086	2.4
191.07256	2.5
193.05154	1.9
194.05904	1.5
199.03989	5.8
205.05196	1.1
205.08716	3.3
207.06781	1.1
208.07430	1.7
209.03078	1.3
215.03568	2.1
225.11389	1.8
226.02692	0.8
227.03456	5.4
242.02165	2.8
243.02980	24.0
244.03621	2.2
249.06131	3.4
254.02258	1.1
255.02977	17.4
256.03485	1.4
257.04617	2.3
259.06177	1.1
267.07260	3.7
270.01703	3.5
271.02469	46.5
272.02979	7.2
285.04007	6.0
286.04852	2.0
287.05713	2.2
299.01987	41.0
299.68524	0.7
300.02734	45.7
301.03043	3.2
313.03317	0.8
314.04327	37.2
315.05090	100.0
316.05402	8.8
357.06195	0.9
389.16064	15.4
390.16309	1.7
404.22791	0.6
419.17392	0.8
475.17474	7.0
519.20935	4.2
519.31628	3.9
535.14197	0.7
537.32721	0.9
547.46136	0.7
579.23163	6.7
580.23090	0.8
623.15936	95.0
624.16217	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	622.4187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99147	0.4
61.98831	100.0
65.21842	0.4
67.02735	0.4
70.57876	1.6
108.10149	0.4
114.80952	0.4
208.55693	0.4
214.16077	0.4
300.88651	0.4
518.22986	0.6
553.20605	0.4
622.27771	0.9
628.84045	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.4183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85051	0.3
59.65438	0.2
60.33536	0.3
61.98830	100.0
70.59429	1.0
89.71600	0.3
94.74407	0.3
98.20087	0.4
110.00647	0.2
114.46275	0.3
206.97813	0.3
474.35211	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.2
56.85044	1.0
57.03435	3.8
58.00573	2.5
59.01380	75.6
61.98832	1.3
63.65065	1.0
69.03460	1.8
69.55092	10.2
69.78668	0.9
70.48913	1.0
71.01385	34.4
72.99294	2.4
73.02951	13.9
78.77258	0.9
81.03450	0.9
83.01388	6.0
83.59479	1.1
85.02959	14.8
85.06611	1.2
87.00887	3.4
87.04514	2.6
89.02454	18.7
91.45803	1.0
95.01399	3.2
96.96027	6.9
97.02927	1.6
97.06586	1.0
97.08389	1.1
97.39599	1.0
99.00893	4.0
101.02455	21.0
109.02965	1.5
111.00893	3.1
113.02460	19.6
113.03240	1.7
119.03510	8.0
123.08161	1.4
125.02409	2.7
125.09696	1.6
125.72810	1.0
137.02457	2.9
137.09698	2.4
143.03397	2.1
143.10745	1.3
149.04546	1.6
151.00356	4.2
152.77325	1.1
153.09262	1.9
155.10846	1.6
161.04625	5.1
166.01427	1.8
166.02744	17.5
167.10736	1.2
175.44211	1.1
179.05603	3.2
181.05113	19.4
182.05411	1.4
187.13454	1.2
215.12828	1.2
216.13640	3.8
267.07156	1.5
300.02789	1.3
337.23718	1.3
355.24860	10.7
373.26068	8.1
387.10800	4.0
402.13132	2.3
417.15564	31.2
418.15955	5.6
457.27954	1.5
499.28928	2.9
517.30164	100.0
518.30518	12.9
535.31165	25.1
536.31641	3.1
559.31165	1.6
577.32471	10.9
578.32916	1.5
621.30688	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.1
57.03442	3.1
58.00583	2.8
59.01379	100.0
60.01709	2.1
64.99178	0.9
69.79229	6.5
71.01385	50.0
71.74007	0.9
72.99311	5.4
73.02950	6.4
73.46466	1.0
75.00881	7.9
76.06281	1.0
79.95744	1.6
83.01378	4.2
85.02959	20.3
87.00874	7.6
89.02450	46.5
90.02760	1.2
95.01394	4.6
95.95263	1.2
96.49268	1.1
96.96020	27.3
98.95589	2.7
99.00883	4.7
101.02454	25.1
104.50627	1.1
113.01705	2.0
113.02462	32.7
117.01971	1.3
119.03510	12.9
119.71432	1.1
119.83065	0.9
120.01272	1.3
125.02459	1.6
129.01889	2.6
131.03484	4.2
143.03522	4.4
149.04544	3.7
151.00305	1.3
161.04588	7.1
161.09732	1.4
165.04039	1.9
166.02704	3.0
174.79288	1.1
175.02434	1.9
176.03819	1.7
179.05634	7.3
179.10803	2.8
181.05075	4.7
193.38678	0.9
200.48824	0.9
216.82693	1.0
220.10092	1.0
249.06087	5.9
254.03363	1.0
267.07138	12.3
286.61530	1.1
355.21014	1.7
407.10342	1.1
417.15482	4.2
429.17596	4.0
473.16379	15.3
474.16742	2.2
488.22763	1.3
490.30841	1.3
517.19214	2.4
517.26453	43.5
518.26782	7.5
535.27588	25.6
536.28204	5.3
577.20837	3.0
577.28748	11.1
578.28894	1.7
621.19916	24.5
621.30292	9.3
622.04987	1.3
622.19708	4.8
622.29987	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	621.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98873	0.9
55.01883	1.2
57.03447	2.7
58.00597	2.0
59.01379	100.0
59.13388	0.9
67.43417	0.9
71.01389	48.8
71.43016	2.0
71.65889	0.9
72.01723	1.8
72.99297	4.6
73.02955	7.5
75.00868	6.0
83.01401	4.3
85.02963	16.1
87.00881	7.2
89.02453	44.5
95.01396	3.9
96.96021	17.1
98.95606	2.4
99.00893	3.9
101.02459	25.9
103.00417	1.5
113.01696	2.0
113.02465	32.2
114.02775	1.1
119.02765	1.8
119.03526	17.9
125.02473	1.8
129.01953	1.2
131.03546	1.8
143.03505	4.5
147.03050	1.3
149.04568	2.3
155.76038	1.0
161.04610	7.2
165.04036	1.5
176.03857	1.3
179.05608	8.6
179.10765	2.1
181.05009	2.1
191.01817	1.3
193.07071	0.9
221.98802	1.2
249.06091	3.4
267.07196	11.6
302.86966	0.9
334.39127	0.9
417.15448	2.0
429.17630	1.8
455.17297	1.5
473.16251	8.5
474.17105	1.4
517.19849	1.7
517.26453	41.0
518.26843	5.0
535.27673	28.2
535.35742	1.9
536.27795	4.3
577.28943	11.2
578.29010	2.4
621.19910	16.8
621.30444	6.7
622.19891	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	621.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52008	0.2
56.69797	0.2
57.03445	0.6
59.01380	8.3
61.95366	0.2
61.98846	0.3
67.01875	0.3
69.03440	0.4
69.62434	1.9
71.01388	3.3
71.05037	0.4
73.02954	1.5
75.00883	0.2
78.95918	0.2
79.95741	0.2
81.03454	0.3
83.01422	0.5
84.02221	0.4
84.52682	0.2
85.02947	1.9
87.00892	0.8
89.02465	1.6
95.01414	1.0
95.95192	0.2
96.96020	2.6
97.06590	0.3
98.95599	0.6
99.00906	0.6
101.02431	1.6
107.05114	0.3
108.02209	0.2
109.02982	1.9
111.00925	0.6
113.02437	2.0
119.03519	0.4
121.02990	0.5
123.00885	1.8
123.04514	0.6
124.01710	0.2
125.02469	1.0
125.16303	0.3
135.04561	0.4
137.02457	8.4
137.09741	0.3
138.03099	0.3
139.00380	0.3
139.04012	0.6
147.04501	0.3
149.02473	1.0
149.06038	0.3
150.03275	0.5
151.00388	16.2
151.04019	1.0
152.01239	1.3
152.04814	2.5
153.02005	0.3
153.05591	0.7
154.02760	0.3
159.04501	0.3
161.02409	0.3
161.04573	0.6
163.04042	0.6
164.04863	0.4
165.01927	0.9
166.02728	55.0
167.03276	3.7
175.04060	1.1
175.07707	0.3
177.01964	2.7
177.05505	0.6
178.02672	0.5
179.03537	0.5
179.05725	0.3
181.05078	68.2
182.05417	3.6
184.03767	1.0
187.04083	0.3
189.05580	0.4
190.02689	0.5
190.06389	1.0
191.03503	0.9
192.04272	1.3
193.05034	1.4
194.97525	0.2
195.02995	0.4
205.05017	0.8
205.08743	1.0
206.05794	0.4
207.06543	1.4
209.04555	0.5
224.03093	0.3
243.16011	0.4
249.06049	0.3
267.07181	0.3
311.09662	0.3
329.10144	0.5
341.10519	0.3
355.24719	0.5
357.09637	0.4
359.11346	1.8
371.15125	0.6
387.10846	13.2
388.11221	1.8
402.13202	6.5
403.13571	0.7
417.15552	100.0
418.15860	13.7
499.29056	0.6
517.30341	4.6
518.30450	0.8
530.04364	0.3
535.31958	1.3
536.31744	0.3
561.19904	0.4
577.32343	0.8
621.21301	0.4
621.30713	1.4
622.31293	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	5.6
57.03436	8.1
57.59012	1.7
59.01378	96.9
60.01691	2.0
61.98852	3.6
64.47607	2.2
68.99819	3.6
71.01382	65.5
71.05029	3.6
72.99290	12.1
73.02944	12.7
75.00877	42.1
79.95757	3.4
81.03452	2.8
83.01415	4.0
83.05042	2.3
85.02958	69.3
85.67403	1.8
87.00896	21.3
87.04517	2.3
89.02451	23.9
93.03424	2.2
95.01392	12.8
96.96025	34.7
98.20658	5.8
98.95605	6.9
99.00903	19.0
99.04565	4.4
101.02437	15.6
103.00392	7.0
111.00901	4.2
113.02461	78.1
114.02780	2.6
115.00409	7.5
117.01952	5.9
119.03515	3.2
120.01283	2.1
127.04084	1.9
129.01968	8.3
131.03590	3.0
135.11841	4.4
138.01613	2.1
138.97102	2.3
147.03023	4.0
149.04559	4.6
157.01500	3.4
159.08151	6.0
161.04533	4.9
161.09784	9.4
165.04082	9.0
166.99519	2.2
175.02509	5.5
179.10805	16.8
179.14450	8.8
191.02039	2.7
205.12277	2.6
207.05101	5.1
223.13458	2.7
229.99602	2.4
231.05147	2.4
241.00360	2.1
249.06146	45.8
250.06419	2.1
267.07187	100.0
268.07507	6.8
276.13498	2.1
300.02762	4.0
301.03461	6.9
355.25159	3.5
429.17661	15.0
447.09082	4.0
473.15845	91.7
474.15909	11.4
517.19312	22.9
517.30518	16.1
518.19537	3.9
519.27039	2.6
535.20581	4.0
535.31024	6.7
539.18311	4.2
541.17993	2.8
563.09900	2.1
577.21344	43.8
577.29761	3.6
578.21619	6.0
603.18970	3.7
620.30542	2.6
621.20483	99.0
621.30371	21.3
622.20581	15.0
622.29938	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	4.4
57.03445	5.1
58.00579	1.4
59.01092	1.7
59.01377	31.1
64.82422	1.0
67.01921	0.9
68.99821	2.0
69.76103	7.0
71.01383	38.3
72.99310	7.6
73.02947	3.2
75.00877	32.4
79.95753	2.1
83.01390	2.3
83.05022	0.9
85.02959	42.2
86.03299	1.3
87.00875	12.5
88.24572	0.8
89.02447	10.7
93.03471	1.9
95.01395	7.7
96.96022	24.7
98.95596	7.3
99.00896	15.3
99.04534	1.9
100.93874	0.8
101.02441	3.4
103.00396	4.3
108.04530	1.0
109.02976	0.9
111.00869	1.6
112.01743	0.9
113.02463	45.7
114.02760	1.2
115.00373	3.1
116.76807	0.8
117.01955	5.1
119.05030	1.8
120.01268	0.9
120.41740	0.8
124.03973	1.0
127.05181	1.1
128.03548	1.1
129.01971	5.1
130.08788	1.0
131.03549	1.5
133.10217	2.3
135.11797	6.8
138.97050	0.9
139.00410	1.0
147.03044	4.0
149.04549	1.6
157.01399	1.4
159.08145	1.4
161.09740	5.5
165.04060	8.6
175.02481	4.0
177.04018	0.8
179.10793	14.5
180.11151	1.2
191.02116	0.8
205.07199	1.5
205.12195	0.8
206.84660	0.9
231.05063	2.0
249.06142	25.3
250.06494	1.9
261.31351	0.9
267.07190	64.4
268.07526	2.9
429.17633	19.7
430.17828	1.2
473.16562	86.1
474.17007	11.4
517.18774	1.6
577.21619	4.5
603.19116	4.6
604.19647	0.9
620.30353	5.9
621.20410	100.0
621.30127	24.2
622.20935	18.8
622.30371	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	619.2577
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
51.03805	0.5
52.17805	0.6
61.98819	0.8
68.99831	1.1
79.02949	0.6
95.63521	0.6
102.77637	0.6
108.67971	0.5
111.05701	0.5
140.61832	0.6
332.68262	0.6
389.15048	0.5
401.14066	2.0
415.15799	2.4
416.16507	11.1
417.16568	1.3
429.17120	0.9
430.17978	2.3
431.18768	1.6
434.17575	0.8
444.15836	1.2
445.16016	0.7
458.17261	1.2
459.18240	100.0
460.18616	19.2
473.19812	16.2
474.20581	6.8
475.20145	0.7
485.16187	1.1
487.17328	0.7
500.18906	0.8
501.19360	1.6
503.17505	3.1
517.19055	1.2
518.19537	44.7
519.19983	7.2
532.21228	8.3
533.21887	84.7
534.22241	17.7
587.23108	6.5
588.23358	2.0
619.25745	82.7
620.26105	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	619.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.3
57.03441	2.0
58.00582	1.4
59.01378	65.0
60.01717	0.8
61.98845	0.8
62.08196	0.6
64.31210	0.6
64.46975	0.6
69.03477	1.0
69.53706	5.6
71.01384	27.6
72.99318	2.3
73.02950	6.3
75.00890	1.9
78.95885	1.1
79.95732	4.9
80.96533	2.0
83.01414	3.0
85.02948	10.0
87.00909	2.4
88.98843	0.9
89.02454	25.3
95.01422	2.6
95.95261	1.4
96.96018	75.5
98.95601	7.1
98.96259	0.8
99.00882	1.6
101.02453	16.3
113.02462	16.8
114.02877	0.9
114.57643	0.6
116.92897	1.1
119.03528	10.4
120.99724	0.7
122.97627	1.3
125.02530	0.7
127.96777	0.6
129.01979	1.1
131.03539	1.6
138.97118	3.0
143.03571	3.2
149.04591	2.1
150.03227	0.7
150.97046	1.1
151.54338	0.7
159.03012	0.7
160.01695	0.6
161.04582	7.1
165.04044	3.5
179.05646	9.0
180.98320	0.8
198.99240	1.2
241.00189	4.1
259.01358	0.7
300.02890	0.9
426.92371	0.7
433.08160	1.3
453.17953	1.3
515.24902	19.4
516.25635	2.5
517.26855	1.3
533.25952	10.5
534.26563	2.4
539.18427	1.9
559.27716	0.8
575.27325	3.2
577.29004	1.0
618.29309	1.7
619.30396	100.0
620.30731	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	620.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
61.89961	0.2
61.98830	100.0
71.65369	0.3
78.95912	0.6
79.40748	0.2
105.01994	0.4
111.75345	0.3
128.61186	0.3
147.21570	0.3
149.89975	0.2
152.99693	0.7
267.60364	0.3
278.22189	0.4
621.27771	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.1476
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	2.4
61.98828	6.2
63.36161	0.6
65.00361	0.9
65.58782	0.5
67.74826	0.5
69.57349	1.6
69.57771	3.5
71.01397	1.6
72.99332	0.9
75.00893	0.5
78.95918	0.9
79.95772	1.5
85.02950	4.4
87.00919	0.6
89.02501	0.6
96.96019	22.3
97.29773	0.5
98.95635	2.0
101.02470	0.6
105.03514	1.4
108.02210	0.8
109.02964	7.7
111.00925	0.8
111.04563	0.7
112.69636	0.5
113.02517	1.0
119.05170	0.7
120.01302	0.9
121.02966	3.4
123.00936	0.9
123.04557	2.9
131.05055	1.5
133.03038	0.9
134.03758	1.3
138.97092	0.6
139.04019	0.7
145.03032	0.5
146.03734	0.7
147.00969	0.6
147.04520	2.7
148.01717	0.6
149.02499	2.2
150.03290	1.5
151.03925	0.8
159.04552	2.2
160.01619	0.6
161.02483	2.3
162.03242	1.2
163.04028	0.9
164.07243	0.7
165.05589	1.8
166.05896	1.0
174.73526	0.6
175.00334	4.4
175.03917	2.8
176.01118	0.8
187.00368	1.2
189.01976	1.8
190.02693	1.7
191.01982	1.3
191.03522	8.8
193.05087	1.8
198.04912	0.7
199.04057	1.0
202.02785	2.6
203.03525	4.6
211.04082	1.7
217.01442	0.9
219.02977	5.0
225.05586	1.2
227.03491	2.2
231.02876	1.0
239.03488	1.1
239.07185	0.8
241.00171	2.7
241.05066	1.3
242.02316	0.9
243.03040	2.9
247.02322	0.8
251.03448	0.7
253.05095	1.9
255.02997	3.0
256.03589	1.6
259.04865	0.6
265.05048	1.0
266.05881	0.7
267.02982	1.0
267.06693	3.7
268.04184	0.7
268.07239	1.2
269.04501	3.5
270.01669	2.2
271.02466	5.6
279.02975	4.7
280.03552	0.8
281.04556	0.9
282.01694	1.5
283.02487	15.0
283.06104	10.0
284.03104	3.3
284.06262	1.0
293.04565	4.3
294.05228	1.7
295.02896	1.0
295.06100	6.7
296.03241	4.0
296.06357	1.4
297.04013	9.4
297.07193	1.0
298.04376	0.7
299.02002	2.3
300.02817	3.1
311.02051	1.7
311.05548	18.8
312.02527	1.7
312.06308	3.6
313.03549	0.8
313.06763	0.7
323.05557	0.8
325.03482	8.4
326.03857	1.7
339.04990	1.0
340.05869	75.2
341.06500	28.7
342.07043	2.2
355.04218	0.7
368.05258	6.6
369.06003	4.7
381.08521	3.8
382.09232	3.7
409.07950	1.7
409.20639	0.6
410.08734	1.2
444.73563	0.7
447.09225	1.5
470.97705	0.6
487.12433	44.3
488.12668	7.1
515.11853	5.2
528.15015	13.2
529.15332	4.0
556.14575	7.5
557.15057	1.1
559.10968	100.0
560.11237	17.6
574.15729	0.6
618.14691	22.3
618.23792	2.9
619.15692	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.4
57.03415	0.4
59.01388	1.8
67.62155	0.3
69.66339	2.0
69.66759	0.9
71.01379	1.0
73.02936	0.6
74.21798	0.3
78.95935	0.3
79.95739	4.4
80.96523	1.3
84.82706	0.3
85.02964	1.2
95.95229	3.6
96.96021	66.0
98.95603	1.0
101.02435	0.9
101.54821	0.3
103.45322	0.3
108.53191	0.3
111.28603	0.3
113.02520	0.5
115.92094	0.5
116.92890	0.8
122.97592	0.8
132.64375	0.3
138.68391	0.3
138.97095	2.2
143.46600	0.3
150.97089	1.0
152.98679	0.4
164.98547	0.4
169.01482	0.4
180.98169	0.5
191.01993	0.3
198.99164	0.8
222.99017	0.3
225.00887	0.4
241.00244	3.8
241.14406	0.4
256.99713	0.8
385.11786	3.1
386.12454	0.4
415.12592	1.5
429.14786	0.5
470.56607	0.5
529.23071	0.5
537.16986	0.5
569.26801	1.8
587.27362	0.8
617.28595	100.0
618.28912	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46570	0.6
59.01094	0.8
59.01379	12.5
61.98832	3.4
69.86127	3.5
71.01382	9.3
71.05011	0.5
72.99303	0.9
73.02959	1.4
75.00867	2.3
83.01405	0.9
85.02946	2.2
87.00911	0.7
88.98775	3.0
89.02446	11.0
95.01429	0.9
99.04533	1.0
101.02448	6.6
103.00378	2.1
103.04016	1.3
104.03577	0.7
108.94540	0.6
113.02460	5.2
117.05605	0.8
119.03525	6.5
121.04793	0.8
135.06635	1.1
143.03517	1.5
161.04573	3.9
179.05602	2.7
201.07771	1.1
207.98212	0.8
220.55637	0.7
263.04825	0.7
277.21710	100.0
278.22055	10.3
279.10840	11.9
297.11844	5.3
307.72189	0.7
314.49173	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45282	0.9
59.01380	34.4
61.98832	100.0
63.89116	0.7
69.90630	5.3
71.01397	4.4
73.02948	1.0
77.57003	0.7
85.02982	2.2
89.02455	1.1
93.00109	0.8
96.96000	3.8
98.20620	1.4
101.02442	1.7
101.84068	0.9
113.02473	1.2
125.09782	1.3
147.04538	1.4
161.04681	1.2
171.10316	3.4
174.26570	0.7
183.13980	2.1
194.82269	0.7
206.80057	0.7
234.55394	0.8
387.72586	1.0
467.30307	1.7
483.40402	1.0
484.46109	0.8
509.31125	1.6
525.30145	0.8
617.31750	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	617.2499
Annotation	Scutebarbatine J
Peak:m/z	Relative Intensity
57.03447	0.4
59.01383	4.5
61.98837	1.4
69.39233	3.9
71.01383	2.4
72.99293	0.5
73.02943	0.8
77.08234	0.3
78.95934	0.6
79.95741	5.0
80.69273	0.3
80.96529	2.0
81.37265	0.3
83.01393	0.4
83.78609	0.3
85.02960	1.4
87.17403	0.3
89.02449	1.2
95.95231	1.5
96.96021	95.2
98.95602	1.2
101.02460	1.5
101.72524	0.3
113.02459	1.5
119.03516	0.4
122.97545	1.0
125.02447	0.4
129.01930	0.5
137.02449	0.4
138.97086	5.7
149.02458	0.7
150.03244	2.8
150.97070	1.2
161.04527	0.5
164.98581	0.7
165.05595	2.7
168.98096	0.4
180.98125	0.9
181.04958	0.4
195.06676	1.7
198.99159	2.9
241.00223	4.6
243.02617	0.4
256.99713	0.5
259.01129	1.5
325.07068	0.4
328.09338	0.5
343.11627	0.4
366.86771	0.4
389.01865	0.3
391.13681	0.8
403.13867	1.0
437.18515	2.3
443.16180	0.4
476.14374	0.6
491.16501	1.1
529.22266	0.4
537.25189	0.5
539.18896	0.5
569.26996	1.6
587.26801	1.3
617.25128	100.0
618.25366	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	8.0
58.00576	0.9
59.01379	27.2
61.98825	2.2
67.01884	0.7
67.05514	1.5
68.99821	1.3
69.03461	9.7
69.43466	5.9
71.01385	23.6
71.05008	1.5
72.99311	8.0
73.02944	4.6
75.00877	22.5
78.95900	0.8
79.95744	2.2
81.03447	1.7
83.01400	1.7
85.02959	28.9
86.03310	0.6
87.00879	8.8
89.02460	5.9
95.01387	6.4
95.95233	1.3
96.96024	34.6
97.06651	0.5
98.20268	2.5
98.95577	0.8
99.00891	14.7
99.04517	2.0
99.92574	0.8
101.02459	4.5
103.00389	3.9
109.02888	0.7
111.00894	1.7
111.04536	27.5
111.08146	1.3
113.02464	33.6
113.06103	1.8
114.02771	0.8
115.00399	2.9
116.92916	1.2
117.01956	4.7
119.03532	0.7
119.05059	0.8
120.26675	0.6
123.04553	0.7
123.08189	0.8
125.09737	1.4
129.01978	2.8
131.03528	1.1
135.04543	0.8
136.66194	0.5
137.02443	3.4
137.09753	0.9
138.97089	1.6
139.11305	13.9
140.11626	0.9
149.04529	1.4
150.96973	0.6
153.36678	0.6
157.01454	1.3
160.04054	3.4
161.04533	0.5
164.98840	0.7
165.00526	0.9
165.01944	15.3
165.05586	1.2
167.03523	0.9
169.08755	0.8
174.01622	0.9
175.02487	4.9
179.03517	4.3
179.04860	0.6
179.05591	0.6
179.10736	0.7
180.04301	9.6
181.04539	0.8
181.08713	8.3
183.10271	16.8
183.11853	1.1
184.10609	0.7
193.03560	3.1
194.05983	0.9
195.06635	15.8
196.06996	1.0
205.07092	0.7
210.05336	1.3
225.07698	10.0
226.08113	1.0
227.12993	0.8
231.05119	1.6
241.00288	3.1
248.29829	0.8
249.06136	13.4
250.06381	1.0
267.07190	5.4
277.09747	0.7
293.13922	1.5
328.13000	0.9
341.10297	0.8
344.12708	0.9
359.15030	1.9
360.15137	0.8
367.21207	0.9
371.15079	1.8
373.14780	0.6
413.14334	1.8
415.16278	1.5
431.15610	4.2
433.17169	18.5
434.17352	1.3
447.09424	1.2
527.21509	0.9
529.23053	1.9
530.23950	0.7
535.31305	4.8
536.31342	1.2
555.25134	0.9
567.22253	6.8
568.22888	1.5
571.25616	2.6
579.25128	0.6
585.25580	27.5
586.25964	4.4
597.25531	100.0
598.25916	20.0
615.26831	99.5
616.27435	16.4
616.37500	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	615.2477
Annotation	RP 66453
Peak:m/z	Relative Intensity
57.03448	1.5
59.01375	22.6
61.98828	21.7
63.89614	0.5
67.68706	0.5
69.03445	1.1
71.01378	6.8
71.73560	0.5
71.74010	0.5
72.99303	1.4
73.02944	1.9
73.93124	0.5
75.00874	1.9
79.95742	2.0
80.05088	0.6
81.03402	0.5
83.01389	1.5
83.05013	0.8
85.02956	4.0
87.00863	1.3
88.04054	1.0
89.02461	2.7
92.05106	0.6
95.01372	0.9
96.96020	22.3
98.95591	1.1
99.00874	1.1
101.02450	3.3
103.00369	0.8
106.06624	1.3
108.04549	0.7
110.06100	0.9
111.04504	0.7
113.02449	2.9
116.92869	0.9
119.03521	1.0
120.04551	1.1
120.08212	2.8
121.05333	2.4
122.06136	15.7
125.02505	1.3
129.01941	0.8
134.03665	0.6
134.06122	2.5
135.47638	0.5
136.07629	0.6
136.29909	0.5
137.86856	0.5
139.03993	1.3
145.49821	0.5
146.06099	0.6
149.04536	0.9
150.03268	0.7
151.00517	0.7
155.10823	0.6
160.06441	7.5
161.04512	0.9
164.98621	0.7
165.01875	1.1
165.05579	0.6
174.01772	0.8
181.08640	1.0
183.10266	0.9
185.06062	0.8
187.04091	0.7
194.04060	0.7
195.06564	0.6
197.07159	0.7
198.12892	0.7
211.08682	0.8
213.10330	35.9
214.10670	2.5
214.12509	0.8
223.08603	0.7
225.10028	2.9
226.11121	3.2
227.07202	0.9
231.61899	0.5
239.11880	7.6
241.00124	1.8
241.13451	23.1
242.13835	1.9
243.06706	0.6
251.11864	1.5
255.11409	0.7
257.12927	2.3
258.13281	0.9
265.13409	0.8
267.07159	0.9
267.11508	1.3
267.14996	6.1
271.06046	6.3
285.12433	100.0
286.12750	10.0
300.02103	0.7
311.14145	0.9
328.10947	0.7
329.15271	2.3
330.15665	0.8
340.80481	0.7
341.11349	0.6
342.12360	0.8
343.13187	0.7
357.14749	0.9
358.15451	3.0
367.21100	0.7
372.17139	1.8
386.18597	1.6
387.19269	1.7
430.17685	0.7
431.18460	0.7
438.19281	0.8
493.14774	0.7
499.23413	1.3
509.25510	1.0
527.26288	3.5
528.26904	0.6
529.23413	4.2
541.24872	3.2
542.24597	0.8
553.24487	16.1
554.24713	3.4
571.25586	63.4
572.25885	14.6
597.19318	1.1
597.25848	1.0
615.23926	9.2
616.25024	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	615.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92087	0.2
57.03446	0.2
57.56315	0.2
59.01376	1.8
61.98829	0.9
66.11173	0.2
69.53782	0.7
69.54202	1.1
71.01383	1.7
72.99310	0.4
73.02943	0.4
75.00884	0.3
78.94339	0.2
79.95742	5.1
80.96521	1.7
83.01408	0.2
85.02963	1.1
87.00876	0.3
88.04070	0.3
88.94030	0.2
89.02448	0.8
95.95238	3.6
96.96019	67.2
97.95977	0.3
98.95540	0.2
101.02462	0.7
109.02949	0.2
110.60870	0.2
113.02463	0.5
120.01270	0.2
122.97569	1.0
122.98390	0.2
125.02396	0.2
128.03545	0.3
129.01955	0.3
129.75317	0.2
133.61685	0.2
138.97087	2.0
150.97086	1.0
164.98581	0.5
177.04100	0.3
180.04262	0.2
180.98120	0.5
191.02031	0.3
195.06606	0.3
198.99191	0.8
211.94814	0.2
216.47382	0.2
222.99257	0.2
223.47285	0.2
225.00748	0.6
237.35516	0.2
241.00238	3.9
256.99695	0.6
299.04657	0.3
329.93207	0.2
419.13843	1.3
421.15323	0.3
435.11102	0.4
435.16809	2.2
453.17957	0.7
527.32141	0.2
583.16547	0.3
615.23401	100.0
616.23718	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61210	0.2
53.14692	0.2
55.79195	0.2
57.03449	0.3
57.72625	0.2
59.01377	2.3
59.58472	0.2
61.98827	1.6
68.40666	0.3
69.43245	2.3
71.01386	1.9
72.99296	0.3
73.02961	0.2
75.00873	0.4
79.95737	4.3
80.96536	1.3
83.01388	0.4
85.02953	1.6
87.00871	0.5
87.05655	0.3
88.04046	1.4
89.02444	1.1
95.95249	3.4
96.89841	0.2
96.96018	68.3
99.00851	0.3
101.02451	0.8
113.02453	0.5
119.03507	0.2
120.01258	0.4
120.86147	0.2
122.97605	0.8
127.05102	0.3
128.03546	0.7
129.06712	0.6
136.01747	0.2
138.97079	2.3
140.05338	0.2
149.06219	0.2
150.97072	1.2
164.98682	0.3
166.08731	0.5
177.04126	1.2
180.98126	0.7
181.05032	0.2
191.02020	0.5
198.99118	1.1
209.09335	0.5
213.00496	0.2
225.00847	0.6
235.69362	0.2
241.00223	3.6
254.05498	0.3
256.99765	2.0
267.14352	0.3
298.14117	0.6
307.12402	0.4
379.10757	1.1
419.13599	0.3
435.16913	6.6
436.17197	1.0
437.18634	0.6
452.24786	0.3
453.17984	0.8
585.28668	0.5
615.23303	100.0
616.23596	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.4
59.01383	1.7
61.98829	3.6
71.01388	1.2
71.12228	0.2
72.99318	0.3
75.00871	1.1
79.95749	4.7
80.96527	1.0
83.01408	0.3
85.02958	1.0
87.00866	0.5
87.04526	0.4
89.02441	0.5
95.95246	0.9
96.96022	80.7
97.95979	0.5
98.20688	0.4
98.95602	0.4
101.02460	1.4
111.03109	0.3
112.18405	0.2
113.02484	0.6
121.05810	0.2
122.97614	0.6
125.02448	0.4
138.97095	0.9
150.97075	0.8
151.00356	0.3
152.98625	1.3
160.03961	0.4
167.08112	0.3
169.01479	0.4
180.98187	1.6
198.99174	0.4
199.64482	0.2
216.06702	0.3
225.00722	0.3
229.81943	0.3
237.14954	0.5
241.00218	4.3
255.02905	0.5
256.99704	1.4
271.02521	0.8
285.02814	0.5
300.02826	2.1
301.03458	0.8
379.10678	0.6
421.15320	0.3
435.16779	0.6
453.18045	0.5
463.08777	0.6
535.71045	0.3
555.34418	0.3
615.23401	100.0
616.23743	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.3
57.03435	0.6
59.01374	3.8
61.98831	3.8
69.58539	0.5
69.58954	1.6
71.01389	4.0
73.02944	0.9
75.00880	0.6
79.95738	3.2
80.47583	0.2
80.96523	1.1
83.01387	0.9
85.02959	2.2
85.84641	0.2
87.00863	0.5
87.04525	0.6
89.02451	1.9
94.98083	0.3
95.01389	0.4
95.95232	1.0
96.96021	60.7
97.95974	0.2
98.95589	0.5
99.00893	0.4
101.02453	2.5
108.90816	0.3
113.02471	1.2
119.03503	0.6
120.54190	0.2
122.97593	1.1
125.02449	0.4
131.03522	0.4
137.02446	0.7
137.11943	0.3
138.97092	2.1
150.97093	0.5
161.04559	0.6
180.98074	1.2
198.99216	0.7
221.06569	0.6
225.00703	1.2
237.14999	0.8
241.00272	2.0
245.09364	0.5
272.08893	0.3
305.10602	0.3
347.08652	0.2
403.05264	0.4
423.19479	0.3
435.09427	0.3
453.18033	1.0
615.23431	100.0
616.23755	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.2
59.42607	0.4
61.40887	0.4
69.03461	0.6
71.01394	2.5
72.99315	0.5
73.02959	1.4
79.38083	0.3
79.95742	6.7
80.96526	1.9
80.98551	0.3
84.45162	0.4
85.02953	1.2
87.00852	0.4
88.73959	0.4
89.02472	0.7
95.95235	6.7
95.95798	0.5
96.96021	94.0
97.95946	0.4
98.95608	1.1
99.00909	0.6
101.02433	2.0
108.20428	0.4
111.00855	0.5
113.02484	0.9
113.99586	2.1
115.00352	0.9
122.97585	0.7
138.97098	3.4
141.95740	0.4
150.97105	1.8
151.97795	0.6
152.98589	0.5
156.00653	2.8
164.98586	0.9
167.99570	0.3
174.01704	5.8
177.04054	3.2
180.98117	0.9
194.99736	0.4
198.99155	1.9
213.00681	0.7
222.99025	0.5
225.00690	1.2
241.00235	6.4
256.99701	4.5
300.02637	0.4
379.10477	0.5
391.10236	0.4
419.13824	0.9
435.16913	21.0
436.17245	2.5
437.18185	1.5
453.17905	0.5
511.21762	0.8
535.23584	0.5
559.16785	0.8
567.24805	0.5
585.24872	1.4
615.23340	100.0
616.23602	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1004
Annotation	Quercetin 4'-(6''-galloylglucoside)
Peak:m/z	Relative Intensity
50.16629	0.5
51.74903	0.5
57.03439	1.7
59.01377	3.9
61.98519	0.9
61.98829	14.3
63.02406	0.7
65.00317	1.2
69.03461	0.6
69.96112	3.0
71.01385	2.3
72.02203	0.5
72.99321	0.7
73.02962	0.6
74.02463	0.6
77.43337	0.5
79.95732	2.7
80.94947	0.5
83.01399	1.3
83.05018	1.1
84.86314	0.5
85.02980	2.5
87.00900	1.1
87.04522	3.5
89.02466	1.0
95.01420	0.9
95.95283	1.0
96.96023	35.2
97.02946	0.8
97.06583	0.8
98.95613	3.3
98.96391	0.6
101.02457	1.4
107.01404	5.4
108.02214	0.9
109.02946	1.6
113.02436	1.4
121.02968	2.8
122.97560	0.8
123.00863	1.0
125.02462	12.5
127.49020	0.5
131.59416	0.5
135.00858	0.7
137.09714	0.9
138.97061	1.3
139.00302	0.6
148.01738	1.1
150.03169	0.5
150.97160	0.6
151.00386	12.8
152.00764	0.5
163.00406	2.5
164.01204	1.0
164.79208	0.6
167.03462	0.7
169.01448	13.6
170.01747	0.9
176.01237	0.6
177.04047	0.6
178.99870	5.6
180.98076	0.6
187.04172	0.7
187.38638	0.5
191.00014	0.6
192.00638	0.7
195.13922	1.2
203.08197	0.7
216.04404	0.6
226.02739	0.8
227.03535	2.2
229.05014	0.7
237.14940	5.1
241.00244	4.0
243.02989	6.6
244.03317	0.9
245.04517	1.1
245.09335	1.2
254.02138	1.7
255.02974	21.1
256.03351	1.5
256.99658	1.0
268.10910	0.6
271.02444	44.7
272.02875	5.4
273.04004	0.9
281.13937	1.8
283.02411	2.3
288.72610	0.6
299.02087	1.1
300.02753	96.6
301.03464	46.9
302.03693	3.0
313.05695	3.7
435.17090	0.7
463.08789	31.4
464.09122	4.5
464.62735	0.7
614.22498	2.8
615.10126	100.0
615.22961	29.6
616.10376	19.3
616.22961	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	613.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.9
59.01377	4.3
61.98829	4.3
65.00336	0.9
69.03474	1.4
71.01380	1.9
73.02971	0.5
74.94661	0.4
83.01412	0.9
85.02975	1.6
87.00865	0.4
89.02470	0.6
95.95260	0.5
96.96023	6.5
101.02471	1.0
107.01448	1.4
108.02234	1.0
109.02991	0.7
113.02465	0.7
115.15913	0.4
121.02995	0.7
121.12709	0.4
125.02519	0.4
135.00850	0.7
139.11328	2.0
148.01714	1.1
151.00410	4.3
157.46564	0.4
163.00404	1.1
165.12859	0.6
169.01373	0.4
177.49924	0.4
178.99907	2.9
183.10265	3.3
183.13872	1.1
187.03961	0.8
199.04060	2.3
211.04073	0.4
215.03526	0.9
226.02733	1.8
227.03494	3.0
227.12892	0.9
243.02975	11.3
244.03607	0.8
254.02231	2.3
255.02974	29.6
256.03302	2.0
271.02457	64.1
272.02878	6.3
273.03772	0.5
299.01987	15.9
300.02750	100.0
301.03326	19.6
302.03940	0.5
319.22833	0.7
429.08286	4.6
447.09357	1.3
533.33282	0.5
613.19299	77.3
613.27820	3.3
614.19666	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.6
58.00585	0.3
59.01381	5.4
59.22782	0.3
61.98833	1.5
61.99100	0.4
68.45475	0.2
71.01384	4.2
72.99302	0.6
73.02952	1.1
74.02475	0.5
75.00883	0.3
79.95745	3.6
80.96529	1.5
83.01392	0.8
85.02962	2.8
87.00908	0.6
89.02448	2.2
90.23373	0.2
93.03473	0.7
94.98132	0.3
95.01377	0.6
95.95238	1.6
96.96019	64.1
97.02939	0.3
99.00906	0.7
101.02449	2.8
103.12799	0.2
108.02187	0.3
109.02960	2.3
111.04497	0.3
113.02463	1.4
119.03516	0.6
120.01274	0.3
121.02967	0.3
122.97582	1.2
124.11178	0.3
125.02441	0.6
129.01950	0.5
131.03484	0.6
137.02419	0.4
138.97086	2.1
145.02982	0.4
149.02420	0.3
150.97108	0.6
151.00401	0.3
151.04025	0.4
152.00800	0.3
152.98584	0.4
154.08719	0.2
161.02449	1.1
161.04553	1.1
175.04054	0.4
176.01205	0.6
177.01930	1.1
179.03526	0.6
180.98161	1.3
189.01907	1.4
195.06703	0.3
198.99161	0.7
201.02019	0.6
203.03506	2.2
204.03859	0.3
210.99185	0.3
221.06566	0.6
225.00731	2.3
229.01442	0.8
229.05176	0.3
241.00249	1.6
241.05020	0.4
245.09308	0.9
255.06665	0.7
256.03223	0.4
256.99701	0.6
271.02502	0.5
271.06085	0.8
272.02902	0.4
273.03046	0.6
281.04495	0.4
283.06128	2.8
297.07651	0.6
300.02789	0.7
301.03250	1.0
302.03415	1.0
303.03754	0.7
304.04129	0.6
311.05536	1.4
323.05640	1.3
327.61157	0.3
329.08838	0.6
339.05139	1.2
341.08862	0.9
345.45013	0.3
403.05429	0.9
433.09546	1.6
434.09714	0.4
447.07678	0.3
451.10663	0.4
451.16357	1.1
468.06616	0.3
503.12082	1.0
519.11554	0.6
541.16089	0.8
596.69147	0.3
613.22015	100.0
614.22278	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	611.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.5
56.01424	0.4
57.03455	6.5
59.01379	100.0
60.01720	0.9
61.98830	1.3
70.18079	0.4
71.01382	4.0
71.11301	1.2
72.99328	1.0
73.02959	1.7
75.00883	0.6
79.95744	2.9
80.96521	0.7
83.01385	1.3
85.02966	4.6
85.13810	0.5
87.00877	1.1
89.02452	1.5
93.03474	0.9
95.01402	0.8
95.95222	0.9
96.96022	19.6
98.95625	0.6
99.00899	0.8
99.04533	3.7
101.02444	3.4
107.01402	0.6
109.02981	0.5
111.00871	0.6
113.02478	2.5
115.00426	0.5
119.03527	0.9
119.05023	0.7
120.01279	0.9
121.02963	0.5
122.03765	0.5
123.04513	0.6
123.21433	0.5
123.55779	0.6
125.02465	1.5
129.02000	0.7
137.02432	0.9
138.97137	0.6
149.02452	1.2
149.06093	0.8
150.03226	2.3
151.00401	5.3
152.01167	0.6
161.04555	3.2
165.02017	0.6
165.05565	2.5
175.02626	0.5
178.99930	3.2
191.01938	0.8
195.06664	1.1
241.00218	1.5
249.06238	0.7
250.06281	0.5
255.02907	1.1
256.99707	0.8
267.06683	0.9
268.38678	0.5
270.09021	0.8
271.02515	1.9
285.11374	0.9
298.08859	0.5
299.01932	1.8
299.09344	0.7
300.02753	4.5
301.03476	2.7
301.10876	0.6
302.03882	0.5
309.04044	1.3
311.09137	0.6
326.11206	0.5
327.05084	1.4
329.10391	1.8
341.10336	3.2
344.12723	4.3
345.13416	0.7
356.12564	1.1
359.14993	14.6
360.15375	1.9
361.18649	0.6
371.10306	0.6
371.14990	10.7
372.15344	0.6
403.08145	0.9
421.09644	0.7
421.14984	0.6
447.07208	5.2
448.07666	0.8
449.15073	0.8
465.08200	0.8
467.15576	1.6
503.19119	2.0
521.19983	0.6
549.20258	0.6
567.14880	0.8
567.29755	0.7
593.12878	1.4
611.20526	29.3
612.20959	4.6
634.33362	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.5
55.04462	0.4
57.03450	24.7
58.03778	0.4
59.01381	20.7
61.98831	1.5
71.01391	10.2
71.72811	0.7
72.99311	0.8
73.02956	4.3
75.00896	0.9
79.95754	6.1
80.96530	2.1
83.01418	2.4
83.05038	0.5
85.02959	5.6
87.00877	1.7
89.02459	4.7
93.03482	1.0
95.01403	0.9
95.95242	2.3
96.96025	57.4
97.02983	0.6
98.95612	1.0
99.00899	0.8
99.04530	16.6
99.05171	1.0
100.04861	0.5
101.02458	12.1
108.02155	0.7
109.03020	0.6
113.02472	3.7
119.03507	1.6
119.05007	1.5
120.01267	0.5
121.02982	1.0
122.03764	1.5
122.97491	0.4
123.04530	0.8
125.02473	2.5
129.01956	0.6
131.03458	0.5
133.02998	1.0
137.02449	0.9
138.97086	1.5
143.03531	0.7
144.65451	0.5
149.02472	3.9
149.04573	0.7
149.06029	0.6
150.03249	8.9
150.97044	0.5
151.00375	2.0
152.98697	0.7
161.04578	10.3
163.00342	0.7
163.05246	0.5
164.04773	1.0
164.98604	1.3
165.01682	0.5
165.05589	8.5
177.01929	0.7
178.99742	0.6
179.05473	0.4
180.04291	0.7
180.98100	0.9
185.06175	0.6
189.12845	1.5
191.02049	0.6
195.06642	5.2
196.07309	0.7
198.99162	0.6
200.55414	0.5
203.03638	0.4
207.13951	0.7
211.09772	1.1
229.05064	1.0
241.00063	1.1
243.03021	0.6
255.02974	1.5
256.03531	0.7
256.99789	0.8
257.04562	1.0
267.03000	1.0
269.04553	1.5
271.02457	2.4
271.05856	0.6
281.04523	0.7
283.02530	0.7
285.04044	1.6
297.03992	1.3
299.01974	2.0
300.02768	3.7
301.03503	4.5
313.03455	1.4
314.04245	0.8
326.04248	0.6
327.05093	1.5
349.07306	0.7
353.03430	0.6
355.14096	1.4
358.12454	0.5
359.15103	0.7
363.08780	0.7
373.14603	1.0
375.08740	0.7
377.06616	1.4
391.08203	4.0
392.08716	0.9
405.06256	1.5
419.07498	0.8
420.08545	5.8
421.09241	4.8
422.09811	0.7
447.09305	4.4
448.09769	0.7
449.14703	2.7
463.17780	0.6
464.07425	3.3
465.08151	3.8
467.15860	5.4
468.16064	0.7
473.11108	1.0
503.19293	6.1
504.19693	0.8
509.16782	0.6
521.20209	3.3
522.20563	0.9
549.19843	1.9
550.20911	0.6
551.17926	1.0
563.21277	2.5
567.15045	1.1
611.12140	5.5
611.21161	100.0
612.21729	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	611.1424
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.1
59.01380	2.5
61.98841	1.3
63.01663	1.0
63.01969	1.3
63.02398	3.2
65.00329	6.5
69.49793	4.2
69.50209	2.0
71.01399	1.0
83.01389	5.2
85.02950	1.7
89.02444	0.6
90.82880	0.8
93.03465	1.5
95.01339	0.8
96.96027	4.3
98.20589	1.2
107.01408	13.2
107.05053	0.8
109.02979	2.1
111.16587	0.6
112.89967	0.6
119.05077	1.1
121.02985	6.4
124.01698	3.2
125.02458	2.4
135.04544	2.9
144.13950	0.6
148.01694	1.4
149.02477	1.3
149.99651	1.0
151.00398	53.6
152.01184	5.4
160.04077	2.1
161.02501	1.7
162.03256	1.0
163.00371	4.8
163.03978	1.0
164.01122	1.2
169.01454	2.4
178.99875	23.4
180.00197	1.4
183.04538	1.5
190.99939	0.7
192.00668	1.4
193.01425	1.3
199.04082	1.9
201.05470	0.9
211.04059	2.5
212.04498	0.7
213.05577	0.8
215.03558	1.3
226.02853	1.0
227.03444	4.1
228.04167	0.9
229.05014	3.1
239.03543	1.1
240.04272	0.9
241.05159	1.4
243.02968	8.3
244.03622	0.9
245.04562	2.5
254.02275	1.2
255.02977	24.1
256.03522	2.1
257.04486	4.0
268.03934	0.9
269.04489	3.0
271.02460	47.6
272.02853	5.2
273.04059	2.3
283.02582	3.3
285.04086	8.1
286.04840	2.2
295.06183	0.7
297.03928	1.1
299.01965	8.9
300.02753	93.2
301.03500	100.0
302.03845	8.4
313.03534	10.5
314.04288	23.2
315.04645	1.5
325.03610	0.7
341.03137	1.0
346.03305	25.6
347.03659	2.2
353.02780	1.0
363.18329	0.6
384.05093	0.9
385.05783	1.9
420.08478	11.7
421.09235	21.9
422.09659	2.0
447.09317	96.7
448.09628	13.5
465.08286	18.7
465.14575	1.3
466.08655	2.9
496.42624	0.6
516.50598	0.7
517.10211	1.7
567.15082	29.1
568.15436	5.6
569.95892	0.8
611.14117	67.9
612.14478	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.142
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.4
59.01373	5.4
61.98813	2.0
63.02380	1.3
65.00325	3.8
71.01363	2.3
71.72859	0.9
71.73221	0.7
72.24152	0.6
73.02926	1.1
79.95725	1.9
83.01375	2.6
85.02951	2.9
93.03453	3.3
95.95204	2.2
96.96014	16.9
98.20197	0.7
101.02443	1.2
106.06535	0.6
107.01402	8.5
111.00811	1.0
113.02446	0.7
115.00294	0.8
119.04993	2.0
121.02992	0.8
124.01663	1.2
125.02423	1.6
129.01930	1.0
134.03746	0.8
135.04486	1.4
137.02394	1.3
147.02849	0.7
149.02455	1.3
149.04492	0.8
151.00377	28.2
152.01134	3.1
160.03937	1.0
161.02338	0.8
161.04494	0.8
163.00328	1.2
164.04727	1.1
169.01376	2.0
175.00352	1.7
175.02438	1.3
175.03879	1.2
177.04010	1.0
178.98468	0.8
178.99872	13.3
190.02739	4.9
192.00583	1.2
193.01385	1.3
197.06036	0.7
205.05096	4.0
223.06111	1.6
225.05536	0.7
226.06430	0.8
241.00142	1.8
243.02956	0.9
253.04958	2.3
255.02911	1.2
256.99597	1.9
265.07092	0.8
267.06912	0.8
269.04446	1.8
271.02438	4.7
271.10016	0.9
272.10703	0.6
281.04379	2.5
285.03897	1.8
297.03909	1.4
299.01880	1.4
299.05209	1.2
300.02600	2.7
301.03284	1.9
313.03342	1.7
314.04300	5.2
326.04324	8.9
327.05051	22.8
328.05417	2.2
346.03281	7.4
347.03641	1.1
370.03311	1.3
371.04010	1.4
375.08667	1.1
396.55832	0.6
405.06113	9.2
406.06232	1.7
419.07657	6.1
420.08459	10.9
421.09155	8.1
435.16937	2.9
447.01343	1.0
447.07187	12.8
448.07321	2.2
452.07413	4.5
464.07492	3.1
465.08276	15.8
466.08350	1.8
473.11026	3.5
514.16479	0.6
518.13324	0.7
567.15082	1.9
611.13873	100.0
611.24091	5.5
612.14252	19.9
612.23419	0.8
624.61206	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1422
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.7
65.00326	0.7
65.63348	0.4
70.48834	0.7
70.49229	0.7
71.01389	1.9
79.95760	0.5
83.01385	0.6
85.02955	0.7
87.00874	0.5
89.02453	0.7
93.03475	1.0
95.95210	0.4
96.41003	0.4
96.96022	2.0
101.02454	0.6
102.78912	0.3
107.01408	1.7
108.02184	0.4
109.02991	2.0
113.02439	0.5
119.05040	14.2
120.05357	0.3
121.02971	1.7
123.00894	0.5
125.02451	0.7
133.02968	0.5
137.02504	0.5
138.03214	0.7
139.03912	0.4
148.01634	0.6
149.02461	0.9
151.00400	5.9
151.04044	0.4
152.00725	0.4
159.04503	0.6
161.02428	0.9
163.00417	1.7
169.01376	0.5
171.04471	0.4
175.04001	0.5
177.01944	2.4
178.99854	4.0
185.06078	0.4
187.04007	1.4
188.01204	0.6
189.01907	1.2
190.02596	0.6
199.03989	1.0
201.02020	0.5
211.03940	0.8
212.04793	0.4
213.05435	0.5
215.03593	0.7
222.05443	0.4
225.05478	0.5
226.02637	1.8
227.03523	2.1
227.07133	0.5
229.04980	2.5
241.05057	0.4
242.05949	0.4
243.02963	7.1
244.03271	0.7
245.04460	0.7
253.05035	0.7
254.02245	2.0
255.00475	0.6
255.03008	7.7
255.05905	0.6
256.03528	1.2
257.04507	0.5
266.02194	0.4
269.04520	3.1
270.05161	0.8
271.02460	31.0
272.02859	4.1
273.04269	0.5
279.02902	0.6
281.04492	1.2
283.02499	3.9
283.05643	0.6
284.03210	0.7
297.03946	2.4
298.04797	0.8
299.02051	7.8
299.05325	0.7
300.02753	48.1
301.03482	31.1
302.03760	2.4
311.02118	0.8
313.03693	0.4
326.04309	9.1
326.08148	0.5
327.05023	6.7
328.05307	0.6
337.69043	0.3
341.10196	0.4
343.04657	0.9
355.11951	0.5
356.13104	0.4
358.10519	0.4
359.11176	0.7
363.08691	1.2
373.13016	1.1
377.06421	0.5
391.08484	1.3
391.75494	0.4
404.14700	0.5
405.06094	0.8
419.17102	1.3
420.08615	2.4
421.08978	0.9
447.09335	100.0
448.09686	14.5
465.08469	0.6
473.10898	17.5
474.11282	2.9
551.21338	7.5
552.21533	0.9
557.51373	0.4
567.15271	1.2
611.14282	8.9
611.24823	2.1
612.13690	1.7
637.28174	0.4
639.70190	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.4
57.03448	6.3
58.00602	1.3
59.01379	74.8
60.01733	1.2
61.98836	10.6
63.96187	0.6
69.03459	2.0
71.01387	28.6
71.05071	1.9
72.01717	0.8
72.99323	1.6
73.02950	6.1
74.50715	0.6
75.00872	1.6
77.51097	0.5
79.95747	1.5
83.01395	3.9
83.05032	1.1
85.02957	17.1
85.06601	0.6
86.00114	1.3
87.00868	4.5
87.04531	2.0
88.04047	1.3
88.98814	2.0
89.02453	7.5
91.81360	0.6
95.01391	3.0
95.05060	0.6
96.96018	8.3
97.02975	1.8
97.06577	0.7
98.20219	0.7
98.95602	0.8
99.00904	3.4
101.02456	14.9
111.00923	1.6
112.01711	0.9
113.02465	14.3
115.00365	0.8
115.04037	0.7
119.03505	2.8
121.02906	1.3
123.08178	0.7
124.01669	1.2
125.02464	2.1
129.01961	1.2
130.23473	0.5
133.06618	0.7
137.02443	0.9
139.11314	1.0
141.09293	0.7
143.03519	3.4
150.03258	0.6
153.05640	1.3
153.09259	0.9
157.12250	0.7
159.02989	1.2
161.04584	2.2
161.09805	0.8
165.05457	0.7
171.13918	1.7
173.11871	0.6
181.12352	0.7
185.15492	2.1
187.13387	1.0
191.01993	1.4
197.04573	3.9
201.14996	0.8
241.00209	1.2
253.78816	0.6
257.21124	1.1
271.02509	0.7
271.22858	1.7
300.02707	1.8
301.03699	0.8
315.25378	1.3
341.27048	0.7
343.28152	1.0
359.27936	1.5
361.29562	9.9
362.30130	1.2
411.16541	1.1
431.26517	1.1
457.31686	0.9
468.96646	0.5
473.27505	0.9
477.28580	3.8
478.28778	0.8
503.31879	1.2
504.32916	0.7
505.33752	100.0
506.34106	18.2
523.34747	31.9
524.35193	5.2
565.20380	0.7
565.35968	12.6
566.36285	3.2
609.12939	0.7
609.22681	3.5
609.32977	2.1
610.19867	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	609.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79152	0.6
55.01876	1.9
57.03439	4.4
58.00563	0.7
59.01379	65.1
60.01724	0.7
60.99312	0.7
61.98824	3.1
69.60310	4.1
71.01382	14.7
72.99316	1.3
73.02959	3.7
75.00902	0.9
83.01399	4.0
85.02960	10.1
86.03313	0.7
87.00890	2.1
87.04485	0.8
88.98826	3.6
89.02431	1.4
91.73897	0.6
93.25424	0.6
95.01398	2.6
96.96017	4.2
97.02943	0.7
99.00879	2.2
101.02453	8.7
102.02854	0.6
111.00883	1.8
112.01702	1.2
113.02457	8.6
116.40301	0.6
123.08149	0.6
124.01681	1.0
125.02473	1.5
127.11324	0.8
137.09740	1.0
143.03484	1.0
155.10863	1.3
157.12334	1.5
159.03009	0.9
161.04584	1.1
167.10744	0.7
171.13937	1.2
177.62021	0.6
187.13431	3.4
201.15010	1.9
245.71201	0.6
256.06964	0.6
315.25443	1.9
343.28665	0.8
359.28049	3.1
361.29599	12.6
362.29956	1.0
475.32516	0.9
477.28339	2.1
505.33786	100.0
506.34109	19.5
523.34821	23.1
523.60162	0.7
524.35040	4.4
551.42194	0.6
565.36096	9.4
566.36066	2.3
609.12775	0.7
609.32281	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06618	0.7
55.01883	1.5
57.03444	6.8
58.00618	1.0
59.01379	90.8
60.01718	1.8
60.99330	0.7
61.01821	0.7
61.98829	10.0
69.03460	2.5
71.01385	27.2
71.05112	1.4
72.01722	1.2
72.99319	3.0
73.02949	8.6
75.00899	2.2
79.95759	1.4
80.96532	0.8
83.01383	6.4
83.05053	1.4
85.02959	20.8
85.03454	1.1
86.03316	0.7
87.00893	5.7
87.04560	0.8
88.04050	1.8
88.98827	5.3
89.02448	6.6
93.03495	0.7
95.01386	3.6
96.96024	15.2
96.96600	1.2
97.02989	1.4
98.95613	0.9
99.00898	3.2
100.91365	0.6
101.02454	14.3
102.02804	1.0
109.03017	0.8
111.00917	2.5
113.02461	13.5
119.03526	2.1
119.05032	1.0
120.01279	1.1
121.03062	0.7
123.04581	0.9
123.08201	1.0
124.01730	0.6
125.02476	3.7
125.06090	1.2
127.11365	0.8
129.02007	2.0
130.00835	0.6
131.03543	0.9
134.03789	0.8
135.04510	0.7
137.02469	0.7
137.09775	1.1
143.03548	2.7
147.03014	0.9
149.04532	1.6
150.03206	0.8
151.00398	0.9
155.10828	1.2
157.12357	4.8
159.02986	1.3
161.04620	2.1
165.05562	1.1
169.12285	0.7
171.13913	0.9
173.11780	0.7
177.04184	0.8
191.01982	2.0
201.15039	0.9
241.00304	1.7
257.21176	3.5
263.52222	0.7
271.02484	2.0
271.22726	0.9
300.02820	2.9
301.03485	1.8
361.29575	8.8
362.30118	1.6
447.09375	0.7
477.28571	6.0
503.32309	1.0
504.32431	1.8
505.33731	100.0
506.34119	16.6
522.34265	0.8
523.18469	1.1
523.34772	33.7
524.35107	5.7
540.90411	0.7
549.25372	0.9
565.12354	0.8
565.35938	17.8
566.36505	3.0
609.13983	2.2
609.23450	2.6
609.32739	2.5
610.35309	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36214	0.7
55.01866	1.7
57.03445	4.0
59.01379	70.5
60.01722	0.8
61.98839	3.5
69.03452	0.9
70.87161	0.8
71.01387	23.9
71.04140	2.0
72.01696	0.6
72.99300	1.3
73.02950	5.2
74.01828	0.6
74.24519	0.6
75.00864	0.8
78.95894	0.8
83.01377	2.6
85.02956	16.2
87.00888	2.2
88.98808	0.8
89.02455	7.1
95.01405	4.1
96.96014	6.0
97.02934	0.9
99.00861	1.9
101.02445	9.8
109.02957	0.6
113.02466	16.3
113.81631	0.7
119.03491	2.5
125.02462	1.5
134.03758	0.9
143.03539	1.5
149.06090	1.0
152.20572	0.6
155.10811	0.9
157.12378	1.1
161.04543	2.6
171.13892	0.8
183.13950	1.1
187.13292	1.5
191.02007	1.0
201.15024	1.6
211.13448	1.4
271.02423	1.2
273.10114	0.7
300.02759	1.8
301.03397	0.9
315.21780	0.8
315.25226	0.8
359.27954	1.8
361.29636	8.4
362.30243	0.8
397.13037	1.1
470.88797	0.8
477.28799	1.9
505.33792	100.0
506.34146	18.2
523.34845	23.2
524.35535	3.6
529.24884	0.7
565.35956	12.3
566.36151	3.0
609.13312	1.4
609.21619	1.3
609.28241	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	609.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.7
57.03447	4.4
58.00584	3.2
59.01379	100.0
60.01712	1.6
61.98838	2.0
71.01382	68.2
71.72159	1.8
72.01728	2.3
72.99315	5.4
73.02930	2.8
79.95743	1.5
83.01400	5.1
85.02956	42.8
85.03455	2.5
87.00895	5.2
89.02454	74.0
89.70079	1.4
95.01397	4.9
96.96021	14.8
97.02969	2.0
101.02455	35.0
103.00420	1.8
113.02467	27.9
119.03522	26.7
119.05087	1.3
120.01310	2.3
121.03024	1.6
124.01662	1.8
125.02483	2.2
129.01970	3.9
131.03505	3.8
134.03770	3.3
140.73712	1.2
143.03519	10.2
147.02962	3.1
149.04561	5.2
151.00352	3.2
161.04585	13.7
163.04015	1.5
169.01506	1.7
175.02464	1.4
179.05627	40.6
179.07196	2.0
191.01997	14.3
193.05226	1.6
209.03052	15.2
241.00404	2.0
243.03050	2.0
255.03024	4.3
267.07193	1.7
271.02472	11.6
299.01974	7.3
300.02722	19.6
301.03595	13.7
361.09680	4.6
387.20267	2.2
417.11929	9.5
462.08170	2.2
463.08734	2.1
467.14896	1.5
528.01624	1.5
549.25464	69.0
550.25861	11.3
609.14203	23.7
610.15210	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	609.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85369	0.7
55.01907	0.9
57.03478	2.2
58.00590	3.0
59.01102	2.4
59.01379	73.1
60.01741	1.2
65.00362	1.4
71.01385	42.6
71.72414	0.9
72.99322	3.2
73.02998	2.3
75.00906	1.0
80.35953	0.6
83.01398	3.0
85.02964	14.5
87.00938	2.2
89.02454	36.2
95.01461	2.4
96.96043	3.7
101.02456	22.8
107.01463	2.1
109.02995	1.4
113.02466	15.4
119.03515	16.5
120.01328	0.9
121.03042	1.8
125.02544	1.0
128.03528	0.6
129.01947	1.0
131.03595	1.7
137.09776	1.4
143.03574	3.0
149.04633	1.3
151.00377	9.5
151.01405	0.8
155.08153	0.8
159.03098	0.9
161.04550	5.5
163.00418	0.9
169.01505	0.8
175.04042	0.7
178.99933	1.9
179.05618	9.2
179.07021	0.9
187.04103	0.9
191.02032	2.8
199.04076	2.1
209.02977	4.5
215.03543	1.2
225.15074	0.7
227.03615	2.2
241.00308	0.9
243.02873	3.4
255.03073	3.6
271.02454	48.6
272.02866	4.5
283.02417	1.0
299.01978	81.7
300.02560	16.9
301.03528	61.8
302.03876	6.4
343.04581	1.3
387.20105	4.6
388.20294	0.9
417.11932	1.1
447.09326	10.1
448.09598	1.3
462.08032	19.3
463.08746	24.2
464.09018	2.5
477.42236	0.8
549.25458	100.0
550.25806	20.9
609.14703	77.2
610.15033	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	609.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.5
59.01377	7.1
61.98831	51.7
62.98535	1.1
63.96231	0.6
69.03450	0.7
70.88328	0.8
71.01385	7.9
72.05437	0.4
73.02933	2.2
75.00862	0.5
78.95909	0.7
78.98603	4.3
79.95268	0.8
79.95743	13.9
80.96522	45.3
83.01395	0.8
85.02969	4.6
87.00881	3.0
89.02442	0.9
89.63059	0.4
94.98093	11.1
95.01382	0.5
96.96017	9.1
97.02942	1.0
99.00868	0.8
101.02437	3.3
106.98091	1.6
110.05263	0.4
113.02416	1.4
122.97581	4.1
125.02462	2.6
127.04022	0.8
129.01840	0.5
134.97607	3.1
136.99162	1.2
142.95566	0.4
148.99150	3.1
152.98648	6.2
161.04536	0.7
164.98660	8.7
179.00108	0.6
182.99713	1.4
191.01907	0.4
206.99734	3.5
217.32709	0.4
225.00737	16.5
226.00912	0.5
243.01793	1.6
271.02408	0.9
276.20474	0.4
293.21259	0.9
299.04556	3.0
300.02676	0.9
301.03326	0.9
309.20602	0.8
311.22079	0.7
371.06595	1.0
406.93216	0.5
481.17334	2.2
511.18469	0.9
536.29974	1.8
539.17731	0.6
609.25995	100.0
610.26312	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	609.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02992	0.5
63.02409	0.7
65.00333	2.0
69.20759	0.4
69.62491	0.7
69.62713	1.0
69.63119	3.3
71.48446	0.5
75.50496	0.5
76.35672	0.6
83.01401	1.3
85.02953	0.6
96.96029	1.3
107.01375	3.2
108.02202	1.6
109.02955	2.4
121.02991	2.3
127.25597	0.5
135.00873	1.1
148.01723	1.1
151.00378	12.2
151.53345	0.5
163.00345	2.6
164.01118	0.8
178.99866	6.7
187.04076	0.6
199.04086	0.8
201.05444	0.6
211.04077	0.8
215.03679	0.6
216.04210	1.0
226.02754	1.6
227.03551	3.3
243.02946	10.5
244.03419	1.2
245.04469	1.5
251.19708	0.6
254.02182	1.6
255.02972	27.3
256.03345	1.8
271.02457	58.6
272.02869	6.6
273.04086	0.9
283.02469	1.6
299.01855	1.8
300.02747	90.5
301.03424	38.6
302.03787	3.4
441.64786	0.6
447.09360	2.0
515.88397	0.5
545.17444	0.6
609.14709	100.0
610.15027	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	609.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.2
59.01369	2.0
63.02414	0.5
65.00355	0.9
71.01414	1.1
71.72981	0.4
73.02998	0.3
79.95779	0.8
83.01441	0.9
85.02959	2.8
87.00901	0.4
89.02471	0.3
90.60803	0.3
91.01930	0.3
93.03486	0.4
95.95249	1.3
96.96018	6.5
96.96588	0.5
101.02475	0.6
102.88035	0.3
103.59756	0.3
107.01399	2.8
108.02238	1.1
109.03008	0.9
113.02490	0.6
119.18426	0.3
120.01272	0.8
121.02966	2.1
124.01699	0.4
129.02002	0.4
131.07207	0.4
135.00916	0.6
137.02466	0.3
138.97079	0.3
139.16541	0.3
147.03067	0.4
148.01672	1.3
149.02490	0.6
150.03246	0.3
151.00388	11.6
152.01193	0.5
163.00380	2.3
164.01164	0.8
165.05568	0.4
169.01486	1.0
175.02498	0.8
178.99884	4.9
183.04565	0.4
190.02676	0.3
191.00017	0.5
191.02005	1.0
192.00647	0.5
195.06645	0.3
197.76253	0.3
198.03357	0.4
199.04033	0.8
201.05539	0.4
203.03552	0.4
209.03076	1.0
211.04108	1.0
215.03580	0.3
216.04256	0.5
226.02666	1.5
227.03455	2.6
229.05054	0.6
241.00215	0.7
243.00430	0.5
243.02962	10.8
244.03537	1.0
245.04494	1.1
254.02197	2.4
255.02966	26.8
256.03311	2.3
256.99625	0.3
271.02451	57.8
272.02930	6.1
273.04010	0.7
283.02463	1.1
297.03809	0.3
299.02014	1.3
300.02740	100.0
301.03421	33.6
302.03802	1.9
343.04578	0.7
405.12140	1.8
419.13806	2.4
433.15039	1.2
434.15781	0.9
447.09332	3.8
448.09744	0.4
523.18481	0.4
609.14557	96.7
610.14899	18.2
629.48279	0.3
638.90491	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.4015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93170	0.3
61.98830	100.0
71.05064	0.8
95.10456	0.2
110.71024	0.3
129.40614	0.3
177.98921	0.3
182.54427	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47063	0.3
55.78231	0.3
61.98832	100.0
71.03682	1.0
71.70437	0.3
91.49970	0.3
120.42117	0.4
158.53400	0.4
160.92508	0.3
228.69505	0.3
394.18576	0.4
482.96014	0.4
521.94696	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.4015
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23318	0.1
61.03862	0.2
61.98830	100.0
70.40133	0.2
71.01825	0.2
71.02148	0.3
74.73659	0.2
86.48589	0.2
102.11543	0.2
141.33081	0.2
163.62569	0.2
185.18497	0.2
198.98311	0.2
236.81970	0.2
252.50500	0.2
569.30743	0.2
588.43024	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23791	0.1
57.03456	0.2
57.23396	0.1
59.01379	1.6
61.98830	100.0
62.05927	0.1
62.98534	0.2
62.99263	0.1
69.03439	0.1
71.01394	0.8
71.64946	0.2
73.02946	0.6
75.00859	0.1
78.98604	0.5
79.95731	0.9
80.96523	4.1
80.97011	0.2
85.02947	0.6
87.00905	0.3
89.02454	0.1
94.98090	0.7
96.96014	1.6
101.02473	0.6
106.98127	0.2
108.53278	0.1
113.02453	0.2
122.97628	0.4
125.02492	0.2
129.01976	0.1
134.97595	0.2
136.99190	0.2
148.99178	0.4
149.04694	0.1
151.00392	0.1
152.98665	0.4
164.97481	0.1
164.98625	0.6
206.99756	0.3
225.00734	1.4
255.03017	0.1
255.47659	0.1
285.76199	0.1
295.28094	0.1
300.02808	0.3
336.78873	0.1
385.95786	0.1
401.67828	0.1
403.99796	0.1
608.25226	0.3
608.35541	0.4
609.15802	0.4
609.25952	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03476	0.1
59.01375	0.8
61.98832	100.0
62.98531	0.2
71.01401	0.5
71.73262	0.1
72.99329	0.1
73.02982	0.2
76.91917	0.1
78.95929	0.1
79.95753	0.4
80.96526	1.1
85.02975	0.4
87.00890	0.1
89.02472	0.2
94.98135	0.4
96.96022	1.4
101.02462	0.3
105.46664	0.1
110.75877	0.1
113.02472	0.1
118.35786	0.1
148.99191	0.1
152.98650	0.2
161.04492	0.1
164.98672	0.1
171.46336	0.1
225.00806	0.4
271.02615	0.1
281.69400	0.1
300.02856	0.2
403.53705	0.1
461.29416	0.1
608.25391	0.3
608.36584	0.1
609.16022	0.1
609.26086	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	608.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00854	0.1
59.01377	0.9
61.98830	100.0
62.98534	0.2
69.48409	0.8
71.01389	0.3
78.95905	0.2
79.95748	0.3
80.96536	0.3
85.02983	0.3
88.34593	0.1
88.59498	0.1
89.02474	0.1
94.98128	0.1
95.95209	0.1
96.96027	0.8
101.02471	0.2
105.65694	0.1
113.02480	0.1
121.03018	0.1
129.01918	0.1
152.99629	0.2
155.24713	0.1
163.07481	0.1
225.00681	0.1
264.54306	0.1
300.02863	0.2
343.83078	0.1
409.31253	0.1
442.21158	0.1
545.16278	0.1
608.31635	0.2
609.15723	0.2
609.25995	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	608.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.6
61.98828	100.0
62.98529	0.1
71.01375	0.2
71.01867	0.1
71.02219	0.1
72.99339	0.1
78.95914	0.2
79.95741	0.1
85.02983	0.2
89.02454	0.1
96.96004	0.4
101.02451	0.1
113.02468	0.1
125.02440	0.1
133.78296	0.1
138.52585	0.1
152.99625	0.3
255.02887	0.1
271.02689	0.1
294.10168	0.1
300.02863	0.1
367.06100	0.1
455.24728	0.1
507.42429	0.1
609.15094	0.2
609.26868	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.3
57.03454	4.2
59.01378	83.7
60.01722	1.1
61.98825	2.3
67.01838	1.1
69.03441	1.2
71.01384	22.4
71.16024	1.9
71.16337	1.0
73.02956	10.9
75.00891	1.2
83.01396	5.0
83.05037	1.2
85.02956	13.9
85.08059	1.1
87.00885	2.3
88.98857	1.6
89.02451	5.3
94.88674	1.0
95.01380	2.9
96.96008	4.9
97.02962	1.9
99.00898	2.8
101.02460	12.0
111.00938	1.6
113.02448	12.3
119.03485	1.6
124.01659	1.2
125.02491	1.3
127.11225	1.6
133.28377	1.0
137.09775	3.1
143.03542	2.1
150.03227	1.3
153.05603	1.7
155.10829	4.1
157.12306	2.2
161.04547	3.6
180.78230	1.0
183.13873	1.4
199.72585	1.1
201.14986	3.5
230.15160	2.4
244.70674	1.1
271.22934	1.5
293.50201	0.9
319.60400	1.1
323.59729	1.1
341.26968	1.7
357.26544	1.3
359.28058	12.4
360.28326	1.5
389.22394	1.1
397.10703	1.4
431.23038	1.4
472.27087	1.1
475.26901	1.8
485.31097	1.5
486.76541	1.1
501.30502	1.3
503.32208	100.0
504.32541	17.8
521.33276	34.5
522.33466	6.3
544.17249	3.4
545.33380	1.5
563.34674	9.2
564.34979	1.3
607.31055	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	607.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.6
57.03438	3.5
58.00570	0.9
59.01379	91.3
61.98817	2.2
69.03457	0.8
69.60851	7.2
71.01386	30.2
71.05018	1.5
72.99294	2.0
73.02948	8.0
75.00859	1.3
83.01385	4.3
85.02961	15.6
87.00881	3.2
87.04516	1.0
88.04054	0.9
89.02457	8.4
95.01406	5.3
96.96013	3.6
97.02981	1.3
99.00880	3.5
101.02451	14.6
111.00858	1.3
113.01738	1.0
113.02473	18.5
119.03513	2.4
121.10229	2.2
125.02458	1.6
137.09685	1.5
143.03488	1.8
149.04562	1.3
150.03154	0.9
153.01981	1.4
157.12335	1.1
159.03003	1.1
161.04579	6.5
169.12457	0.8
187.11346	1.5
187.13245	1.6
201.14970	3.1
225.11211	1.4
247.35802	1.2
271.22571	1.2
319.17599	1.7
341.26932	1.5
351.62360	1.1
359.27945	4.7
415.27280	1.0
433.27948	1.7
475.26996	6.4
485.30856	1.1
503.32230	100.0
504.32669	17.0
521.33301	25.4
522.33533	3.1
563.34949	8.7
607.31250	4.0
608.31165	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96158	0.4
52.62278	0.3
55.01937	0.8
57.03215	0.6
57.03527	2.2
58.03053	0.4
58.25649	0.4
59.01131	3.1
59.01463	20.6
60.01770	0.8
61.98917	3.5
69.03548	0.6
69.46929	0.4
69.47267	4.0
71.01048	3.3
71.01485	26.2
72.01801	0.5
72.99039	0.5
72.99416	1.2
73.03055	3.4
75.00975	1.6
79.95850	1.7
80.96609	0.6
83.01517	1.6
85.02517	1.0
85.03075	9.5
87.00494	0.6
87.01005	1.6
88.03574	0.7
88.04170	6.5
88.98921	0.6
89.02569	4.8
95.01535	1.1
95.05166	0.5
95.95369	1.5
96.95456	2.9
96.96147	33.9
97.03038	0.5
98.05560	0.6
98.06252	6.9
98.20655	0.8
98.95700	0.6
99.01017	2.3
99.04626	0.5
101.01880	0.8
101.02583	10.1
103.00468	0.4
111.01003	0.9
113.02467	6.3
114.99667	0.9
115.00385	14.9
117.02016	0.5
119.03653	1.5
119.05190	0.4
120.01350	0.5
121.03103	0.5
123.04688	0.5
125.02585	0.9
126.09390	0.8
129.02089	1.2
132.03110	0.7
134.03879	0.7
138.97249	1.5
143.03644	0.5
147.03069	0.4
149.04732	1.6
150.03383	0.5
159.03131	1.0
161.02577	0.4
161.04556	2.3
164.98706	0.4
165.05661	0.6
168.98303	0.4
169.07565	0.4
177.02588	0.6
177.04028	2.9
179.03604	0.3
183.14105	0.8
191.00601	0.4
191.02144	1.6
193.05185	0.5
195.06750	0.4
209.03072	0.8
211.13406	3.1
234.18811	1.0
235.08482	0.4
235.17007	3.8
241.00221	6.2
251.16753	1.2
255.03218	0.4
256.99887	1.3
259.01434	0.9
271.02670	0.8
300.02960	1.0
301.03668	0.6
304.19308	1.6
306.20764	7.6
307.21082	0.6
322.20413	1.0
348.18634	0.4
350.19864	3.0
366.19214	2.1
397.13464	1.7
412.23685	1.1
413.21857	6.3
414.22046	0.7
415.14859	0.7
477.19739	0.5
484.25583	1.7
486.31216	0.6
503.32275	2.1
504.32281	1.9
505.33755	0.9
510.23172	0.5
528.24457	100.0
529.24799	14.8
529.32739	0.8
564.32275	0.5
565.32068	0.5
590.19171	0.5
608.20099	22.8
608.30273	1.7
608.40338	1.7
609.20306	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	607.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.9
55.37704	3.7
57.03451	9.8
59.01380	100.0
61.98820	8.9
66.57957	2.9
67.01869	3.5
69.03455	8.4
71.01388	43.0
73.02952	21.1
75.00888	11.7
79.95747	8.5
80.96500	4.2
83.01402	12.2
85.02949	35.7
87.00881	10.6
88.04044	5.5
89.02447	16.2
89.12524	3.0
93.03452	3.3
96.96024	88.7
97.02972	5.3
98.20652	10.0
98.95614	3.8
99.00908	8.1
99.04534	3.1
101.02460	26.7
109.02944	4.1
113.02468	23.4
121.02976	4.0
123.04527	3.1
124.01734	2.8
129.01939	5.4
135.04556	3.5
137.02509	4.3
139.04057	4.8
149.04556	19.0
151.00377	3.7
155.10794	6.5
159.04460	3.4
161.04576	7.1
163.11238	4.9
181.12315	4.9
183.03008	5.6
191.01955	5.7
193.05054	5.0
207.02878	3.6
229.85582	4.1
231.66606	3.2
241.00247	7.6
249.06097	5.2
267.07101	5.8
268.07669	5.7
269.08069	6.4
273.61301	3.4
281.08087	7.2
282.08902	4.4
283.09747	12.1
293.24548	3.0
295.09729	3.9
301.07098	8.3
311.09341	16.8
314.08215	4.4
314.11722	7.2
315.12323	4.5
326.11493	19.2
327.12097	6.5
329.13907	12.1
341.13895	23.8
355.11887	4.6
397.71750	4.3
455.13754	4.0
458.15637	4.4
463.12689	9.5
469.07422	3.5
473.18283	28.4
475.17975	24.2
476.17319	11.0
485.18170	23.9
488.16888	7.3
491.19128	36.2
492.19608	4.7
503.19250	35.2
503.32080	22.2
504.19766	3.6
506.16028	3.6
521.33118	4.4
533.20166	82.9
534.20544	10.0
545.20319	39.7
546.20538	8.6
563.21228	3.9
607.21600	51.1
608.20917	9.7
609.95789	3.4
619.67340	3.5
633.63855	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	607.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98137	0.9
55.01870	1.6
57.03438	3.5
58.22777	0.9
59.01378	86.6
59.73182	0.8
60.01698	0.9
61.98821	2.0
69.03461	1.4
71.01389	28.8
72.99308	1.6
73.02948	8.4
74.25453	0.9
75.00883	1.2
83.01402	4.7
85.02953	19.3
85.08704	0.9
87.00887	2.0
87.04530	1.0
88.98815	0.9
89.02455	7.3
95.01368	4.4
96.96023	4.4
97.02971	2.2
99.00883	2.0
99.94322	0.9
101.02463	14.2
109.03001	1.8
111.00886	1.5
113.02465	18.1
119.03497	2.4
125.02525	1.2
137.09758	3.8
143.03519	2.1
149.04547	1.5
153.01968	2.4
155.10825	1.3
161.04535	6.2
201.14969	2.4
213.18591	0.8
312.23962	0.9
341.26801	1.7
359.28043	7.1
379.88440	0.8
401.29343	1.0
408.85400	0.9
433.28131	3.6
485.31039	2.4
503.32236	100.0
504.32544	17.1
507.46292	1.1
521.33319	27.7
522.33673	5.1
545.32855	1.5
563.34491	13.5
564.34644	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54567	0.2
59.01374	1.3
61.98830	100.0
69.40788	2.3
71.01383	0.6
71.93542	0.2
85.02962	0.2
89.99941	0.2
96.96049	1.0
113.02471	0.3
116.37361	0.2
121.98553	0.2
157.18199	0.2
257.31720	0.2
266.83533	0.3
291.19736	0.3
422.39056	0.2
606.29449	0.4
607.24847	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.3045
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89623	0.4
59.01373	0.7
60.99306	14.8
61.98829	1.0
70.74967	0.4
71.73330	0.9
78.95906	4.0
87.00896	0.6
88.00400	3.0
88.98814	100.0
89.02452	15.7
89.99149	1.3
90.02780	0.5
96.96026	0.6
96.96994	1.0
101.52768	0.4
125.00008	0.5
128.42319	0.4
139.56750	0.4
152.99605	1.6
199.27861	0.4
246.68761	0.4
277.21719	3.8
278.22049	0.6
282.48804	0.4
346.05704	1.1
370.45178	0.4
431.22003	0.5
434.71655	0.5
442.72409	0.4
502.29276	1.4
582.25812	0.5
585.13574	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98823	3.6
70.69696	5.4
70.71457	1.6
71.01375	4.0
76.09935	1.7
80.10819	1.5
86.46614	1.6
89.02457	11.2
91.04011	58.0
120.04302	1.9
210.38513	1.9
230.61314	1.7
260.50116	2.1
335.33173	46.3
336.33704	5.8
379.32193	24.8
380.32550	3.1
397.33212	40.1
398.33542	5.8
453.35803	48.0
454.36078	5.8
471.36877	60.5
472.37247	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	606.0749
Annotation	UDP-N-acetyl-alpha-D-glucosamine
Peak:m/z	Relative Intensity
57.03450	0.3
59.01374	1.3
62.73082	0.3
62.96411	1.0
70.84029	0.7
70.84411	0.5
71.01382	4.0
72.01690	0.4
73.02959	0.4
78.95909	100.0
83.01395	0.6
85.02957	3.4
87.00887	1.2
89.02480	0.7
95.01387	0.4
96.28600	0.3
96.72463	0.3
96.96043	4.6
96.96974	14.8
97.03004	0.4
101.02473	0.7
106.61439	0.3
107.27286	0.3
111.00845	0.5
111.02026	10.1
113.02460	3.3
113.52066	0.3
114.02803	0.5
119.98574	1.1
120.01191	0.4
138.98053	0.7
141.99426	0.4
146.98564	0.4
150.98050	0.6
151.06111	2.1
152.99635	2.4
158.92558	38.7
161.99635	0.5
162.98123	0.7
162.99504	0.4
171.38017	0.4
173.04527	0.9
174.98024	2.6
176.93591	7.2
177.90314	0.4
178.96153	0.3
192.99077	0.8
211.00182	0.8
222.01703	0.6
239.95490	0.5
240.02809	1.3
241.01132	0.8
260.95676	1.4
264.02692	0.7
272.95688	12.4
282.03851	14.2
283.04239	0.5
300.04913	2.4
305.01871	1.9
323.02823	3.7
324.03165	0.5
333.05829	3.7
334.06335	1.6
343.99524	0.5
354.96805	0.7
355.02841	0.4
362.00510	5.8
363.00714	0.5
372.97205	1.3
378.35092	0.3
384.98462	16.4
385.98691	1.3
402.99515	5.2
403.99844	0.4
471.13724	1.1
508.90378	1.0
605.19293	6.3
606.07495	53.0
606.19232	6.0
607.07831	6.5
607.17993	0.5
633.78790	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04372	0.8
54.19194	0.8
55.01862	1.7
57.03439	2.8
59.01380	100.0
60.01703	1.0
61.98839	8.4
69.03448	1.5
69.59717	5.9
69.60126	1.4
71.01389	32.9
71.05010	2.0
72.99288	1.4
73.02957	13.6
75.00887	1.2
78.04124	0.8
83.01407	5.6
85.02967	18.5
87.00406	0.9
87.00870	5.3
87.04514	1.9
89.02449	11.8
95.01406	4.8
96.96014	3.2
97.02951	1.0
97.06601	3.0
99.00862	4.9
101.02461	20.7
109.77475	0.9
111.00894	2.4
113.02461	21.7
119.03489	5.9
121.10242	4.3
125.02506	1.6
133.21223	0.9
137.09735	2.0
139.07707	1.2
143.03545	1.6
146.55887	0.9
149.04578	1.1
159.03018	1.2
161.04576	10.4
177.12820	1.1
179.05536	1.4
181.12364	2.2
192.47862	0.9
196.29657	0.9
246.07767	1.2
263.20175	0.9
269.04520	1.1
283.02478	2.1
297.04153	2.1
311.05713	1.4
313.03528	1.6
321.24362	2.5
325.03506	5.0
326.04144	1.8
339.05017	1.6
339.25211	5.7
355.24811	1.0
357.26456	10.9
377.37717	0.8
395.10107	15.7
396.10788	14.0
397.11148	1.0
399.27628	1.1
465.28442	1.5
483.29468	2.7
501.30676	100.0
502.31033	19.1
519.31708	35.7
519.39740	1.3
520.32275	5.0
542.16626	41.6
543.17029	7.9
561.32819	7.3
562.33234	1.9
605.31366	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	605.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28472	0.2
61.98823	0.9
69.44923	0.7
69.45349	1.9
74.91572	0.2
98.19917	0.4
106.06608	0.3
116.40912	0.2
162.05652	0.4
181.24602	0.2
263.97134	0.3
322.45447	0.3
328.15430	0.3
336.96890	0.2
394.11703	0.3
415.15518	0.6
416.16626	0.3
427.19122	0.3
429.17020	1.0
430.17886	1.1
431.18396	0.3
443.19196	0.7
444.19550	0.5
445.19980	0.3
450.21429	0.3
456.15936	0.3
457.21097	1.5
458.17078	0.3
458.21457	0.6
459.17633	3.1
460.18423	0.3
461.23489	0.7
468.19553	0.3
469.19986	0.4
469.68936	0.3
470.21463	0.5
471.18423	1.6
472.18787	0.8
473.19717	4.6
474.20026	1.5
475.21152	0.4
476.17822	0.3
485.19632	1.5
485.23819	0.9
486.20575	4.2
487.21451	1.6
496.19113	0.9
497.19760	0.5
499.17566	2.2
500.18542	0.9
501.22638	2.5
502.23709	0.6
503.21173	0.4
511.21307	2.3
512.22296	0.6
513.19214	3.1
514.20044	8.8
515.20636	1.8
517.18524	0.5
518.19507	1.5
519.19934	0.4
528.21857	0.8
529.22382	100.0
530.22723	24.5
532.20984	1.5
533.21777	2.1
534.22430	0.5
545.22137	0.3
561.25055	0.9
573.21637	1.6
605.23718	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	605.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.5
57.03456	4.5
58.00570	1.1
59.01378	98.6
59.64349	0.9
61.98829	6.3
69.03464	1.3
69.55938	4.3
69.56379	3.3
71.01385	37.4
71.05049	1.1
72.01720	1.3
72.99313	2.9
73.02956	11.3
75.00864	1.8
79.95745	1.0
83.01395	7.0
83.05006	1.1
84.02189	0.9
85.02953	16.5
85.06614	1.1
87.00883	3.0
87.04518	4.5
88.98827	1.5
89.02452	11.7
95.01415	4.7
96.96011	11.9
97.02946	1.9
97.06590	3.0
99.00898	4.5
99.04523	1.1
101.02457	18.6
109.06619	1.1
111.00902	1.4
113.02466	16.0
113.03246	1.2
117.74386	0.9
119.03551	5.1
121.06658	1.1
121.10199	0.9
123.08226	1.1
125.02478	1.6
125.09737	1.7
129.01866	0.9
137.09732	1.8
139.07570	1.4
141.12892	1.8
143.03482	2.5
144.02962	0.8
147.02983	1.2
149.04547	1.2
151.11310	0.9
157.12369	1.3
161.04539	6.3
163.11377	1.1
166.44106	0.9
169.12320	1.3
179.05640	1.3
183.13899	0.9
191.02017	2.4
193.05220	1.1
201.15012	1.2
213.15057	1.3
215.03261	0.8
227.16583	1.9
229.18105	2.7
249.06056	1.0
263.20096	1.2
267.07230	1.4
273.83096	0.9
278.05945	0.9
297.24280	1.7
309.24451	1.2
321.24319	2.5
329.69733	0.9
339.25467	4.0
357.26443	9.5
381.26321	5.8
382.26678	1.1
396.10214	1.5
408.94153	0.8
463.74362	1.5
465.28522	1.1
473.25717	1.3
483.29388	1.2
501.30643	100.0
502.31064	16.4
519.31702	31.6
520.32037	5.4
542.16602	3.9
543.16907	1.0
561.24384	1.4
561.32739	5.3
562.33301	1.3
605.31201	8.6
606.30115	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.3
57.03450	5.9
59.01380	100.0
60.01715	3.9
61.98829	8.4
68.99809	1.9
69.03455	2.4
69.57753	11.0
71.01385	33.2
72.00896	1.2
72.99316	5.5
73.02962	6.8
74.02490	1.5
75.00877	21.0
79.95732	3.6
81.95304	1.3
83.01394	17.4
85.02958	38.5
86.03301	1.1
87.00883	10.5
89.02449	10.1
93.03497	1.5
94.00148	1.1
95.01395	6.8
95.95259	1.7
96.96018	56.1
98.95605	20.8
98.96404	3.2
99.00887	13.1
99.04551	2.5
100.01253	1.3
101.02467	7.6
102.02824	1.3
103.00389	5.3
103.04092	1.2
109.02984	1.3
111.00912	2.8
112.48320	1.2
113.02462	36.3
114.02782	2.8
115.00410	3.4
115.02953	1.4
117.01951	2.1
119.05016	2.7
120.01259	1.7
121.03036	2.0
122.03764	3.2
123.04623	1.6
129.01967	8.2
131.03581	1.7
137.06142	2.4
137.09747	1.5
138.97110	2.0
147.03032	1.3
148.88974	1.4
149.04556	3.8
154.99916	3.7
160.04016	1.9
161.04544	3.0
163.04077	2.9
165.05505	1.8
175.02527	4.0
189.12843	3.0
191.02037	2.1
193.99347	1.3
205.12373	2.1
207.05022	1.7
207.13998	8.1
223.13351	2.2
241.00273	3.1
249.06143	18.8
250.06519	2.4
251.06458	1.6
267.07196	53.7
268.07465	7.1
269.07764	5.0
315.64246	1.1
357.13382	27.4
357.17368	2.2
357.26633	1.6
358.13925	3.5
399.16620	2.8
431.16827	2.0
455.19504	2.4
456.19370	3.0
457.20700	63.3
458.21115	8.3
473.16010	1.8
474.14542	1.3
500.18399	1.5
501.19620	45.9
501.30353	12.4
502.20096	6.1
502.85391	1.4
519.20441	6.9
519.32098	2.9
559.20422	1.7
561.21820	76.2
562.22327	12.0
604.30695	29.2
605.15192	2.2
605.30817	90.3
606.30664	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	605.209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.3
57.03440	3.7
58.00601	1.0
59.01091	1.3
59.01380	20.3
61.98837	1.2
68.99808	1.5
69.03451	2.2
70.36687	0.9
71.01385	25.5
71.19289	2.0
72.99302	4.4
73.02945	4.6
73.58640	0.9
75.00880	19.6
79.95689	1.1
81.03455	1.1
83.01376	1.3
83.05025	2.1
85.02959	25.6
87.00883	8.4
89.02448	7.7
91.04021	1.2
95.01394	5.7
96.96017	6.6
99.00892	12.7
99.04487	0.9
101.02470	2.6
103.00366	3.6
111.00901	1.6
113.02463	34.5
114.02747	1.3
115.00378	2.5
117.01928	3.9
117.38960	0.8
129.01938	4.0
131.03506	1.7
133.10210	1.3
135.11839	5.1
147.03038	1.1
149.04588	3.3
159.08163	3.8
160.22466	0.9
160.61028	1.0
161.09747	6.4
162.10037	1.2
165.04037	9.6
166.79538	0.9
175.02437	3.1
179.10789	15.1
195.06555	1.0
205.07069	2.4
207.05008	1.1
231.05214	1.4
249.03690	1.7
249.06149	20.8
257.13876	5.4
267.07181	55.3
268.07535	3.0
278.30746	1.0
354.24673	1.1
412.30109	0.9
429.12396	1.5
429.17697	19.4
430.17798	1.9
473.16635	100.0
474.16980	15.3
474.23358	1.2
491.16049	1.6
605.20813	47.6
606.21118	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	604.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.1
59.01378	17.4
61.98829	100.0
69.45868	2.6
71.01385	13.7
71.05040	0.9
73.02952	0.7
75.00915	0.4
76.04065	0.3
78.95905	0.3
79.95761	0.5
81.83591	0.3
83.01403	0.4
85.02969	1.6
88.73452	0.3
88.98952	0.3
89.02462	1.1
89.06094	0.8
95.01446	0.3
95.05009	0.3
96.96021	3.6
97.02979	0.7
98.56185	0.3
99.00882	0.3
101.02459	1.4
103.32684	0.2
107.41644	0.3
113.02442	1.7
119.03581	0.3
121.02966	4.0
121.03748	0.4
134.03777	1.2
161.04572	0.4
177.09192	0.3
178.74052	0.3
197.12007	0.3
211.13361	0.3
221.08192	3.1
222.08589	0.3
227.12885	0.4
233.10414	0.9
237.07742	1.2
253.09303	4.0
291.08755	7.4
291.19632	5.1
292.09030	0.4
309.20706	10.3
358.97437	0.3
381.11917	6.9
382.12399	0.4
423.12991	5.2
424.13419	0.7
519.23120	1.3
545.29871	0.5
560.32196	0.3
561.24231	0.5
604.31500	0.5
605.23413	1.4
605.32678	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33978	1.8
57.03459	2.2
59.01387	12.4
61.98840	2.2
62.14868	1.8
71.01385	14.8
71.72307	3.2
72.99320	3.1
73.02962	5.1
75.00877	5.3
79.95753	2.9
83.01383	5.3
84.26793	1.9
85.02954	8.2
87.00892	18.7
96.96026	18.6
98.95589	4.5
99.00903	9.8
101.02470	3.2
105.15988	3.1
105.59968	1.7
111.00911	9.6
113.02457	4.3
115.00393	100.0
116.00726	2.5
116.92861	4.8
120.01287	2.2
121.02960	3.7
123.04520	4.6
128.03479	2.2
129.01938	3.7
134.03755	11.6
139.00375	8.1
143.00732	2.0
147.04507	2.9
148.05304	7.7
149.02458	2.9
149.06108	10.7
157.01439	24.3
160.05266	1.9
161.02466	2.9
162.03273	4.9
163.03958	2.4
163.07671	4.2
164.04787	2.0
165.05672	1.9
174.01706	8.6
175.02536	53.6
175.03976	4.7
176.02841	2.0
177.05542	6.0
188.04849	2.4
189.05470	4.2
190.02731	3.1
192.04309	4.9
203.03381	3.4
204.04274	3.0
205.05113	3.5
206.05859	5.5
207.06551	13.4
217.05072	6.3
219.06589	6.6
220.07097	2.2
221.08200	8.1
232.03749	3.3
233.04555	2.1
237.07764	3.4
241.00154	3.3
245.08241	4.6
246.05379	3.6
247.06210	9.5
248.06807	8.3
251.05544	7.2
252.08792	2.0
261.07428	2.6
265.07086	4.2
267.08563	2.4
289.07138	8.9
291.05148	13.3
306.07736	2.7
321.09808	62.6
322.10107	7.9
323.07648	3.6
351.07257	2.6
365.08594	2.7
411.66595	2.5
413.10718	7.3
483.15015	8.2
485.12961	36.3
486.13321	6.3
527.14014	4.2
605.13904	8.6
610.04285	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	603.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16987	0.5
59.01371	1.4
60.99309	15.4
61.98843	0.7
70.88415	1.4
70.88773	0.9
78.95916	0.8
81.78550	0.6
87.00888	3.3
87.57598	0.6
88.00420	8.2
88.04057	1.7
88.98817	100.0
89.02451	57.6
90.02785	1.0
91.47907	0.6
96.96010	1.1
115.24667	0.7
119.05037	0.9
121.02966	0.7
152.90430	0.5
231.90773	0.7
277.21790	1.0
277.28876	0.6
324.97989	1.0
325.39120	0.6
559.54016	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45791	0.3
59.01382	0.7
60.99308	14.9
71.01350	0.4
71.54973	0.3
71.73386	0.6
73.67865	0.3
87.00886	2.6
88.00413	7.5
88.01240	0.5
88.04053	1.5
88.98816	100.0
89.02452	54.1
89.99152	1.4
90.02769	0.4
110.47484	0.4
164.55177	0.4
277.21783	2.7
278.22177	1.0
315.75739	0.4
434.87296	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16722	2.5
57.03444	3.4
59.01093	6.1
59.01378	72.9
61.98829	18.6
67.22821	2.4
71.01385	17.0
71.72833	3.4
73.02940	3.3
75.00903	4.1
83.01418	5.0
83.05011	3.2
85.02959	10.7
88.11336	2.6
89.02456	9.6
95.01399	3.1
96.96051	18.7
97.06596	5.4
99.00869	2.6
101.02440	12.8
113.02453	7.0
114.07676	2.6
125.09693	7.3
161.04582	4.2
163.11278	8.4
171.10257	2.9
177.05539	7.0
185.11815	5.2
191.14429	11.7
207.10194	6.4
209.11841	24.0
225.11250	4.5
237.11243	3.7
245.19128	20.0
253.09288	40.5
263.20090	4.2
289.18066	100.0
290.18448	10.9
307.19162	96.9
308.19400	10.5
543.28094	4.2
603.30127	11.4
604.23969	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	604.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	0.2
59.01380	11.9
61.98830	100.0
62.22739	0.1
62.98531	0.3
69.07008	0.2
69.70122	1.3
71.01385	12.2
71.05019	0.3
72.01729	0.3
73.02953	0.4
79.95734	0.2
83.01402	0.5
85.02979	0.5
87.04517	0.4
89.02464	0.3
89.06084	0.8
95.01447	0.2
96.96030	0.5
97.02982	0.2
101.02466	0.5
109.78474	0.2
111.00910	0.2
112.01763	0.2
113.02486	0.7
121.02962	1.3
125.02518	0.3
134.03725	0.3
165.01991	0.2
179.70847	0.2
219.06390	0.2
221.08350	0.4
233.10426	0.6
237.07776	0.5
291.08679	1.5
292.09454	0.2
381.11932	5.2
382.12329	0.6
408.97931	0.2
423.12946	2.7
424.13202	0.2
479.94363	0.2
522.04523	0.2
561.33221	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43969	0.5
53.79879	0.5
57.03445	3.7
59.01374	1.0
61.22361	0.5
61.85667	0.5
61.98828	0.9
65.40704	0.5
69.03480	0.5
69.54082	4.1
72.15796	0.5
83.05068	0.9
85.25386	0.5
95.05049	0.8
96.96035	0.9
97.06600	11.5
98.20679	0.9
123.08171	8.1
125.09740	100.0
126.10065	4.4
139.04405	0.5
143.10852	1.2
169.08734	2.5
187.09772	76.1
188.10107	4.4
225.11313	1.0
243.12352	2.1
261.13397	11.9
262.13708	0.9
322.93909	0.5
404.97614	0.6
431.22849	17.7
432.23071	2.2
583.31207	0.7
601.32306	86.6
602.32678	16.6
605.93018	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	3.4
59.01379	57.8
60.01716	1.1
61.98833	1.0
67.01884	1.1
68.99823	1.6
69.03468	1.2
70.28962	3.5
71.01385	23.7
72.99304	4.2
73.02950	2.0
75.00878	18.7
83.01379	2.1
85.02958	30.4
87.00881	8.4
89.02434	5.2
91.04020	1.3
93.03467	1.1
95.01385	6.6
96.96024	14.9
98.95626	1.1
99.00897	11.6
101.02458	1.7
103.00386	4.6
113.02463	40.7
115.00375	2.0
117.01968	2.7
129.01933	2.2
131.03522	0.8
138.97075	1.3
150.06845	1.9
157.01416	1.6
160.04056	1.0
161.13342	5.6
175.02499	3.4
187.11269	2.4
198.99150	1.1
205.07216	1.2
205.12320	13.6
206.12688	1.6
207.05081	2.2
223.08253	0.9
223.13376	0.8
231.04984	1.6
249.06139	23.8
249.11310	0.9
250.06342	0.9
254.39099	0.7
267.07190	100.0
268.07529	5.5
283.00583	0.7
320.38004	0.7
437.17725	0.9
455.19223	50.3
456.19653	7.9
499.18225	25.2
500.18509	2.5
517.19104	5.4
518.19830	0.9
559.20361	65.7
560.20605	11.7
603.30518	22.2
604.30750	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	601.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52458	0.3
54.71425	0.3
55.01871	1.0
57.03446	1.7
58.00595	2.2
59.01378	37.6
60.01708	0.6
60.99301	0.3
61.98840	0.3
67.01871	0.3
68.99805	0.4
69.03457	1.9
71.01385	49.5
71.73285	0.4
72.01715	1.1
72.99310	3.3
73.02948	8.8
75.00886	1.4
77.21555	0.3
79.96401	0.3
81.03410	0.3
83.01394	11.1
84.01720	0.3
85.02957	12.9
87.00883	54.4
88.01202	0.7
89.02451	36.3
90.02792	0.7
95.01386	5.0
95.05083	0.3
96.96010	0.5
97.02962	2.6
97.06596	0.7
99.00894	2.8
99.04539	0.7
101.02455	31.4
102.02795	0.5
111.00893	1.2
111.08154	0.3
113.02460	34.8
114.02788	1.1
115.04015	1.7
117.01927	0.4
119.03521	10.7
125.02453	2.3
125.06100	1.0
127.07638	0.4
127.11285	0.3
129.01984	2.5
131.03519	3.1
139.00351	0.4
139.04041	0.3
139.07690	1.4
141.01958	3.2
143.03514	10.7
144.03897	0.3
149.04575	1.3
158.87610	0.3
159.02989	0.8
161.04568	12.4
162.04910	0.5
179.05612	17.6
180.05919	0.4
195.91769	0.3
203.05580	0.3
205.19688	0.6
219.05064	0.3
255.21123	0.8
259.20499	0.6
261.22241	0.5
263.23712	0.8
273.22189	3.6
274.22354	0.7
275.20102	0.4
277.21710	100.0
278.22061	10.2
291.23291	24.0
292.23550	2.5
301.21744	2.5
302.22046	0.4
303.23203	0.4
319.22769	10.2
320.23077	1.1
323.09818	21.9
324.10162	1.4
331.22775	0.9
341.10889	62.6
342.11243	4.2
349.23709	1.1
373.23639	0.4
379.25198	0.3
537.89801	0.3
601.32227	2.9
602.32782	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78285	0.2
59.01384	1.1
61.98822	0.8
69.68813	1.6
71.01373	1.1
73.02966	0.4
76.13879	0.2
79.95744	4.3
80.96519	1.4
81.42637	0.2
84.53123	0.2
85.02960	0.8
89.02465	0.3
94.55775	0.2
95.95245	3.6
96.96021	56.1
97.95958	0.3
98.95631	0.3
101.02441	0.6
113.02423	0.3
114.08713	0.2
122.97606	0.8
138.97095	1.7
150.97072	1.4
164.98595	0.4
175.41933	0.2
177.04126	0.3
180.98125	0.5
190.10478	0.2
190.73845	0.2
198.99225	0.6
215.87314	0.2
222.99307	0.3
225.00723	0.5
241.00259	3.7
241.02556	0.4
256.99713	0.5
341.09244	0.3
406.89365	0.2
478.98651	0.2
553.27039	1.1
571.27899	0.9
601.28967	100.0
602.29303	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	601.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.9
55.49023	0.2
57.03443	1.3
58.00591	3.0
59.01377	57.8
60.01704	0.7
68.99815	0.3
69.03465	0.9
70.93517	0.5
71.01383	55.4
72.01729	0.8
72.99307	3.4
73.02950	2.7
75.00866	0.7
81.03472	0.3
81.31899	0.2
82.19803	0.2
83.01392	5.7
83.05019	0.2
85.02956	9.3
86.03285	0.2
87.00881	14.9
89.02448	51.5
90.02783	0.7
93.27197	0.2
95.01396	3.0
96.95963	0.2
97.02961	1.2
97.06570	0.2
99.00884	1.4
99.04520	0.3
101.02452	28.4
102.02776	0.7
105.89193	0.2
107.03481	0.3
108.85913	0.2
111.00903	0.7
113.02460	26.6
114.02810	0.7
115.04021	0.7
117.01946	0.4
119.03513	20.3
120.03844	0.4
125.02473	1.8
127.07683	0.2
129.01968	0.9
131.03517	3.3
133.19034	0.2
138.21286	0.2
141.01936	1.2
143.03511	8.5
144.03876	0.3
149.04576	1.9
159.02997	0.7
161.04567	9.0
179.05621	20.1
180.05936	0.6
203.05595	0.4
205.19569	0.3
233.22797	0.3
259.20639	0.6
263.23822	0.3
273.22183	0.8
273.86920	0.2
275.20020	0.4
277.21701	100.0
278.22043	10.7
291.23260	5.9
292.23520	0.8
301.21689	1.1
302.22226	0.3
303.23145	0.2
319.22739	3.9
320.23196	0.7
323.09821	17.2
324.10229	1.0
331.22760	0.5
341.10880	47.1
342.11230	3.5
349.23874	0.5
358.34799	0.2
373.23792	0.2
391.24805	0.2
404.29575	0.2
454.58600	0.2
556.81683	0.2
567.02032	0.2
601.32385	2.3
602.32587	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.1
61.06365	0.2
61.98827	3.7
62.58436	0.2
71.01386	1.4
71.72923	0.3
73.02959	0.4
75.00882	0.3
79.95747	6.2
80.96529	0.9
85.02953	1.3
87.00874	0.5
89.02454	0.5
90.22681	0.2
94.98077	0.2
95.01392	0.2
95.95236	0.6
96.96022	100.0
97.95982	0.3
98.95621	0.5
99.00890	0.4
101.02461	1.0
105.01980	0.3
107.36077	0.2
108.56471	0.2
109.02956	0.4
110.97604	0.6
112.56940	0.2
113.02458	0.8
113.48645	0.2
120.01260	0.2
122.97591	0.5
124.39638	0.2
137.02467	0.4
138.97108	0.6
139.04048	1.0
149.04742	0.2
150.97084	0.4
151.04008	0.4
152.98656	2.9
165.01920	0.3
165.04137	0.4
165.05582	0.6
167.03513	0.3
180.98131	1.0
241.00223	13.2
242.00456	0.5
269.08191	0.4
281.08234	0.3
300.02969	0.4
314.11398	0.3
329.14041	0.3
343.11954	0.7
355.11899	0.4
434.07727	0.2
439.10971	0.3
465.10367	0.5
476.16830	0.6
513.17432	0.2
521.16675	0.8
565.12207	0.3
601.15967	49.7
602.16180	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	601.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.2
61.98825	0.8
70.32767	0.3
70.92287	0.8
71.01376	1.3
73.02972	0.3
75.25959	0.2
79.95737	3.8
80.96526	1.7
85.02946	0.9
88.10995	0.3
89.02473	0.4
95.95246	1.0
96.96021	66.2
97.95943	0.5
98.95602	0.6
101.02456	0.9
113.02505	0.7
116.92867	0.3
122.97607	0.7
138.97090	8.3
150.97108	0.7
161.04555	0.3
164.98587	0.4
168.98132	0.7
174.12738	0.3
177.04079	0.4
198.99191	5.0
213.77322	0.3
241.00197	2.7
256.99689	0.6
259.01224	2.1
296.23541	0.3
300.02832	0.6
379.06497	0.3
399.13400	0.8
427.16135	0.4
449.09869	0.6
513.23950	0.8
553.26868	4.1
554.27228	0.7
571.28052	2.9
572.28381	0.8
601.28992	100.0
602.29364	18.2
602.39307	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00029	0.2
57.03426	0.2
59.01374	1.3
61.98827	0.7
69.73848	1.4
71.01379	1.4
72.99329	0.4
73.02930	0.3
78.95910	0.3
79.95737	5.5
80.96522	2.2
85.02968	1.0
87.00875	0.6
89.02459	0.3
90.54353	0.2
94.98073	0.2
95.95238	2.2
96.96019	100.0
97.95953	0.4
99.00911	0.2
101.02446	0.5
108.90535	0.2
109.02943	0.3
110.97601	1.8
113.02469	0.7
113.43423	0.2
122.97593	0.5
130.08725	0.3
138.97101	4.7
143.03555	0.2
150.97064	0.8
152.98679	0.3
161.08218	1.5
164.98616	0.6
168.98108	0.4
177.31392	0.2
180.98105	0.6
191.01981	0.3
203.09291	0.3
206.96165	0.2
209.02954	0.2
222.99176	1.0
225.00772	1.1
228.15189	0.2
241.00226	16.9
242.00488	0.7
299.09125	0.3
313.10834	0.5
344.12781	0.9
359.15018	1.8
360.15344	0.3
415.92294	0.2
447.09671	0.3
601.15900	62.1
602.16211	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	601.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79466	0.1
52.92849	0.1
59.01376	2.7
60.01715	0.3
61.01809	0.2
61.98831	12.3
68.76691	0.1
70.91874	0.5
71.01383	1.5
72.01710	0.2
79.95741	6.4
80.96533	0.2
83.01395	0.2
85.02949	0.3
87.00871	0.2
89.02448	1.5
95.95256	0.3
96.16245	0.2
96.96021	100.0
97.95966	0.5
100.16148	0.1
101.02451	0.6
108.02196	0.1
108.98427	0.1
110.97591	0.8
113.02462	0.6
119.03519	0.5
125.02480	0.3
128.30658	0.1
134.03737	0.1
136.01718	0.3
136.21631	0.1
138.97112	0.2
149.02469	0.2
149.06105	0.3
151.04010	0.7
151.61823	0.1
161.04619	0.2
179.05623	0.7
179.07077	0.2
181.06146	0.2
182.32193	0.1
241.00233	0.5
259.01282	0.6
268.07410	0.2
269.08115	0.2
269.11783	0.3
270.08887	0.2
283.09839	0.5
285.11349	0.2
291.77826	0.1
298.08487	1.3
299.09235	0.3
313.10788	2.1
314.11401	0.5
315.12122	0.1
328.13135	2.6
329.13684	0.5
438.10287	0.2
439.10571	1.9
440.11273	0.3
601.15942	47.0
602.16248	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	599.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77887	0.2
57.03426	0.6
59.01383	4.7
61.98834	2.9
63.81136	0.3
64.70320	0.3
69.03451	0.4
69.72871	0.8
69.73283	1.0
71.01386	2.9
72.99306	0.7
73.02961	1.3
75.00874	0.3
78.95916	0.4
79.95741	5.6
80.96522	1.7
83.01401	0.7
85.02943	1.7
87.00883	0.7
87.23204	0.3
89.02468	0.9
95.01433	0.5
95.95236	2.6
96.96023	79.9
97.02898	0.3
97.95947	0.3
98.95607	1.7
98.96445	0.4
99.00884	0.8
99.04535	2.0
101.02445	1.7
113.02463	1.1
122.97599	0.8
125.02443	0.4
129.01990	0.3
138.97092	3.2
143.03545	0.3
145.02927	0.5
146.55771	0.3
150.03322	0.3
150.97102	1.1
152.98689	0.3
161.04535	0.5
161.05899	0.3
164.98683	0.5
168.98082	0.5
176.98619	0.3
177.04039	0.5
180.98135	0.7
198.99196	1.8
241.00244	5.7
256.99640	0.8
259.01297	1.0
270.08698	0.4
300.02866	0.4
301.03616	0.3
305.99570	0.3
329.10172	0.4
341.10236	0.8
344.12701	1.1
351.21878	1.5
356.12607	0.6
359.15012	3.0
360.15240	0.3
365.78897	0.3
371.14948	2.0
387.20523	0.3
455.19574	0.4
513.20038	0.4
519.24829	0.4
555.28668	0.3
569.26489	5.6
570.26813	0.7
599.27435	100.0
600.27783	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	599.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.5
59.01383	2.8
61.98830	5.6
71.01380	1.6
71.72950	0.3
71.73293	0.3
72.99311	0.4
73.02966	0.7
75.00891	0.3
78.95924	0.3
79.95745	4.6
80.96518	2.3
83.01398	0.6
85.02963	1.4
87.00877	0.7
89.02457	0.2
90.38926	0.2
92.68334	0.2
93.03499	0.3
95.95246	2.1
96.96021	91.1
97.95984	0.5
98.95592	0.3
99.04550	0.4
101.02448	1.6
113.02464	1.0
119.03520	0.2
119.05011	0.3
122.97580	0.6
123.04532	0.3
125.02460	0.5
138.97081	8.4
150.03256	0.4
150.97072	0.7
151.04042	0.4
152.98657	1.8
164.98616	0.4
165.05611	0.4
167.03455	0.5
168.98151	0.6
177.04106	0.7
180.98134	1.0
182.14474	0.2
191.01917	0.3
193.05217	0.3
198.99200	5.3
211.02573	0.4
222.99132	0.3
225.00862	0.3
241.00235	11.0
242.00581	0.6
256.99652	1.5
259.01282	2.7
271.04706	0.4
301.03333	0.3
383.13742	0.5
387.20380	0.4
438.40045	0.3
447.09503	0.5
511.22299	1.0
519.24329	0.5
537.19446	0.4
551.25305	2.9
552.26868	0.3
569.26416	4.2
570.26709	0.7
599.14966	10.2
599.27454	100.0
600.15173	2.1
600.27753	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	601.028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01705	1.0
61.49782	0.6
61.98820	2.9
71.71384	0.8
72.99316	0.6
104.45261	0.5
114.48470	0.7
115.02525	3.3
117.00452	9.9
117.01255	0.6
118.00597	0.7
132.98245	1.5
141.00429	0.8
157.00008	1.1
157.03622	2.1
159.01509	73.0
160.01660	5.5
170.97926	0.7
172.97672	0.8
174.99255	18.8
175.99541	0.6
176.98135	7.0
177.98253	0.6
201.02548	26.0
202.02727	2.3
217.00310	51.4
218.00742	1.6
259.01706	3.3
260.01639	0.7
264.61407	0.7
272.85498	0.8
274.85184	0.8
274.99496	2.6
283.01544	0.8
301.02667	56.0
302.02832	10.6
314.86505	1.0
316.86252	1.3
317.00430	36.7
318.00690	4.6
332.02121	0.6
332.98486	1.9
359.01492	21.7
360.01584	2.8
374.99521	2.0
401.02710	1.1
417.00555	0.8
456.99673	0.9
458.87457	0.9
459.01614	15.7
460.01639	4.0
485.93390	0.7
541.00568	39.4
542.00702	11.4
600.99481	1.0
620.07819	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00598	3.7
59.01377	100.0
59.69662	1.4
61.98830	4.8
64.60500	1.0
68.66207	1.3
71.01383	64.4
71.06231	2.2
72.99310	4.2
73.02966	1.3
79.95768	1.6
83.01416	3.0
85.02954	13.4
87.00893	4.1
89.02453	84.2
90.02795	2.3
91.90960	1.2
95.01408	4.9
96.96030	11.8
97.96600	1.4
101.02451	30.0
113.02457	28.8
119.03513	35.4
125.02426	1.2
131.03505	5.2
131.07169	2.0
143.03529	8.9
143.99535	1.4
144.00589	1.6
149.02490	4.1
149.04503	2.4
161.04594	10.7
164.04803	1.8
165.05635	2.0
166.06354	1.8
179.05624	47.5
179.07201	2.7
180.06007	1.9
181.08669	1.9
191.02013	2.1
195.06593	2.2
231.28918	1.2
231.65558	1.2
241.00198	1.7
242.22404	1.3
329.13943	2.1
337.36212	1.4
347.24203	1.3
359.14795	2.0
441.90546	1.2
457.01767	1.3
501.24106	1.4
522.83527	1.4
526.68610	1.2
599.20264	5.8
600.19739	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	598.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02975	7.4
59.01378	4.6
61.00152	0.3
61.98827	4.5
66.03489	1.0
69.03484	0.3
70.03001	0.3
71.01385	2.5
71.42763	1.0
72.00909	1.3
73.02971	0.6
74.02478	17.8
78.76412	0.3
78.95943	0.4
80.03805	0.5
81.04583	0.8
82.02995	1.7
82.06606	0.3
83.01358	0.5
84.04546	0.7
85.02970	1.5
85.04072	0.4
86.02488	6.8
86.06135	1.1
86.99126	1.1
87.00872	0.5
87.02809	0.4
87.04521	0.4
87.05647	3.7
88.04100	0.7
89.02448	0.7
90.00205	1.6
95.02495	0.5
96.04575	0.5
96.96028	6.7
97.04063	1.9
98.02529	0.4
99.00935	0.9
99.05656	14.0
100.06008	0.6
100.97070	0.4
101.02459	1.1
101.07214	2.6
102.05631	2.2
107.06164	0.7
109.04077	2.3
109.07713	0.8
111.05653	1.1
112.04057	1.5
113.02462	0.7
116.01799	1.5
120.01286	0.5
123.05646	1.8
124.04027	0.8
125.03625	2.0
126.01975	0.9
127.05161	3.1
127.34106	0.4
128.03557	41.9
129.03894	1.3
129.99713	0.5
131.04681	0.6
135.05640	4.2
137.07249	0.9
139.05197	0.3
141.06728	3.6
143.04642	55.8
144.01271	0.4
144.04936	1.3
145.06195	2.6
146.04631	5.5
149.07204	0.5
153.06729	4.2
155.08311	0.6
160.00754	15.0
161.01062	0.4
165.12840	0.5
166.09927	2.8
167.04626	3.5
167.08241	2.3
170.03392	1.2
171.04124	1.1
171.07776	0.5
175.03775	0.4
177.03401	4.8
179.04646	13.7
180.05029	0.6
180.07718	0.4
181.06247	1.9
181.08734	0.3
184.11017	0.5
185.05754	1.9
192.07780	1.0
197.05682	1.6
198.08823	0.5
210.08850	11.5
211.09184	0.6
213.03520	0.4
222.25128	0.4
223.23541	0.3
228.09846	0.7
236.06769	0.4
241.00201	0.7
242.07851	1.4
254.07811	17.3
255.08049	0.7
272.08862	34.0
273.09265	2.0
273.12082	0.5
288.06589	9.4
289.06921	1.0
291.19806	0.9
306.07651	100.0
307.07928	6.9
400.87570	0.4
469.23596	0.8
504.36435	0.4
580.27020	1.5
598.27917	19.1
599.27588	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	597.305
Annotation	Cinnafragrin D
Peak:m/z	Relative Intensity
59.01376	1.9
61.43732	0.8
61.98814	2.2
65.98351	0.8
69.32755	0.8
71.73498	1.2
78.95910	52.4
89.98666	0.9
96.96977	9.1
103.70072	0.8
150.98090	0.9
152.99605	79.2
153.99945	1.1
171.00659	2.1
223.00119	9.2
241.01184	21.1
242.01511	1.1
277.21832	0.8
281.24866	62.9
282.25214	6.9
315.04800	10.3
384.54926	0.9
428.79767	0.9
597.30481	100.0
598.30829	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	597.3282
Annotation	Cyl-2
Peak:m/z	Relative Intensity
57.03449	2.5
58.00582	1.0
59.01376	20.1
61.98827	5.9
69.03468	1.1
71.01386	15.2
71.73578	1.0
71.73953	0.8
72.99315	1.9
73.02943	3.6
75.00870	0.8
83.01382	1.6
85.02952	5.3
87.00886	1.8
89.02448	6.2
91.88100	0.8
95.01375	1.1
96.96019	13.3
97.02962	0.7
99.00920	1.1
99.98080	0.9
101.02445	7.3
111.08188	3.0
113.02483	4.6
119.03538	1.8
161.04601	0.9
165.12862	24.9
166.13307	1.2
167.14384	1.0
183.13904	62.1
184.14258	3.9
189.12854	5.7
191.10777	1.3
197.15482	15.0
197.17212	1.2
198.15797	1.3
207.13931	1.9
209.11868	2.3
225.15025	2.0
227.12894	4.6
228.13177	0.8
241.14296	0.8
290.18478	0.9
365.75528	1.0
460.13098	0.8
483.16754	0.9
597.33002	100.0
598.33240	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02969	12.1
59.01384	3.5
61.98835	4.0
66.03490	1.3
69.54602	4.3
70.02982	0.5
71.01378	1.3
72.00897	1.4
72.97540	1.7
74.02474	21.7
74.02898	1.1
74.28933	0.6
80.03797	0.6
81.04598	1.7
82.02965	3.3
84.04550	1.1
85.02974	1.0
85.04107	0.7
86.02480	10.4
86.06129	1.8
86.80777	0.6
87.05649	4.1
88.04040	1.4
93.81094	0.5
95.02505	1.1
96.04536	0.6
96.96027	3.7
97.04099	3.3
98.19789	1.0
99.05650	21.7
100.00430	2.6
101.02415	0.8
101.07207	3.6
102.05615	3.3
107.06171	1.6
108.04565	0.7
109.04092	3.1
109.07678	1.1
110.02499	0.7
111.05684	2.5
112.04070	2.3
113.03546	0.7
113.07257	0.6
123.05658	1.8
124.04051	1.1
124.07770	0.7
125.03571	3.4
126.01996	0.6
127.05144	2.7
128.03552	63.6
129.03909	1.5
135.05646	7.2
137.07231	1.3
139.01486	0.6
141.06718	3.1
142.04564	0.6
143.04636	86.1
144.04979	2.0
145.06160	2.9
146.04602	8.5
149.07217	1.0
153.06738	5.1
155.08264	1.1
160.01910	0.6
164.39539	0.5
165.12874	1.4
166.09865	4.7
167.04631	3.9
167.08287	4.0
169.06149	1.0
170.03395	1.4
171.04106	1.6
179.04639	19.3
180.04898	0.5
181.06210	2.6
184.10904	1.7
185.04010	0.8
185.05673	2.0
192.07784	2.5
197.05707	3.2
210.08842	18.7
211.09123	0.8
223.13417	1.2
228.09956	1.9
254.07809	49.0
255.08220	2.5
256.11346	2.3
272.08859	100.0
273.09186	6.4
291.19724	2.6
304.05954	0.9
325.18463	5.6
432.18585	0.6
469.23648	5.6
580.27020	5.8
581.27740	1.2
598.27997	48.0
599.28186	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	597.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.0
57.03445	2.3
58.00586	1.1
58.89012	0.8
59.01377	40.0
61.98794	1.1
69.40938	0.6
71.01382	32.0
71.72201	1.3
72.99306	2.9
73.02949	5.9
75.00868	1.8
75.42037	0.7
81.03476	1.0
83.01383	2.3
85.02956	13.7
87.00885	4.5
89.02451	37.2
90.02790	0.8
93.03434	1.6
95.01383	1.5
95.95237	1.0
96.96013	11.5
97.02979	1.3
99.00877	7.0
101.02454	19.3
103.00399	1.0
103.85258	0.7
105.67516	0.9
111.00878	2.9
113.02465	10.4
119.03524	4.3
119.05042	1.2
120.01247	1.6
121.02943	1.4
122.03680	0.9
125.02441	3.3
129.01939	2.0
131.03520	11.8
143.03503	1.4
147.02956	1.9
149.02492	1.4
149.04572	14.5
150.03284	5.0
153.09236	1.8
155.10799	2.1
161.02592	0.8
161.04536	1.6
164.04794	1.2
165.05583	7.4
166.02661	1.6
171.10252	1.1
180.04222	0.9
181.05113	1.3
191.01953	5.0
191.05644	7.6
195.06561	2.1
209.02957	1.2
241.00247	1.1
249.06226	1.5
261.00052	0.9
293.08578	1.0
337.09180	0.8
405.21213	1.7
449.16483	2.0
461.14450	1.6
465.15939	2.9
511.18399	1.9
537.25452	100.0
538.25830	15.1
553.19794	1.8
597.18134	13.2
598.18982	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	597.219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00666	0.9
55.01868	1.1
57.03447	2.5
58.00586	4.1
59.01379	100.0
60.01714	1.2
61.98833	4.8
67.18906	0.9
69.93033	4.9
71.01385	64.6
72.99324	5.2
73.02949	2.7
75.00887	2.6
76.46706	0.9
79.95741	1.4
83.01404	1.6
85.02961	16.6
87.00889	4.9
89.02453	87.5
90.02786	2.0
95.01391	5.2
96.96016	21.6
98.20603	1.8
99.00880	2.1
101.02456	28.8
113.02461	29.5
119.03512	28.0
120.01258	2.2
120.03874	1.0
121.02993	1.0
125.02441	1.6
129.01959	1.4
131.03528	4.9
135.04530	1.0
142.93233	1.0
143.03523	8.5
146.03738	1.3
149.02423	5.2
149.04552	4.0
150.03249	2.3
155.10773	1.0
161.04597	9.4
161.05907	1.8
164.04784	1.8
165.05571	3.7
175.03941	1.3
179.05644	40.5
179.07147	3.6
180.05966	2.1
189.05554	1.1
191.01979	3.1
195.06561	1.3
196.80203	1.1
201.01619	1.0
241.00212	3.3
249.06149	1.6
267.07269	1.6
271.06351	0.9
274.01910	0.9
289.84464	1.0
307.10397	1.0
327.12424	1.8
357.13431	3.2
399.14496	3.6
441.23456	1.1
511.18222	1.4
537.25641	1.1
537.32965	1.8
561.17419	1.2
579.18286	3.1
597.22107	7.7
598.20178	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	595.2889
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
52.10591	0.6
55.91073	0.7
59.01380	1.1
61.98828	2.5
65.24347	0.6
71.73309	1.1
78.95909	58.5
96.96973	12.5
121.02953	1.5
150.98114	0.7
152.99603	52.2
153.99968	0.8
202.08894	0.7
223.00124	1.6
231.42229	0.7
234.64058	0.7
240.98697	1.5
241.01178	29.4
242.01498	1.1
259.02280	0.9
279.23279	60.0
280.23590	7.6
311.22177	0.9
315.04779	8.1
357.26300	0.7
415.22540	4.8
433.23434	0.9
595.28912	100.0
596.29340	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	597.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03185	0.8
57.03449	10.6
58.48051	0.3
59.01093	0.5
59.01379	10.5
61.98835	17.6
63.02394	0.9
65.00329	2.0
69.03456	0.9
69.71281	2.7
69.71707	0.6
71.01385	4.9
72.99291	0.5
73.02953	2.2
75.24088	0.4
79.95751	2.7
80.96508	0.8
81.03449	0.4
83.01386	2.6
85.02960	3.8
87.00890	1.1
88.98800	0.5
89.01971	0.4
89.02435	2.3
93.03471	0.7
95.01379	0.6
95.95231	0.9
96.96024	22.1
98.95599	0.5
99.00888	0.6
99.04527	6.8
101.02470	6.0
102.02815	0.4
107.01414	4.0
108.02178	0.7
109.02957	1.8
113.02456	2.3
117.03435	0.4
119.03545	0.8
119.05032	1.7
120.01279	0.6
121.02980	4.3
123.04520	0.6
125.02443	1.6
129.01950	1.0
135.04527	0.9
137.02460	0.6
143.03476	0.6
145.02953	0.6
147.02931	0.4
148.01640	0.4
149.02513	0.5
150.03311	0.5
151.00391	20.8
152.00934	0.8
159.04509	0.7
161.04585	4.1
163.00378	3.3
163.04012	1.2
164.01112	0.6
164.98744	0.5
165.02025	0.7
165.05573	0.6
169.01431	0.9
175.04100	0.5
178.99873	10.7
183.04478	0.5
185.00957	0.7
189.02013	0.7
189.13055	0.4
191.01933	1.3
191.03670	0.5
192.00626	0.5
199.04144	0.5
200.75749	0.4
201.05573	0.8
211.03970	1.1
215.03526	0.8
216.04129	0.5
217.01497	0.5
226.02821	0.7
227.03510	2.4
229.05026	1.7
239.03467	0.7
241.00200	1.0
243.02992	5.8
244.03424	1.1
245.04466	1.0
254.02196	1.6
255.02992	18.8
256.03424	1.8
256.99796	0.5
257.04520	0.8
267.06967	0.4
267.67172	0.4
271.02466	36.8
272.02939	4.4
273.03967	1.7
273.17047	0.8
283.02432	1.7
286.59259	0.4
299.01965	3.6
300.02762	77.5
301.03510	100.0
302.03833	9.7
313.03595	2.5
314.04166	0.6
341.06622	0.9
403.07849	0.5
421.09421	1.6
433.07764	93.3
434.08069	12.2
435.16693	1.0
447.07242	13.0
448.07507	1.8
453.17877	2.4
465.08249	17.4
466.08496	2.7
511.18314	0.6
517.22589	1.1
535.22095	1.1
536.30811	0.5
537.20789	0.7
537.32227	0.5
553.18524	0.5
597.12469	12.3
597.22461	45.4
598.12714	3.0
598.22736	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	597.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04628	0.7
55.01880	1.0
57.03441	3.7
59.01384	11.2
68.99828	1.0
69.03458	1.2
71.01389	11.0
71.71947	1.0
72.99319	1.5
73.02948	6.7
73.72739	0.8
75.00862	1.9
79.95723	1.3
83.01383	3.1
85.02958	16.8
87.00881	22.3
89.02473	4.7
93.03476	2.4
95.01340	1.0
95.95222	1.4
96.96024	19.0
97.02962	1.5
99.00880	5.5
100.01672	2.4
101.02448	4.2
103.00387	1.5
109.02985	2.0
111.00897	16.7
112.98808	3.2
113.02422	2.7
120.01270	2.2
121.02962	4.3
122.03770	10.1
123.00899	6.8
123.04525	1.4
124.23254	0.9
125.02425	2.1
129.01935	2.7
130.02792	1.2
131.03522	1.1
132.32436	0.8
133.02986	1.4
134.03749	3.3
135.04553	2.0
136.01680	2.5
137.02507	1.0
138.97118	1.0
142.99855	2.7
145.01445	1.3
145.02974	0.8
147.02992	2.7
147.04535	1.0
149.02467	20.2
149.06047	2.1
150.03246	76.3
151.00377	2.1
151.04089	8.1
153.05530	2.3
155.10733	2.5
161.02428	4.5
161.08165	1.6
163.04013	2.7
164.04832	9.5
165.05586	83.6
166.02731	4.5
166.05923	3.6
173.00954	6.1
174.01628	3.8
175.04048	2.8
176.04800	4.1
177.01892	1.6
177.05476	1.2
178.06371	1.7
179.03465	5.6
179.07181	5.4
180.04329	7.3
181.05087	7.0
188.04712	0.9
189.05637	1.5
190.02748	1.3
191.01962	7.0
191.03526	4.4
191.07129	2.6
192.04128	1.4
193.05035	1.7
193.08636	2.1
193.12260	2.8
194.05861	5.4
195.06638	32.7
196.07001	1.3
203.03470	2.3
204.04082	1.0
205.05006	3.4
206.05812	3.0
207.06749	1.3
209.02954	2.1
209.08188	6.4
210.08456	1.0
211.13373	1.2
219.02937	1.9
219.06403	1.1
221.04512	1.1
221.08228	6.5
233.04558	1.5
234.05351	3.0
241.00169	2.6
247.02530	2.8
247.06082	1.1
249.03995	1.2
249.07753	2.0
261.04065	2.7
262.04834	6.9
263.05460	1.5
264.06296	4.8
265.07120	4.3
266.07834	1.1
276.06339	3.2
277.07211	9.3
285.12457	1.0
291.08746	1.2
322.07181	1.6
337.09265	26.4
338.09723	2.5
341.09189	2.5
341.13516	0.9
357.13278	1.3
369.13385	7.6
400.09924	1.7
413.12341	3.2
425.12274	1.8
443.13275	1.8
449.16281	1.6
461.14536	25.6
462.14865	2.8
465.16336	2.8
473.14621	3.1
485.13724	1.1
491.16141	2.0
511.11292	1.1
511.18384	3.2
521.16425	2.9
531.15167	1.3
533.16650	9.3
534.16547	1.3
537.25647	11.0
537.93420	0.9
538.25623	1.8
553.19849	2.4
579.17224	18.1
580.17468	2.1
597.18323	100.0
598.18610	19.0
623.20038	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95522	0.4
60.60136	0.4
61.98822	0.4
70.30125	0.7
70.30527	0.8
78.95908	57.5
83.45305	0.3
84.54887	0.4
92.28636	0.4
96.96973	11.2
98.36369	0.4
129.31960	0.3
149.88535	0.4
150.98019	1.1
152.99605	89.5
153.99962	1.7
171.00677	3.3
174.27687	0.4
190.26379	0.4
212.40616	0.4
222.98050	0.6
223.00139	9.7
241.01183	24.4
242.01569	0.7
245.52715	0.4
259.02271	1.0
261.22134	0.4
279.23276	63.7
280.23627	7.7
315.04858	13.8
316.05298	0.5
322.75864	0.4
333.05768	1.1
338.17093	0.4
595.28882	100.0
596.29199	18.0
596.43781	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.289
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
59.01371	0.5
66.06113	0.5
71.05849	0.8
71.06199	1.2
75.89629	0.4
78.95911	59.9
80.91688	1.8
94.75293	0.5
96.85010	0.4
96.96976	12.2
136.15915	0.5
150.98027	1.1
152.99606	96.4
153.99953	2.0
162.64638	0.5
171.00658	3.0
185.93507	0.6
223.00140	9.8
241.01190	24.8
242.01631	1.1
259.02209	1.8
279.23294	63.8
280.23627	7.2
315.04843	14.0
316.05325	0.6
323.53665	0.5
333.05856	1.5
400.21909	0.5
434.32278	0.6
493.22327	0.5
518.46039	0.5
523.02698	0.5
525.30609	0.6
595.28906	100.0
596.29291	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	595.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.4
56.19511	0.3
57.03456	1.5
58.00585	1.3
59.01377	20.0
60.01716	0.3
61.98829	0.5
67.01890	0.7
67.05535	1.1
68.99805	1.7
69.03452	1.3
70.01114	1.8
71.00992	0.7
71.01385	14.3
72.99311	3.6
73.02944	2.5
74.17308	0.3
74.99118	0.3
75.00878	9.8
76.61691	0.3
79.95729	1.2
81.03453	0.7
83.01403	1.5
83.05037	0.6
84.02151	0.4
85.02960	13.9
86.03292	0.4
87.00876	3.5
89.02451	4.2
91.04008	0.6
93.03475	0.9
95.01405	3.4
95.95223	0.5
96.96021	7.0
96.96581	0.3
97.02946	0.6
99.00883	5.0
99.04517	0.4
101.02466	2.0
103.00387	1.6
103.04042	0.5
106.48506	0.3
109.02972	0.9
111.00886	0.9
111.04532	20.0
112.04871	0.6
113.02461	12.4
115.00370	1.0
117.01940	1.6
119.03513	0.4
120.01232	1.1
121.02966	6.5
125.02443	0.5
127.04050	0.5
128.03546	0.3
129.01953	1.7
134.03790	0.6
137.09744	0.4
139.00348	0.5
147.03026	0.6
149.06039	0.4
157.01476	0.6
161.04549	0.3
165.05626	0.4
168.04134	0.3
171.10237	0.3
175.02521	1.7
178.02863	0.4
181.08705	8.2
182.09125	0.7
189.04068	0.8
191.01987	1.3
193.04967	0.5
204.06639	0.5
209.04602	6.1
210.04825	0.5
215.09271	0.3
231.05093	3.0
232.05499	0.4
241.00276	0.7
244.08679	0.4
249.06149	26.2
250.06453	1.3
267.07178	1.6
305.06906	0.4
360.10547	0.4
361.11075	0.3
371.13318	0.4
373.13849	1.2
384.15485	1.2
386.14948	0.4
413.14612	0.8
431.15579	100.0
432.15921	12.9
463.17200	1.2
473.16904	0.4
474.16977	0.9
509.09436	0.9
551.10706	1.1
551.18384	0.6
577.21527	0.5
595.09546	0.5
595.22949	15.7
596.23389	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	595.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.8
57.03452	3.6
58.00592	1.6
59.01382	28.5
60.01709	0.6
61.98838	0.9
67.01875	0.7
68.99819	1.5
69.03461	1.6
71.01389	22.9
71.49507	0.5
72.01704	0.5
72.99313	5.7
73.02957	4.1
75.00882	13.2
79.95741	0.6
81.03468	1.3
83.01412	1.8
83.05022	0.8
84.02190	0.4
84.91281	0.3
85.02961	24.6
86.03326	0.9
87.00891	5.1
88.12481	0.4
89.02454	6.2
91.04025	1.0
93.03475	1.0
93.31390	0.4
95.01392	5.2
96.96023	5.9
97.03033	0.4
97.27852	0.4
99.00895	8.8
99.04535	0.8
101.02454	3.6
102.04729	0.3
103.00375	2.2
103.04023	1.6
106.25370	0.4
109.02989	1.3
109.22304	0.3
111.00905	1.2
111.04567	0.6
112.01644	0.3
113.02460	21.7
114.02789	0.9
115.00401	1.5
115.04036	0.5
117.01984	1.9
119.03493	0.9
119.05004	0.4
119.08691	6.6
120.01250	1.8
124.04050	0.4
127.03987	0.5
129.01978	2.0
131.03540	0.4
134.03709	0.5
137.02507	0.5
139.04089	0.4
142.14063	0.3
147.02988	0.4
150.03285	0.5
153.09253	1.1
157.01465	0.8
160.01933	0.4
163.07642	2.8
165.05521	0.6
165.09250	1.9
175.02513	2.1
179.10727	0.6
180.11130	0.7
183.10162	0.4
189.04106	1.1
191.01959	1.5
205.07207	0.8
207.05052	0.7
209.03079	1.1
231.05109	2.4
241.00258	0.7
249.06154	23.7
250.06465	1.7
267.07205	13.2
268.07578	2.2
327.14539	1.0
343.12903	0.4
345.15625	0.7
372.78793	0.4
373.13974	1.0
385.55008	0.4
391.14111	0.6
402.99918	0.4
403.16110	0.5
415.16232	1.2
429.17761	0.5
430.18225	1.5
433.16681	0.5
447.15271	1.6
463.17291	1.3
473.16473	2.7
474.16986	9.7
475.17514	1.1
505.18869	0.4
509.16791	0.5
535.23975	0.6
551.18732	0.4
559.20215	0.4
565.21405	7.4
566.21967	1.0
577.11993	0.8
577.21460	30.9
578.21796	5.2
595.22534	100.0
596.22919	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3862
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98543	0.2
69.41784	0.3
69.42202	1.3
79.54862	0.2
92.95798	0.2
355.73346	0.2
391.97571	0.2
509.29150	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3862
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13606	0.3
61.98831	100.0
70.03598	1.5
76.03879	0.3
78.95947	0.3
98.19978	0.6
122.08643	0.4
183.19633	0.3
272.76462	0.3
281.25034	0.7
302.76230	0.3
346.85043	0.3
407.89911	0.3
410.22870	0.3
604.68018	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.167
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
57.03439	1.5
57.34352	0.7
59.01373	6.2
65.00336	1.2
68.99824	1.3
69.03432	0.7
71.01388	4.4
71.72151	1.1
72.99297	1.0
73.02944	1.2
75.00869	1.8
79.01898	1.6
79.95726	1.2
81.03444	2.2
81.39084	0.8
83.01375	4.7
85.02951	6.9
87.00876	1.6
89.02435	1.9
93.03475	6.2
95.01398	2.4
95.05083	0.8
96.96019	8.4
97.02953	3.8
99.00864	1.4
101.02423	2.1
103.00352	1.3
103.61212	0.7
107.01398	6.6
107.05038	0.9
109.02964	2.1
111.00894	1.7
111.04530	2.3
113.02464	4.3
117.03513	1.0
119.05041	39.2
120.01268	1.6
120.05348	2.1
121.02983	5.1
123.00865	2.1
123.04552	2.6
125.02460	8.6
126.57247	0.8
131.05052	0.8
133.02971	1.1
134.03777	1.2
134.18550	0.7
135.04527	3.7
136.01689	1.1
137.02475	6.0
139.04016	5.8
141.08174	0.8
143.05028	5.9
144.05377	0.9
145.02971	6.0
147.04500	2.2
149.02473	4.7
149.04543	0.7
149.06052	1.2
150.03250	1.9
151.00363	4.9
151.04008	3.1
155.03484	1.1
159.04520	1.3
161.02507	1.1
161.06093	1.5
163.00374	2.7
163.04042	4.0
165.01915	5.7
165.05499	2.5
167.03519	9.8
175.04048	1.4
177.02019	5.3
177.05537	1.8
178.02701	2.4
179.03516	3.4
181.05013	0.8
187.03970	6.9
189.01929	1.5
190.02698	1.1
191.01961	2.2
191.03520	3.8
193.01402	9.2
193.05042	1.7
197.04558	3.5
199.07652	3.0
202.41624	0.7
203.03433	1.1
203.07172	0.8
205.01442	8.1
206.01997	1.3
207.02946	4.6
209.02858	1.7
209.04564	3.0
216.46677	0.8
217.05042	1.5
219.02950	3.3
221.04434	1.8
223.02409	2.4
227.07167	2.5
233.04459	1.7
235.02475	14.7
236.02869	1.7
239.05342	2.0
239.07523	1.1
241.00354	0.8
241.97148	0.8
243.06662	1.1
247.02458	2.0
249.03966	2.2
249.06219	1.0
261.04095	1.7
265.03549	5.5
265.08508	1.6
267.06970	2.7
269.08157	1.5
271.02612	1.6
271.06058	3.5
283.06128	1.6
284.06891	1.0
297.07660	0.9
299.01923	3.7
300.02606	1.0
301.03412	2.3
311.09247	0.9
313.07202	18.2
314.07559	2.1
325.07193	9.6
339.08789	1.1
343.08182	7.1
344.08316	1.3
353.06839	0.9
355.08224	85.5
356.08548	9.1
367.08170	3.9
369.09879	1.1
385.09283	67.4
386.09521	8.7
397.09174	2.7
415.10410	20.0
416.10593	3.0
427.10440	1.4
457.11346	7.1
458.11661	1.4
463.08835	1.1
469.11484	1.0
474.16940	1.3
475.12408	38.5
476.12982	6.0
487.12460	4.4
505.13525	11.3
506.14032	1.3
549.25702	2.3
559.15601	1.0
577.15155	4.7
581.49536	1.0
594.49945	0.9
595.16638	100.0
596.16913	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67533	0.4
55.01851	0.6
57.03447	3.4
58.00557	1.2
59.01377	24.3
61.98800	1.5
62.02363	0.4
62.80398	0.4
67.01887	1.0
68.99790	1.7
69.03432	1.8
69.79163	2.9
71.01385	25.5
71.17686	0.4
72.99308	6.0
73.02952	3.4
75.00879	19.4
81.03432	1.3
81.47557	0.5
82.61610	0.5
83.01362	1.9
84.02090	0.6
85.02958	29.4
86.03297	0.9
87.00883	9.0
89.02450	7.8
90.67542	0.4
91.04005	0.9
93.03407	0.7
95.00830	0.4
95.01398	6.7
96.96020	5.4
97.02932	0.4
99.00268	0.5
99.00893	10.4
99.04485	0.6
99.39481	0.4
101.02451	3.0
101.04288	0.5
102.73964	0.4
103.00407	2.5
103.04001	1.0
109.02930	0.5
111.00916	2.1
111.04503	0.6
113.02459	34.7
114.02756	0.8
114.18025	0.5
115.00338	1.9
116.92863	0.5
117.01936	2.9
119.03560	0.6
119.08685	3.2
120.01265	15.0
125.02388	0.6
127.04041	0.5
129.01961	2.7
131.03484	1.3
133.10219	1.2
134.03745	0.6
135.11807	3.5
139.00369	0.5
149.04486	0.5
157.01401	1.1
159.08168	1.0
161.04691	0.4
161.09685	1.8
163.07614	1.2
165.09163	0.7
175.02480	2.1
179.10788	6.6
180.11066	0.6
189.04057	0.7
191.01942	1.3
191.99852	0.5
193.05020	0.5
205.07159	1.5
207.05124	0.8
209.02963	0.7
213.72142	0.5
223.04488	1.2
223.08102	0.7
231.05107	2.4
241.00142	0.9
249.06143	26.9
250.06548	1.3
255.03021	0.7
267.07193	46.3
268.07373	2.1
283.02258	0.5
284.02765	0.6
285.04080	0.9
286.04306	1.2
288.38339	0.5
327.14600	0.5
373.14145	0.9
403.15875	0.4
415.16104	0.5
421.71378	0.5
429.17670	14.1
430.18103	2.0
447.14926	0.8
455.15735	0.6
463.17407	0.6
473.16629	100.0
474.16983	13.0
507.15564	1.0
528.45605	0.5
551.18506	0.6
565.21381	3.1
577.21472	14.1
594.18652	18.4
595.22614	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	593.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	3.8
59.01380	100.0
60.01704	1.1
61.44717	0.8
61.98831	37.8
69.03475	1.5
71.01389	20.8
71.30837	1.8
72.99313	2.2
73.02947	6.1
75.00884	1.7
75.35107	0.8
83.00954	0.8
83.01377	4.3
85.02963	12.1
86.00103	1.0
87.00903	2.6
88.04065	2.3
88.98809	1.2
89.02472	2.2
95.01413	3.0
96.69826	0.9
96.96025	14.8
97.02988	1.8
99.00902	2.1
99.04543	0.8
101.02466	11.9
103.75625	0.8
109.02964	0.8
111.00939	1.2
113.02454	10.4
115.00371	1.2
121.02965	1.1
123.04538	1.3
125.02402	1.3
126.15739	0.8
129.01903	1.0
137.02367	1.0
143.03487	2.1
145.02966	1.2
151.00444	1.2
159.03001	1.2
161.04576	2.4
163.04086	1.1
167.03511	0.9
227.03423	0.9
241.00227	1.1
259.50333	0.9
271.02518	2.2
299.25995	3.2
300.02734	2.3
301.03546	2.6
345.30148	6.0
364.54031	1.0
395.16898	1.0
412.16769	0.9
441.32132	1.7
447.07257	1.2
453.32047	1.1
461.29089	1.7
489.34341	60.2
490.34802	11.8
507.35324	30.9
508.35797	6.0
549.37170	7.1
550.36365	2.1
593.13000	1.9
593.23566	4.2
594.13171	1.4
594.21893	1.2
594.33569	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	593.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.1
56.85128	0.8
57.03444	3.1
58.28394	0.9
59.01378	100.0
60.01706	1.2
61.98830	44.5
69.03459	1.6
71.01385	21.4
72.99294	0.8
73.02948	5.8
75.00895	1.0
75.06256	0.9
78.95908	1.3
79.95729	1.3
83.01396	4.6
85.02955	13.2
87.00916	2.0
88.04021	1.9
88.98830	1.4
89.02444	2.2
95.01387	2.3
96.96016	12.3
97.02970	1.7
97.06604	0.9
99.00873	2.2
101.02457	12.4
111.00888	1.8
113.02473	9.4
115.00381	1.1
119.05029	1.3
120.01237	1.6
125.02476	1.7
126.57898	0.7
137.09784	0.9
139.04039	1.7
143.03494	3.3
151.00414	1.2
159.03056	1.2
161.04539	3.3
174.01672	0.9
191.01871	1.3
249.63614	0.8
271.02417	1.3
299.25916	3.1
300.02618	1.3
301.03448	1.7
345.30127	4.8
441.32330	1.2
447.07727	0.9
461.29587	1.7
489.34320	65.6
490.34601	12.3
507.35364	31.6
508.35739	4.4
527.15576	0.9
549.36847	8.0
550.36383	2.7
593.22839	7.1
593.32208	2.4
594.33569	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58984	0.4
59.01368	0.7
59.48630	0.4
71.19051	1.0
71.19395	0.7
78.95907	68.0
83.24274	0.5
85.91154	0.4
96.96967	13.2
111.28703	0.4
150.97971	0.7
152.99597	100.0
153.99948	2.0
171.00684	2.7
218.41284	0.4
223.00122	10.6
236.73778	0.5
241.01175	27.9
242.01483	1.0
259.02216	1.7
277.21701	49.9
278.22012	6.0
315.01160	0.8
315.04858	15.1
316.05234	0.6
333.05896	1.4
471.80832	0.5
479.11386	0.5
593.27307	98.8
594.27631	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	593.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36462	0.7
50.50087	0.6
50.70329	0.6
55.01881	1.0
57.03447	5.1
59.01377	100.0
60.01711	1.9
61.84701	0.7
61.98520	1.3
61.98831	21.1
69.03459	1.1
71.00993	1.3
71.01385	18.8
71.28547	1.5
72.99328	1.5
73.02949	5.2
75.00893	3.2
78.95883	3.1
79.95749	1.6
80.91682	1.0
83.01395	3.2
83.05042	0.9
85.02446	0.9
85.02959	16.5
87.00885	2.5
88.04060	2.0
88.98820	1.1
89.02469	4.3
93.03478	2.1
95.01395	2.3
96.96024	14.4
97.02962	1.6
98.20543	0.7
99.00891	2.3
99.04537	1.5
101.02455	9.7
105.83970	0.6
109.02979	1.7
111.00842	0.8
112.01631	0.6
113.02454	10.0
115.00369	0.6
119.03500	1.4
119.05098	1.0
121.02962	3.1
125.02465	1.7
125.06100	1.1
129.01917	1.2
131.03554	0.7
132.03026	0.7
137.09781	0.6
143.03549	1.4
147.03003	1.0
147.04478	1.5
149.02415	0.6
151.00380	0.9
151.07623	1.0
160.04071	0.7
161.04575	3.0
161.09721	1.1
165.05603	1.0
175.00386	1.1
179.10770	1.3
185.15584	0.8
191.01897	1.6
202.99788	1.6
214.26747	0.7
216.00650	1.3
225.05421	0.8
225.30676	0.7
227.03436	1.1
239.03549	1.0
241.00290	1.4
243.03009	1.3
249.06134	1.2
253.04953	1.5
255.03014	4.0
267.02939	2.0
269.04340	2.2
271.02426	3.5
281.04462	1.6
283.02335	2.0
284.03168	1.4
285.03867	1.1
295.02475	4.6
296.03052	1.4
297.04062	8.7
299.01590	1.0
299.25729	1.6
300.02621	2.3
301.03409	2.7
307.02405	1.7
313.03464	3.5
323.01825	1.9
325.03363	2.4
343.05573	0.7
345.07751	0.7
345.26349	1.0
345.30099	3.2
353.03033	6.4
354.03058	0.7
361.07214	1.9
373.07126	2.0
387.20398	1.0
389.06470	2.7
401.06448	2.4
417.05963	3.7
418.06839	3.9
419.07382	2.8
420.08331	0.7
445.05673	1.1
446.06412	30.6
447.07135	40.1
448.07364	6.8
461.23865	1.2
475.26959	0.9
489.34314	47.1
490.34833	8.9
505.16968	1.8
507.18652	1.0
507.35416	16.2
508.35645	2.4
534.33075	0.7
549.35846	4.2
550.27112	0.8
550.36523	1.8
592.71771	0.8
593.12781	32.1
593.22369	4.6
594.12933	9.9
594.21057	0.9
594.31836	3.5
621.12054	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.0
62.96426	0.4
64.65879	0.4
69.61104	3.7
71.01406	0.5
75.00879	0.8
76.34853	0.4
78.95908	68.2
96.96976	12.0
150.98044	1.0
152.99609	100.0
153.99927	1.3
162.77657	0.4
171.00734	3.2
202.94102	0.4
215.96144	0.5
223.00137	11.2
241.01187	25.6
242.01398	1.1
255.08839	0.5
259.02310	1.7
277.21713	48.1
278.22025	5.5
315.04849	15.7
316.05106	0.5
333.05896	1.3
506.89554	0.5
593.27319	99.3
594.27692	21.0
604.85895	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96040	0.2
55.97717	0.3
59.01377	0.9
59.99485	0.2
61.98817	0.5
62.64012	0.3
62.96395	0.3
66.87050	0.3
70.07095	1.5
71.01354	0.3
78.95909	68.4
83.95709	0.3
96.96974	14.0
98.15987	0.3
105.36775	0.3
111.12905	0.3
119.01643	0.3
134.98488	0.6
150.98019	1.2
152.99606	54.8
153.99913	1.0
171.00652	0.4
220.52701	0.3
223.00127	1.7
233.22774	0.4
241.01189	28.7
242.01537	1.1
252.90111	0.3
259.02261	0.6
259.20590	0.5
275.20300	0.5
277.21722	49.0
278.22061	5.9
305.73520	0.3
315.01208	0.4
315.04868	8.2
316.04919	0.3
347.15146	0.3
413.20947	5.4
414.21167	0.9
431.22260	0.7
593.27332	100.0
594.27698	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	593.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.3
59.01379	1.6
60.30146	0.2
63.02394	0.5
65.00329	0.6
70.92472	0.6
70.92844	0.6
73.02940	0.4
83.01398	1.0
85.02959	1.3
89.02450	0.6
93.03475	1.7
96.96005	1.1
101.02474	0.4
101.88499	0.3
107.01393	2.7
109.02934	0.7
113.02453	0.4
125.02454	0.4
129.42583	0.3
132.02219	0.5
135.00893	1.4
141.07047	0.3
143.05046	0.6
145.02959	0.4
151.00345	3.0
153.01894	0.8
154.04189	0.5
155.05000	0.3
157.06595	0.6
159.04472	1.3
161.06160	0.3
163.00385	3.0
164.01112	0.8
165.01968	0.5
167.05016	0.5
169.01523	0.4
169.06595	0.9
171.04492	0.7
174.03221	0.5
175.03955	0.3
178.99954	0.3
179.05537	0.4
183.04523	1.2
185.06055	2.1
187.04013	3.7
189.05591	1.0
191.01988	0.7
195.04549	0.8
196.05267	0.3
197.06068	0.9
199.03964	1.5
201.05627	0.5
204.12125	0.3
211.04019	2.9
212.04570	0.5
213.05559	2.3
214.02859	0.3
215.03491	0.4
223.04082	0.4
223.57788	0.3
227.03490	34.4
228.03839	3.0
229.05052	11.3
230.05353	1.1
239.03481	1.6
240.04225	0.8
241.05025	1.7
255.02966	57.4
256.03534	7.3
257.04526	6.6
257.07065	0.5
258.04749	0.5
264.98804	0.3
267.02954	0.8
274.52924	0.3
283.02414	0.6
284.03250	66.0
285.04004	87.8
286.04364	7.1
286.06836	0.2
327.05115	1.2
450.72903	0.3
474.10556	0.3
533.30005	0.7
534.29492	0.3
549.21967	0.4
593.15112	100.0
594.15442	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	593.2641
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
50.84680	0.3
54.44483	0.3
57.03448	0.4
59.01380	3.6
59.15130	0.3
61.05931	0.4
61.98831	9.4
63.96233	0.7
69.03445	0.6
69.54057	1.8
69.54486	1.7
70.21522	0.3
71.01384	5.9
73.02946	1.6
75.00890	0.5
78.98595	4.5
79.95740	28.6
80.96522	47.7
81.03468	0.7
85.02964	2.0
87.00892	2.1
89.02452	0.5
94.98094	11.0
95.01383	0.4
96.96018	2.8
97.02971	1.3
99.00867	0.8
101.02460	2.6
106.98109	2.3
113.02462	0.9
122.97599	4.0
125.02453	2.2
127.03993	0.6
134.97598	4.1
136.99162	1.1
148.99179	4.6
152.98648	5.8
152.99756	0.6
161.04576	0.4
164.98647	8.9
165.98915	0.5
182.99733	1.7
195.13959	0.4
206.99687	2.9
225.00732	18.0
226.00993	1.0
241.00294	1.1
243.01767	2.0
251.41327	0.4
293.21399	0.6
297.13214	0.4
299.04456	3.0
315.04086	0.5
363.02124	0.4
371.06430	0.8
385.08130	1.0
399.09647	1.3
413.11273	0.9
424.54187	0.4
427.12976	0.4
441.14548	0.6
455.16019	2.3
489.34332	1.0
495.18954	1.9
507.19131	0.4
520.29352	0.4
523.18500	0.7
593.26385	100.0
594.26764	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.6
59.01376	3.5
60.92524	0.3
65.00311	0.5
68.92676	0.3
69.39143	3.0
71.98029	0.3
73.02937	0.6
79.20859	0.3
79.95734	0.7
83.01391	0.7
85.02950	3.1
87.00874	0.6
89.02436	0.8
91.03606	0.3
93.03487	0.5
96.96015	4.8
98.95599	1.3
101.02449	1.1
107.01394	1.3
108.02155	0.4
109.02947	0.7
111.00912	0.8
113.02467	1.0
120.01283	0.4
122.43722	0.3
125.02477	0.4
129.01956	0.7
132.02188	1.1
134.03783	0.4
135.00931	0.8
151.00354	2.3
152.01067	0.4
153.01947	0.9
163.00380	0.8
164.01152	0.6
169.01485	0.4
171.04625	0.4
174.03271	0.3
175.03972	0.5
178.99854	1.3
179.05624	0.3
183.04546	0.6
187.03938	0.3
191.02069	0.5
192.00653	0.3
197.86774	0.3
199.03979	0.4
205.03499	0.8
211.04088	1.4
213.05508	0.5
223.04520	2.2
227.03488	39.9
228.03908	3.4
229.05002	1.4
239.03407	0.7
241.00037	0.3
255.02965	72.4
256.03452	10.2
257.04468	1.6
283.02457	1.4
284.03238	100.0
285.03830	19.6
286.04294	1.7
327.05136	0.5
387.10971	1.0
429.08304	1.5
447.09058	0.4
473.10837	0.6
515.28461	0.6
533.29718	1.0
593.15057	79.0
594.15454	15.5
594.23291	0.2
594.25885	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42896	0.5
55.01895	0.9
57.03445	1.1
59.01377	34.5
60.01696	2.0
61.01822	0.6
61.98828	13.5
63.02394	1.6
65.00322	2.8
69.03472	0.8
69.84408	3.5
71.01380	7.4
72.01711	0.6
72.99298	0.9
73.02955	2.1
78.95908	1.6
79.95737	1.5
83.01385	3.3
85.02944	5.4
87.00872	1.7
88.04048	1.7
88.98814	0.7
89.02448	1.7
91.01875	0.6
93.03468	1.2
95.01386	1.6
96.96021	8.8
97.02952	0.7
99.00887	1.3
99.04520	0.7
101.02453	4.0
107.01395	7.8
108.02237	0.7
109.02951	4.5
111.00900	0.9
113.02455	4.3
113.06012	0.5
115.00404	0.8
117.03471	0.6
119.01391	0.9
119.05051	7.6
121.02962	7.9
123.00941	0.6
125.02477	0.9
129.01942	0.8
133.02992	0.6
135.00914	1.0
137.09619	0.5
139.04010	0.7
145.02982	1.5
147.00865	0.8
149.02466	1.7
149.04539	0.7
151.00391	26.8
152.00842	0.8
161.04602	2.0
163.00383	5.9
163.04007	8.4
164.01160	0.9
164.04425	0.5
167.03612	0.9
169.01450	2.3
175.03960	1.1
178.99869	15.4
180.00142	1.0
183.04549	1.1
187.04022	1.7
189.02011	0.8
190.99951	0.8
192.00658	1.3
193.01534	0.7
198.03230	0.7
199.04010	2.1
201.05652	1.7
203.03400	0.6
211.04012	2.0
215.03534	1.0
225.11385	0.6
226.02734	1.1
227.03523	4.5
228.04051	0.6
229.05013	1.9
235.13451	0.6
239.03519	1.2
241.00246	0.9
243.02986	9.1
245.04538	3.7
249.06235	0.6
253.14401	1.8
254.02156	1.7
255.02971	22.8
256.03445	2.7
271.02460	43.4
272.02905	4.4
273.03983	2.3
283.02469	2.1
284.03146	0.7
285.03934	0.6
299.01965	12.9
300.02744	63.5
301.03513	100.0
302.03864	8.2
339.37128	0.6
429.08197	5.1
447.09299	9.3
448.09650	0.8
461.29099	9.1
462.29373	0.9
475.74524	0.6
487.32666	1.5
488.33115	8.9
489.33411	6.6
506.34177	4.2
507.34338	1.8
549.32922	1.7
593.13037	45.3
593.22986	2.9
593.32715	2.1
594.13312	10.7
594.32941	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91018	0.7
57.03437	2.4
58.09143	0.7
59.01381	38.4
60.01723	1.3
61.69006	0.9
61.98832	9.9
63.02398	1.9
65.00328	2.8
66.64706	0.7
71.01387	8.8
71.73172	0.9
72.99304	0.9
73.02950	2.8
79.95737	0.9
82.74348	0.7
83.01397	3.5
85.02964	6.9
87.00896	1.6
88.04041	2.8
89.02455	2.1
91.01862	0.9
93.03504	1.9
95.01374	1.3
96.96024	13.3
99.00903	1.1
101.02467	3.9
107.01411	8.3
108.02230	1.0
109.02988	6.2
113.02478	4.9
115.00459	0.8
119.03512	1.2
119.05032	7.0
121.02988	6.0
135.00923	1.4
145.03094	0.9
149.02477	1.6
150.99171	1.5
151.00392	29.8
160.01678	0.9
161.04625	1.0
163.00414	4.8
163.04028	9.7
164.01111	1.2
167.03598	1.1
169.01416	2.9
178.99890	15.3
183.04530	1.0
187.04083	1.7
191.95352	0.8
199.03937	1.7
201.05756	1.0
203.03539	1.0
211.04076	2.6
215.03522	1.4
226.02682	1.4
227.03485	5.3
229.05043	2.1
239.03674	1.0
241.00163	1.2
243.02959	7.4
245.04573	3.3
254.02304	1.6
255.02994	23.3
256.03424	2.4
271.02466	45.7
272.02835	4.8
273.03998	2.7
283.02454	2.8
299.02029	12.2
299.26077	1.3
300.02774	63.5
301.03522	100.0
302.03860	8.8
345.30145	2.2
380.16684	0.9
429.08261	3.2
447.09360	8.6
488.33255	2.4
489.34357	13.0
507.35889	4.1
533.33160	2.8
549.32300	4.6
592.32391	1.6
593.13062	60.0
593.22705	3.4
593.74658	1.0
594.13379	11.6
594.22375	1.4
594.32471	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	591.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00883	0.8
55.01879	1.9
57.03442	1.7
59.01379	100.0
60.01702	1.3
60.58626	0.7
61.98821	2.5
69.38604	7.8
69.39020	1.7
71.01385	19.8
72.99313	1.1
73.02950	7.1
83.01398	5.3
85.02965	11.8
86.00146	0.7
87.00882	1.8
88.75597	0.7
89.02446	3.8
95.01402	2.1
95.55675	0.7
96.96036	2.2
97.02956	1.4
99.00887	3.0
101.02463	14.5
109.02973	0.9
111.00909	1.7
113.02461	10.2
113.03180	1.2
121.10288	3.7
122.39272	0.8
124.01639	1.3
125.02475	2.3
143.03549	2.0
159.02986	1.7
161.04596	6.4
185.15472	3.3
261.06976	0.9
329.19800	1.0
343.28622	1.9
344.28543	0.9
347.20859	5.0
457.31610	1.5
469.31805	1.3
487.32758	63.7
488.33020	9.8
505.33798	29.5
506.34119	4.3
547.34857	5.9
548.35223	1.6
591.29517	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.4116
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00919	1.5
57.94874	1.4
59.01377	100.0
59.02676	1.2
61.98823	4.7
63.16056	1.5
63.27804	1.4
63.85686	1.4
69.40162	9.2
69.40585	8.1
71.01375	3.5
73.59204	1.4
89.02461	12.1
91.04017	49.6
96.42004	1.5
96.96039	9.2
98.20668	3.4
132.37625	1.4
217.96698	1.6
259.70709	1.7
313.05774	1.9
321.31622	46.1
321.35406	2.2
322.31946	5.7
365.30615	24.2
366.30981	3.2
383.31662	34.3
384.31827	4.7
406.28043	1.6
439.34253	37.6
440.34625	7.7
457.35321	44.8
458.35724	10.3
469.34274	1.3
591.28430	5.5
592.28638	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	592.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54817	0.2
51.78149	0.2
59.01377	0.6
61.98831	100.0
62.98545	0.2
69.41959	1.7
69.42373	0.2
71.01392	0.5
78.95917	0.2
79.95749	0.5
80.96525	1.3
85.02980	0.3
90.26628	0.2
91.83949	0.2
94.98086	0.2
96.96025	0.5
98.20589	0.3
145.73602	0.2
153.30658	0.2
164.98672	0.3
206.99673	0.2
225.00832	0.4
300.03171	0.2
574.22333	0.3
592.24683	0.9
593.26343	2.6
593.36957	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28130	0.4
55.01877	1.2
57.03450	1.7
58.00598	0.6
59.01379	100.0
60.01707	1.3
61.98830	3.7
69.03453	0.6
71.01385	21.1
71.04541	1.2
71.04995	1.1
72.99319	0.7
73.02956	5.7
75.00879	0.8
79.95757	0.7
83.01401	3.6
85.02962	11.5
86.00116	0.7
87.00894	1.4
88.04050	1.1
89.02452	4.7
95.01406	2.1
96.96014	4.6
97.02956	1.3
99.00886	2.9
101.02459	11.4
111.00880	0.8
113.02453	11.1
119.03516	1.0
121.10277	2.0
125.02498	1.2
131.03513	0.5
137.09773	0.6
138.71814	0.5
141.01994	0.5
143.03487	1.2
159.03011	1.1
161.04588	5.3
161.05907	0.7
185.15532	1.4
195.90022	0.5
268.12598	0.5
270.63162	0.5
271.02298	0.7
288.57629	0.5
299.02173	0.7
329.19904	1.4
343.28540	1.5
347.20895	3.0
417.71207	0.6
457.31723	0.6
459.27390	0.7
487.32761	54.5
488.33054	9.5
505.33844	19.3
506.34222	3.2
547.35107	5.9
548.35327	1.0
591.29449	1.4
592.21588	0.7
592.31055	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87571	1.0
54.29987	0.9
54.97377	0.9
57.03426	1.1
59.01376	16.6
61.98835	10.3
62.41958	0.9
68.99818	1.7
69.03458	4.8
70.75520	3.9
71.01391	6.0
73.02934	1.2
75.00880	3.0
78.95924	1.9
81.03475	1.2
83.01403	1.3
85.02962	19.5
95.01397	19.1
96.65569	1.2
96.99335	1.0
99.00877	2.3
101.02438	1.8
108.02187	97.2
109.02975	100.0
110.00148	1.3
110.03298	4.6
113.02455	4.4
121.03022	1.7
123.00891	16.3
123.04523	1.8
130.43361	1.1
133.03004	1.2
135.04539	1.8
137.99605	1.3
139.00439	2.3
151.04021	8.1
152.99638	1.2
153.01936	13.5
154.02705	2.5
161.04504	2.8
163.04007	1.7
167.03568	1.6
168.04247	4.9
169.05042	7.5
253.07188	1.1
271.08279	1.4
277.21732	60.7
278.21976	5.9
279.23453	5.2
321.73129	1.1
507.27182	3.4
531.29657	1.8
592.25391	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	590.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.7
59.01379	8.4
61.98829	68.3
70.64822	4.6
71.01387	11.1
72.99306	3.6
73.02937	1.6
75.00878	11.9
85.02956	14.3
87.00887	4.8
87.04533	1.2
89.02472	2.0
90.59870	1.3
95.01408	3.3
99.00895	6.2
113.02469	18.4
115.00362	1.5
135.71393	1.2
141.21800	1.1
152.99611	1.9
175.02544	2.1
249.06158	3.9
277.21719	35.3
278.21991	4.2
279.23300	1.6
505.25659	2.7
527.28601	100.0
528.28918	16.3
536.81940	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	591.2615
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
58.15122	0.2
61.98828	0.2
75.31134	0.2
98.19901	0.7
98.20591	0.5
106.06640	0.5
178.06743	0.2
312.99451	0.2
322.39514	0.2
396.17252	0.8
427.92941	0.2
429.21161	0.3
441.20972	0.3
443.23050	1.9
444.19278	0.4
444.23581	0.3
445.19565	1.8
446.20496	0.3
455.22348	0.6
456.23126	0.8
457.20480	0.4
458.21146	0.8
459.21613	2.0
460.22220	0.9
461.23761	0.3
462.20554	0.7
471.20755	0.8
471.25604	2.0
472.18414	0.3
472.23257	1.8
473.23743	1.3
482.20956	1.7
483.21716	0.3
484.18939	0.4
485.19769	2.2
486.19699	0.3
487.25485	3.2
488.23087	0.4
489.22876	0.5
496.22531	0.4
497.23459	3.4
498.23596	0.7
499.21414	3.4
500.22128	12.7
501.22559	2.2
503.20969	0.4
504.21320	0.4
513.22852	0.7
514.23877	1.2
515.24481	100.0
516.24792	19.4
518.23047	0.4
519.24091	0.8
559.23517	5.1
560.24365	1.1
591.25861	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.6
57.03443	3.1
58.00591	2.9
59.01379	100.0
60.01713	1.3
61.98839	0.3
69.03462	0.7
71.01387	61.1
71.05022	0.3
71.72999	0.5
72.01727	0.9
72.99322	3.0
73.02950	9.8
75.00893	0.8
79.95735	0.5
81.03461	0.3
83.01397	4.8
84.02167	0.5
85.02958	22.3
86.03299	0.5
87.00886	4.3
89.02452	38.5
90.02807	0.4
93.03452	0.3
95.01403	6.5
96.96024	8.8
97.02957	1.2
98.95609	1.2
99.00881	2.7
99.04519	0.5
99.30299	0.2
101.02457	30.9
102.02804	0.7
109.02970	0.5
109.06569	0.3
111.00883	0.8
112.01699	0.6
113.02464	44.0
114.02795	1.2
115.04009	0.3
116.92910	0.6
119.03520	16.3
120.01255	1.1
120.03827	0.5
123.04552	1.0
124.01651	1.4
125.02467	2.7
126.53456	0.3
129.01941	1.6
131.03520	2.4
137.09738	1.9
138.97113	0.5
143.03523	6.8
147.03014	0.4
149.02531	0.4
149.04590	1.4
149.09746	0.4
151.07703	0.3
152.01151	0.3
153.01881	0.4
153.09200	0.3
159.02969	1.0
161.04573	13.6
162.04874	0.4
164.85875	0.2
179.04124	0.5
179.05634	8.2
179.07188	0.6
180.05919	0.3
189.12878	1.1
191.01973	0.6
193.04994	0.5
203.05736	0.3
205.03491	0.3
207.13872	1.0
225.11279	0.4
225.15033	0.7
241.00279	0.8
369.19174	4.0
370.19495	0.4
387.20181	3.9
388.20486	0.6
411.20154	0.5
417.11856	0.4
429.13428	0.5
429.21194	0.3
467.22391	0.3
470.17545	0.5
480.23877	0.3
483.22379	0.5
495.22089	0.3
504.16397	0.4
531.24432	57.2
532.24750	9.7
549.25470	40.2
550.12366	0.3
550.25861	6.5
591.10815	0.5
591.18665	3.6
591.26740	11.1
592.18964	0.8
592.27228	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	590.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90589	0.5
54.07443	0.4
56.23296	0.5
57.03444	0.9
60.01701	0.5
61.06582	0.4
61.98847	0.6
63.93727	0.5
71.01386	2.9
71.02099	1.6
72.99324	0.6
73.02950	1.7
75.00895	0.6
79.95749	2.0
83.01394	0.7
85.02943	5.1
87.00855	0.7
89.02454	1.0
93.03437	0.6
96.96020	22.9
98.95603	1.2
99.00898	1.0
101.02446	1.7
105.03489	1.3
108.02238	0.8
109.02959	7.2
111.00896	0.5
113.02454	1.6
113.06030	0.5
115.00359	0.7
116.92885	0.8
120.01289	0.8
121.02965	2.7
123.04523	2.1
129.01953	1.2
131.05092	0.9
131.07149	1.3
135.00899	0.6
139.04001	0.7
145.02937	1.1
146.03729	0.8
147.04535	1.5
149.02496	1.6
153.01886	1.0
159.04518	1.6
161.02466	2.0
161.04597	0.6
162.03235	0.9
163.03958	0.5
165.05568	1.5
167.03560	0.6
173.08142	0.8
175.00429	2.3
175.03989	3.5
187.00381	1.3
189.01892	1.0
190.02721	1.4
191.02106	0.5
191.03522	9.8
193.05052	1.3
202.02682	3.0
203.03452	3.3
204.04099	0.7
211.04002	1.9
212.24184	0.5
217.01373	0.7
219.03062	3.2
225.15503	0.5
227.03584	1.9
231.02884	0.7
237.05571	0.6
239.03473	0.7
239.07185	0.7
240.04289	0.5
241.00229	3.3
241.05052	0.8
242.02290	1.2
243.02966	1.6
251.03592	0.5
253.04962	2.0
255.02936	2.9
256.03778	1.5
256.07449	0.5
265.04916	1.0
266.02206	0.8
267.06509	3.4
268.07150	1.0
269.04523	2.8
270.01672	1.6
271.02463	2.7
279.03015	3.1
280.03815	0.6
281.00867	0.5
282.01773	1.7
283.02502	11.8
283.06113	8.9
284.03079	2.7
284.06308	0.8
293.04434	3.3
294.05286	1.5
295.06134	5.9
296.03226	2.7
296.06284	0.8
297.04007	5.1
298.04391	0.9
301.03763	0.7
311.02155	1.3
311.05585	16.8
312.06091	3.0
325.03497	3.7
339.05347	0.7
340.05881	70.4
341.06519	26.1
342.07016	2.2
417.12131	1.6
435.31024	0.5
487.12436	100.0
488.12793	15.7
510.22971	0.9
519.11530	1.2
531.11407	42.2
532.11761	6.9
544.14862	0.6
589.25537	2.8
590.16064	8.5
590.25854	3.4
591.11823	1.3
591.18878	1.6
591.27386	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	589.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73110	0.5
55.01881	1.6
57.03445	2.5
59.01379	100.0
60.01725	1.6
61.98831	20.4
68.99825	0.6
69.03458	0.9
70.59690	1.4
70.60087	1.1
71.01385	18.7
71.01766	1.1
71.05032	1.1
72.99310	1.5
73.02950	5.8
75.00871	0.8
78.95913	0.5
79.95752	1.0
83.01384	4.9
83.05094	0.6
83.46099	0.5
85.02959	12.2
85.06603	1.1
86.00115	0.9
87.00909	2.5
89.02464	2.6
95.01414	1.8
95.95271	0.8
96.96031	9.3
97.02969	1.0
97.06620	2.3
99.00891	2.7
99.08154	0.6
99.16574	0.6
101.02455	13.7
101.03099	0.9
102.02814	0.7
109.03043	0.5
109.06673	0.8
111.00902	1.6
113.02467	10.4
119.03532	0.8
123.08212	0.5
125.02431	1.2
125.09678	0.5
128.03587	1.1
129.01900	0.7
133.21788	0.6
137.09727	0.6
143.03551	2.4
149.04605	1.2
155.43452	0.5
159.02975	1.5
161.04594	5.1
213.18726	0.9
225.18694	0.6
281.25067	0.7
293.16837	0.6
293.25018	1.1
305.21756	0.6
305.24966	2.3
311.25961	0.9
323.25806	0.7
340.25375	0.6
341.26956	3.4
342.27444	0.8
413.25763	1.6
449.29190	1.6
455.30334	1.1
457.26007	0.8
467.30182	8.1
468.30786	1.8
485.31183	32.6
486.31534	7.0
503.32239	28.4
504.32669	5.2
545.33655	3.1
546.34113	0.8
589.30121	5.7
590.30328	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.323
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.7
61.98819	1.1
70.22837	1.7
71.01380	0.5
72.99316	1.9
75.00876	100.0
76.01222	1.1
78.95910	1.2
89.02447	0.6
96.96011	0.6
98.19973	0.5
100.74436	0.4
101.02466	0.5
110.83057	0.3
113.02438	0.4
128.00716	0.4
274.97876	0.3
277.21826	1.2
333.72525	0.3
527.28375	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.323
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12370	0.2
53.50440	0.2
61.98830	0.7
65.61604	0.2
68.49394	0.2
71.01389	0.2
72.99306	1.8
75.00879	100.0
76.01227	1.3
78.79173	0.2
82.63184	0.2
83.11939	0.2
85.49400	0.2
85.63717	0.2
88.85531	0.2
97.43965	0.2
98.19827	0.4
99.06503	0.2
126.10987	0.2
152.92809	0.2
220.76050	0.2
277.21826	0.5
408.29938	0.2
527.28546	0.3
543.71436	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.0
57.03439	2.2
59.01376	100.0
60.01692	1.5
61.98828	7.7
66.50504	0.6
71.01385	18.0
71.01772	1.2
72.99308	0.9
73.02936	4.7
73.03275	0.5
75.00866	0.8
79.95755	0.9
83.01379	3.6
85.02953	11.0
87.00891	2.0
88.04082	0.9
89.02462	3.6
95.01412	1.5
95.95285	0.6
96.96026	5.2
97.06620	1.1
98.95592	0.9
99.00909	2.3
101.02459	9.7
111.00906	1.6
113.02455	10.3
125.02453	1.5
129.02010	1.0
135.04532	0.6
139.18275	0.6
143.03508	1.5
159.02965	0.9
161.04573	4.1
166.64310	0.6
254.25253	0.6
289.04657	0.6
294.73560	0.6
305.25037	0.8
323.25974	0.8
341.27084	2.0
343.12933	0.7
356.05475	0.7
376.19531	0.8
406.44882	0.7
413.25113	1.0
449.29269	1.2
456.75082	0.8
457.26022	1.0
467.30118	5.2
468.30435	0.7
485.31204	29.6
486.31479	5.3
503.32224	22.2
504.32822	4.5
545.33282	3.0
589.32239	3.5
590.30756	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	587.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91397	0.3
55.01879	0.4
57.03425	0.6
59.01379	12.5
60.01734	0.3
61.98574	0.3
61.98839	4.3
64.34686	0.3
66.88709	0.3
69.03454	0.4
71.01394	5.3
71.04999	0.5
71.73071	0.4
72.99327	0.5
73.02954	2.3
75.00877	0.9
79.95747	3.2
80.96532	1.8
83.01385	1.0
83.05039	0.4
85.02958	3.1
87.00881	0.9
88.04054	1.0
88.98824	0.6
89.02484	1.5
95.01362	0.5
95.95236	1.3
96.96024	66.0
97.03043	0.3
98.95646	1.5
98.96370	0.3
99.00858	0.5
101.02462	2.6
109.02975	0.4
111.00888	0.5
113.02460	2.6
115.00404	0.4
116.98279	0.3
119.03543	0.5
119.05054	0.8
120.01270	0.3
121.02998	0.7
123.04591	0.5
125.02467	0.9
129.01886	0.3
132.03044	0.6
134.03734	0.7
135.04538	0.8
137.02452	0.4
138.97095	7.9
143.03604	0.6
145.03038	0.5
149.04579	0.6
149.09689	0.3
150.03262	0.4
150.97112	0.5
151.00327	0.4
153.09242	0.3
161.04604	0.8
163.04086	0.4
165.05597	0.5
169.01436	1.1
175.02548	0.4
177.01936	0.5
179.03571	0.4
183.10277	1.4
198.99208	3.6
210.35918	0.3
221.08247	1.4
237.10112	0.4
241.00226	2.8
255.25607	0.4
259.01343	1.3
267.07184	0.5
340.44464	0.4
341.06851	0.6
359.27512	0.4
417.09766	0.5
421.24567	0.9
435.10986	1.2
455.23160	0.4
456.29877	0.7
483.29608	1.6
501.19580	0.6
501.30917	0.8
543.22894	0.4
566.86584	0.5
587.31171	100.0
588.31567	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	588.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.0
58.02990	0.6
59.01379	45.8
60.01714	0.9
61.98831	100.0
69.03484	0.4
71.01387	7.4
71.28819	0.4
71.73787	0.5
72.99322	0.9
73.02956	4.0
79.95741	0.7
81.03457	0.5
82.30746	0.4
83.01402	1.5
85.02958	3.2
87.00890	0.9
88.04052	0.8
89.02441	2.3
89.38216	0.4
95.01411	0.6
95.95256	0.8
96.96027	7.3
97.02993	0.5
99.00912	0.7
101.02457	5.6
102.05645	1.9
113.02462	4.0
114.83857	0.4
119.03526	1.5
128.03537	3.3
131.03513	0.4
132.03049	0.4
134.53027	0.4
143.03560	0.9
146.04614	0.6
149.04581	1.3
161.04559	2.2
179.05650	1.2
231.77243	0.4
241.00288	0.6
256.11700	0.5
313.80533	0.4
341.26959	0.4
439.26901	0.6
457.26025	0.6
467.30240	0.6
485.31180	5.3
503.32275	2.4
570.24475	0.9
588.32324	5.7
589.30725	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	589.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33758	1.6
53.08109	1.7
57.03441	26.6
59.01380	34.2
61.98824	3.4
69.40528	1.6
69.40847	18.3
71.01394	6.1
73.02963	2.6
74.02502	1.6
79.95733	2.2
81.57334	1.7
85.02948	17.7
89.02497	3.3
96.10098	1.5
96.96014	33.3
98.95609	5.5
99.04545	5.6
101.02493	1.8
109.06637	11.3
111.04532	8.2
113.02449	2.2
115.04087	1.6
117.05552	1.8
120.01241	2.5
121.02939	2.4
123.08198	3.5
135.08214	16.0
137.09734	12.6
138.06863	3.2
147.03030	2.2
149.09750	5.5
150.03291	3.0
153.09200	6.0
161.08200	12.3
163.11337	10.3
167.10802	8.4
177.09224	24.8
190.15634	1.7
191.02031	5.3
191.10745	5.3
193.12346	100.0
194.12624	8.0
203.09389	2.3
209.02998	3.4
211.13393	38.9
212.13721	4.3
217.12311	4.6
235.13385	26.0
236.13698	2.1
241.00266	2.4
253.14450	18.5
255.12080	1.9
287.06598	2.2
294.75983	1.5
297.13367	10.0
299.48001	1.6
571.51575	1.8
589.17865	11.9
590.19666	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	587.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.6
59.01377	5.0
61.98833	0.6
65.11216	0.3
67.31969	0.3
71.01379	4.0
71.49252	0.7
72.99308	0.5
73.02947	0.7
75.00881	0.4
79.95269	0.6
79.95737	7.6
80.96524	2.4
83.01398	0.7
85.02944	2.9
87.00887	1.0
89.02452	2.0
92.03802	0.3
95.01369	0.6
95.95244	8.8
96.96019	100.0
97.95953	0.5
98.95599	0.6
99.00896	0.4
101.02448	2.8
113.02483	1.8
119.03515	0.8
119.05073	0.3
120.01276	0.8
122.97590	1.2
129.01964	0.4
131.07162	0.3
135.04532	1.0
138.97089	6.2
150.03220	0.3
150.97046	1.7
151.97858	2.3
164.98624	0.9
165.05534	0.4
168.98138	0.9
175.29318	0.3
177.04071	0.5
180.98093	1.2
183.10255	0.5
191.01994	0.6
198.36328	0.3
198.99210	0.6
222.99178	1.8
239.99399	1.5
241.00224	28.0
242.00569	1.2
256.99734	0.5
259.01184	0.8
326.86026	0.3
345.15457	1.3
403.05527	11.4
404.05826	0.9
425.11176	13.8
425.16931	0.7
426.11520	1.3
443.19208	0.6
501.15726	0.5
543.16937	0.6
587.16479	66.8
588.16882	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	586.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00582	0.4
59.01378	43.4
60.01707	0.8
61.68327	0.3
61.98829	100.0
69.68620	1.9
71.01385	7.3
72.99313	0.6
73.02943	3.8
79.95745	0.8
81.03438	0.3
83.01388	1.8
85.02957	2.0
87.00883	0.5
89.02457	4.0
95.01394	0.4
96.96017	5.4
96.96977	0.4
101.02459	7.1
113.02454	4.2
119.03484	1.6
122.22735	0.3
131.03447	0.6
143.03488	0.8
149.04590	1.5
155.03355	0.3
161.04611	2.0
175.21637	0.3
179.05478	0.9
192.24184	0.3
203.05685	0.3
219.72270	0.3
221.06561	0.7
248.47910	0.3
376.25958	0.3
407.24039	0.4
419.24432	4.1
420.24271	0.4
437.25443	2.1
466.28879	0.4
479.26453	4.8
480.25925	0.8
586.29688	2.5
587.31226	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	587.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	2.4
59.01379	24.3
60.01688	0.5
61.98832	20.6
62.68430	0.5
63.20132	0.5
64.86989	0.6
67.01901	0.7
69.03445	2.7
69.38857	0.9
69.39256	6.3
71.01389	8.5
72.99325	0.9
73.02954	2.8
75.00907	1.4
77.13130	0.5
78.95921	0.5
79.95741	2.8
80.96549	1.6
81.03473	1.0
83.01403	2.2
85.02963	5.7
87.00898	1.9
87.04551	0.6
88.04057	1.2
88.98791	0.7
89.02457	2.7
89.03972	0.6
91.31503	0.6
93.03468	8.4
95.01421	2.1
95.05043	1.4
95.95271	1.0
96.96021	51.3
97.02991	1.7
98.19862	1.1
98.95638	1.3
99.00908	1.8
99.04559	0.7
101.02445	4.0
101.71744	0.5
107.01395	1.0
109.02966	13.7
109.03690	0.8
111.00935	1.0
113.02470	4.4
115.00410	0.7
117.03498	1.5
119.03516	1.3
119.05035	2.3
120.01270	0.9
121.02985	1.9
122.03674	0.6
122.06148	0.7
123.00905	4.1
123.04539	10.1
123.05383	0.9
124.01685	1.0
125.02464	50.5
126.02820	1.6
131.03528	0.7
132.03090	0.9
133.02975	4.4
134.03755	0.6
135.00969	0.6
135.02998	0.8
135.04541	0.9
135.39365	0.5
136.77594	0.5
137.02489	1.1
137.09802	0.9
138.97098	5.5
139.00365	0.5
140.01161	0.9
143.03558	0.6
145.02966	11.8
145.09904	1.1
147.04550	2.4
149.02493	1.9
149.04556	1.2
149.09776	0.8
150.03203	1.4
151.04051	6.0
153.01942	0.8
154.99925	1.3
155.10783	2.5
159.04501	0.8
161.02480	1.8
161.04604	1.1
161.06046	0.8
162.03145	0.9
163.04057	1.1
163.96881	0.5
165.05618	1.5
166.99870	4.1
169.01443	100.0
170.01797	4.5
175.03899	0.9
176.01202	0.7
177.01941	45.9
178.02309	2.0
179.05696	0.6
185.06056	0.8
187.03995	2.4
189.01944	35.9
190.02682	8.5
191.03513	9.1
193.01422	6.0
195.06589	0.7
198.97346	0.5
198.99194	3.0
199.09799	0.6
201.01920	3.9
201.05496	0.8
203.03499	4.6
204.03923	0.6
205.05090	0.9
216.00645	5.7
217.01407	31.3
218.01888	2.9
219.02986	11.5
227.03609	0.6
227.06993	0.7
229.05054	2.3
231.02989	10.2
232.03601	1.2
233.04337	1.3
241.00136	2.7
241.05042	2.3
243.06519	1.0
259.01181	0.7
259.06036	0.8
267.06924	1.0
269.04395	1.0
271.06113	10.5
275.05463	1.5
281.04504	1.4
283.06055	5.3
284.06580	0.6
289.07275	3.1
297.07632	1.4
300.02802	1.2
301.03528	0.9
305.04416	0.8
311.05576	6.4
312.06088	0.9
323.05618	21.8
324.05899	2.1
341.06665	61.1
342.07080	7.1
417.09775	15.3
418.10062	3.1
435.10834	89.4
436.11169	13.5
437.08545	0.9
461.08688	0.9
477.08264	5.7
483.29843	3.1
501.30353	1.0
503.89505	0.7
543.31653	1.0
586.29449	1.0
586.70941	0.6
587.11920	26.3
587.31061	62.8
588.12201	6.0
588.31744	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	585.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88519	0.3
55.01865	0.4
57.03451	1.1
59.01379	39.2
60.01713	0.6
60.99310	0.3
61.98833	9.6
62.07302	0.3
64.97498	0.3
69.03468	0.8
69.61863	2.7
71.01385	8.9
72.99312	0.8
73.02954	2.9
75.00867	0.6
78.95934	0.3
79.95738	3.9
80.96532	1.9
83.01396	1.4
85.02953	4.0
87.00890	1.2
88.98825	1.4
89.02455	4.2
92.19698	0.3
95.01386	0.9
95.05028	1.1
95.95239	1.6
96.96024	74.0
97.02948	0.5
97.81652	0.3
97.95949	0.3
98.19843	0.5
98.95609	0.6
99.00903	0.7
99.04443	0.3
101.02454	5.5
111.00880	0.3
113.02462	6.1
113.06103	0.7
115.00385	0.4
115.32898	0.3
116.92888	1.1
119.03517	2.1
119.05025	0.6
120.01246	0.4
122.97598	0.6
125.02469	0.5
129.01979	0.5
131.03540	0.6
138.97083	8.0
143.03490	0.8
147.02994	0.3
149.02451	0.4
149.04579	0.9
150.03224	0.3
150.97075	0.6
160.04076	0.4
161.04608	2.1
164.98604	0.4
167.74565	0.3
168.98119	0.5
171.10342	0.4
177.04114	0.5
179.05611	1.1
180.98090	0.5
187.89760	0.3
198.99203	4.9
206.64923	0.3
217.04831	0.3
241.00237	3.5
256.99701	0.9
259.01266	1.5
271.06143	0.5
301.03348	0.4
411.23880	0.4
455.19064	0.3
481.28091	4.0
482.28549	1.0
483.29919	0.5
499.22055	0.4
499.28964	2.3
505.30188	0.3
525.30963	1.1
555.28516	8.1
556.29010	1.1
585.29541	100.0
586.29919	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35670	0.2
53.01651	0.2
61.23618	0.2
61.98829	100.0
62.64424	0.2
71.73361	0.3
78.95921	0.8
152.99620	0.6
159.41202	0.2
190.68806	0.2
202.67476	0.2
222.93541	0.2
231.89684	0.2
269.24683	0.3
283.26324	1.5
284.26834	0.3
301.08240	0.2
350.57053	0.2
496.83676	0.2
508.34152	1.2
511.34772	0.4
585.29242	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.0
58.00581	0.5
58.77802	0.5
59.01378	9.7
59.21013	0.5
63.90670	0.5
71.01387	5.8
71.72201	0.9
72.99305	0.7
73.02943	0.7
77.62639	0.5
78.95905	1.0
79.95757	4.3
79.96169	0.7
80.96535	2.3
85.02953	5.4
89.02457	2.8
95.95255	4.3
96.96021	66.9
98.95623	0.9
99.00916	0.7
101.02472	3.8
103.00400	1.7
112.93754	3.5
113.02471	2.4
114.01938	0.5
119.03506	1.3
120.01268	84.2
121.01610	1.5
122.97631	0.5
125.06132	0.7
129.01912	0.6
130.08742	0.7
138.97118	3.2
153.09230	2.4
157.31735	0.6
161.08192	0.9
162.08514	0.6
163.04012	0.6
164.98671	0.9
165.05583	0.8
172.09879	0.9
177.04074	1.7
180.98070	0.6
191.01888	0.6
195.06638	0.9
198.99197	1.3
205.12369	0.6
222.99152	0.8
223.13324	0.6
241.00227	6.6
256.99725	2.2
259.01196	1.4
335.16898	0.5
403.05237	1.0
425.11551	0.6
465.14352	5.6
483.15387	1.2
499.13110	19.8
500.13351	3.4
501.16507	11.8
506.20645	19.5
507.20810	2.6
542.16510	2.1
543.17474	6.9
586.16345	100.0
587.16620	35.2
587.26282	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	585.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94907	0.3
57.03448	0.6
59.01379	17.0
60.01703	0.4
61.98835	3.0
68.36755	0.3
69.03462	0.3
70.75807	0.6
71.01387	5.3
72.99296	0.5
73.02956	1.9
75.00887	0.4
79.95749	3.1
80.96516	2.2
83.01386	0.8
83.05037	0.4
85.02959	2.4
87.00875	0.8
89.02448	2.4
95.01407	0.6
95.05062	0.4
95.95251	1.1
96.96022	72.8
97.84014	0.3
98.95610	1.4
98.96482	0.4
99.00898	0.5
99.04617	0.3
101.02460	2.9
106.51211	0.3
113.02458	3.8
113.06077	0.3
116.92879	0.5
119.03510	1.3
128.03516	0.4
131.03490	0.3
138.97089	9.3
143.03522	0.6
149.04602	0.4
149.09726	0.9
150.03146	0.4
150.97095	1.0
161.04631	0.8
164.98631	0.3
165.05609	0.3
167.03331	0.3
168.98137	0.6
179.05560	0.4
180.98039	0.3
198.99174	4.7
220.11974	0.3
222.87360	0.3
241.00223	3.7
256.99561	0.3
259.01236	2.4
481.28094	2.6
482.28711	0.5
499.28888	1.4
555.28516	9.7
556.28827	1.2
585.29510	100.0
586.29858	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.4
57.03445	1.0
59.01381	10.1
61.98832	4.7
69.03464	0.2
70.69884	0.2
70.86605	0.7
71.01379	3.8
71.05027	0.2
72.99316	0.7
73.02940	1.0
75.00885	0.8
79.95741	3.9
80.96529	1.9
83.01411	0.6
83.05007	0.2
85.02957	1.7
87.00896	0.8
88.98829	1.1
89.02456	0.4
95.01409	0.4
95.95230	1.7
96.96022	71.3
98.95606	1.3
98.96358	0.3
99.00879	0.7
101.02456	1.9
112.05498	0.2
113.02481	1.6
116.92925	0.6
119.05019	0.3
120.01267	0.3
122.97614	0.8
125.02484	0.3
137.09738	0.8
138.97087	3.3
150.97087	0.8
151.07684	0.3
161.04588	0.4
164.98640	0.6
165.05586	0.4
168.98160	0.3
177.03946	0.3
180.98204	0.7
198.99271	1.4
222.99191	0.3
225.00632	0.3
241.00240	4.1
242.00774	0.3
242.99991	0.3
249.06203	0.7
255.06631	0.6
256.06961	0.3
256.99789	0.5
259.01233	0.4
267.07205	0.6
335.22272	0.7
336.22531	0.2
499.07944	0.4
505.29959	0.5
541.08795	0.7
555.28473	8.6
556.28564	1.4
585.29517	100.0
586.29883	19.0
588.15375	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13260	0.7
55.01883	1.3
57.03443	7.2
57.73529	0.8
59.01376	16.8
61.98821	1.8
64.18646	1.0
69.03474	0.8
69.40411	7.5
69.40824	1.9
71.01392	4.2
72.99330	1.0
73.02954	1.8
75.00888	1.4
78.95881	0.8
79.95747	1.9
80.96504	1.6
83.01400	2.0
84.02164	2.2
85.02958	78.5
86.03306	2.1
87.00905	1.0
89.02453	3.3
95.95214	0.9
96.96020	35.5
98.19795	1.3
98.95618	1.4
99.04574	0.9
101.02458	1.7
103.00381	3.5
109.13673	0.8
112.85110	0.7
113.02480	2.0
115.03998	1.0
117.03518	4.4
119.03609	0.8
119.05042	2.2
120.01282	1.1
123.04541	1.0
125.60690	0.8
126.85504	0.8
129.01955	2.4
135.10301	0.7
145.02971	19.1
147.03015	13.0
161.08203	11.7
163.04022	1.7
164.98608	2.4
165.05681	1.0
191.01984	100.0
192.02332	3.2
194.91545	1.0
195.06726	1.1
203.09285	2.4
223.44801	0.8
238.52997	0.8
241.00243	3.0
242.00604	1.0
250.36070	0.8
259.01324	2.2
293.06686	3.9
310.56232	0.8
337.05588	5.2
419.19379	1.2
437.61856	0.9
499.14606	6.5
541.15936	9.4
542.16199	1.7
585.14532	21.4
586.14484	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	585.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.5
59.01378	13.9
61.98831	18.5
64.39281	0.4
69.03448	0.6
70.04333	1.0
70.04752	1.5
71.01382	2.5
72.99302	0.6
73.02962	1.3
79.95757	1.0
83.01395	0.4
85.02953	1.4
88.98856	0.5
89.02467	1.1
93.03471	4.3
95.01437	0.7
95.05048	0.7
96.96022	10.0
98.20175	0.7
101.02476	1.2
108.02157	0.4
109.02981	0.5
113.02488	2.0
116.92879	0.4
119.03543	0.7
121.02961	5.3
122.03755	13.2
123.04629	0.8
132.02158	0.5
133.02983	1.3
134.03722	0.5
135.04549	1.1
136.01697	1.5
148.01646	0.6
149.02460	34.6
150.03247	96.1
151.03574	4.8
153.05641	0.9
160.01663	0.7
161.04616	0.9
164.04819	8.7
164.88011	0.4
165.05585	100.0
166.05910	5.6
177.01985	0.4
179.07161	1.2
180.04294	6.6
195.06641	69.3
196.06992	3.4
200.99759	0.4
235.00572	0.4
241.00305	0.8
242.09586	0.8
253.08922	0.6
257.11874	0.5
258.08856	0.5
270.08936	1.8
283.09738	1.6
285.11221	1.8
286.08423	0.5
297.07672	0.6
297.11176	0.7
298.08337	1.0
299.09277	1.5
299.12854	1.2
309.07678	0.5
310.08487	0.5
311.09225	1.1
313.10822	1.1
314.07950	1.7
324.09894	0.4
325.10712	1.3
326.08096	0.7
326.11530	1.0
327.12305	4.2
328.09348	0.9
328.13089	8.2
329.10229	5.8
329.13599	0.8
330.10782	1.3
341.10333	7.4
342.10593	0.7
343.15689	2.5
344.12631	8.3
345.13177	1.4
356.12585	3.0
357.13193	1.0
359.15005	20.2
360.15347	2.0
371.14984	17.3
372.15219	2.1
373.26038	1.0
461.15927	1.3
463.17664	0.6
483.29666	1.2
492.17557	1.7
493.18146	0.5
507.20200	7.0
508.20615	1.3
519.20032	1.2
525.30780	1.3
537.21265	48.9
538.21588	9.0
567.22534	0.4
585.15680	0.7
585.23151	6.7
586.23639	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	583.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	0.4
59.60277	0.1
60.99329	0.1
61.98830	100.0
62.98543	0.1
69.66808	0.6
78.95911	0.6
88.00407	0.2
88.98815	0.8
89.02439	0.1
152.99625	0.4
218.14304	0.1
238.92442	0.1
268.23853	0.1
277.21857	0.2
281.24847	2.3
281.27878	0.1
282.25229	1.0
283.25482	0.7
284.25882	0.2
291.48846	0.1
362.42087	0.1
482.26187	0.1
506.32471	0.8
507.33026	0.2
508.33337	0.3
509.33295	0.4
583.18884	0.2
583.33466	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01716	0.8
61.98831	28.5
62.37059	0.3
69.43475	4.2
70.14000	0.5
71.01403	0.7
75.45936	0.4
78.95901	7.0
87.08410	0.4
99.92638	0.5
115.92098	1.4
116.92879	1.5
118.16571	0.4
118.92677	0.4
149.72519	0.4
152.99577	3.1
171.00732	0.8
179.89276	1.1
180.90034	1.3
182.89836	0.7
196.89447	2.1
197.89572	0.7
198.89365	0.5
235.98560	0.4
236.92477	0.6
245.04362	1.0
253.21698	0.5
255.23438	0.5
277.21722	8.2
278.22015	0.8
281.24826	0.5
291.23370	1.2
298.10516	0.5
312.96304	0.4
383.15158	0.5
482.26273	1.4
565.18036	0.6
583.19330	5.8
584.19598	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.3
59.01379	3.4
61.98830	100.0
62.98540	0.3
63.99268	0.1
69.03466	0.3
71.01382	1.3
71.73977	0.2
72.99320	0.3
73.02953	0.5
74.02478	0.1
75.00877	0.3
78.95905	0.2
79.95741	0.8
80.96519	0.2
83.01398	0.2
83.05027	0.2
85.02963	1.1
87.00867	0.5
88.98842	0.2
89.02444	0.6
93.03498	0.2
95.01411	0.2
95.95254	0.3
96.96021	8.0
98.95604	0.2
99.00891	0.2
101.02472	0.7
103.00396	0.2
111.00919	0.2
113.02471	0.6
115.00370	0.1
115.92075	0.1
116.92890	0.3
119.03550	0.1
119.05035	0.2
119.10098	0.1
120.01291	0.2
121.02946	0.1
123.04575	0.1
125.02462	0.1
125.06103	0.1
128.03574	0.2
129.01990	0.2
137.02611	0.1
138.97113	0.2
149.04584	0.1
150.03229	0.2
150.97124	0.1
151.00481	0.1
153.05569	0.1
160.04140	0.2
161.04582	0.3
165.05576	0.2
167.98555	0.1
171.10303	0.3
171.51677	0.1
177.04118	0.4
197.67279	0.1
215.09279	0.5
216.09782	0.2
241.00189	0.5
249.06262	0.1
256.99820	0.3
269.95370	0.1
301.03604	0.1
311.71808	0.1
326.04404	0.1
327.05240	0.2
365.09979	0.1
373.26141	0.3
378.14767	0.2
447.09549	0.2
448.09732	0.1
481.28433	0.2
497.20694	0.4
498.20822	0.2
504.27435	0.1
523.34595	0.2
524.35193	0.3
527.21771	0.9
540.18195	0.1
546.22876	0.1
584.20557	0.6
584.28900	0.5
585.25934	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	583.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39944	0.3
55.39561	0.3
59.01379	100.0
60.01719	1.2
60.03512	0.4
61.98832	8.8
71.01389	3.6
71.32339	0.3
71.73124	0.6
72.99334	0.5
73.02946	3.2
75.00896	0.5
75.96165	0.3
76.95382	0.3
79.95735	0.7
83.01392	1.5
85.02967	1.4
87.00880	0.7
88.04047	0.8
89.02464	1.1
96.96024	8.6
96.96965	0.3
98.95608	0.5
101.02452	4.2
113.02452	2.2
119.03531	0.9
131.03548	0.5
138.97121	0.7
143.03546	0.3
149.04630	0.6
161.04608	1.3
162.69185	0.3
179.89638	0.3
201.07916	0.4
209.11838	0.8
241.00267	0.7
309.20792	0.5
327.25415	0.6
539.28638	1.3
581.99847	0.4
583.19147	0.8
583.27954	10.4
584.28015	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31326	0.2
55.01841	0.2
57.03442	0.8
59.01377	3.6
61.98833	2.7
69.30059	0.2
69.85728	0.8
69.86160	0.7
71.01369	1.6
72.99294	0.5
73.02951	0.3
79.95744	3.7
80.96522	2.4
83.01408	0.4
85.02496	0.2
85.02935	1.2
86.34204	0.2
87.00890	0.7
89.02456	0.5
89.16585	0.2
95.95259	1.1
96.96021	70.4
99.04521	0.6
101.02460	1.2
113.02473	0.7
121.02959	0.3
122.97604	0.7
125.02448	0.3
135.04614	0.4
138.97087	9.0
143.03532	0.3
149.02429	0.7
150.03273	1.8
150.97102	0.9
151.04010	0.5
152.98535	0.2
161.04564	0.4
163.04045	0.3
164.04791	0.2
164.98734	0.3
165.05568	2.4
165.69838	0.2
165.98624	0.2
166.96596	0.3
168.98145	0.7
177.04050	0.5
180.98177	0.3
181.05038	0.2
183.90846	0.2
195.06621	1.3
197.06053	0.3
198.99194	5.3
215.09143	0.2
241.00249	3.7
256.99673	0.5
259.01321	2.4
276.81088	0.2
306.07776	0.3
356.13129	0.2
357.13428	0.3
373.13620	0.2
383.13672	0.4
385.04471	2.2
387.14484	0.5
388.14975	0.2
390.83286	0.2
410.77881	0.2
466.00516	0.2
535.19788	0.9
553.26825	9.0
554.27460	2.0
583.27966	100.0
584.28308	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.0766
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37804	0.2
54.98986	0.2
55.01885	0.3
57.03423	0.4
59.01377	11.4
61.98830	4.7
63.02396	0.5
65.00334	0.7
69.03456	0.3
69.86227	1.1
69.86634	0.4
71.01380	2.2
72.99296	0.3
73.02946	0.9
73.24108	0.2
75.00872	0.5
79.95739	3.6
80.96526	1.1
83.01396	1.4
85.02953	1.0
87.00883	0.7
89.02463	0.4
95.95243	0.6
96.87967	0.2
96.96019	100.0
97.95972	0.6
98.19980	0.4
99.00911	0.4
99.04517	0.4
101.02428	1.4
103.00387	4.8
107.01409	1.2
113.02445	1.2
122.97598	0.5
125.02460	0.4
134.97604	2.2
138.97101	1.8
143.03545	0.3
145.06618	0.9
150.97098	0.8
151.00385	2.3
152.98634	4.0
164.01180	0.6
164.98698	0.4
166.96518	0.4
169.06581	0.5
170.65364	0.3
171.04492	0.7
177.08565	0.2
180.98207	1.1
187.07632	0.8
194.99689	1.0
198.99164	0.3
211.07622	0.7
213.05571	2.6
222.99191	1.1
234.51465	0.2
241.00223	41.1
242.00531	1.8
255.06599	37.7
256.07001	4.0
256.99863	0.3
259.01630	0.3
276.83768	0.2
283.01266	17.9
284.01526	1.2
297.07672	0.5
308.99161	0.3
312.36014	0.2
327.00214	3.7
327.08765	0.4
423.72842	0.2
497.07538	17.6
498.07846	2.5
539.08582	21.4
540.08807	3.5
553.26489	0.7
565.06598	0.9
583.07715	22.0
583.18207	1.0
583.27618	11.9
584.07898	4.3
584.17847	0.4
584.27734	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	583.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	7.4
61.98841	5.0
70.11014	1.1
70.80824	3.8
71.01386	2.9
73.94107	1.0
78.95908	89.8
79.95712	1.5
80.96527	9.5
82.96119	3.9
94.98104	2.5
96.96043	2.6
96.96994	5.3
96.97610	1.2
98.95599	1.2
99.92593	8.4
100.93385	1.8
109.22467	1.1
115.92086	39.2
116.92119	1.7
116.92874	26.8
116.93715	1.6
117.92926	2.0
118.68494	1.1
120.97000	1.2
125.54144	1.0
142.94370	1.7
150.98039	5.1
152.99605	36.8
153.00818	2.3
155.95216	1.2
164.90569	1.7
164.98630	1.9
171.00652	5.9
172.95517	6.2
178.88445	2.4
179.89243	27.6
180.90057	21.9
181.90831	2.3
188.90602	1.2
194.87964	1.7
196.89502	56.3
197.89543	3.0
204.90025	1.8
205.90779	2.9
206.91576	1.9
208.89563	2.3
212.89140	1.4
219.92343	1.3
221.90280	1.3
225.00780	2.2
234.91003	2.5
235.91896	8.8
236.92610	20.8
237.92853	1.5
252.92136	3.2
255.23277	24.0
265.13202	1.0
270.93268	1.6
277.21771	8.8
278.93628	1.9
309.95468	1.5
409.24380	1.3
410.36432	1.1
435.12384	1.4
475.15567	6.6
476.15942	1.6
481.38248	1.1
483.27271	12.7
492.15588	6.2
535.17371	5.3
547.17841	4.8
579.81567	1.1
582.30676	8.3
583.20026	100.0
583.30188	18.9
584.20264	23.3
584.29419	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	581.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01556	0.1
50.24055	0.1
59.01385	0.3
61.01805	0.1
61.98830	100.0
62.98544	0.2
62.99250	0.1
71.01366	0.1
71.41570	0.1
78.95923	0.4
79.95704	0.1
80.96528	0.3
81.95320	0.1
82.96097	0.7
82.96950	0.1
83.28194	0.1
84.96015	0.1
84.96498	0.1
89.66208	0.1
96.96055	0.1
96.97676	0.1
101.97291	0.1
152.99622	0.4
175.79611	0.1
242.24294	0.1
270.05621	0.1
279.23291	2.1
279.26401	0.1
280.23602	1.1
281.23987	0.7
282.24277	0.3
433.23987	0.1
504.30762	0.8
505.31445	0.2
506.31839	0.1
507.31799	0.5
556.60742	0.1
581.26733	1.7
582.26971	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	581.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	59.1
61.98832	30.9
69.72076	3.0
71.01383	13.6
71.73314	4.3
73.02950	4.7
79.95749	5.0
79.98189	2.9
85.02959	7.1
89.02457	6.5
95.95216	3.1
96.96024	98.9
98.95603	3.4
101.02465	11.1
110.78562	2.8
113.02456	6.4
125.77675	3.5
138.97136	3.4
188.52629	3.2
209.11906	3.9
211.13409	4.5
241.00288	6.1
253.09395	9.4
291.19629	13.4
309.20679	45.6
310.20917	5.1
313.11871	5.4
342.66074	3.3
350.41544	3.1
397.39551	3.5
522.44629	3.3
545.29547	43.2
546.29633	8.9
551.25208	10.1
566.62354	3.5
581.26489	100.0
582.26862	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01094	0.3
59.01381	6.2
60.08711	0.2
61.98851	0.3
63.96251	1.1
68.97215	0.2
69.03443	0.7
69.59412	0.7
69.59828	1.2
71.01387	7.1
72.99305	0.2
73.02942	1.9
78.95907	4.4
78.98592	5.6
79.95738	9.2
80.96520	63.2
81.03474	0.7
85.02952	2.8
87.00877	2.3
94.98094	15.0
95.01408	0.4
96.96014	1.1
97.02946	1.6
99.00887	0.7
101.02448	2.7
106.98099	2.7
113.02441	0.3
122.97594	5.2
122.98491	0.4
125.02460	3.3
127.04007	1.0
128.93279	0.2
134.97607	4.9
136.99133	1.3
148.99158	6.0
152.98628	7.5
152.99580	0.5
153.98926	0.3
163.10947	0.2
164.98639	10.8
165.99062	0.2
167.00192	0.6
168.04333	0.7
174.47063	0.3
176.98691	0.2
182.99710	2.3
188.98682	0.5
206.99707	3.3
224.06992	1.5
225.00749	19.6
226.01022	0.6
243.01805	2.1
281.24866	3.2
282.25449	0.4
283.26419	24.2
299.04361	2.8
300.04785	0.3
359.51617	0.2
462.51044	0.3
508.34052	19.5
581.30011	100.0
582.30359	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	581.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.4
60.08263	0.1
61.98831	100.0
63.28283	0.1
70.88688	0.2
70.89031	0.1
78.95910	0.7
82.96152	0.2
83.19548	0.1
88.98856	0.1
90.05460	0.1
96.96070	0.1
97.01935	0.1
98.19898	0.1
152.99602	0.5
279.23318	1.8
280.23669	0.6
281.23877	0.5
282.24161	0.2
433.23846	0.1
504.30865	1.3
505.31494	0.3
506.31339	0.2
507.31778	0.4
581.28088	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2284
Annotation	Alangilignoside C
Peak:m/z	Relative Intensity
55.01885	2.1
57.03449	3.2
58.00589	1.9
59.01381	39.2
59.81600	0.7
61.98832	1.0
68.99834	1.0
69.03438	1.2
69.38699	8.8
71.01391	23.1
72.99306	3.9
73.02953	5.1
74.02466	1.3
75.00875	5.8
79.95746	0.8
81.03455	0.8
83.01395	4.6
85.02962	16.8
86.00119	0.9
87.00866	4.4
89.02468	11.0
93.03449	1.1
95.01414	3.5
95.95243	1.2
96.96018	10.8
97.02995	0.9
99.00896	6.4
101.02460	12.6
103.00391	1.5
109.02976	1.1
111.00882	1.1
113.02463	11.9
115.04045	1.6
119.03536	4.6
121.02978	1.1
122.03766	0.7
123.00903	5.6
123.04619	0.8
124.01710	1.2
125.02478	1.2
129.01984	2.4
137.02463	1.7
137.09753	3.9
138.03250	12.6
139.04062	9.4
143.03525	1.8
149.02477	3.5
150.03236	8.1
153.05577	11.3
155.10803	37.4
156.11224	1.4
161.04578	1.4
162.81410	0.8
164.04851	0.9
165.01955	1.4
165.05577	10.6
175.00365	1.9
175.02541	1.0
175.04028	0.9
179.05618	1.0
180.04413	0.9
181.08685	0.9
187.04042	3.3
189.05571	1.2
190.02756	3.8
191.02036	1.9
195.06650	3.2
198.08653	0.8
199.09795	8.8
202.06325	3.4
203.07178	2.9
205.05124	4.1
209.02953	1.8
221.08250	1.1
223.06183	1.2
225.74586	0.8
227.12927	3.0
231.05064	1.2
233.08197	7.7
241.00258	1.6
245.09250	1.5
246.09703	1.7
247.09975	0.9
249.06183	6.0
273.13525	2.7
282.01962	0.9
287.14987	3.8
297.07822	1.0
313.07236	2.4
326.07755	0.9
327.08789	1.8
340.09589	1.6
341.10474	1.9
343.11877	1.5
344.09143	2.3
355.11975	2.9
357.13367	1.4
358.10666	3.4
359.11301	6.7
359.15234	1.2
360.11420	0.9
360.15549	0.9
367.10349	6.4
371.11298	4.5
372.11774	1.2
373.12933	9.4
374.13434	1.4
386.13724	2.5
387.09341	1.3
389.12418	3.5
401.15967	3.9
404.14999	5.4
405.15732	2.3
419.17084	23.2
420.17575	3.4
449.16583	39.8
450.16718	4.8
473.18451	2.6
491.17575	1.0
495.19391	1.9
521.20447	2.7
533.20142	1.1
566.20276	3.0
581.22229	100.0
582.22638	18.1
602.42798	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.9
57.03447	3.1
58.00584	1.6
59.01378	26.2
60.01699	0.3
61.98833	1.5
62.75971	0.3
67.01896	0.9
68.99822	1.6
69.03449	1.9
71.01385	27.2
72.01714	0.5
72.99317	5.6
73.02947	2.5
75.00880	12.9
79.95769	0.7
80.98266	0.4
81.03453	0.5
83.01392	1.4
83.05029	0.3
84.02199	0.5
85.02958	23.2
86.03297	1.0
87.00883	5.7
87.82776	0.3
89.02450	14.3
91.04006	0.7
92.05052	0.4
93.03465	1.0
95.01408	4.2
96.96020	4.3
97.02992	0.4
99.00893	7.3
101.02448	1.9
103.00368	2.3
103.04076	0.4
107.08678	0.3
109.02953	1.1
111.00906	1.3
111.04530	1.2
113.02462	18.8
114.02790	0.6
115.00374	1.5
117.01955	2.2
119.04960	0.3
119.08678	7.0
120.01258	0.8
129.01942	1.9
130.08749	0.3
131.03506	1.4
134.03741	0.4
135.04556	0.6
136.04033	0.6
137.09695	0.4
147.02985	0.3
149.04587	1.0
150.03258	0.7
151.04013	0.6
155.10817	0.6
157.01454	0.7
163.07668	2.2
165.05600	0.8
165.09242	1.3
169.11884	0.3
175.02502	2.1
178.41809	0.3
181.08713	0.7
183.10263	0.4
189.04056	0.8
191.01987	1.4
193.05078	0.4
199.09729	0.5
205.07373	0.4
207.05016	0.5
209.03000	1.0
211.03421	0.6
223.08212	0.4
231.05101	2.4
241.00310	0.4
249.06142	27.5
250.06503	1.1
267.07208	10.6
268.07782	0.6
313.12958	1.5
331.14026	0.3
386.11008	2.0
388.11722	0.4
389.11588	0.4
413.14713	0.6
415.16028	0.9
431.15506	1.2
438.60849	0.3
449.16782	0.5
545.18622	0.3
551.19733	7.4
552.19940	1.2
563.19849	33.1
564.20215	4.3
581.20892	100.0
582.21210	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15854	0.5
54.46798	0.6
55.01881	1.9
57.03452	2.6
57.28753	0.6
58.00596	1.7
59.01380	33.2
60.01686	0.6
61.98825	1.2
62.13037	0.6
68.99841	0.6
69.03468	1.0
71.01384	22.5
71.05019	0.8
71.73435	1.2
72.01746	0.6
72.99320	4.1
73.02957	4.1
74.02472	1.8
75.00874	4.8
79.95741	1.6
83.01413	4.0
83.05048	0.6
85.02962	17.0
86.00085	0.7
86.03340	0.9
87.00888	4.4
89.02449	11.8
93.03483	0.9
93.28185	0.6
95.01402	3.4
96.22244	0.6
96.96019	10.3
97.02975	0.8
98.37918	0.7
99.00908	4.9
101.02454	11.8
103.00365	0.7
109.02958	0.7
111.00896	1.3
113.02466	13.7
114.35799	0.7
115.00372	1.5
115.03993	1.2
117.01946	1.4
118.14111	0.6
119.03545	4.5
120.01320	0.9
121.02971	0.8
122.03816	0.9
123.00920	6.2
124.01645	1.5
125.02473	1.0
129.01944	1.8
131.03592	0.9
137.02498	1.3
137.09756	2.5
138.03242	12.3
139.04033	9.3
143.03519	1.8
149.02469	2.2
150.03235	7.7
151.03780	0.7
153.05591	10.0
155.10796	33.4
156.11113	1.7
161.04547	1.0
164.04831	1.4
165.01949	2.0
165.05614	8.9
175.00334	1.4
175.03996	0.9
179.05489	1.0
181.08784	1.2
187.04057	2.1
188.04787	1.5
189.05530	1.7
190.02771	3.8
191.02013	0.9
192.04219	0.7
195.06654	2.3
199.09772	9.2
202.06374	2.3
203.07141	2.1
204.08740	0.8
205.05174	3.8
206.05771	1.0
209.03014	1.2
219.06654	0.9
220.07658	0.8
221.08127	1.8
223.06107	1.0
227.12930	2.7
233.08180	7.6
236.35645	0.6
245.09265	2.3
246.09619	2.5
247.09799	1.9
249.06099	5.3
269.13980	1.3
273.13455	3.3
287.15060	4.1
301.07108	0.7
312.06219	0.6
313.07294	1.8
326.07941	1.1
327.08829	2.3
340.09528	1.7
341.10294	2.2
343.08148	1.2
343.12036	1.4
344.09055	1.7
355.12000	2.4
356.08932	1.5
358.10645	4.4
359.11264	7.3
359.14996	0.7
360.11731	0.9
367.10431	5.0
368.10483	0.8
371.11319	6.0
372.11871	1.3
373.12949	9.8
374.13336	1.8
386.13895	1.3
387.09363	2.4
389.12378	3.7
390.12866	0.9
401.15945	3.6
404.14774	6.6
405.15298	3.5
419.17099	20.8
420.17471	4.1
449.16522	40.3
450.16980	4.9
473.18246	2.7
491.19421	1.2
495.19299	1.4
521.20441	2.5
533.20575	1.1
566.20325	4.1
567.20746	1.1
581.22211	100.0
582.22638	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71382	0.9
52.92496	0.9
55.01870	1.5
57.03431	3.7
58.14221	1.0
59.01098	1.4
59.01379	24.8
65.82096	0.8
68.99798	1.3
69.03469	1.3
70.01075	5.6
71.01387	19.5
71.42647	1.0
72.99312	6.2
73.02945	6.0
74.61129	0.9
75.00884	11.1
79.95735	1.6
83.01388	2.2
84.17706	0.8
85.02953	20.2
87.00896	5.2
89.02435	4.8
95.01414	4.8
96.96024	12.3
98.19949	1.3
99.00898	9.7
101.02427	4.0
103.00351	1.6
111.00890	1.7
111.04417	1.0
113.01719	1.0
113.02464	15.8
115.00351	2.6
117.01927	1.4
119.03543	1.2
120.01142	0.9
121.03012	1.1
122.03728	2.4
129.01938	2.0
137.09761	7.6
149.02480	5.3
149.06033	1.0
150.03249	11.6
155.10796	88.6
156.11089	4.5
161.02484	1.4
161.04567	1.1
162.03192	2.3
164.04755	1.3
165.05579	14.7
172.05345	1.5
176.63187	0.9
177.05524	2.8
181.08698	2.9
187.07614	2.2
190.02669	1.9
191.01974	1.2
195.06670	4.9
199.09778	21.5
200.10120	1.2
205.05109	2.0
210.85101	1.2
227.12813	3.6
231.05025	1.6
241.00203	2.1
249.06160	13.7
269.13852	1.2
273.13394	7.4
287.14938	3.1
325.12973	1.3
329.13947	1.8
341.13861	1.2
359.15015	6.6
367.10236	1.6
389.16312	1.2
405.17728	1.2
431.15204	1.7
449.16589	100.0
450.16962	9.2
468.64893	0.9
473.18118	7.2
491.18881	1.5
495.19431	1.2
521.20135	6.6
533.20087	2.9
581.20752	61.9
582.20972	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	580.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.2
61.98830	100.0
62.98528	0.2
69.46816	0.2
69.47226	0.9
71.01394	0.2
73.02951	0.2
78.95929	0.4
78.98601	0.3
79.95735	0.5
80.96519	3.4
80.97009	0.2
81.03439	0.1
85.03009	0.1
87.00890	0.2
88.98827	0.2
89.02425	0.1
91.04033	0.1
94.98107	0.9
96.96019	0.3
98.20648	0.2
99.92639	0.1
101.02489	0.2
106.98117	0.1
107.04382	0.1
111.66849	0.1
115.92089	0.1
116.06033	0.1
116.92918	0.1
122.97620	0.4
125.02463	0.2
134.97581	0.2
148.99095	0.5
152.98680	0.4
164.98604	0.7
179.89249	0.2
180.90051	0.1
182.99727	0.2
196.89583	0.2
206.99739	0.2
225.00757	1.0
240.09062	0.1
243.01825	0.2
255.23352	0.2
281.24918	0.2
299.04587	0.2
337.25757	0.1
483.27356	0.1
580.26935	0.1
581.20337	0.3
581.29980	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	581.183
Annotation	Crinemodin-rhodoptilometrin bianthrone
Peak:m/z	Relative Intensity
56.78456	0.5
59.01372	1.9
61.98813	1.6
62.96406	0.8
71.01383	2.1
71.73038	0.7
74.27029	0.6
74.68972	0.5
78.95908	100.0
87.00846	0.6
89.02455	1.3
96.96024	3.3
96.96968	5.1
98.95621	0.6
99.92586	11.5
100.92662	1.2
100.93397	1.5
108.22209	0.5
115.92091	40.6
116.92131	2.5
116.92870	34.3
116.94083	0.6
117.92883	1.8
120.96963	1.3
138.98001	1.3
142.94460	1.1
150.98036	4.6
152.99611	31.4
155.95186	1.2
156.96017	0.9
162.88914	0.6
163.89746	1.7
164.90506	2.2
170.99213	1.1
171.00650	15.4
171.94832	0.7
172.95497	6.5
177.91313	0.6
178.88440	3.7
178.92055	0.8
179.89226	42.8
180.90047	29.2
181.90968	4.1
189.91283	1.1
193.91026	0.5
194.87920	2.2
195.00699	0.8
196.89500	60.8
197.89516	4.0
201.82462	0.6
204.90009	1.3
205.90784	5.6
206.91577	3.7
208.89502	2.5
212.89072	0.7
213.01758	0.5
217.90752	0.7
218.91577	0.9
219.92328	1.5
221.90268	3.4
223.20502	0.7
225.22304	0.9
234.91145	2.6
235.91832	12.8
236.92615	29.7
237.92764	2.9
243.81674	0.6
245.04349	3.9
252.92131	4.3
253.21696	2.2
253.92902	1.4
255.23276	1.4
256.23508	0.7
270.93140	2.2
276.95798	2.8
278.93695	4.8
281.24838	1.6
282.25220	0.7
292.95166	2.8
293.95621	0.6
308.94666	1.4
309.95563	1.6
310.96271	8.3
326.95615	0.9
331.16949	0.7
332.79666	0.5
407.21997	0.9
409.17026	1.2
420.53857	0.6
472.13242	0.7
473.14020	7.1
474.13962	0.9
481.25800	4.6
489.13669	0.7
490.14343	6.3
491.14609	0.9
506.32065	0.7
507.32690	0.9
515.15118	0.9
533.16028	4.8
534.16296	1.5
545.16119	5.7
546.16162	1.5
563.17200	8.6
564.17487	2.0
581.18268	97.1
582.09399	1.2
582.18518	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	580.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53302	0.1
59.01366	0.2
61.98831	100.0
62.98530	0.2
62.99272	0.1
68.05698	0.1
70.92325	0.2
70.92660	0.1
78.95909	0.2
79.41154	0.1
79.95760	0.1
80.96516	0.8
94.98106	0.2
96.96014	0.1
115.92157	0.1
120.21992	0.1
148.99294	0.1
164.98648	0.1
225.00850	0.3
259.71860	0.1
581.30066	1.7
584.69244	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	580.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	19.1
61.98833	5.6
63.78189	0.3
70.62622	0.4
71.06639	1.2
78.95909	28.8
79.95737	1.0
80.96515	5.5
94.98077	1.2
96.96015	1.7
96.96970	1.0
99.92600	1.3
115.92110	3.7
116.92870	3.0
122.97632	0.4
122.98502	0.5
123.59418	0.4
127.25103	0.4
152.98518	0.7
152.99611	6.3
164.98627	0.6
168.04329	2.9
171.00603	2.1
172.95471	0.6
179.89223	4.2
180.89955	3.2
185.15735	0.4
194.05917	0.4
194.88023	0.4
196.89505	5.6
205.90582	0.4
221.90204	0.5
224.06920	8.4
225.00702	0.6
235.91876	1.1
236.92628	3.2
242.08051	2.0
257.72748	0.5
276.96069	0.5
281.24847	100.0
282.25180	10.3
310.96179	0.9
473.14026	0.8
490.14093	0.7
506.32489	74.1
507.32867	12.5
533.15936	0.5
545.16589	0.7
563.17493	1.0
580.19775	0.5
580.28760	9.3
581.18347	12.2
581.28223	2.1
581.36896	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80927	0.1
59.01377	15.7
60.01701	0.2
60.21793	0.1
61.98835	2.8
63.99257	0.2
65.97110	0.1
69.83317	0.1
70.15575	0.3
70.15981	0.6
71.01402	0.4
74.78934	0.1
76.03320	0.1
78.95907	5.7
78.98613	0.3
79.95758	0.5
80.96525	2.6
82.96112	0.2
94.98119	0.5
96.95982	0.2
96.96980	0.2
99.92587	0.2
115.92084	0.3
116.92865	0.3
122.97652	0.2
124.96820	0.1
134.97644	0.1
152.99606	1.5
156.20747	0.1
164.98634	0.4
168.04330	1.3
179.89232	0.4
180.89922	0.2
196.89482	0.5
209.28119	0.1
223.75430	0.2
224.06929	0.8
225.00685	0.6
236.92589	0.3
242.07983	2.4
281.24838	100.0
282.25195	11.9
288.92029	0.1
299.25974	0.1
312.52811	0.2
330.23727	0.1
506.32471	34.6
507.32822	6.5
580.19415	0.2
580.28705	4.6
581.18365	1.1
581.28717	1.2
605.54034	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.3
61.98829	100.0
62.99253	0.1
68.43529	0.1
70.17365	0.2
78.95928	0.4
146.80363	0.1
152.99612	0.4
186.74133	0.1
242.26035	0.1
277.21719	1.9
278.22116	0.7
279.22375	0.4
280.22787	0.3
292.62128	0.1
502.29279	0.8
503.30078	0.2
504.29947	0.1
505.30432	0.4
579.30695	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40230	0.1
59.01376	0.3
61.98830	100.0
62.98537	0.2
62.99257	0.1
70.96179	0.2
71.01393	0.2
75.55317	0.1
76.05350	0.1
78.95929	0.7
79.95732	0.1
80.96536	0.5
82.96104	0.5
85.02956	0.1
87.00888	0.1
94.98163	0.1
96.97693	0.2
98.51919	0.1
152.99620	0.3
164.98634	0.1
165.41760	0.1
168.04297	0.1
172.38875	0.1
182.35545	0.1
220.42191	0.1
224.07028	0.2
227.00359	0.1
245.43900	0.1
277.21655	1.3
278.22107	0.6
279.22406	0.4
280.22604	0.1
431.22055	0.1
501.86160	0.1
502.29324	1.2
503.29938	0.4
504.30634	0.1
505.30246	0.6
579.26843	1.7
580.27728	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.5
57.03452	2.6
58.00587	0.7
59.01380	100.0
60.01695	1.5
61.98831	5.8
64.16466	0.6
69.03471	0.6
71.00999	1.4
71.01389	24.1
71.01771	1.4
71.02975	0.6
71.50510	0.7
72.01741	0.8
72.99316	2.0
73.02954	10.5
75.00881	1.8
75.03885	0.6
79.95756	2.5
80.85639	0.6
83.01384	4.8
85.02961	14.9
87.00902	2.5
89.02454	5.3
95.01402	2.3
95.95256	1.6
96.96014	11.6
97.02982	2.0
97.06649	1.0
99.00911	3.6
99.80719	0.7
101.02457	16.0
101.06149	0.8
109.06665	0.9
111.00921	2.8
113.02462	13.1
119.03543	1.5
122.97860	0.6
123.04574	1.5
123.08102	0.8
125.02473	1.6
125.74608	0.7
129.01938	1.4
138.06906	1.9
141.01967	1.1
143.03566	1.6
152.01192	1.4
159.03024	1.6
160.01706	0.7
161.04613	2.7
162.15614	0.6
164.17421	0.6
167.03554	2.0
179.05693	0.9
193.04939	0.8
212.13884	0.7
237.18864	0.9
241.00301	1.0
253.18071	1.5
256.99734	0.8
270.00388	0.6
273.20734	8.2
274.21112	1.3
287.22363	1.3
301.23981	0.9
357.26526	1.3
369.22882	0.8
375.27530	4.6
387.24084	1.0
403.23447	7.1
404.24069	1.1
417.24921	47.7
418.25287	7.9
435.26016	47.6
436.26456	7.8
445.28058	5.4
446.28500	0.9
447.26114	0.8
449.27750	2.7
457.28146	1.8
459.25961	14.7
460.26425	2.4
463.29208	3.4
475.29254	2.2
476.30109	0.9
477.27069	19.2
478.27332	4.1
505.30420	3.6
517.30414	2.7
518.30762	1.1
519.31750	4.6
535.30298	0.9
579.25342	5.5
579.32990	4.3
580.25757	0.9
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
59.01382	4.1
61.98823	3.0
63.96224	0.9
65.00650	0.7
69.51881	1.5
69.52290	3.9
71.01385	6.7
72.99274	0.7
73.02948	1.7
78.95916	8.0
78.98595	4.8
79.95733	11.4
80.96521	62.7
81.88953	0.6
85.02954	3.7
87.00886	2.0
90.41534	0.6
94.98098	14.1
96.96016	14.7
96.96937	0.7
97.02917	1.1
98.20640	1.2
101.02462	2.0
106.98102	2.3
113.92623	1.4
114.93401	0.7
121.96841	0.6
122.97597	3.0
125.02444	2.1
127.03968	1.0
134.97583	4.1
136.11992	0.5
136.99120	2.0
148.99144	4.8
152.98564	5.6
152.99702	3.0
160.75360	0.6
164.98633	11.8
167.00194	0.8
171.00603	0.8
177.89784	1.0
178.90558	0.9
194.90083	1.0
206.99698	1.9
208.69133	0.6
224.07034	1.3
225.00735	14.2
245.04279	1.5
253.21771	1.3
255.71294	0.6
279.23203	3.1
281.24835	17.8
299.04504	3.5
481.25668	2.9
506.32538	14.3
579.28436	100.0
580.19519	1.1
580.28711	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70743	0.3
53.24001	0.3
58.33548	0.3
59.01376	4.2
61.59560	0.3
61.98833	3.1
63.96236	1.0
69.03461	0.6
70.88403	0.6
71.01392	6.1
73.02954	1.4
75.63174	0.3
78.95916	1.7
78.98596	5.2
79.92462	0.2
79.95740	9.1
80.96521	59.6
81.03475	0.8
81.96466	0.4
83.01396	0.6
85.02963	2.6
87.00896	2.5
93.58663	0.3
94.98093	14.3
95.01378	0.3
96.96014	2.7
97.02946	1.5
98.41084	0.2
99.00893	0.5
101.02453	2.5
106.98091	3.0
113.02454	0.3
122.97592	4.6
125.02447	3.3
127.04044	0.7
134.97588	4.4
136.99173	1.3
146.97586	0.3
148.99155	5.5
152.98630	6.3
162.78494	0.3
164.98643	10.6
167.00264	0.3
168.04268	0.5
179.00119	0.4
182.99696	2.7
203.72241	0.3
206.99709	3.5
207.68602	0.3
210.63742	0.3
225.00746	17.9
226.00943	0.4
242.08022	0.6
243.01743	1.6
270.38641	0.3
279.23340	3.5
281.24847	27.8
299.04449	2.4
400.54871	0.3
506.32492	11.0
579.28467	100.0
580.28802	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	579.23
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.1
57.03443	6.2
58.00592	1.3
59.01378	30.5
61.98834	3.0
64.55264	0.5
67.01894	0.7
68.99799	1.0
69.03455	0.9
69.57508	2.9
69.57928	0.8
71.01385	21.6
72.01732	0.6
72.99305	5.3
73.02948	5.5
75.00875	11.8
79.95734	1.5
81.03459	1.3
83.01392	2.8
83.05033	0.8
84.02161	0.5
84.53638	0.4
85.02956	36.6
86.03307	0.9
87.00877	5.8
89.02451	4.9
91.04036	0.6
93.03452	0.9
95.01395	3.5
95.95222	0.8
96.96022	12.0
97.02979	0.7
98.19852	0.5
98.95550	0.7
99.00896	8.1
99.04530	1.3
101.02442	3.6
103.00398	2.2
103.04037	1.5
106.98814	0.4
107.01423	0.6
108.02201	0.7
109.02912	1.0
111.00883	1.9
111.59240	0.4
113.02454	15.5
115.00391	1.7
115.55632	0.4
117.01949	1.7
120.01293	0.8
121.02969	0.8
121.10192	2.0
123.04507	0.6
123.08212	0.4
124.01671	0.5
127.04073	0.4
129.01967	3.0
130.99841	0.4
131.03581	0.6
134.03740	1.3
137.09717	0.8
138.97101	0.5
147.03023	3.8
149.04628	0.5
149.06044	0.7
151.00343	2.1
151.04085	0.4
152.01231	0.5
155.10811	1.2
157.01439	0.7
157.07069	0.5
159.04512	0.6
165.09198	1.4
167.03479	1.0
167.10757	3.9
169.05034	0.6
175.02481	1.6
175.03949	0.6
178.99860	0.7
181.05075	0.6
181.12346	1.7
185.07219	0.8
189.04076	0.5
191.01984	9.4
193.05121	0.8
199.09688	1.5
205.07191	0.5
209.03049	1.1
225.00665	0.7
227.03305	0.6
231.05046	1.1
241.00247	1.2
241.80424	0.4
243.03096	0.7
249.06131	9.4
250.06444	0.5
255.02953	2.1
267.07202	4.1
268.07608	0.7
269.07578	0.7
269.13907	1.4
271.02451	4.9
272.02905	0.6
297.04089	0.9
299.02029	2.5
300.02725	10.4
301.03375	4.6
329.16034	1.7
335.06125	0.6
336.06393	0.7
337.06430	0.6
343.04596	3.4
356.82202	0.4
368.16174	1.9
417.17712	2.0
431.19128	3.9
432.19269	0.6
433.07858	1.1
447.09424	6.2
448.09769	1.0
475.17981	1.3
489.10129	1.4
493.17929	2.1
494.17969	1.0
519.20343	1.0
519.31604	1.1
535.19775	3.8
536.21283	0.7
561.21960	0.9
579.14496	5.5
579.22980	100.0
580.14362	1.2
580.23242	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	2.1
57.03450	5.2
58.00585	1.4
59.01379	100.0
59.38407	0.9
63.62129	0.9
67.01900	1.0
68.99822	1.6
69.03452	1.9
71.01383	24.2
71.73374	0.9
72.99290	5.1
73.02952	5.7
75.00879	23.2
79.95743	1.2
81.03453	1.7
83.01411	2.4
84.72980	0.9
85.02951	29.5
87.00890	10.0
89.02460	8.3
95.01398	7.1
95.05016	0.8
95.95262	1.1
96.96022	14.3
97.02963	1.5
99.00875	11.9
99.04567	1.5
101.02440	4.7
103.00376	5.5
109.02969	1.6
111.00911	1.4
112.01663	1.0
113.02457	31.4
115.00398	2.3
117.01941	2.7
119.69546	0.9
129.01968	3.4
137.09718	2.1
139.11308	2.0
143.03514	1.0
151.00395	3.2
157.01445	1.4
161.04602	2.3
163.00487	1.2
163.11227	0.9
175.02498	3.6
178.99954	1.4
181.12360	35.8
182.12741	3.0
183.10202	2.6
191.02034	2.4
198.38066	1.0
207.13902	1.6
209.11752	1.4
225.11331	2.9
225.14952	2.1
226.11652	1.0
231.05087	3.0
238.03734	1.0
243.02850	1.3
249.06151	31.9
250.06540	1.8
255.03003	3.4
267.07178	4.0
269.13873	2.8
271.02448	8.3
299.14893	1.2
300.02719	15.5
301.03537	9.6
309.08347	1.2
356.11215	1.1
371.17050	1.0
400.57324	1.0
413.18271	1.8
431.19199	80.7
432.19553	10.2
447.09351	3.2
463.16434	2.1
470.26349	1.1
475.17673	35.5
476.18515	5.8
493.18759	8.1
497.65479	1.0
501.30157	1.3
519.20801	7.9
519.31702	18.7
520.31940	2.6
535.20264	89.6
536.20459	14.9
537.32727	5.4
579.13928	12.6
579.22980	23.5
580.14319	2.3
580.23303	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	579.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49564	0.6
55.01870	1.4
57.03449	3.2
58.00595	0.9
59.01381	32.9
59.15813	0.5
61.98819	1.6
68.02859	0.6
68.99816	0.6
69.03458	1.1
71.01389	17.4
71.05023	0.8
71.72936	0.7
71.73370	0.7
72.99297	1.6
73.02947	5.2
75.00876	2.4
79.95755	1.3
83.01386	3.4
84.02193	0.9
85.02960	13.8
87.00890	2.7
87.04533	0.7
89.02466	6.7
95.01375	3.1
96.96027	15.0
99.00890	2.3
101.02459	8.8
107.01369	0.7
108.02169	0.9
109.02945	2.4
111.00881	1.9
113.02465	8.9
119.03496	2.1
119.05072	0.6
121.02972	1.2
123.00873	1.1
123.08101	0.6
125.02431	1.8
129.01938	1.4
131.03526	1.1
133.01472	0.8
133.02940	0.7
135.00888	0.7
137.02478	8.5
137.09711	1.5
139.00348	0.8
139.03925	0.6
147.02995	1.4
148.01640	0.8
149.02551	0.8
149.04514	0.7
151.00400	15.3
151.03993	1.7
152.01105	1.4
152.04764	2.3
155.10858	0.8
161.04565	3.4
163.04012	1.4
165.01947	1.2
165.05560	0.7
166.02734	54.7
167.03348	4.0
170.58351	0.5
175.03995	1.0
177.01869	2.0
178.99844	1.5
179.05708	1.0
181.05078	67.6
181.12328	2.6
182.05354	3.6
184.03755	1.2
190.06355	1.0
191.01976	2.5
191.03523	0.9
192.04283	1.3
193.04939	0.9
205.05191	0.6
205.08754	1.2
207.06584	1.2
227.03529	1.0
239.33456	0.6
241.00233	1.2
243.03055	3.1
245.17503	1.0
245.29048	0.8
249.06061	1.6
255.02992	7.4
267.06985	1.0
269.13861	1.2
271.02460	12.8
272.02982	1.7
300.02762	25.0
301.03436	5.7
302.03143	0.6
306.07568	0.9
331.15210	0.7
357.26450	2.1
358.76102	0.6
359.11316	1.6
375.27502	2.5
387.10843	13.4
388.11234	1.8
402.13226	7.0
403.25290	1.0
417.15555	100.0
418.15869	13.6
431.19226	3.5
447.09259	0.7
447.17896	0.7
475.18771	2.7
493.17877	2.9
519.31696	36.4
520.32013	5.0
535.19775	5.1
537.32666	9.2
538.32928	1.1
579.13055	21.8
579.33600	2.1
580.13593	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	579.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.1
55.96129	0.5
57.03450	3.0
58.00571	0.7
58.02971	7.1
58.92230	0.5
59.01378	16.7
68.99811	0.6
69.03445	0.9
70.02981	5.7
71.01386	10.0
71.72600	0.5
71.72986	0.9
72.00910	2.0
72.04565	0.9
72.99308	2.0
73.02956	4.9
73.71412	0.5
74.02475	36.5
75.00872	3.2
75.57761	0.6
79.95724	1.0
83.01379	2.0
84.04577	0.6
85.02956	22.2
87.00896	2.6
89.02452	4.9
93.03489	0.6
95.01407	1.1
96.95451	0.8
96.96027	9.2
97.02976	0.5
98.02477	7.5
98.95650	0.5
99.00875	2.8
101.02448	5.6
103.00404	1.0
104.02349	0.4
109.02980	1.5
111.00909	1.5
113.02472	6.1
115.00385	2.7
116.03563	10.0
116.05070	12.7
117.05412	0.7
119.03498	0.6
125.02416	0.6
127.04031	0.6
129.01958	2.8
130.06604	1.2
131.03511	0.9
133.01454	0.7
134.03746	1.5
136.01701	0.8
137.02432	1.1
137.04735	0.5
139.00388	1.1
142.06639	3.4
143.03481	0.8
146.03743	1.9
147.02998	1.6
147.64366	0.4
149.02455	1.0
149.04581	0.6
150.03290	2.7
151.00374	0.8
151.04018	0.8
151.10426	0.5
153.09221	6.4
157.01416	1.2
159.09344	2.4
161.04622	1.3
161.06030	0.9
162.03258	1.6
164.04767	1.8
165.04323	0.5
165.05566	3.0
166.02718	4.3
173.00996	0.6
174.03238	1.5
175.02478	4.0
175.03918	1.1
177.05605	1.4
179.07111	2.5
181.05070	5.7
183.09283	0.7
189.05530	1.2
191.01982	6.0
192.04254	0.5
193.05084	0.7
195.06673	0.6
200.81969	0.4
200.83777	0.5
201.10381	3.2
203.08266	38.5
204.08653	2.7
207.06688	1.1
209.03029	10.9
210.03281	0.6
211.06123	0.5
219.06598	0.5
245.09299	100.0
246.09615	9.1
249.06151	4.2
267.07190	1.7
289.08459	0.7
299.12860	0.8
325.51096	0.6
327.12637	0.8
339.12424	2.6
349.95187	0.5
371.12512	0.6
387.10849	1.4
403.08862	0.5
403.16049	2.1
417.15656	7.7
418.16013	1.4
447.15030	15.7
448.15454	1.8
468.97586	0.5
519.24506	7.5
519.31702	0.9
520.24829	1.3
566.56061	0.5
579.10748	1.1
579.19470	9.9
580.20239	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	579.136
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06386	0.5
55.01877	2.7
57.03445	13.4
58.00583	0.6
59.01377	22.7
61.98828	4.2
68.99823	1.2
69.03438	0.9
69.82616	3.4
71.01379	18.8
72.99302	3.0
73.02943	5.1
75.00867	3.7
78.95918	0.5
79.95741	1.8
80.96526	0.6
83.01380	5.2
84.02168	2.3
85.02955	100.0
86.03294	2.1
87.00882	3.6
88.98817	1.1
89.02450	14.3
91.01899	1.3
93.03477	0.7
95.01408	0.9
95.95236	1.6
96.96015	16.6
96.99316	1.5
97.02981	0.5
98.95575	1.2
99.00900	3.4
99.04529	0.8
101.02456	9.0
103.00364	2.2
108.02171	1.2
109.02980	1.6
111.00885	9.7
113.02458	4.5
115.00372	1.3
117.03526	0.6
119.03477	1.2
119.05019	1.0
120.01303	0.5
121.02979	3.2
123.00893	0.5
123.04528	3.2
125.02444	1.3
128.07176	1.3
129.01959	17.5
130.02322	0.7
131.03516	3.7
131.07141	1.3
133.01434	2.1
134.03748	10.4
135.04541	1.4
136.01671	3.4
137.02448	1.8
143.03569	1.0
145.03050	0.7
146.03719	2.6
147.03003	9.5
147.04495	1.7
148.05345	0.8
149.02448	1.4
149.04565	8.8
149.06052	1.3
150.03210	1.7
150.97060	0.6
151.04047	4.3
153.05663	0.5
153.09253	1.9
158.03749	2.8
159.04520	5.1
160.01683	0.8
161.02419	0.6
161.04523	1.5
161.06094	1.5
162.03207	0.7
163.03954	1.5
164.04758	1.1
165.05557	1.9
166.02754	1.0
173.00908	4.8
173.06073	2.0
173.08195	0.7
175.02600	0.7
175.03932	2.6
177.01898	0.6
178.02731	1.4
179.07077	0.7
181.05083	2.0
185.35046	0.4
187.02457	0.6
189.05717	0.7
189.12807	1.7
190.02820	0.5
191.01976	42.4
191.05630	1.7
192.02338	1.7
193.05045	8.9
195.06602	1.4
202.12335	0.5
205.03497	1.5
209.03021	37.6
210.03377	1.7
211.06137	2.3
223.04367	1.1
241.00302	0.7
249.05946	0.8
266.06110	1.4
266.11053	0.6
267.06821	1.9
271.09680	0.9
281.08273	3.3
282.08890	1.8
283.09552	0.7
284.10394	0.8
285.11017	0.7
293.08582	0.9
295.06216	2.7
299.01828	0.6
309.07761	0.5
310.08359	4.3
311.09521	0.7
323.07782	0.6
325.10815	2.3
327.12576	0.8
329.11292	0.7
337.09177	0.9
339.12375	3.1
341.08795	1.1
367.06879	1.2
369.09741	1.7
385.07770	0.7
387.10831	39.2
388.11234	5.2
403.08774	0.8
417.15585	1.4
447.14975	2.8
493.17227	0.6
519.24518	12.7
520.24768	2.0
578.22626	0.7
579.11426	3.4
579.21960	5.9
580.12347	0.6
580.21313	1.5
608.57104	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.7
57.03444	2.8
58.00587	0.5
59.01378	39.9
60.01699	1.0
61.98824	0.6
63.02375	1.4
65.00314	2.5
69.03445	0.7
69.92780	0.4
71.01000	0.6
71.01386	12.3
71.73175	0.7
72.99316	2.4
73.02960	2.7
75.00870	9.4
78.78996	0.4
79.79436	0.5
79.95718	0.7
83.01389	3.3
85.02441	0.8
85.02956	17.4
86.03251	0.5
87.00897	2.7
89.02448	3.6
91.01848	0.6
93.03444	0.9
95.01392	2.9
96.96022	8.7
99.00872	5.0
99.04528	0.9
101.02470	3.2
103.00360	1.8
106.76581	0.5
107.01398	5.0
108.02183	1.2
108.54719	0.5
109.02983	4.4
111.00886	0.8
113.02471	13.0
115.00353	1.2
117.01945	1.5
119.01248	0.4
119.05029	0.8
121.02972	5.1
125.02468	0.8
129.01930	1.9
135.00923	1.1
137.02386	0.6
139.11241	0.7
146.18282	0.6
147.02997	1.9
148.01695	1.4
149.02461	1.0
151.00380	24.1
152.00768	0.5
157.01447	0.7
159.04524	1.4
161.02451	0.6
161.04500	0.9
163.00374	5.3
164.01114	0.8
165.12814	0.6
169.01401	1.4
174.03201	0.8
175.02463	0.8
178.99873	12.6
181.10738	0.9
181.12347	8.7
183.04477	0.8
187.03923	0.8
189.10866	0.4
191.01958	3.4
191.03484	0.7
192.00615	0.6
199.53284	0.5
201.05560	1.0
203.03575	0.7
203.12956	1.3
205.07053	0.5
207.13922	1.0
209.03076	0.8
209.11838	1.6
211.03987	2.4
215.03488	0.6
225.00644	0.9
225.15007	1.5
226.02711	0.7
227.03517	3.4
229.04990	1.8
231.05145	0.6
239.03362	0.7
241.00076	0.5
243.02957	6.0
243.12158	0.5
245.04495	4.1
245.14079	0.6
249.06149	9.6
254.02200	1.2
255.02963	19.7
256.03424	2.3
257.04492	0.6
266.02176	0.8
267.07236	3.8
269.13901	2.1
271.02457	35.4
272.02786	3.9
273.03973	2.2
283.02429	3.4
284.03128	0.6
285.03955	0.6
299.01932	0.9
300.02750	61.0
301.03506	67.9
302.03857	6.6
309.08215	1.1
352.30771	0.5
357.26410	0.8
371.17145	0.9
413.18280	0.9
431.19186	18.3
432.19443	1.9
457.21149	0.8
463.16357	0.6
475.18283	6.5
475.22678	1.9
476.18253	0.8
493.18423	3.2
519.20868	9.7
519.31750	7.4
520.21179	1.0
535.20441	20.5
536.20953	3.1
537.32660	1.4
579.13684	100.0
579.23016	19.8
580.13989	19.4
580.23560	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	579.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.7
57.03452	3.6
59.01379	12.4
61.98824	2.0
65.00346	0.5
69.03504	0.5
71.01389	5.3
71.01719	0.5
71.73442	0.5
72.99340	1.5
73.02969	1.7
79.95762	0.9
83.01405	1.2
84.02187	0.6
84.51497	0.4
85.02955	22.9
86.03296	0.8
87.00878	2.0
88.98841	0.6
89.02479	1.8
90.77010	0.5
95.95271	0.6
96.96026	9.2
96.96600	0.7
98.95621	1.1
99.00919	1.1
101.02464	1.2
102.54038	0.4
103.00425	0.8
107.01379	1.0
108.02208	1.6
109.03017	0.5
111.00900	0.8
113.02465	3.2
114.93474	0.5
115.00427	0.7
116.92889	1.0
120.01298	0.6
123.04561	0.5
129.01959	2.6
131.03513	0.7
134.03769	1.7
135.00957	0.6
147.03026	4.3
148.01706	1.4
149.04741	0.6
149.06131	1.0
151.00401	3.7
153.05637	0.7
153.09256	1.0
155.10823	0.9
163.00400	0.6
163.04109	0.8
167.03564	1.4
167.58981	0.4
171.78821	0.4
178.02771	0.4
178.99867	2.6
181.05148	0.6
181.12349	0.6
187.04022	0.5
191.02014	9.9
191.07140	0.5
193.05115	1.6
199.03964	0.7
199.09825	0.6
209.03058	1.9
211.03951	0.5
211.06038	0.8
215.03447	0.6
226.02852	0.7
227.03546	2.1
228.20712	0.5
241.00276	0.5
243.02983	9.1
244.03439	0.7
249.06137	1.1
254.02280	1.8
255.02974	21.2
256.03366	2.0
267.07211	1.1
269.07751	0.4
269.13898	1.0
271.02466	51.1
272.02893	5.2
299.01962	1.5
300.02759	100.0
301.03241	13.6
311.10370	0.9
329.40182	0.5
367.10284	0.6
387.10977	0.6
415.06784	0.7
431.19043	1.8
447.14880	1.5
475.17358	1.0
493.17523	1.8
519.31824	1.1
535.20044	3.0
548.12714	0.7
578.21271	0.6
579.13489	75.6
579.21600	4.0
580.13672	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	579.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21664	0.5
56.26833	0.5
57.03452	3.6
58.00614	0.6
59.01379	34.3
60.01731	0.6
61.98829	1.7
63.02407	0.7
63.82290	0.6
65.00338	2.0
69.03461	0.8
70.09563	0.5
70.76620	1.6
71.01387	13.1
72.99313	1.8
73.02950	8.1
79.95776	0.8
83.01408	2.7
84.02164	0.7
85.02957	18.2
87.00880	2.7
87.04509	0.7
89.02448	7.0
91.57697	0.5
93.03454	1.0
95.01403	1.3
95.95277	0.7
96.96024	11.6
99.00900	1.4
101.02458	14.0
101.03095	1.1
103.00378	1.0
103.04027	5.3
107.01396	4.3
108.02205	1.1
109.02978	1.6
111.00883	1.2
113.02470	6.5
115.04024	1.9
119.03519	1.7
119.05003	0.8
120.01230	0.7
121.02979	1.6
123.01646	0.6
124.01672	1.4
125.02484	1.2
127.04134	0.9
129.01964	1.5
131.03526	2.5
134.03726	0.9
135.00899	0.6
135.04550	0.7
137.09743	0.8
139.04001	0.6
143.03516	1.9
145.05080	1.7
147.03038	2.5
148.01694	2.4
149.02419	0.7
151.00406	20.1
152.00896	1.0
153.01988	0.7
153.05467	0.7
155.10791	2.7
161.02417	0.6
161.04539	0.8
163.00435	0.8
163.04034	1.1
163.06146	18.2
164.01100	0.7
176.46489	0.6
178.99886	7.2
181.05110	1.6
181.12350	1.6
183.04584	1.3
187.04089	0.7
190.02771	0.7
191.02026	4.6
193.08931	0.6
199.04012	2.6
199.09814	1.3
203.03426	0.6
205.07108	4.7
207.13934	1.3
209.03055	1.3
211.04124	1.2
211.06128	2.2
215.03511	0.9
225.14970	0.9
226.02647	1.3
227.03479	4.3
241.00191	0.9
243.02969	12.2
244.03423	1.3
249.06172	2.9
254.02130	1.8
255.02979	24.8
256.03323	2.1
265.09329	2.0
266.06442	0.7
266.56808	0.7
267.07178	2.9
267.11499	0.8
269.13907	0.9
271.02460	53.1
272.02917	6.0
273.03989	1.0
273.73224	0.6
299.01999	20.8
300.02750	100.0
301.03424	31.8
301.10718	0.9
302.03879	2.0
309.08157	1.1
313.03537	1.4
325.11533	0.8
343.04611	1.1
358.63126	0.6
375.27692	0.8
431.19278	2.0
432.07104	2.9
433.07767	34.7
434.08038	4.1
447.09497	6.9
463.16232	1.3
475.21613	2.3
493.17758	2.1
504.14960	0.7
519.20483	3.3
519.28076	2.5
519.31708	2.2
535.19812	3.0
579.13556	93.2
579.22632	10.6
580.13873	17.3
580.22742	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	578.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	21.8
61.98819	1.3
63.96210	0.4
69.40858	1.0
69.41274	3.0
71.01388	1.8
72.05832	0.4
78.95909	19.4
78.98598	1.1
79.95737	1.9
80.96523	16.6
80.97009	0.8
81.10887	0.3
81.95351	0.4
82.37626	0.3
82.96102	1.0
85.02953	0.8
87.00878	0.5
94.98107	2.9
96.95992	0.5
96.96949	0.5
97.02975	0.5
101.02460	0.5
106.98103	0.7
121.56221	0.3
122.97610	0.7
125.02482	0.7
134.97633	0.8
136.99121	0.4
148.99156	1.3
149.99428	0.4
152.98604	1.2
152.99663	2.7
164.79842	0.4
164.98640	2.8
165.99016	0.4
168.04343	3.4
183.39885	0.3
206.99763	0.6
222.83058	0.4
224.06934	8.9
225.00812	2.4
226.01225	0.8
238.00183	0.3
238.02597	0.3
242.07986	1.7
261.22159	0.6
279.23279	100.0
280.23630	11.9
398.57990	0.4
446.33157	0.3
500.65164	0.4
504.30939	71.4
505.31271	10.8
507.85303	0.4
519.27594	0.5
578.27234	26.3
579.27045	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	578.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	14.4
61.98830	46.5
62.98522	0.8
63.99253	3.6
64.58301	0.4
69.53306	1.0
69.53700	3.5
71.01382	3.9
73.02929	0.7
78.95915	5.4
78.98569	2.0
79.95727	3.3
80.96520	23.3
81.96489	0.6
82.96096	1.5
85.02961	1.1
87.00862	1.1
94.98087	6.0
96.97679	0.6
101.02448	1.0
106.98107	1.0
122.97609	2.0
125.02422	0.9
131.63741	0.4
134.97601	1.6
136.99158	0.4
148.99149	1.3
149.99330	0.5
152.98521	2.1
152.99632	1.3
153.99001	0.6
164.98647	4.5
165.98907	0.6
168.04301	1.4
168.46971	0.5
182.99709	0.7
198.45290	0.5
206.99725	1.2
224.06920	0.8
225.00751	4.9
226.00977	1.4
227.00447	0.7
242.07944	3.1
243.01538	0.5
261.22305	0.5
278.22031	0.9
279.23276	100.0
280.23611	10.8
299.04581	0.6
300.04327	0.5
311.17444	0.5
504.30927	36.3
505.31110	6.1
578.27222	43.0
579.27136	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	578.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06014	0.2
59.01368	0.3
60.74209	0.2
61.98830	100.0
63.96250	0.2
71.01386	1.4
71.73501	0.3
72.99323	0.2
73.02956	0.4
73.75953	0.2
78.95895	1.4
78.98586	1.2
79.95737	2.3
80.96523	14.0
81.03458	0.2
85.02924	0.9
87.00876	0.5
94.98100	3.2
96.96016	1.2
97.02972	0.4
101.02468	0.7
106.98100	0.6
115.92089	0.3
122.97611	1.2
125.02452	0.7
127.04053	0.3
134.97603	1.0
136.99153	0.3
148.99184	1.3
152.98601	1.6
152.99660	0.6
164.98634	2.5
182.99692	0.7
194.90047	0.2
196.89471	0.2
206.99748	0.7
225.00728	3.9
243.01761	0.4
279.23309	1.4
280.23581	0.7
281.24460	0.6
299.04254	0.9
456.99698	0.2
578.21783	0.7
579.28479	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25180	0.2
57.24994	0.2
57.65329	0.2
59.01377	0.4
61.98830	100.0
71.01392	0.8
71.30858	0.7
74.38706	0.2
78.86303	0.2
78.95914	1.0
79.95737	1.1
80.96522	4.9
85.02956	0.3
87.00854	0.4
89.05107	0.2
93.87215	0.2
94.98079	1.3
96.96017	2.0
101.02477	0.3
125.02508	0.4
130.50728	0.2
134.97617	0.4
145.24240	0.2
148.99214	0.5
152.98558	0.4
152.99628	0.5
164.98663	1.0
225.00787	1.0
233.91637	0.2
245.04332	0.4
250.77858	0.2
253.80013	0.2
255.23535	0.3
276.47552	0.2
279.23364	0.8
280.23764	0.6
281.24179	0.6
282.24561	0.4
299.04587	0.4
341.10779	0.3
481.25696	0.5
579.28491	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	1.6
61.98831	23.4
62.98539	0.3
63.96231	1.4
63.99232	0.3
66.55156	0.3
69.03451	0.7
70.41210	1.2
71.01387	6.9
72.91534	0.3
73.02954	1.3
78.95911	2.5
78.98600	6.7
79.95742	9.6
80.96523	66.6
81.03449	0.9
83.01404	0.4
85.02947	2.5
87.00877	2.8
89.02441	0.3
94.98097	14.6
95.01384	0.3
95.41933	0.3
96.96013	1.1
97.02977	1.5
99.00892	0.8
99.43132	0.3
99.70020	0.3
101.02440	3.2
106.98108	2.9
113.02457	0.5
118.39452	0.3
121.03025	0.3
122.97598	4.5
125.02461	2.7
127.04025	0.6
134.97606	4.8
136.99156	1.0
140.91426	0.2
148.99159	5.9
152.98642	6.8
164.98647	11.1
167.00226	0.5
179.00221	0.3
182.99696	1.8
188.98669	0.5
191.03502	0.4
206.99664	2.7
225.00737	16.3
226.01027	0.7
243.01834	0.9
253.21628	0.8
277.21802	2.5
278.22067	0.6
279.23300	4.8
299.04495	3.1
379.28522	2.1
380.28864	4.3
402.82523	0.3
476.27911	0.7
504.30890	1.6
577.26892	100.0
578.27246	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	577.36
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68055	0.5
59.01379	19.8
59.74225	0.5
61.98820	1.2
62.01669	0.5
68.41296	0.4
71.01390	3.8
71.28747	1.1
73.02959	0.7
85.02934	0.8
89.02456	2.5
90.35383	0.4
91.04028	3.6
96.96008	2.5
98.81821	0.5
101.02442	2.8
101.13999	0.5
113.02479	1.3
119.03544	0.5
129.71637	0.5
131.75203	0.4
161.04593	1.4
176.91266	0.5
191.96233	0.5
193.20624	0.4
218.27217	0.5
235.08223	1.4
253.09293	12.3
254.09438	0.7
281.24844	100.0
282.25153	12.8
307.30032	3.0
347.03134	0.5
351.29050	1.9
369.30023	2.3
419.14194	0.5
425.32541	2.7
443.33749	3.4
518.83057	0.5
577.26947	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	578.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06802	0.2
55.01892	0.2
57.03445	1.1
59.01382	0.9
61.98831	100.0
71.01398	0.8
71.72196	0.3
75.00872	0.4
83.01411	0.4
85.02958	5.6
87.00887	0.3
88.91962	0.2
89.02451	0.3
96.96014	2.5
96.96503	0.2
111.00893	0.5
115.00388	1.1
119.05011	0.3
120.01251	0.4
120.41641	0.2
123.04531	0.2
125.02441	0.4
129.01941	0.9
134.03806	0.4
147.03050	0.6
153.07323	0.2
157.01437	0.2
159.04578	0.4
173.00966	0.2
175.02531	0.7
175.04005	0.2
177.05702	0.2
191.01991	3.4
191.07355	0.3
193.05066	0.3
209.03038	2.3
216.99316	0.2
243.64465	0.2
256.68427	0.2
289.07419	0.3
291.08871	0.7
293.09406	0.2
295.06049	0.3
310.08569	0.3
325.18704	0.2
387.10837	2.3
455.12088	0.3
578.11798	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	0.6
59.56520	0.3
63.96243	1.4
64.83900	0.3
69.03458	0.7
70.49528	0.9
71.01385	8.0
73.02953	2.1
78.98595	6.1
79.95740	10.4
80.96523	69.5
81.03473	0.8
85.02946	2.6
87.00878	2.2
88.47279	0.3
94.98095	15.7
95.01372	0.5
96.96026	1.0
97.02962	1.6
99.00878	0.5
101.02451	2.9
106.98099	3.1
122.97591	5.7
125.02460	2.9
127.04053	0.6
134.97606	4.4
136.99149	1.1
146.97623	0.4
148.99162	5.8
149.99469	0.4
152.98650	6.6
157.64839	0.4
164.98647	10.8
167.00156	0.7
169.65239	0.3
182.99710	2.2
188.98679	0.4
206.99712	3.1
225.00745	16.9
243.01820	1.5
277.18973	0.4
277.21722	2.3
299.04303	2.7
317.05414	0.4
404.20013	0.3
439.42966	0.3
577.26898	100.0
578.27228	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	577.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46123	0.4
57.03439	0.4
59.01374	2.5
61.98827	20.9
63.96238	1.1
69.03465	0.4
70.07845	0.9
70.08264	1.0
71.01384	7.3
73.02950	1.7
78.95907	3.7
78.98595	5.9
79.95734	9.9
80.33556	0.3
80.41631	0.3
80.96518	68.8
81.03457	0.8
85.02950	3.0
87.00880	2.5
87.04529	0.3
88.85224	0.3
89.02464	0.9
94.98090	15.9
95.01382	0.5
96.96044	0.9
97.02955	1.5
99.00896	0.5
101.02444	3.4
106.98100	3.0
113.02467	0.9
115.92101	0.4
122.97601	4.9
125.02464	2.4
127.04013	0.8
134.97598	4.9
136.99161	1.5
146.97627	0.5
148.99135	6.7
152.98622	7.0
152.99619	0.7
159.40369	0.3
164.98636	11.9
165.98915	0.4
167.00182	0.6
179.05695	0.5
182.99626	0.9
196.89497	0.4
197.89531	0.5
206.99661	2.3
225.00739	15.7
226.01068	0.6
243.01677	0.4
253.21593	2.0
277.21747	1.6
279.23300	6.0
280.23343	0.5
299.04367	3.1
323.09848	0.5
341.10883	0.8
379.28561	1.0
380.28748	2.4
476.27710	1.7
477.28177	0.4
504.30740	1.9
564.12927	0.4
577.26904	100.0
578.27209	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	577.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	3.6
58.00584	2.3
59.01378	80.3
61.98827	1.7
67.33919	1.0
69.03456	6.9
71.01385	57.5
71.72363	1.2
72.99305	4.6
73.02952	11.7
75.00857	1.4
75.72797	1.1
81.43796	1.1
83.01406	2.2
85.02957	16.8
87.00873	5.1
88.98849	1.3
89.02450	100.0
95.01402	1.7
96.96021	16.3
97.02952	4.8
99.00902	15.6
101.02455	48.8
109.02958	2.8
111.00916	1.5
113.02475	13.2
115.04052	1.5
119.03514	3.5
120.01238	3.1
123.04507	1.5
125.02457	3.5
129.01939	1.7
129.87622	1.1
131.03514	22.3
136.05182	1.2
141.01938	3.1
143.03510	3.5
147.03011	1.5
149.04572	94.2
150.03217	1.6
150.04895	2.7
153.01872	1.5
155.81898	1.4
161.04585	7.0
185.00972	6.1
191.01944	4.1
191.05611	19.5
195.06660	2.2
209.02946	1.1
221.06622	7.0
241.00233	2.5
251.07637	5.0
267.07126	3.5
281.08844	1.9
285.07703	5.8
293.08707	5.2
311.09811	22.3
335.06189	2.0
335.17422	1.6
415.12668	2.5
464.04321	1.6
577.18860	6.3
578.25055	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52833	0.2
59.01372	1.3
63.96230	1.7
69.03453	0.7
70.96384	0.2
71.01381	7.8
73.02947	2.2
78.98597	5.7
79.95741	11.6
80.96520	76.8
81.03460	1.2
81.28410	0.2
81.96432	0.4
83.01412	0.4
83.45683	0.2
85.02953	3.2
87.00880	3.1
94.98095	16.7
95.01397	0.4
96.96017	1.2
97.02957	1.6
98.19940	0.6
99.00883	0.4
101.02446	3.1
106.98100	3.6
113.02451	0.5
122.96740	0.5
122.97591	6.2
125.01624	0.4
125.02471	3.2
127.04031	1.1
134.97601	4.9
136.99176	1.3
142.06821	0.2
146.97592	0.5
148.99156	5.8
152.98651	7.7
164.98643	11.0
165.99017	0.3
167.00214	0.6
179.00227	0.2
182.99684	2.7
188.98624	0.4
206.99669	3.3
222.26907	0.3
225.00742	16.2
226.01025	0.8
243.01823	1.6
277.21652	2.2
282.04840	0.3
299.04364	2.6
443.33932	0.3
577.26892	100.0
578.27197	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	577.214
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09873	0.6
51.26854	0.6
55.01880	1.0
57.03447	5.5
58.00579	0.9
59.01378	70.8
60.01702	0.9
61.98836	0.7
66.14037	0.7
67.01884	0.8
68.50791	0.6
68.99825	0.8
69.03446	2.6
71.01382	26.9
71.05004	0.8
72.99307	7.6
73.02948	3.7
75.00878	12.9
79.95735	6.8
81.41209	0.7
83.01387	2.5
85.02958	31.1
87.00880	10.5
88.01222	0.6
89.02444	9.1
91.04011	1.6
93.03471	1.2
95.01387	6.1
95.95216	1.5
96.96021	36.5
97.02988	1.7
98.95620	1.4
99.00886	10.6
101.02440	6.6
103.00374	3.5
109.02955	1.6
111.00914	3.4
112.01741	0.8
113.02465	41.9
114.02798	1.0
115.00397	2.1
116.92835	1.7
117.01943	3.1
119.03513	1.6
123.32657	0.7
125.02514	1.3
127.04032	0.9
129.01933	3.8
131.03494	2.1
133.01506	0.8
135.04538	0.8
137.02432	2.3
139.00319	0.8
139.04012	1.1
139.11304	3.5
142.99907	0.8
143.03516	0.8
147.02995	1.0
149.04587	1.5
151.11255	0.8
153.01924	1.3
157.01433	1.9
159.03033	0.9
161.04501	1.2
162.02191	0.8
163.04073	0.7
165.04111	0.8
165.05605	0.8
167.14432	2.9
175.02483	3.2
177.05585	0.7
179.03459	0.7
179.05611	0.7
179.10762	1.2
185.00952	1.2
191.02007	1.7
193.03543	8.5
195.13831	1.6
197.15495	14.3
198.15761	1.4
205.07176	6.1
207.05052	0.9
208.55563	0.7
223.13353	1.7
224.72342	0.7
231.05162	1.4
241.00148	1.4
241.14439	16.9
242.14813	1.5
247.08224	3.3
249.06123	14.2
250.06384	1.1
265.14444	5.3
267.07181	100.0
268.07535	5.2
291.07236	22.0
292.07516	2.1
300.02545	0.8
309.08258	27.4
310.08542	1.7
335.06186	83.3
336.06567	5.5
353.07339	2.7
369.15543	0.8
429.17554	2.7
433.07538	0.9
470.04077	0.8
473.20416	1.6
497.16571	1.3
517.19543	0.9
517.26245	1.0
533.19415	0.9
535.27319	0.8
559.20056	1.1
577.13208	13.8
577.21582	25.4
578.13715	2.2
578.22198	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	576.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
67.97919	0.2
68.52210	0.2
70.49799	0.9
78.95912	0.8
116.92843	0.2
179.89136	0.2
234.58592	0.2
277.21704	0.4
278.22128	0.5
279.22461	0.4
280.22842	0.2
296.06848	0.2
457.46008	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	29.4
60.01710	0.5
61.98825	0.6
62.96410	0.2
63.96247	0.2
64.48120	0.2
71.01379	1.3
76.22150	0.2
78.95908	28.6
78.98596	0.8
79.95745	0.9
80.96521	8.1
82.87629	0.2
83.05067	0.2
85.02967	0.5
87.00835	0.2
89.20037	0.2
93.82745	0.2
94.98096	1.9
96.96977	0.4
97.03012	0.3
98.19772	0.3
101.02467	0.3
103.31574	0.2
106.98105	0.5
107.25536	0.2
115.35853	0.2
115.36703	0.2
122.97609	0.8
122.98564	0.6
125.02460	0.3
127.07651	0.3
134.97580	0.4
134.98502	0.2
148.99138	1.0
152.98592	0.7
152.99643	4.0
163.28622	0.2
164.98628	1.4
168.04320	4.3
169.04784	0.2
176.83072	0.2
182.99738	0.4
194.05882	0.4
200.85461	0.2
205.82979	0.2
206.99677	0.2
224.06920	11.2
225.00761	1.9
225.07236	0.4
229.80130	0.3
233.22758	0.5
234.23100	0.2
242.07985	2.7
243.01544	0.2
259.20596	0.6
275.20239	0.6
277.21710	100.0
278.22064	11.7
299.04578	0.3
340.71475	0.2
500.61884	0.2
502.29361	81.7
503.29715	14.2
517.25708	0.3
577.26892	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	576.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	19.4
60.01705	0.3
61.50724	0.1
61.98836	0.2
69.52616	1.1
69.53036	0.2
71.01410	0.2
78.95908	7.6
79.89171	0.1
83.99599	0.1
93.43728	0.1
96.49158	0.1
96.96973	0.2
127.07659	0.3
133.83578	0.1
152.99597	1.7
163.27063	0.1
168.04340	1.7
205.19922	0.1
224.06935	1.2
233.22731	0.4
242.07986	3.3
243.08324	0.2
259.20679	0.3
275.20087	0.3
277.21713	100.0
278.22070	11.6
372.08612	0.2
404.96078	0.2
502.29367	39.8
503.29715	6.8
503.35568	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	577.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	4.6
57.03446	2.4
59.01381	29.2
67.01917	1.1
67.77193	0.5
69.03460	100.0
70.03787	2.5
71.01386	14.5
71.72498	0.8
71.72865	0.7
72.99313	2.9
73.02952	5.6
75.00887	2.9
79.01903	1.6
79.60538	0.6
79.95747	2.1
83.01409	2.5
85.02961	10.3
85.44836	0.7
87.00892	3.4
89.02449	7.6
95.01408	5.0
95.95263	1.1
96.96026	19.1
97.02966	21.1
98.03284	1.1
98.95548	0.7
99.00895	24.5
99.01524	1.4
100.01244	1.2
101.02454	7.7
113.02482	10.2
119.03509	3.0
119.05031	0.7
123.00959	1.0
125.02460	0.9
129.01952	0.9
131.03574	1.5
137.02502	1.3
138.05629	1.4
141.01962	8.8
143.03525	1.1
147.03146	0.6
149.02467	0.7
149.04492	1.0
150.03268	2.1
161.04607	1.3
161.09775	0.7
165.04124	0.7
165.05566	1.4
173.52187	0.6
176.01021	0.7
179.05609	1.0
185.00932	81.4
186.01309	3.4
191.02060	1.5
195.06589	0.8
223.13347	1.8
241.00208	2.5
241.14403	1.0
249.06200	2.1
267.07172	5.7
267.12360	1.2
268.07410	0.7
281.06650	0.9
283.10413	0.8
291.07297	1.3
301.39301	0.6
309.08380	1.1
313.18442	0.8
334.04404	0.7
335.06039	3.1
339.83502	0.8
343.11932	2.1
369.15851	1.0
391.13977	2.4
403.11060	1.0
429.17914	1.5
491.16559	0.8
517.19678	1.2
517.26563	8.8
518.26862	1.1
535.27686	5.6
577.13739	2.1
577.22430	11.6
578.23029	1.1
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
55.01860	0.2
59.01379	14.1
60.04396	0.1
61.98822	0.4
69.43758	1.3
71.01386	2.9
72.99328	0.3
73.02952	0.6
81.03463	0.1
83.01402	0.4
85.02952	0.8
87.00867	0.3
89.02453	2.4
91.03970	0.2
95.01410	0.3
96.96038	0.2
98.20656	0.2
99.00887	0.3
101.02454	2.8
103.04073	0.2
113.02472	1.2
119.03522	0.6
133.05092	0.3
143.03476	0.4
161.04588	1.0
179.05594	0.4
235.02637	0.1
235.08250	1.7
243.03461	0.1
253.09279	14.3
254.09657	0.8
261.22244	0.2
271.55212	0.2
279.23279	100.0
280.23630	12.1
308.12085	0.1
500.88593	0.1
515.32397	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	576.1214
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.4
59.01377	0.6
61.98830	100.0
62.98527	0.2
71.01402	0.6
71.71980	0.3
72.99358	0.2
78.95912	0.4
79.95753	0.4
83.01397	0.2
85.02952	1.3
87.00932	0.3
88.98795	0.8
89.02439	0.3
94.35345	0.1
96.96019	5.1
96.96980	0.3
99.00904	0.4
101.02457	0.2
109.02953	0.2
111.00865	0.3
113.02476	0.4
116.92894	0.3
120.01263	1.9
123.04493	0.2
125.02472	0.4
129.01952	0.2
139.00409	0.3
140.35905	0.2
148.05331	0.3
149.06047	0.2
152.74638	0.2
152.98624	0.2
157.01462	0.4
167.03610	0.2
168.41380	0.2
170.29240	0.1
175.04082	0.3
177.05498	0.2
191.01993	0.4
203.77408	0.1
207.06787	0.2
209.04753	0.3
241.00107	1.0
245.07967	0.2
251.05685	0.5
267.07220	0.3
273.04199	0.2
285.07733	0.7
289.07275	0.3
325.16360	0.2
333.06226	1.3
407.07904	0.2
441.13724	0.3
473.89536	0.2
495.11429	2.3
496.12180	0.3
504.77567	0.2
533.10144	0.2
576.11932	0.8
576.20355	0.3
577.12512	1.4
577.21143	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89742	0.1
59.01382	0.3
61.98831	100.0
63.20602	0.1
69.43645	1.2
71.01392	0.5
77.52670	0.1
78.98616	0.4
79.95758	0.5
80.96523	4.4
85.02973	0.3
85.12897	0.1
88.60071	0.1
94.98096	1.0
98.19917	0.3
101.02486	0.3
106.98094	0.2
125.02462	0.2
134.97572	0.3
148.99159	0.4
152.98679	0.4
164.98642	0.9
182.99776	0.1
194.81723	0.1
225.00740	1.0
243.02069	0.2
277.21771	0.5
278.22089	0.9
279.22379	0.4
280.22702	0.3
299.04239	0.2
334.87503	0.1
385.24826	0.1
577.26904	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	575.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33027	1.0
50.69092	1.0
51.45387	0.9
59.01372	3.4
59.20007	1.0
61.98831	1.7
62.26460	1.0
67.31261	1.1
69.03493	1.1
70.12045	1.5
70.12458	4.7
71.01376	7.7
73.02953	1.9
75.00880	3.7
83.01389	4.7
85.02948	3.7
87.00886	12.6
93.03458	6.1
96.96024	3.4
97.02969	1.3
98.20221	3.0
99.00890	6.1
101.02478	1.8
111.00880	4.5
113.02422	1.5
115.00388	46.7
116.92855	2.7
119.05028	16.1
123.04501	2.6
129.01921	1.8
131.05058	2.0
132.02190	1.1
133.02951	4.0
133.06586	8.0
134.03722	1.5
135.04543	2.4
137.29929	1.2
139.00414	7.7
145.02965	3.7
145.06587	1.4
145.94504	1.1
147.04552	7.2
157.01431	20.5
158.03619	1.0
159.04463	1.4
161.06140	1.0
165.05638	1.3
165.86011	1.2
171.04538	3.9
173.06091	2.4
174.01759	5.9
174.03096	1.6
175.02475	24.0
175.04018	8.4
177.05605	15.0
187.04056	6.0
187.07599	2.5
189.05595	8.8
190.06300	2.0
191.07140	16.7
203.03543	1.9
205.05132	2.1
206.05775	2.1
207.06621	4.5
215.07135	5.1
216.04205	3.4
217.05045	5.0
218.05858	7.8
221.04510	2.1
231.06505	2.0
234.86395	1.4
235.06075	1.6
259.06091	13.1
260.06226	1.6
261.04141	1.7
273.07449	1.6
291.08743	100.0
292.09067	12.9
293.06662	1.9
347.71347	1.0
353.08780	3.2
383.09665	3.1
409.52100	1.1
421.11478	2.0
453.14044	9.9
455.11932	18.1
456.11993	1.9
492.30368	1.2
497.12827	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	575.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	11.8
61.98817	2.6
70.60030	1.8
71.01396	2.8
73.02927	0.6
77.74117	0.4
83.01382	0.6
87.00836	0.6
89.02443	1.7
96.96018	0.7
101.02480	2.8
108.02186	4.4
109.02972	1.7
113.02448	1.2
115.04009	0.7
119.03509	0.7
121.99371	0.5
123.04496	1.2
152.01170	3.2
153.01892	0.8
153.05574	1.6
158.93637	0.5
161.04544	1.1
169.30316	0.6
179.05516	0.5
207.62657	0.5
235.08234	1.5
242.17482	0.5
253.09274	14.8
253.11821	1.0
254.09662	0.8
279.23276	100.0
280.23615	11.1
438.87735	0.5
575.28668	4.3
576.29395	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25309	0.7
55.01878	3.6
57.03448	13.7
58.00593	0.8
59.01381	40.4
61.98825	5.8
65.00340	0.8
67.01892	7.6
68.99806	1.3
69.03461	5.9
69.36938	0.6
69.46066	7.4
71.01388	22.7
71.05026	1.1
71.32864	0.8
72.99306	3.3
73.02954	7.4
75.00876	4.1
79.95744	4.8
80.96544	1.5
81.03468	1.3
83.01396	30.7
83.05042	1.6
84.02166	2.5
85.02959	100.0
86.03297	2.5
87.00884	5.0
87.04544	1.0
88.98806	0.8
89.02455	8.5
89.03983	1.2
93.03481	1.2
95.01413	2.4
95.95299	0.7
96.28992	0.7
96.96023	76.4
97.02975	2.2
97.95901	0.8
98.95621	3.5
99.00867	4.2
99.04536	2.1
101.02456	13.3
108.02197	2.9
109.02976	4.2
109.06625	0.6
111.00896	89.7
111.08186	0.9
112.01257	2.9
113.02467	14.6
115.04037	1.5
117.03483	7.3
119.03505	2.6
119.05074	2.0
120.01294	1.1
121.02967	1.1
123.04519	1.3
124.01627	0.9
125.02470	3.5
129.01959	37.4
130.02267	1.2
131.03511	1.3
132.02222	4.8
133.03004	0.9
134.03758	71.2
135.03030	1.8
135.04156	3.4
137.02446	4.4
138.67148	0.7
138.97118	2.5
143.03505	2.9
145.02963	1.7
147.02979	1.1
147.04565	1.0
148.05321	0.8
149.04796	1.1
149.06100	13.8
150.03203	1.1
150.97116	1.2
151.00438	1.0
151.04034	1.5
152.01158	1.5
153.01973	2.0
154.99896	1.9
158.03706	0.8
159.03091	0.8
160.01680	34.4
161.02495	5.2
161.04575	12.6
161.09799	0.8
162.03217	3.1
163.04044	2.9
164.04840	0.7
164.98605	0.8
165.05563	1.0
167.03494	2.5
174.06879	0.9
175.04016	54.2
176.04478	3.5
177.05626	1.7
178.02740	3.0
178.99951	0.6
179.05646	2.2
180.98219	1.2
185.00900	3.4
187.02510	12.0
187.04048	1.3
188.04781	1.1
189.05643	1.7
190.06389	0.7
191.01932	1.1
191.07195	0.9
193.05072	78.0
194.02225	1.0
194.05412	5.8
200.04810	1.6
202.06354	2.7
205.03539	23.8
205.05399	1.6
206.03812	0.8
217.05080	1.9
217.08745	3.8
218.05847	5.5
223.04550	12.3
227.16692	0.7
228.04298	2.2
230.94943	0.8
233.08160	8.3
234.08476	0.9
241.00269	4.4
242.00398	0.9
243.06628	3.9
243.63705	0.8
246.05215	1.0
249.06158	1.1
255.02890	1.4
261.07657	29.0
262.08011	2.8
267.07193	2.0
271.02457	3.5
281.13977	3.1
287.05707	1.1
291.11838	0.7
299.02005	4.3
300.02722	4.7
301.03400	3.6
304.07101	1.6
305.06772	3.7
337.09311	8.7
338.09518	0.9
353.19440	0.7
353.23468	1.4
363.20154	1.9
369.08502	0.9
381.08243	2.8
389.25378	1.8
399.09326	11.8
399.17160	0.9
400.09555	1.5
407.10156	3.9
421.08105	2.0
445.07486	2.0
447.09335	3.9
455.26282	0.8
495.24469	1.2
497.27490	1.0
510.15930	2.1
515.28448	5.9
517.21295	1.6
531.08704	0.9
533.28809	3.4
537.32471	1.2
539.34491	1.2
542.73132	0.8
574.25922	1.2
575.14044	6.4
575.27368	70.8
576.27887	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32647	0.4
57.03436	1.2
59.01378	17.0
61.98832	1.6
71.01385	5.9
71.72333	0.7
72.99326	1.7
73.02943	1.5
75.00878	1.8
78.95906	1.8
79.95741	6.9
80.96513	2.9
83.01396	1.2
85.02959	4.5
87.00878	1.5
89.02458	1.7
95.95240	1.7
96.96021	100.0
97.95963	0.9
98.95605	3.4
98.96473	0.6
99.00890	0.6
101.02444	3.3
103.00387	7.1
113.02482	2.9
117.01924	0.5
117.55880	0.4
120.01257	0.4
125.02397	0.4
129.01939	0.7
134.03795	0.5
138.97086	1.4
141.54034	0.4
148.05298	0.7
152.01819	0.6
152.98642	1.3
153.01959	0.5
160.01639	0.7
164.98653	4.9
165.05586	1.1
172.09836	0.7
175.04073	1.1
180.98141	2.1
188.04921	0.5
191.01996	1.4
241.00270	5.9
242.00623	0.6
249.06256	1.1
256.99707	0.7
267.07312	0.9
321.08398	1.4
382.20905	0.8
397.09738	0.8
425.14554	0.6
469.12930	1.2
469.18045	1.3
487.18512	66.8
488.18900	8.5
493.19318	1.0
529.19531	36.7
530.19836	4.8
550.81830	0.5
573.18561	63.8
574.18988	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	573.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.4
57.03439	0.8
58.00604	0.3
58.35101	0.2
59.01380	7.9
61.61050	0.2
61.98816	1.4
69.03459	0.5
69.81268	1.6
71.01386	3.4
72.99315	0.7
73.02944	1.7
75.00877	0.7
79.95744	3.6
80.96522	2.1
81.51307	0.2
83.01388	0.5
85.02951	2.5
87.00887	0.8
89.02457	0.9
95.95248	1.7
96.96021	74.4
97.02917	0.3
98.20605	0.5
98.95605	0.3
99.00877	0.5
99.04536	0.4
101.02457	1.8
103.00395	0.7
111.00895	0.5
113.02477	1.8
116.92860	0.5
119.03525	0.3
122.97580	0.6
131.03497	0.9
134.03838	0.2
135.04536	0.3
135.11823	0.2
138.97099	2.7
143.03479	0.3
149.04559	1.3
150.97098	1.1
152.98605	0.3
161.04518	0.4
164.98660	0.3
168.98082	0.3
177.04022	0.4
179.10728	1.3
180.98111	0.6
185.00870	0.4
191.05643	0.3
198.99205	1.0
205.12338	0.8
219.00562	0.2
222.99220	0.4
223.09734	0.6
225.00729	0.3
240.97922	0.5
241.00221	5.3
242.00574	0.3
256.99738	0.7
263.07742	0.3
267.07190	0.3
281.08670	1.6
306.86856	0.2
323.35312	0.2
337.12939	0.7
355.10376	0.3
469.20819	1.5
477.27335	0.4
485.20563	6.4
486.21194	1.2
487.17642	0.5
510.19922	0.3
513.19354	0.4
515.21643	19.7
516.21924	2.2
529.19214	0.5
543.24719	2.5
544.25061	0.7
573.25891	100.0
574.18170	0.5
574.26190	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	571.2893
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
56.29409	0.3
61.77508	0.3
61.98835	0.3
62.96398	0.3
63.52591	0.3
71.05119	0.6
78.95908	60.2
96.96970	12.7
117.50537	0.3
120.32458	0.3
134.98518	0.3
150.98074	0.5
152.99609	53.6
153.99959	1.0
155.84195	0.3
188.60104	0.3
223.00131	1.8
225.10690	0.3
241.01189	31.2
242.01550	1.1
255.23285	71.1
256.23618	6.7
259.02222	0.4
315.04849	8.2
316.05276	0.6
333.05685	0.3
391.22504	4.3
392.22534	0.4
571.28906	100.0
572.29193	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	571.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30405	0.9
59.01378	100.0
59.98510	0.9
61.98580	0.7
61.98832	8.5
71.01378	2.0
71.72878	0.8
78.91888	1.4
78.95898	1.4
83.17414	0.7
101.02486	2.5
129.89449	0.8
132.11832	0.9
152.99568	1.2
203.38094	0.8
251.11337	4.3
255.23248	2.0
267.75067	0.8
277.21716	51.5
278.22070	6.0
571.28589	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	573.147
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08973	1.2
52.13989	1.1
57.03447	1.4
59.01381	9.4
61.98824	3.8
68.99840	1.5
70.87310	2.6
70.87682	2.6
71.01389	4.4
72.79079	1.2
72.99310	3.5
73.02959	2.3
75.00875	2.2
79.95751	2.8
81.26399	1.1
83.01386	14.0
85.02953	4.9
89.02475	1.5
96.96021	36.0
98.95607	9.7
98.96471	1.8
99.00878	7.9
101.51212	1.2
103.00386	1.8
108.02194	3.5
111.00889	7.7
113.02464	1.8
115.00394	9.4
120.01298	1.4
123.04546	5.5
127.00385	2.2
129.01962	1.5
131.05045	5.0
134.03738	6.9
136.05290	1.5
137.02440	1.6
139.00400	7.5
147.04518	2.2
148.05324	63.7
149.02443	1.8
149.05984	4.9
150.03230	1.6
157.01434	5.4
160.01662	3.9
161.02441	7.4
161.06055	1.4
161.08237	1.2
162.03239	12.9
163.04001	2.8
163.06293	2.2
163.07664	37.1
164.04800	5.4
165.05458	1.7
173.06067	3.6
174.03296	2.5
175.04022	10.8
176.04761	3.6
177.01927	1.5
177.05592	22.9
179.07184	3.2
186.06870	5.3
187.04050	1.9
188.04807	4.3
189.05577	3.8
190.44223	1.2
191.07144	2.8
192.04279	4.5
194.02240	1.9
195.06688	3.3
201.05589	4.5
202.02678	1.4
202.06396	4.7
203.03584	3.0
203.07187	1.5
204.04315	2.4
207.06648	37.7
208.06940	2.6
216.04329	2.7
217.05043	4.6
217.08701	4.0
219.06631	5.1
221.08195	2.6
223.06195	6.8
229.05014	1.5
230.05806	2.8
233.04359	1.3
235.06224	1.6
235.09720	1.3
241.00220	3.4
245.04486	1.7
245.08223	14.2
247.06142	10.9
248.06155	1.4
251.05598	100.0
252.05946	7.4
261.07684	3.8
263.09415	1.5
267.07086	1.8
273.03995	3.9
289.07254	5.8
291.05142	24.1
292.05322	2.2
305.06699	5.3
307.08145	5.7
325.25757	1.2
333.06177	40.8
334.06549	3.5
351.07230	29.0
352.07367	2.6
380.63800	1.4
395.09756	1.8
407.13718	1.4
413.10913	42.0
414.11182	4.3
439.12686	2.0
451.12753	2.3
453.09991	2.3
467.11923	3.4
486.17252	2.9
487.16962	12.0
488.17896	2.4
495.11383	22.0
496.11908	3.0
513.12433	3.0
529.18579	7.9
572.17273	1.9
573.17444	18.6
574.17932	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	571.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12114	0.4
57.03423	0.5
57.89664	0.5
59.01380	15.0
61.98839	0.6
65.69414	0.4
67.93299	0.4
70.09401	1.5
70.09831	1.5
71.01388	2.4
72.99314	0.5
73.02953	2.3
78.95873	0.7
79.95739	5.7
80.96521	3.1
83.01418	0.6
83.99936	0.5
85.02964	1.4
87.00900	0.9
89.02445	0.8
95.95267	0.8
96.96024	100.0
98.95594	0.6
101.02474	2.9
103.00385	9.0
113.02446	0.9
122.97594	0.6
138.97084	1.1
145.07832	0.5
150.03198	0.6
150.97105	0.8
152.98618	2.2
164.98665	7.0
180.98125	2.6
220.89676	0.5
241.00218	7.0
267.14398	0.5
277.45764	0.5
349.34415	0.5
467.15942	2.7
485.16980	98.3
486.17291	12.5
516.21899	0.5
527.17999	50.2
528.18311	6.9
571.17053	69.5
572.17279	11.7
576.81085	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	17.5
61.98824	2.1
63.09390	0.6
70.49030	2.4
71.01379	3.1
73.02946	2.5
79.95747	4.4
80.96519	2.3
85.02950	1.6
87.00861	1.1
89.02440	1.3
91.40449	0.7
96.96021	84.4
97.96008	0.7
98.95628	0.9
101.02429	2.9
103.00381	10.0
113.02460	1.1
119.03476	0.8
122.97592	0.9
124.52856	0.6
125.23263	0.6
150.03168	0.7
152.98647	1.3
153.09210	1.2
161.07205	4.0
164.98645	6.8
165.05560	1.7
175.08777	1.4
180.98112	1.9
189.06705	7.5
203.08257	2.6
235.39450	0.6
241.00209	5.7
305.11630	0.8
422.65387	0.6
467.16138	4.9
485.16956	88.8
486.17206	12.3
527.18091	55.7
528.18451	8.8
571.17035	100.0
572.17346	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74902	0.7
55.01855	1.0
57.03438	5.8
59.01379	16.3
67.01881	1.1
67.05521	2.6
68.99816	2.1
69.03465	6.3
70.89339	2.1
71.01386	17.4
72.99310	5.0
73.02956	1.3
75.00880	19.6
75.90942	0.7
79.95746	0.8
81.03452	1.3
83.01387	1.4
85.02956	22.7
86.03294	1.1
86.41515	0.7
87.00900	5.7
89.02444	4.4
91.04015	0.9
92.81681	0.7
94.89406	0.7
95.01410	5.7
96.96021	15.2
98.44501	0.8
99.00881	8.3
101.02458	1.3
103.00388	3.6
105.55264	0.8
111.00899	0.9
111.04531	28.1
112.04854	1.8
113.02458	30.1
114.02751	0.9
115.00390	1.6
117.01929	2.3
119.08671	0.8
120.01263	14.9
125.09741	4.8
129.01965	2.3
131.03497	0.9
142.03323	1.0
147.04503	0.8
164.07176	3.0
164.98592	1.0
169.08717	4.4
175.02509	2.4
181.08731	8.9
182.09093	1.0
199.08009	0.8
199.09795	3.3
205.07178	1.1
231.05070	6.0
249.06139	46.8
250.06526	1.8
267.07196	21.0
268.07526	1.6
302.10489	1.1
419.15582	13.6
420.15860	1.5
431.15585	66.8
432.15884	7.6
449.16626	100.0
450.16937	13.3
485.16919	10.5
527.18317	4.8
552.17566	6.3
570.09808	1.9
570.18671	31.2
571.18152	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	571.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93079	0.4
52.07617	0.4
57.03431	0.5
59.01378	13.9
62.45945	0.4
62.66716	0.4
69.62341	3.6
71.01376	2.4
72.51082	0.5
73.02946	2.0
79.95746	4.8
80.96519	3.4
85.02937	1.7
87.00880	0.7
88.19659	0.4
89.02461	0.4
95.95251	0.7
96.96019	100.0
97.95913	0.6
98.19875	0.6
99.04514	0.5
101.02444	2.4
103.00378	9.1
106.01663	0.4
113.02461	0.9
122.97569	0.6
138.97058	1.0
150.97084	0.9
152.98680	1.8
155.15619	0.4
161.23596	0.4
164.98634	6.0
180.57481	0.5
180.98137	2.8
198.99150	0.7
241.00226	6.9
283.01529	0.5
406.84055	0.4
467.16071	3.4
485.16953	93.6
486.17279	14.2
527.17999	51.6
528.18207	9.7
553.15881	1.3
571.17047	72.4
572.17383	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.1
57.03448	1.7
58.00584	1.4
59.01379	100.0
60.01721	2.3
61.98833	9.5
65.41487	0.5
65.94792	0.6
66.37383	0.6
69.03466	1.1
69.63992	4.7
69.78558	0.6
70.24674	0.6
71.01385	33.6
72.99329	2.3
73.02951	28.5
75.00893	1.8
79.95747	1.8
80.96505	0.8
81.03457	0.6
83.01397	8.9
85.02959	7.4
87.00881	3.2
88.04066	1.1
88.98820	1.1
89.02450	15.4
95.01404	2.4
95.95258	1.0
96.96022	18.0
97.02956	1.3
97.06598	0.8
98.95602	0.9
99.00893	1.2
99.04553	0.9
101.02456	30.0
109.02959	0.7
111.00932	0.7
113.02460	17.3
115.00444	0.9
119.03524	5.7
125.02460	1.8
128.03598	0.7
131.03531	2.5
132.03128	0.9
135.04561	2.7
137.02493	0.6
138.97124	0.7
143.03519	4.3
149.04585	5.7
155.03558	0.8
155.10818	0.7
161.04578	10.4
161.09647	0.7
179.05638	4.3
190.90373	0.6
193.01506	1.7
203.05737	1.4
205.12337	0.7
213.59671	0.6
221.06700	1.2
241.00264	1.5
251.12881	1.2
254.93330	0.7
297.10095	0.7
465.25232	0.8
507.21979	0.7
525.27582	0.8
526.26843	0.7
527.28137	0.7
569.16693	1.4
569.23804	4.0
570.26373	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	569.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70076	0.2
56.14456	0.2
59.01380	100.0
60.01715	1.3
61.98832	1.7
71.01384	1.7
71.30331	0.3
71.30665	0.4
73.02962	0.5
75.44368	0.2
79.95748	0.4
85.02979	0.9
87.00938	0.3
89.02466	0.6
95.95251	0.4
96.96023	2.7
101.02471	0.9
101.38174	0.2
107.63542	0.2
113.02474	1.2
113.45427	0.2
115.94978	0.2
128.47849	0.2
140.84302	0.2
161.04710	0.2
168.85109	0.2
169.74352	0.2
172.00101	0.2
404.24661	0.2
465.28793	1.2
483.29913	0.8
509.31110	0.2
525.30933	0.3
569.29694	1.1
570.31854	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.6
57.03436	1.1
58.00602	0.4
59.01379	17.1
61.98832	1.6
69.03448	0.4
70.80401	1.2
71.01380	6.5
72.99298	0.5
73.02942	1.9
75.00875	1.4
79.95743	5.3
80.96520	3.3
83.01387	0.9
85.02959	4.3
87.00884	1.6
89.02453	4.2
93.03497	0.7
95.01440	0.4
95.95234	2.0
96.55569	0.4
96.96021	100.0
98.95610	0.8
99.00891	0.9
99.04536	0.4
101.02441	3.7
103.00387	6.8
108.02208	0.7
111.00904	0.4
113.02460	3.1
115.00346	0.4
119.03497	1.0
119.05032	0.9
120.01303	0.5
120.96042	0.4
121.02991	0.7
121.06670	0.4
122.97586	0.7
123.04540	1.1
125.02424	0.8
125.09697	0.5
129.42299	0.3
130.92242	0.4
131.03516	0.4
131.07153	2.7
134.03745	0.6
136.01738	0.4
136.05234	0.4
137.02473	0.7
138.97125	1.5
139.00513	0.5
143.03545	1.1
145.02916	0.6
147.03047	0.5
147.77364	0.4
149.04599	0.6
150.03220	1.1
150.97113	1.1
151.04039	1.0
152.98676	2.3
153.77794	0.3
161.04590	0.8
163.04034	0.5
164.04889	0.4
164.98642	5.9
165.01877	0.8
165.05574	1.2
166.02783	0.3
166.05145	2.7
167.03506	0.8
171.10257	1.2
173.08192	1.4
177.04083	0.7
179.05670	0.8
180.98148	2.8
181.05069	0.9
191.01981	1.0
195.02963	0.7
195.06645	1.2
198.99146	0.4
204.98212	0.4
205.12329	0.5
207.06638	0.4
222.99219	0.7
241.00262	6.4
249.06020	0.7
267.07239	0.5
287.14990	0.4
341.21008	0.4
359.15039	0.5
373.12787	0.7
389.15274	0.5
393.11969	0.9
397.13681	0.8
403.05661	1.8
421.15021	1.4
423.12006	1.3
465.14392	2.6
466.14178	0.4
483.15390	58.9
484.15726	7.3
489.15756	0.4
507.15424	0.5
525.16321	33.4
526.16742	5.5
551.14313	1.1
569.15417	54.1
569.31226	1.4
570.17017	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	568.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70306	0.2
55.01873	0.3
57.03432	0.5
57.04810	0.2
59.01380	5.1
59.86859	0.2
60.01702	0.3
60.47221	0.2
61.98830	100.0
63.25471	0.2
71.01389	1.6
71.73478	0.3
72.99322	0.4
73.02953	0.7
75.00877	0.3
83.01402	0.2
83.05022	0.2
85.02963	1.1
87.00917	0.4
88.04053	0.2
89.02443	0.5
95.95213	0.2
96.96021	4.4
96.96603	0.3
98.95653	0.2
101.02467	0.8
108.04574	0.3
113.02476	0.7
125.02443	0.3
128.03540	0.3
132.03078	0.3
146.04646	0.3
147.74615	0.2
155.10930	0.2
161.04607	0.3
195.06693	0.3
225.05641	0.7
241.00328	0.3
249.99939	0.2
267.07303	0.3
268.12286	0.3
436.18823	0.4
475.18506	0.2
481.21255	0.2
508.35837	0.2
568.28619	0.6
568.73236	0.2
569.22217	1.0
569.31189	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.6
57.03436	1.1
58.00602	0.4
59.01379	17.1
61.98832	1.6
69.03448	0.4
70.80401	1.2
71.01380	6.5
72.99298	0.5
73.02942	1.9
75.00875	1.4
79.95743	5.3
80.96520	3.3
83.01387	0.9
85.02959	4.3
87.00884	1.6
89.02453	4.2
93.03497	0.7
95.01440	0.4
95.95234	2.0
96.55569	0.4
96.96021	100.0
98.95610	0.8
99.00891	0.9
99.04536	0.4
101.02441	3.7
103.00387	6.8
108.02208	0.7
111.00904	0.4
113.02460	3.1
115.00346	0.4
119.03497	1.0
119.05032	0.9
120.01303	0.5
120.96042	0.4
121.02991	0.7
121.06670	0.4
122.97586	0.7
123.04540	1.1
125.02424	0.8
125.09697	0.5
129.42299	0.3
130.92242	0.4
131.03516	0.4
131.07153	2.7
134.03745	0.6
136.01738	0.4
136.05234	0.4
137.02473	0.7
138.97125	1.5
139.00513	0.5
143.03545	1.1
145.02916	0.6
147.03047	0.5
147.77364	0.4
149.04599	0.6
150.03220	1.1
150.97113	1.1
151.04039	1.0
152.98676	2.3
153.77794	0.3
161.04590	0.8
163.04034	0.5
164.04889	0.4
164.98642	5.9
165.01877	0.8
165.05574	1.2
166.02783	0.3
166.05145	2.7
167.03506	0.8
171.10257	1.2
173.08192	1.4
177.04083	0.7
179.05670	0.8
180.98148	2.8
181.05069	0.9
191.01981	1.0
195.02963	0.7
195.06645	1.2
198.99146	0.4
204.98212	0.4
205.12329	0.5
207.06638	0.4
222.99219	0.7
241.00262	6.4
249.06020	0.7
267.07239	0.5
287.14990	0.4
341.21008	0.4
359.15039	0.5
373.12787	0.7
389.15274	0.5
393.11969	0.9
397.13681	0.8
403.05661	1.8
421.15021	1.4
423.12006	1.3
465.14392	2.6
466.14178	0.4
483.15390	58.9
484.15726	7.3
489.15756	0.4
507.15424	0.5
525.16321	33.4
526.16742	5.5
551.14313	1.1
569.15417	54.1
569.31226	1.4
570.17017	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	568.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41221	0.2
57.03447	0.4
59.01376	3.5
59.19659	0.2
60.01710	0.4
61.01791	0.2
61.98831	100.0
71.01384	1.7
71.72951	0.2
72.01704	0.2
72.99326	0.2
73.02965	0.4
75.00890	0.7
79.95747	0.8
80.94608	0.2
83.01408	0.2
85.02966	2.3
87.00905	0.2
88.98815	0.2
89.02451	1.6
90.02819	0.4
91.02890	0.3
95.95236	0.4
96.96025	9.5
98.95572	0.4
99.00836	0.2
101.02441	1.0
102.02782	0.2
103.00404	0.4
103.02898	0.2
111.00924	0.2
113.02471	0.5
117.78244	0.2
120.01268	0.6
121.02942	0.2
129.01978	0.2
131.03532	0.4
134.03813	0.3
139.04033	0.2
147.03036	0.3
149.04535	1.0
150.03279	0.7
150.04941	0.3
151.05037	0.4
164.98654	0.4
165.05615	0.5
166.05109	0.2
167.03546	0.2
191.02008	0.5
195.06677	0.3
209.03104	0.4
225.00772	0.4
225.07806	0.2
241.00284	0.6
267.07291	0.4
293.80188	0.2
421.15369	0.4
465.14502	0.4
482.14087	0.2
483.15262	1.5
488.15884	0.3
508.27689	0.3
524.27625	0.3
525.16431	2.2
568.13684	1.5
568.22424	0.3
569.14551	3.2
569.30139	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13923	0.2
51.41539	0.3
53.32734	0.3
55.01884	0.3
55.46101	0.2
57.03442	0.9
59.01377	8.4
60.01713	0.3
61.98833	7.4
69.03445	0.4
69.39252	3.0
71.01389	5.5
72.01754	0.3
72.99308	0.6
73.02963	1.3
75.00874	0.8
79.95745	4.7
80.96522	1.1
83.01392	0.7
85.02959	5.2
87.00868	0.9
89.02456	3.3
90.02797	0.4
91.39225	0.3
93.03479	0.3
95.01367	0.4
95.94656	0.2
95.95240	4.9
96.96022	100.0
97.02962	0.3
97.95961	0.2
98.95617	0.3
99.00919	0.7
101.02457	3.1
103.00401	0.7
110.97590	0.9
111.00889	0.3
113.02472	1.6
116.92870	0.5
119.03512	0.5
120.01262	0.5
120.99616	0.3
121.02965	0.3
122.97607	2.0
125.02444	0.3
131.03535	1.3
134.03735	0.3
135.04547	0.6
138.97069	1.5
142.39594	0.3
143.03494	0.4
147.03012	0.7
147.04277	0.2
148.05319	2.6
149.02632	0.3
149.04594	2.6
149.05711	0.4
150.03210	0.4
150.04993	0.4
150.97102	0.3
151.00546	0.3
151.97899	2.1
152.98602	0.7
153.17993	0.3
158.79465	0.2
161.04590	0.6
163.07680	1.5
164.05020	0.2
164.98645	0.3
165.05560	0.8
174.01733	0.4
180.98146	2.1
181.05002	0.3
191.01970	1.3
191.05664	0.4
206.99655	0.4
209.03023	1.2
209.11778	0.3
223.06229	0.3
225.00755	14.2
226.00932	0.8
227.12849	0.5
239.99446	1.6
241.00243	2.8
255.52141	0.3
256.99756	0.3
267.07147	0.4
283.01263	0.3
287.15005	0.5
327.08713	0.3
362.16830	0.4
363.17352	0.8
375.05951	0.4
395.74216	0.3
403.05533	9.6
404.05896	0.9
419.13412	0.3
481.13943	1.1
505.10840	0.3
506.26599	0.5
507.27292	0.8
523.14941	1.4
523.27307	2.5
524.28137	0.5
567.13892	63.5
567.21045	2.8
568.14227	10.5
568.22339	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98516	0.3
64.45561	0.1
78.95908	3.2
80.96537	0.2
82.37162	0.1
91.03435	0.1
96.96996	0.3
97.43589	0.1
99.92589	0.2
109.26519	0.1
115.92097	0.3
116.92838	0.2
118.36005	0.2
152.99599	4.9
153.00813	0.3
171.00658	1.3
227.03331	0.3
245.01761	0.3
245.04288	5.4
253.17677	0.2
253.21715	3.1
254.22107	0.3
258.92212	0.1
338.19501	0.3
418.91556	0.2
481.25690	7.7
482.26071	1.3
484.28076	0.2
566.23560	2.0
567.28967	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61249	0.3
57.03445	1.5
58.00576	0.5
59.01377	8.7
61.98837	0.8
68.99769	0.4
69.83250	2.7
71.01382	5.7
72.99313	1.2
73.02956	1.1
73.91638	0.4
75.00875	1.0
79.95744	7.7
80.05072	0.5
80.06717	0.4
80.96528	1.8
81.05396	0.4
83.01414	0.6
83.05066	0.4
85.02956	7.5
86.03284	0.6
87.00877	1.6
89.02447	4.4
95.01387	0.9
95.95230	2.2
96.96019	82.1
98.95608	0.7
99.00883	0.9
101.02449	3.0
103.00362	0.8
106.06657	0.9
110.97560	2.3
111.00918	1.2
113.02447	2.1
113.80114	0.4
115.00420	0.5
116.57690	0.4
119.03519	0.6
119.05050	0.6
120.01264	1.0
121.02985	0.7
122.06155	0.5
122.97588	1.1
123.06479	0.4
124.01706	0.5
125.02452	0.4
129.01920	1.5
132.04570	0.5
133.02948	0.6
134.03720	1.3
135.04506	1.6
137.02423	0.5
138.97084	6.6
143.03461	0.5
147.02992	0.7
148.01741	0.5
148.04050	3.3
148.05190	0.6
149.04398	1.3
149.06061	1.2
150.03239	0.5
150.97079	1.7
161.02455	1.3
163.04002	1.0
163.07629	0.5
164.04878	0.5
164.98706	0.6
165.01993	0.8
166.05051	1.7
167.05438	0.5
168.98161	0.9
173.00906	0.5
175.04079	0.6
176.04753	0.6
177.05588	2.1
178.07925	0.4
179.05611	0.6
180.98169	1.1
181.05122	0.8
187.03984	0.4
188.04785	0.8
189.05504	0.7
191.02011	3.2
191.07112	1.0
193.05124	0.5
195.06641	0.6
198.99193	4.6
201.05528	0.5
202.06435	1.0
203.03542	0.5
203.07130	0.5
204.04253	0.5
205.05078	0.9
207.10168	0.4
209.02966	1.4
217.08722	0.7
218.05818	1.1
219.06470	0.7
221.04695	0.4
225.00795	0.5
230.05879	2.5
233.08263	1.7
235.06142	0.6
241.00243	9.7
245.08189	4.7
246.08490	0.6
247.06067	0.8
259.01245	6.0
263.09393	0.5
263.30722	0.4
268.16986	0.4
277.07272	0.5
307.08054	1.0
315.12259	0.7
327.09787	0.7
328.09940	0.7
329.11365	0.4
345.10928	0.9
346.11264	1.8
369.07941	0.4
369.13052	0.5
461.15302	0.5
479.16312	1.5
481.12555	2.0
488.15363	0.9
505.14221	1.1
522.15277	0.4
523.15222	6.6
524.15643	0.7
567.10199	100.0
568.10400	14.1
578.74542	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.1422
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.5
59.01376	10.0
61.98836	1.7
65.34415	0.6
70.06390	1.8
70.06806	1.8
71.01386	3.1
73.02942	1.3
79.95741	1.9
80.05064	6.8
85.02970	5.7
89.02483	1.4
89.58646	0.6
93.03477	0.7
96.96026	19.9
98.19977	1.4
98.93616	0.6
98.95557	0.7
99.00928	0.8
101.02480	1.7
103.00396	1.4
104.05086	10.7
105.05397	0.8
106.06636	17.4
107.06983	1.0
108.08208	7.1
113.02440	1.6
115.00396	1.1
119.03532	0.6
120.04575	4.4
120.66496	0.6
120.91113	0.7
122.06141	12.4
128.34659	0.7
129.01965	1.6
132.04573	19.0
132.08191	1.7
134.06140	10.1
134.09782	3.3
135.04596	0.7
138.05618	0.7
146.06120	0.9
147.03011	0.8
148.04066	98.2
148.07652	1.6
149.04433	5.2
150.03307	0.7
152.07201	10.9
155.10822	0.8
164.98657	0.7
165.05525	0.7
166.05113	40.8
167.05437	2.3
168.06921	2.5
176.03546	1.4
178.05095	12.3
181.05023	0.7
183.09274	5.6
190.05212	0.7
191.01991	2.7
192.03015	1.9
195.06691	1.8
199.12453	2.8
204.06624	0.7
209.02983	1.6
210.04114	3.0
210.07951	1.4
211.08812	1.7
212.10825	0.9
213.10320	4.9
223.08752	0.7
224.09518	5.0
225.00725	1.4
225.10307	8.2
226.10872	1.0
227.12822	2.0
229.09705	0.9
239.11864	7.4
240.12231	1.2
241.00209	1.5
241.13448	2.9
249.10335	1.3
255.07678	1.2
256.99582	0.8
257.12875	1.8
265.09631	0.7
267.07449	0.8
267.11322	3.2
283.10934	6.2
284.11237	0.9
285.12421	5.4
286.12650	1.1
287.15076	2.8
299.10464	1.4
301.11932	4.8
309.08939	1.0
309.12509	1.6
311.10321	2.5
327.09894	30.2
327.13406	2.0
328.10095	3.9
329.11444	9.5
330.11731	1.4
345.10922	54.4
346.11234	6.4
353.11459	2.1
362.51999	0.7
371.12482	4.0
376.13251	1.3
388.13242	0.9
419.19055	0.8
434.17191	1.0
442.13870	1.4
460.15161	12.8
461.15314	2.3
478.16177	21.6
479.16464	4.6
481.13977	2.5
486.13229	2.4
504.14108	26.9
505.14459	4.1
522.15143	100.0
523.15234	21.5
523.27106	1.0
566.20453	4.5
566.28534	0.9
567.13458	2.7
567.21185	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	565.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.5
57.03453	3.0
58.00599	1.3
59.01378	22.7
67.01875	0.8
68.99823	0.8
69.03444	1.0
71.01385	24.7
71.18804	0.9
72.01725	0.6
72.99312	3.6
73.02957	3.1
75.00878	12.2
79.95748	0.7
83.01392	1.4
85.02959	17.8
86.03297	0.6
87.00877	5.2
88.04017	0.7
89.02451	10.3
93.03458	0.9
95.01384	3.2
95.95172	0.5
96.96028	9.2
98.95657	0.5
99.00895	6.9
101.02451	1.7
103.00353	1.3
109.03011	0.7
111.00877	0.8
113.02461	14.4
114.02750	0.8
115.00388	1.4
117.01955	1.4
119.03527	0.5
121.10236	1.2
124.01761	0.5
125.02437	0.5
129.01955	1.6
131.03522	1.3
160.04063	0.5
162.60747	0.5
165.09189	1.0
167.10828	3.1
167.31104	0.6
172.30283	0.5
173.84669	0.5
175.02513	1.3
183.10316	0.8
191.02002	0.7
195.06607	0.5
205.07144	0.5
209.03026	0.9
225.00893	0.8
231.05136	0.6
245.09380	1.2
249.06151	10.5
250.06509	0.6
267.07166	3.0
283.10944	1.0
286.64377	0.5
290.93954	0.6
315.14743	1.1
328.09143	0.5
403.11649	1.1
417.17838	1.8
479.15906	2.8
521.17694	1.0
521.25391	0.7
547.20758	0.6
565.21490	100.0
566.21826	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	565.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.1
55.41884	0.3
57.03450	2.6
58.00591	0.6
59.01379	67.2
60.01706	0.9
61.98832	6.1
62.38660	0.3
67.01900	0.3
67.45138	0.3
67.49608	0.3
69.03455	1.1
69.79531	2.4
71.01387	18.6
72.99300	0.9
73.02950	4.6
74.20463	0.3
75.00885	0.9
79.95747	14.8
80.96527	2.7
83.01395	2.8
84.02147	0.5
85.02959	11.7
86.00106	0.6
86.03304	0.4
87.00889	1.6
87.04510	0.4
88.98786	0.4
89.02456	5.3
93.03523	0.3
93.77067	0.3
95.01393	3.0
95.95239	2.4
96.96021	100.0
97.02946	0.9
97.06573	0.3
97.95956	0.6
98.20592	0.7
98.95581	0.6
99.00891	1.9
101.02457	10.2
103.00378	12.0
108.76794	0.3
109.02959	1.2
111.00881	0.7
113.02460	10.4
113.68186	0.3
114.02811	0.5
115.00333	0.4
116.92867	2.2
119.03503	1.7
120.96053	0.4
121.02898	0.3
122.97608	0.4
123.08205	0.4
125.02430	1.3
127.31908	0.3
129.01941	0.5
135.04536	0.9
138.97108	1.1
139.00395	0.4
139.11269	0.5
143.03532	1.5
147.04472	0.4
149.02446	0.4
149.09619	0.4
150.97107	1.8
151.00336	0.5
152.01201	0.7
152.98637	1.9
153.01955	1.6
155.10786	0.5
157.01453	0.4
157.12361	0.6
159.02985	0.8
161.04562	2.3
164.04808	0.4
164.98659	2.3
165.12892	0.5
175.02519	0.7
175.68079	0.3
180.98164	2.2
183.13924	1.2
184.91277	0.3
185.17047	0.3
187.13379	0.8
191.01950	0.8
194.99644	0.4
201.15002	0.7
205.05055	0.4
209.02930	0.4
222.99281	0.5
241.00240	4.2
242.82640	0.4
249.06264	0.4
256.99738	0.9
271.19089	0.4
343.28592	0.4
359.28220	0.8
361.29486	4.5
433.24387	1.5
461.18237	1.8
475.32007	0.7
479.19553	96.5
480.19885	14.9
491.15515	0.4
504.32474	1.9
505.33777	51.9
506.34174	5.3
521.20599	43.4
522.20935	7.3
522.32904	0.6
523.34814	12.7
524.34918	1.4
547.18323	1.1
565.19604	81.5
565.35358	2.8
566.19965	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	565.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29806	0.3
51.41050	0.3
55.01881	0.7
57.03453	2.3
57.40373	0.4
59.01378	38.9
60.01713	1.0
61.01795	0.4
61.98524	0.5
61.98831	8.0
69.03465	0.5
69.72511	1.9
69.72940	1.1
71.01388	10.5
71.05022	0.4
71.65011	0.4
72.99299	1.0
73.02946	2.6
75.00876	1.0
78.95901	0.7
79.95744	8.2
80.96529	3.3
83.01390	2.0
83.05025	0.7
85.02956	7.4
86.03339	0.4
87.00888	1.1
88.98799	0.5
89.02457	2.5
92.85497	0.3
94.98179	0.3
95.01408	1.1
95.95243	4.8
96.64291	0.3
96.96020	100.0
97.02957	0.7
97.06558	0.4
97.95940	0.5
98.95612	2.1
98.96359	0.3
99.00878	1.3
101.01797	0.5
101.02450	6.4
101.11700	0.3
103.00385	7.6
109.02952	0.7
111.00928	0.9
113.02452	4.9
114.02817	0.5
115.00381	0.5
116.92873	3.2
119.03526	0.8
120.96095	0.4
121.02943	0.4
122.97575	0.5
123.04541	0.5
125.02465	0.7
129.01962	1.5
131.03447	0.7
137.02499	0.6
138.97083	1.6
143.03499	1.3
145.02951	0.5
147.60948	0.3
149.02400	0.6
150.97060	1.5
152.98656	1.3
159.02995	0.8
161.04591	1.5
164.98621	3.1
165.05557	0.6
167.03500	0.4
169.23917	0.3
175.03976	0.4
177.04105	2.1
179.10863	0.3
180.98172	1.7
191.01906	0.7
195.14032	0.3
225.00771	0.9
241.00214	5.1
249.06351	0.4
256.99762	2.7
271.02466	0.4
315.25473	0.7
328.02277	0.7
329.03067	0.7
343.28082	0.4
356.26031	0.4
361.29706	1.3
435.80835	0.4
461.18512	1.5
461.30933	3.3
475.08804	1.4
479.19559	61.9
480.19934	8.4
503.32010	0.6
504.32565	2.7
505.33737	20.2
506.34100	2.4
521.20612	26.4
522.20868	4.1
522.33276	1.2
523.34808	3.6
547.18622	0.7
554.58246	0.4
564.71307	0.4
565.19501	42.9
565.27039	53.6
566.19897	6.8
566.27386	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	565.0489
Annotation	UDP-Galactose
Peak:m/z	Relative Intensity
52.01874	0.2
59.01369	0.3
62.96412	1.0
70.31753	1.0
73.02947	0.2
78.95910	100.0
85.02976	0.5
87.00889	0.5
96.96049	6.2
96.96972	37.4
98.95576	0.3
111.02017	9.1
113.02515	0.4
115.87128	0.2
118.94209	0.4
120.96984	2.0
134.91609	0.3
138.98045	3.3
150.98059	3.0
158.92554	15.4
162.97990	0.4
164.03540	0.4
168.99130	0.2
174.98032	1.1
176.93593	1.4
192.99120	1.3
204.99107	0.2
211.00143	4.9
223.00095	0.5
232.88422	0.2
241.01190	7.8
242.01489	0.3
254.85284	1.9
255.85561	0.2
259.02267	0.4
262.01151	0.2
272.95718	4.6
280.02277	2.4
292.82184	0.8
305.01868	1.2
320.97833	2.8
323.02856	60.2
324.03162	4.0
333.05991	0.3
384.98413	4.0
385.98380	0.3
390.76038	0.3
402.99533	1.9
405.54233	0.2
428.73416	1.1
565.04694	28.2
566.05011	2.9
566.12726	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.0293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.2
59.01378	2.6
59.20330	0.1
61.98842	0.6
69.03445	0.1
69.43726	0.7
69.44123	0.2
71.01392	1.6
72.01706	0.2
72.99300	0.1
73.02946	0.3
74.02467	0.2
75.00873	0.1
76.81420	0.1
79.95750	0.1
80.96531	0.1
83.01405	0.2
85.02969	0.9
87.00923	0.2
89.02452	1.3
90.02802	0.2
95.95223	0.1
96.95393	0.1
96.96022	2.4
99.00885	0.1
99.92594	8.4
100.92611	0.4
101.02453	1.0
102.02760	0.1
109.03001	0.1
111.00877	0.1
113.02460	0.5
114.93442	0.2
116.92875	100.0
117.92885	6.2
119.03485	0.2
121.02933	0.4
122.03749	0.2
125.02467	0.2
129.01945	0.2
131.03514	0.4
132.03802	0.1
147.02989	0.1
149.04572	1.3
150.04926	0.3
151.00397	0.2
163.00410	0.1
165.04178	0.1
165.05536	0.5
178.99811	0.2
183.14061	0.1
191.01949	0.1
191.05605	0.1
232.78082	0.1
235.76733	0.1
241.00288	0.4
243.03052	0.2
255.02869	0.4
269.14081	0.1
271.02463	0.6
283.01474	0.1
299.01904	0.3
300.02756	1.6
301.03452	1.0
320.37018	0.1
328.13138	0.1
340.12009	0.1
340.62119	0.1
341.12766	0.3
342.09900	0.2
343.15576	0.2
346.14288	0.2
353.94788	0.2
354.95590	0.2
361.16556	1.2
382.95053	0.2
433.20398	0.1
447.09369	2.1
448.09692	0.3
461.27591	0.1
477.14038	0.2
479.15875	0.1
504.25739	0.1
505.20691	2.1
506.20865	0.2
520.27570	0.1
521.17163	0.1
521.27698	0.1
523.21814	1.0
547.01776	1.5
548.01733	0.2
564.22888	0.1
565.13257	0.1
565.22064	0.6
566.21991	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	564.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04535	0.5
55.01866	0.6
57.03449	1.0
59.01380	70.1
60.01715	1.5
61.98831	100.0
65.15603	0.5
66.35138	0.5
68.78193	0.5
69.03453	1.1
71.01387	8.3
71.73437	0.9
73.02950	2.7
75.00889	2.0
78.95921	1.6
79.95744	2.2
83.01395	1.3
85.02957	4.6
87.00895	1.1
88.04068	0.6
89.02466	1.9
95.01394	0.9
95.95255	2.8
96.56665	0.6
96.96021	25.6
98.95625	1.2
99.00913	1.9
99.04509	0.7
101.02471	3.7
102.64613	0.5
113.02480	4.0
114.05500	0.5
116.92908	1.4
118.82962	0.5
121.02963	1.1
135.11783	0.7
143.03519	0.8
159.03069	0.7
161.04668	0.9
176.80611	0.5
177.04094	2.4
178.04492	0.8
179.10841	0.9
191.02065	0.7
197.04546	3.4
223.05611	0.5
241.00336	1.7
249.06180	0.9
251.16525	1.3
256.99808	1.8
263.11716	0.5
267.07315	0.7
283.22845	0.6
336.32614	0.6
415.23419	3.9
433.19086	0.6
457.24460	4.8
458.24744	1.1
460.30090	1.2
461.31174	2.0
479.19766	3.2
479.32632	0.8
484.64670	0.6
501.23285	7.0
502.23901	2.0
503.32382	1.0
504.32614	2.1
505.34000	2.9
521.20294	1.4
522.33539	1.2
563.34100	1.1
564.15106	1.3
564.25848	12.7
564.34753	3.3
565.02588	1.3
565.19653	2.7
565.27527	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	563.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41887	0.2
55.01873	1.4
57.03449	3.6
57.68301	0.2
58.00604	1.1
59.01380	100.0
60.01723	1.3
60.01982	0.2
60.99301	0.2
61.98834	3.8
67.01877	0.2
68.99829	0.4
69.03467	1.2
70.29939	0.3
70.30306	0.8
71.01388	33.7
71.05034	0.5
71.84053	0.2
72.01734	0.7
72.99318	2.0
73.02955	7.9
75.00886	0.8
79.95760	1.0
81.03477	0.2
83.01395	3.5
84.02164	0.4
85.02960	17.2
86.00124	0.6
86.03304	0.4
87.00892	1.9
87.04534	0.5
89.02452	11.2
93.03487	0.2
95.01399	4.0
95.05006	0.2
95.95235	0.7
96.29269	0.2
96.96024	11.1
97.02969	1.3
97.06606	0.6
98.19909	0.2
98.20462	0.3
98.95610	0.7
99.00897	3.0
99.04545	0.3
99.92589	0.4
101.02460	15.1
102.02798	0.5
103.00394	0.3
106.06726	0.2
106.97694	0.2
108.37427	0.2
109.02994	0.2
111.00895	1.2
111.08195	0.3
112.01709	0.6
112.13098	0.2
113.02467	20.5
113.09736	0.4
114.02818	0.4
115.04032	0.3
115.92078	0.3
116.92871	0.7
119.03529	3.3
119.05003	0.2
120.01292	0.5
123.04484	0.2
123.08182	0.5
124.01718	0.7
124.51109	0.2
125.02467	1.8
127.11299	0.7
129.01990	0.7
131.03514	0.7
134.03775	0.2
135.04552	0.3
137.02492	0.6
137.09735	1.9
139.00397	0.3
139.11357	0.2
141.01984	0.2
143.03522	2.7
149.04591	0.6
150.97101	0.2
151.00618	0.2
153.01855	0.2
153.12874	0.7
154.99808	0.2
155.10803	2.0
157.12357	0.9
159.02982	1.1
160.04144	0.2
161.04579	4.4
165.01939	0.2
165.05568	0.2
167.03577	0.3
169.12440	0.3
171.10359	0.2
171.13907	0.3
175.04008	0.3
177.04129	0.2
179.05646	0.6
183.13954	0.4
185.11824	0.2
187.13422	0.6
191.02014	0.5
191.03586	0.2
195.06644	0.4
197.15532	0.3
201.14966	1.9
203.12839	0.2
211.13438	0.4
213.18762	0.3
217.14473	0.3
221.76534	0.2
229.14494	0.5
230.15227	1.0
231.15970	0.3
241.00250	0.5
248.62065	0.2
253.09312	0.9
256.99823	0.3
258.92914	0.2
271.22827	0.5
276.17444	0.2
277.18130	0.6
295.10965	0.2
301.03448	0.2
311.25967	0.4
317.15961	0.3
327.21747	1.6
333.19202	0.2
335.17023	0.3
339.10010	0.3
339.25531	0.2
341.26968	1.9
342.27359	0.3
357.26309	0.3
359.28043	9.6
360.28375	1.2
383.28265	0.3
401.29401	0.5
429.28687	0.4
433.28137	1.6
455.30151	0.9
467.30103	0.6
473.31284	0.8
477.18338	0.5
485.31241	1.2
488.14633	0.5
503.32227	87.5
504.32605	15.9
519.15320	0.3
519.19983	0.3
521.33264	31.5
522.33643	5.6
532.13257	0.5
545.33167	1.4
546.34052	0.3
563.21808	5.0
563.34387	4.5
564.22101	0.8
564.34967	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85399	0.3
54.29184	0.2
55.01878	0.8
57.03446	4.5
58.00599	1.1
59.01379	100.0
60.01716	1.6
61.01806	0.4
61.98833	7.0
68.88148	0.3
68.99809	0.3
69.03449	1.9
71.01387	32.6
71.05032	1.1
71.73432	0.5
72.01729	0.7
72.99310	2.1
73.02954	8.7
75.00889	1.3
78.95903	0.5
79.95731	1.3
80.96535	0.5
83.01395	5.6
83.05031	0.4
84.02222	0.4
85.02961	18.8
85.06602	0.3
86.00110	0.5
86.03313	0.7
87.00887	3.0
87.04533	0.7
88.98817	1.0
89.02452	9.2
93.03462	0.5
93.07113	0.4
95.01385	3.4
95.05075	0.3
95.95260	1.0
96.96021	12.8
97.02962	1.7
97.06606	1.0
98.95610	0.6
99.00892	3.7
99.04558	0.8
101.02455	18.2
102.02782	0.5
104.99449	0.3
109.03014	0.4
111.00890	1.7
111.08173	0.6
112.01723	0.5
113.02464	20.1
114.02795	0.4
115.04032	0.5
116.92885	0.3
119.03519	3.9
119.05019	0.6
120.01284	0.4
121.10265	0.7
122.03759	0.3
123.08201	0.4
124.01711	0.8
125.02464	1.8
125.09689	0.4
126.66123	0.3
129.01949	1.2
129.09160	0.4
131.03523	0.9
134.03749	0.4
137.09734	1.1
138.82474	0.3
138.97083	0.4
139.00392	0.3
140.78348	0.3
141.01949	0.4
141.12859	0.3
143.03537	3.2
143.10765	0.9
145.02962	0.6
147.02988	0.3
149.04555	0.7
150.97057	0.4
151.00342	0.3
151.04025	0.4
155.10826	0.7
157.12370	0.8
159.02995	1.8
161.04573	7.3
161.05890	0.6
161.09798	0.3
162.04880	0.3
163.03981	0.4
165.05656	0.3
166.05090	0.3
167.10725	0.3
169.12361	0.7
171.10344	0.5
171.13933	1.1
174.87607	0.3
178.99937	0.3
179.05617	1.3
181.83249	0.3
183.13934	0.7
187.13380	0.3
191.01987	1.2
193.04987	0.4
195.06712	0.3
195.13889	0.7
201.14961	1.2
205.03523	0.5
205.08739	0.3
211.13383	0.3
215.16599	0.3
237.18719	0.4
241.00214	0.4
249.06174	0.7
253.09271	0.8
256.99802	0.3
267.07227	0.8
271.22763	2.0
295.22568	0.4
299.26077	0.3
315.18024	0.6
319.17517	0.5
323.25818	0.6
327.18335	0.4
327.21664	1.8
329.19604	0.3
333.19199	0.7
339.25174	0.3
341.26968	1.7
345.19016	0.6
347.20709	1.1
359.28000	7.2
360.28580	0.7
363.19632	0.3
365.27011	0.3
371.24222	0.5
383.27905	0.6
415.27161	0.5
433.28079	3.5
434.28339	0.4
455.30219	0.7
459.29547	0.5
467.30029	0.9
473.31369	0.4
477.18195	0.5
485.31064	2.0
501.30807	0.6
502.31281	0.5
503.32190	87.1
504.32553	14.6
519.18738	0.6
519.28351	0.7
521.33221	28.2
522.33600	5.2
532.14026	0.3
563.23645	5.1
563.34167	4.0
563.66577	0.4
564.25513	1.1
564.34827	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.6
57.03445	4.2
58.00591	0.8
59.01380	100.0
60.01719	1.6
61.01815	0.5
61.98833	14.7
63.99243	0.4
67.01865	0.4
68.06977	0.3
68.99824	0.4
69.03458	1.6
71.01386	26.9
71.05024	0.7
71.73081	0.4
71.73441	0.4
72.01746	0.8
72.99323	2.5
73.02953	7.6
75.00883	1.6
78.95920	1.0
79.95731	2.4
80.96512	0.4
81.03490	0.6
83.01405	5.5
83.05024	1.0
85.02959	17.6
85.06616	0.7
86.00137	0.7
86.03304	0.4
87.00893	3.3
87.04545	1.2
88.04050	0.4
89.02454	7.7
93.03478	0.9
93.04034	0.4
93.07116	0.8
95.01407	2.8
95.95266	1.5
96.96022	24.5
97.02975	1.2
97.06615	1.0
98.95628	0.8
99.00900	3.4
99.04547	0.4
101.02460	17.2
102.02773	0.4
103.00422	0.9
109.02982	0.6
109.06643	0.4
111.00883	2.2
112.01669	0.8
113.02465	14.2
119.03535	2.5
120.01285	1.0
123.08199	0.5
124.01692	0.6
125.02444	2.3
125.06130	0.4
127.11310	0.4
129.01953	1.5
131.03528	0.6
134.03700	0.4
135.04478	0.7
135.08189	0.4
137.02478	0.6
137.09727	1.3
138.97128	0.8
140.40253	0.4
141.01962	0.8
143.03525	2.8
143.04550	0.6
146.45107	0.4
147.02971	0.6
149.04588	0.5
155.10820	0.4
157.12383	0.6
159.03023	1.5
161.04587	5.1
161.13605	0.4
164.98686	0.5
169.12425	0.5
171.13911	2.8
175.04057	0.6
177.04097	2.0
179.05663	0.5
183.13924	0.7
185.15498	0.6
191.01991	1.1
193.04973	0.4
201.15063	0.6
209.02979	0.5
211.17114	0.6
229.18121	0.7
237.18802	0.6
241.00237	1.5
256.99756	2.3
271.22791	0.9
300.39148	0.4
315.18130	1.4
315.25366	1.2
327.21960	0.5
329.19833	0.5
329.27271	0.4
333.19128	1.7
341.26920	1.4
343.06058	0.7
344.06729	0.5
347.20828	1.6
355.21298	0.7
359.28058	4.6
373.22073	0.6
391.23105	0.5
401.10333	2.8
402.10739	0.7
417.13315	0.4
423.30655	0.5
433.27866	1.0
459.18625	1.2
459.29630	14.6
460.29880	2.4
461.14932	0.4
467.29977	1.3
473.31381	0.5
477.18304	4.6
477.30765	4.9
478.17938	0.5
478.30814	0.8
485.31235	1.3
503.32205	56.9
504.25241	0.6
504.32587	9.8
519.19330	2.0
519.31689	1.3
520.31647	0.5
521.33258	21.4
522.33636	4.2
563.18274	2.5
563.25238	12.5
563.34381	5.5
564.18231	0.9
564.25903	3.2
564.34564	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83046	0.9
55.01882	1.1
57.03447	5.4
58.00583	1.0
59.01378	66.5
60.01706	2.6
61.01777	1.1
61.98830	15.2
68.99818	1.5
69.03458	6.0
71.01382	22.7
71.73878	1.3
72.99306	6.6
73.02950	5.2
75.00871	15.8
79.95741	6.1
79.96134	1.0
83.01380	3.6
83.78057	1.0
85.02956	25.1
87.00866	6.7
88.04016	1.1
89.02464	5.4
89.02936	1.0
95.01386	5.8
95.95241	5.9
96.96024	36.1
97.02937	1.8
98.95603	2.2
99.00896	11.4
101.01875	1.1
101.02435	5.9
103.00390	2.1
107.01117	1.0
109.02911	1.4
111.00887	1.3
111.08198	1.3
113.01710	1.6
113.02460	24.4
115.00364	2.4
117.01936	3.4
119.05011	1.1
129.01950	3.7
135.11838	1.3
139.11307	5.2
147.04543	39.3
150.97104	2.3
157.01369	1.4
161.04561	1.0
175.02472	4.2
177.04034	2.0
183.10258	9.1
186.41557	1.1
191.37555	1.1
193.03503	3.5
205.12376	1.1
241.00255	1.7
249.06145	2.2
251.16307	1.5
256.99738	2.2
327.21750	2.9
379.10278	4.0
397.11493	9.7
398.11383	1.8
431.24759	1.2
477.18338	1.4
503.32086	7.6
519.30646	1.4
521.32776	2.6
545.20032	1.6
562.33087	12.3
563.21606	100.0
563.33716	11.8
564.21124	19.6
564.33954	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.0
57.03460	1.5
58.00594	3.2
59.01378	82.1
60.01709	1.2
66.24797	0.6
69.51750	5.4
71.01385	55.8
72.99319	3.3
73.02956	9.2
75.00859	0.7
79.95747	1.3
83.01403	1.9
85.02957	11.7
86.00115	1.1
87.00890	6.4
89.02451	97.7
90.02792	2.0
95.95242	1.0
96.96035	7.0
98.95597	2.5
99.00888	0.6
101.02457	44.4
102.02776	1.4
103.09849	0.7
113.02461	10.2
114.93427	5.3
119.03517	5.5
123.57291	0.7
125.02443	2.2
129.01942	0.9
131.03514	41.5
132.03877	1.2
137.02466	1.1
143.03520	0.9
147.03056	1.0
149.04573	100.0
150.04916	3.2
161.04546	2.4
179.05600	0.7
191.01984	0.8
191.05630	19.1
221.06526	0.8
243.12267	0.8
251.07854	3.1
255.02858	0.7
269.14130	1.2
281.08752	0.7
284.03265	1.0
293.08646	1.2
303.93796	0.6
311.09750	4.4
329.13495	0.6
407.12036	1.6
449.17102	4.2
466.17450	1.2
498.16080	0.8
503.24896	23.1
504.25278	3.4
563.20526	8.1
564.21448	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.8
61.98836	5.8
69.85670	3.6
69.86073	2.0
70.90389	0.8
78.95906	23.7
79.81108	0.8
88.90906	0.8
93.91943	0.8
96.96021	1.1
96.96944	1.3
99.61627	0.7
116.92845	1.0
140.01204	2.2
152.99617	3.0
155.14404	1.2
165.12819	1.4
171.00647	2.7
181.12303	1.8
196.03786	1.2
199.13391	24.1
200.13776	1.3
214.04840	3.3
242.07758	1.1
248.96368	0.9
263.20120	26.5
264.20453	1.3
279.19525	2.5
347.25833	8.1
348.26370	1.2
355.32446	0.8
363.25174	1.3
365.26953	100.0
366.27344	13.6
372.01880	3.6
469.21295	1.1
488.27637	10.5
562.31506	36.7
563.31897	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	563.2142
Annotation	Woorenoside I
Peak:m/z	Relative Intensity
52.91640	0.4
57.03447	4.1
58.00578	0.7
59.01378	18.6
61.98833	7.9
68.99807	0.6
69.03467	4.0
70.91045	0.5
70.91385	0.9
71.01009	0.8
71.01381	14.6
72.99310	4.9
73.02930	1.9
75.00475	0.9
75.00877	15.7
78.18922	0.4
79.95731	2.0
83.01360	1.2
84.02142	0.5
85.02467	0.9
85.02954	18.0
86.03310	0.5
87.00889	5.5
89.02450	3.1
95.01385	4.4
95.95249	2.1
96.96020	15.7
98.95564	1.6
98.96209	0.4
99.00275	0.6
99.00890	10.6
100.01218	0.4
101.02423	1.4
103.00377	2.2
108.02145	0.5
111.00866	0.6
111.08132	0.8
113.02457	19.7
113.06050	1.0
114.02797	0.5
115.00372	2.1
115.04004	0.4
117.01967	2.0
119.04997	0.7
122.08984	0.4
123.08140	0.4
129.01958	2.4
139.11313	5.7
144.29976	0.5
147.04538	42.3
148.04918	1.9
150.97002	0.9
152.01083	0.7
157.01358	1.1
160.01601	0.8
161.04578	0.5
167.03455	1.0
171.10263	0.4
175.02499	3.3
175.03870	0.9
177.03973	1.5
183.08891	0.5
183.10260	6.0
193.03511	3.1
213.00606	0.5
231.05064	0.6
249.06012	1.2
253.09071	0.6
256.99600	1.5
270.23218	0.4
297.24277	0.5
315.25244	1.2
327.21643	1.2
379.10318	3.7
397.11417	8.6
398.11658	0.9
415.15692	1.3
477.17633	0.8
498.22421	0.5
503.31891	1.1
519.31470	1.6
521.33087	0.6
545.19910	0.8
563.21075	100.0
564.21423	19.9
564.33624	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01402	0.5
61.98830	100.0
69.43961	3.2
76.81871	0.3
78.95929	0.7
80.96525	1.2
98.19910	0.6
104.02306	0.3
111.59248	0.3
121.02972	6.3
122.99181	0.3
129.02852	0.3
130.75549	0.3
145.08156	0.3
179.03502	6.2
179.04951	0.5
263.20236	0.5
264.20517	0.8
265.20847	0.4
365.26886	0.4
372.01904	0.8
475.10571	0.4
561.24890	0.3
563.25610	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.238
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56774	0.3
59.01381	8.7
61.54182	0.3
61.98829	11.4
69.85576	0.3
71.01384	2.4
71.25051	0.3
71.43200	0.9
72.99296	0.5
73.02951	1.0
74.81950	0.4
75.00887	0.4
75.16286	0.4
78.95899	0.5
79.95750	4.3
80.96533	1.9
83.01393	0.7
83.50475	0.4
85.02967	2.1
87.00892	0.4
88.98808	1.1
89.02475	0.7
91.43168	0.3
95.95255	1.1
96.96022	64.4
99.00918	0.5
101.02452	1.9
103.76354	0.3
113.02498	1.3
116.81509	0.3
119.03484	0.3
122.97636	0.9
137.09760	0.4
138.97108	1.0
150.97093	1.4
168.66383	0.4
171.10271	5.8
180.98157	0.6
190.63205	0.4
199.13480	0.5
241.00227	3.8
372.01645	0.5
404.81488	0.4
457.82587	0.4
491.19177	0.4
533.24310	5.4
534.24603	0.6
561.23688	100.0
562.24036	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72234	0.2
55.01878	2.0
57.03444	3.3
58.00594	1.6
59.01379	100.0
60.01710	1.5
61.98830	3.0
63.16902	0.2
68.99786	0.5
69.03455	1.3
69.15936	0.2
69.67858	1.4
69.68267	0.4
71.01385	41.1
71.05025	1.3
72.01728	0.6
72.99316	2.0
73.02952	11.9
75.00887	1.3
79.95757	0.8
80.47348	0.2
80.96524	0.3
81.03460	0.4
83.01389	6.2
83.05035	0.7
84.02161	0.3
85.02959	18.6
85.06615	0.4
86.00118	0.7
86.03321	0.5
87.00888	4.2
87.01421	0.3
87.04507	1.9
88.98836	0.3
89.02452	15.4
89.21848	0.2
95.01392	4.1
95.95261	0.5
96.96021	9.6
97.02964	1.5
97.06597	2.6
98.20667	0.4
98.95602	1.5
98.96467	0.3
99.00889	4.7
99.04536	0.5
101.02457	26.0
101.06090	0.5
102.02801	0.4
103.00327	0.4
109.06638	0.4
111.00906	2.4
111.08184	0.5
112.01698	0.5
113.02460	23.8
113.06097	0.5
114.02785	0.7
115.00468	0.3
116.92848	0.4
118.92695	0.3
119.03522	5.1
119.04946	0.4
120.99693	0.3
121.02975	0.3
121.06606	0.4
121.10255	2.9
123.08221	0.4
124.01667	0.5
125.02455	2.6
125.09740	0.6
128.23270	0.2
128.72757	0.2
128.99319	0.3
129.01956	1.2
131.03488	1.1
134.03735	0.3
137.09718	1.5
138.97098	0.4
141.01958	0.6
141.09245	0.4
141.12851	0.6
142.02715	0.4
143.03537	3.7
149.04562	1.9
151.11281	0.6
153.09183	0.5
153.12912	0.5
155.10779	0.5
155.14372	0.3
159.03021	2.2
160.01764	0.4
161.04572	12.7
162.04887	0.5
163.11305	0.3
165.09143	0.3
165.12895	0.3
169.12329	0.3
175.03998	0.7
177.12747	0.4
179.05621	2.9
179.10750	0.3
180.05904	0.3
181.12375	1.3
183.13959	0.9
185.00902	0.5
190.02785	0.3
191.01991	0.6
193.05109	0.3
195.13925	0.4
197.15358	0.3
199.13364	0.4
200.69948	0.3
205.03369	0.3
205.05179	0.6
213.14926	0.4
223.06218	0.3
227.16563	0.8
229.18024	0.9
239.20143	0.3
241.00285	0.5
249.18524	0.5
251.20126	0.5
263.20090	0.8
265.21658	0.5
267.07217	0.3
277.21765	0.5
281.21277	0.4
291.19498	0.3
293.21112	0.7
295.08252	0.3
295.22769	0.7
297.24405	1.1
303.23419	0.3
309.24414	1.3
310.24573	0.3
311.22159	0.3
321.24313	3.2
322.24597	0.3
327.25333	0.5
329.02496	0.3
336.23264	0.3
339.25424	5.3
340.25720	0.8
341.23392	0.5
351.25201	0.3
355.24857	0.4
357.26453	10.4
358.26486	1.3
363.25256	0.3
367.10294	0.3
372.01755	0.4
376.94446	0.3
381.26550	0.5
386.91861	0.2
399.27563	1.1
423.27573	0.3
430.22446	0.3
441.28745	0.6
447.27682	0.3
453.28534	0.4
460.02002	0.3
465.28622	1.4
466.29242	0.4
471.29507	0.9
475.17175	0.5
483.29605	1.9
501.30652	76.7
502.30972	13.7
517.17847	0.4
519.31702	30.4
520.32007	5.4
561.15240	0.5
561.26025	3.0
561.33282	1.6
562.26605	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2377
Annotation	(+)-N-Methylapateline
Peak:m/z	Relative Intensity
53.51023	0.4
53.65686	0.4
55.26646	0.4
57.03438	1.4
58.05093	0.5
59.01096	0.8
59.01380	14.7
61.98832	8.3
66.62232	0.4
71.01389	5.6
72.99322	1.3
73.02946	1.4
75.00877	3.5
78.95908	1.1
79.95731	4.2
80.96522	1.4
83.01407	0.4
84.26141	0.4
85.02959	4.2
87.00859	0.8
88.98789	0.4
89.02464	1.4
95.01421	0.4
95.95246	3.4
96.96021	94.9
97.02933	0.5
99.00888	1.3
101.02448	2.8
111.00867	0.5
113.02469	1.3
115.00334	0.5
115.04069	0.5
116.88217	0.4
129.01962	1.8
138.97073	1.6
150.97076	1.0
152.65395	0.4
159.02979	1.0
164.98653	0.4
168.98108	1.3
171.10286	3.6
176.98653	1.2
177.04057	19.0
178.04453	0.8
191.02016	0.5
194.99666	0.9
198.99219	0.6
213.00780	3.3
241.00244	1.9
255.14775	0.4
256.99719	18.5
258.00015	1.2
311.22296	0.6
321.77765	0.5
346.40170	0.5
372.01636	0.5
433.15692	0.6
501.30746	1.1
519.31335	0.6
561.23718	100.0
562.24023	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	561.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65233	0.2
54.57509	0.3
55.01869	0.9
57.03456	2.4
57.44697	0.3
58.00584	0.3
59.01377	6.1
61.98846	0.3
69.07324	0.3
69.85347	1.4
71.01379	4.6
72.99308	0.4
73.02956	1.6
75.00883	0.5
79.95741	2.7
80.96533	1.7
83.01394	1.1
85.02956	14.9
87.00893	1.1
88.98837	0.6
89.02460	1.9
95.01375	0.5
95.95245	0.7
96.96021	57.8
97.02900	0.4
97.95960	0.5
98.95620	0.7
99.00875	0.4
101.02431	3.1
108.36457	0.2
111.00901	1.2
113.02472	2.1
115.00404	0.5
116.92858	0.6
119.03513	0.8
120.01217	0.3
122.97587	0.4
129.01068	0.4
129.01965	3.8
131.03525	0.5
131.07120	0.4
134.03772	2.7
135.23106	0.3
138.05704	0.3
138.97090	16.1
145.02954	0.5
147.03030	2.0
149.04523	0.3
149.06122	0.6
160.01688	0.5
160.04073	1.9
161.04504	1.2
173.00914	1.1
175.03981	0.6
180.98094	0.7
191.02003	1.9
193.05034	1.9
194.05296	0.4
198.99197	12.0
199.99438	0.5
205.03586	0.5
238.08885	0.3
241.00262	1.9
259.01389	0.6
323.07697	0.5
325.10638	0.4
387.10959	1.5
399.13126	0.4
403.05533	1.8
421.06595	2.9
481.26785	1.8
526.09692	0.3
561.18536	100.0
562.18939	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.202
Annotation	(+)-1,2-Dehydrokohatine
Peak:m/z	Relative Intensity
54.44962	0.4
55.01874	1.5
57.03444	3.0
59.01379	50.5
61.26863	0.5
61.98835	4.9
69.03460	1.0
70.25677	2.3
71.01385	22.0
72.99315	1.1
73.02961	3.8
75.00884	1.2
79.95743	89.2
80.50736	0.4
80.96516	3.9
83.01390	2.7
83.05026	0.5
85.02959	16.2
87.00874	2.4
88.98846	0.6
89.02451	4.8
93.03428	0.4
94.98104	0.7
95.01405	1.8
95.05125	0.5
95.95242	100.0
96.96020	79.1
97.02957	1.2
97.06578	0.7
98.95605	1.1
99.00874	2.2
99.04575	0.7
101.02460	7.5
103.00381	1.0
111.00887	0.8
111.94648	0.7
113.02455	8.3
119.03531	1.6
119.05032	0.9
120.01220	0.7
121.10236	0.6
121.83663	0.5
122.97601	2.2
125.02465	1.3
129.01959	3.0
131.03586	0.8
134.03740	0.6
137.02426	0.7
138.97083	5.1
141.02017	0.5
141.95755	0.7
143.03529	0.9
145.02956	0.6
147.03004	1.6
149.04533	1.9
149.06116	0.5
150.97087	45.3
151.00423	1.2
151.97878	14.0
152.01218	0.6
152.98590	1.3
153.01900	0.6
154.99837	1.8
156.16109	0.5
159.02962	0.7
160.01610	0.8
161.04601	3.0
163.04019	0.8
164.98621	0.9
165.05537	0.6
175.04033	0.8
176.98653	1.0
177.04042	0.6
177.12837	0.6
179.10788	1.1
182.99666	1.2
183.96732	0.5
191.01987	3.1
193.05098	0.8
194.99690	1.4
207.13947	1.5
209.03099	0.5
213.00758	1.5
222.99197	6.2
223.09767	0.7
223.13359	0.5
225.00671	1.0
229.18108	0.8
240.97943	1.0
241.00233	10.6
251.12738	1.3
256.99750	5.2
267.07123	1.1
271.02365	0.7
273.89426	0.4
300.02689	2.2
301.03555	1.5
334.83612	0.6
343.19702	0.5
357.13422	0.6
357.26465	1.9
361.18506	1.1
374.24527	0.5
389.10739	0.7
403.05389	0.8
428.26538	0.6
429.17041	0.5
430.22675	0.9
447.09122	2.3
451.36389	0.5
464.17245	14.1
465.17273	2.0
483.29675	0.9
495.17648	1.0
501.30658	24.4
502.31049	3.7
519.31744	9.3
520.31879	0.8
543.21442	0.7
561.20111	91.4
562.20276	18.2
562.28363	1.1
575.03497	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01091	1.0
59.01379	17.9
61.98829	2.6
69.55708	6.9
71.01385	4.8
73.02940	1.4
80.39494	0.6
85.02952	1.0
86.75562	0.7
87.00852	0.9
89.02470	3.4
96.96018	1.0
101.02477	4.0
105.53065	0.7
113.02465	2.0
116.65841	0.6
119.03457	1.4
161.04567	1.7
235.08333	1.8
253.09288	17.5
254.09517	1.4
263.20148	100.0
264.20493	9.7
308.40228	0.9
484.34067	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.6
59.01381	25.0
60.01705	0.6
61.98832	100.0
66.25108	0.2
69.03446	0.4
71.01389	4.8
71.05040	0.3
71.73920	0.4
72.99307	0.5
73.02954	1.8
75.00891	0.4
79.95766	0.8
83.01395	0.9
83.05030	0.4
85.02962	2.7
87.00922	0.6
88.04091	0.4
89.02468	2.0
92.50603	0.3
92.63740	0.2
95.01406	0.6
95.95255	0.7
96.96025	6.5
99.00942	0.4
101.02445	2.4
107.05100	0.3
108.02227	0.3
113.02468	2.2
117.11356	0.3
119.03534	0.8
120.01225	0.3
121.45171	0.3
123.04603	0.3
125.02470	0.9
132.03140	0.3
134.03743	0.5
161.04623	0.7
175.04099	0.7
179.05618	0.4
183.10327	0.4
193.05188	0.5
221.11723	0.5
241.00276	0.5
285.03867	0.3
303.05222	0.6
357.26685	0.5
381.26755	0.3
467.43704	0.3
479.23187	0.7
497.24225	2.0
500.29669	0.7
501.30716	2.9
517.28986	1.0
518.30737	0.4
519.31653	1.8
559.31360	0.5
560.32080	2.3
561.23682	2.3
561.33063	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	561.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.4
57.03437	0.6
59.01384	1.7
71.01377	1.7
71.72292	0.4
72.99298	0.5
73.02955	0.8
75.00881	0.6
76.57561	0.3
78.95935	0.8
79.95744	17.9
80.96513	1.7
83.01373	0.5
85.02962	3.6
86.94738	0.3
87.00919	0.4
88.20340	0.2
89.02469	0.8
94.98106	0.4
95.95244	19.4
96.96023	100.0
97.02932	0.3
97.95943	0.5
98.95567	0.4
99.00916	0.6
101.02457	2.1
109.03027	0.3
110.97601	1.5
113.02457	0.8
119.05029	0.3
119.28022	0.3
120.01274	0.7
122.97572	0.8
127.11290	0.3
129.01962	0.9
134.03720	0.4
137.02472	5.8
138.97128	2.1
139.04071	0.7
147.03011	0.7
150.97066	1.3
152.98650	6.3
152.99672	0.3
161.04593	0.4
162.05458	0.3
164.98724	0.6
180.98148	3.5
191.02025	0.7
198.99207	2.0
201.11299	1.3
209.11859	1.3
225.00755	8.7
226.01137	0.4
241.00224	14.0
241.05112	0.5
242.00626	0.4
256.07358	0.3
256.99805	0.5
259.01337	1.9
267.07172	0.4
271.09647	0.5
328.39536	0.3
379.03381	0.5
387.10910	0.9
409.04501	0.5
481.26355	0.3
561.12848	84.3
561.19879	3.9
562.13159	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	559.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.8
59.01378	9.0
60.46083	0.3
61.98829	2.2
69.03442	0.5
69.68391	1.2
69.68802	0.4
71.01385	2.8
72.06499	0.3
72.99295	0.6
73.02946	1.4
75.00874	0.6
79.95743	2.9
80.96516	1.4
81.84146	0.2
83.01390	0.7
83.05038	0.2
85.02950	2.5
87.00883	0.9
89.02454	1.2
95.01422	0.2
95.95237	1.2
96.96019	68.4
97.02935	0.2
97.95921	0.3
98.95605	0.9
99.00906	0.5
99.04494	0.3
99.92570	0.5
101.02452	2.1
101.77715	0.2
102.77509	0.3
103.00365	0.3
111.00872	0.4
113.02463	1.6
115.92103	0.9
116.92868	4.2
116.93612	0.4
117.92891	0.4
119.03530	0.4
119.71620	0.2
120.01221	0.4
122.97604	0.7
125.02472	0.5
134.28456	0.3
138.96048	0.4
138.97089	5.8
145.03029	0.2
145.06888	0.3
147.03148	0.2
150.97099	0.7
154.99901	0.4
155.10799	0.3
160.04010	0.5
161.04559	0.6
164.98610	0.4
168.98129	0.7
177.04102	0.5
180.98109	0.4
185.00888	0.5
191.01926	0.5
198.99182	3.0
202.51964	0.2
205.12479	0.3
225.00842	0.3
241.00204	3.3
244.58948	0.3
256.99655	0.4
259.01242	1.4
267.07144	0.4
287.16156	0.3
312.62207	0.2
367.26141	0.3
427.71667	0.3
473.20636	0.3
499.29117	0.9
517.30096	0.4
521.33014	0.4
559.27985	100.0
560.28381	16.9
564.46887	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32026	0.3
55.01883	0.4
58.86551	0.3
59.01382	16.8
61.98836	2.9
69.55368	2.7
71.01383	3.2
72.99327	0.3
73.02937	1.0
78.95466	0.5
78.95912	9.5
80.23596	0.3
83.01362	0.4
85.02954	0.8
87.00903	0.5
89.02452	2.7
96.96982	0.6
101.02460	3.5
113.02444	1.5
119.03501	1.2
133.05031	0.3
152.99590	1.5
157.04991	0.3
161.04562	1.2
171.00618	2.2
235.08188	2.2
245.19217	0.4
253.09285	16.5
254.09610	1.2
261.18362	0.4
263.20145	100.0
264.20493	9.5
277.21643	1.4
319.57935	0.3
474.26227	6.9
475.26721	1.3
499.19571	0.3
499.28973	0.5
559.24432	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.0
57.03446	4.9
58.00592	1.1
59.01378	84.6
60.01715	1.1
61.70616	0.3
61.98829	3.1
64.66076	0.3
67.01889	1.2
68.99829	2.0
69.03458	2.5
69.27207	0.3
71.01384	32.5
71.05031	0.4
72.01730	0.7
72.99310	6.6
73.02946	4.4
75.00877	22.7
79.95743	1.9
80.96533	0.6
81.03458	1.3
82.86008	0.3
83.01404	2.5
83.05042	0.8
84.02193	0.7
85.02959	34.0
86.03299	0.7
87.00883	11.9
89.02451	11.9
91.04041	0.9
93.03484	0.9
95.01398	7.4
95.05041	0.5
95.95261	0.8
96.96022	24.0
97.02975	0.8
97.06599	0.4
98.19868	0.7
98.95618	0.8
99.00893	14.0
99.04531	1.4
101.02458	4.6
103.00395	3.5
107.05080	0.3
109.02991	0.7
111.00885	1.3
111.04543	0.5
112.01702	0.6
113.02459	46.5
113.06084	0.5
114.02719	1.3
115.00386	2.8
115.04058	0.4
116.92910	0.3
117.01941	3.6
119.03532	0.9
120.01305	0.5
123.04558	0.5
125.02458	0.9
127.04033	0.5
129.01964	3.1
130.99861	0.3
131.03520	2.0
135.04507	0.8
138.05577	0.3
138.96080	0.3
138.97073	1.3
139.00403	0.5
143.03513	0.6
147.03021	0.5
149.04573	1.5
150.06822	0.7
150.97125	0.4
151.00351	0.3
157.01459	0.9
161.04572	0.9
161.13385	5.2
162.13693	0.5
174.01561	0.3
175.02489	3.6
177.04018	0.3
179.05722	0.5
179.10786	0.6
180.98109	0.3
185.00925	0.4
187.11310	2.9
189.04079	0.8
191.01953	0.6
191.05666	0.4
198.99178	0.7
205.07150	1.3
205.12341	17.3
206.12714	1.1
207.05095	1.9
223.08246	0.4
229.67030	0.4
231.05099	2.5
231.10089	0.4
241.00218	1.6
249.06137	29.3
249.11386	1.1
250.06456	1.8
267.07187	100.0
268.07550	5.4
279.15967	0.4
355.24982	0.3
369.06247	0.3
415.19632	1.6
416.19858	0.4
427.19797	0.8
437.18179	1.2
455.19205	60.6
456.19534	9.7
457.20685	1.0
473.20773	0.5
481.17047	0.5
497.66617	0.3
499.18192	30.2
499.28586	1.8
500.18536	5.9
500.29382	0.5
515.19495	0.3
517.19086	1.0
517.30035	1.0
559.20392	76.3
559.28223	17.4
560.20758	13.7
560.28571	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	559.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.6
57.03446	4.0
58.00607	1.1
59.01379	73.3
60.01713	0.8
61.98809	0.4
67.01913	0.9
68.99824	1.6
69.03453	2.3
71.01385	26.1
71.10927	0.5
71.11275	0.8
72.01743	0.4
72.99307	5.8
73.02945	2.6
74.78622	0.3
75.00878	21.6
79.95734	0.5
81.03471	1.1
83.01386	1.9
83.05049	1.2
84.02174	0.6
85.02957	30.6
86.03300	0.4
87.00884	10.2
89.02452	9.2
91.04031	1.6
93.03487	1.3
95.01393	6.3
96.96023	7.1
99.00890	12.3
99.01526	0.7
99.04563	1.0
101.02454	2.1
103.00375	3.3
105.07140	0.7
109.02964	0.6
111.00892	1.2
111.04564	0.7
112.01719	0.4
113.02460	40.3
114.02788	1.4
115.00403	2.2
117.01939	3.7
117.95869	0.4
121.06598	0.4
125.02442	0.4
126.90407	1.4
127.00410	0.4
129.01932	3.3
129.07767	0.4
130.99870	0.6
131.03522	1.4
135.04594	0.5
139.00378	0.4
147.03024	0.4
149.04572	0.9
150.06816	0.7
157.01442	1.2
160.04034	0.4
161.04668	0.4
161.09671	0.4
161.13376	6.3
162.13692	0.7
175.02493	3.3
185.00928	0.4
187.11298	2.5
189.04080	0.8
191.01955	0.4
205.07210	1.6
205.12346	15.3
206.12685	1.3
207.05168	1.9
215.60371	0.4
231.05083	2.0
241.00343	0.6
249.06136	31.0
250.06459	2.0
267.07187	100.0
268.07489	6.0
279.15945	0.5
313.49393	0.4
428.26611	0.5
437.18192	1.2
455.19214	67.7
456.19580	9.3
473.20593	1.1
479.24689	0.6
499.18192	28.9
500.18546	5.1
515.21594	0.4
517.19263	1.0
559.20367	67.2
560.20673	12.8
560.29285	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44049	0.3
55.01880	0.9
57.03445	4.4
58.00599	0.7
59.01378	79.1
60.01709	0.8
61.98851	2.1
67.01892	1.4
68.99821	1.6
69.03458	2.1
71.01383	31.6
71.61391	0.6
72.01751	0.3
72.99307	6.1
72.99684	0.5
73.02955	3.1
75.00876	22.4
79.95754	0.8
80.96501	0.5
81.03484	0.7
83.01385	1.7
83.05047	0.7
84.02185	0.4
85.02959	31.2
86.03309	0.8
87.00882	11.4
89.02448	8.2
91.04015	1.0
93.03458	1.1
95.01396	7.4
95.05065	0.5
95.95228	0.3
96.96020	16.7
97.02970	0.7
97.32556	0.4
98.95607	0.5
99.00890	13.1
99.04520	1.3
101.02446	3.0
103.00397	3.8
105.24035	0.3
109.03008	0.5
111.00903	1.1
111.04545	0.7
112.01682	0.7
113.02462	45.7
114.02806	1.3
115.00397	2.3
116.92879	0.4
117.01957	3.9
119.03568	0.9
119.05015	0.3
123.04537	0.4
125.02436	0.4
129.01953	3.1
130.99928	0.5
131.03523	1.0
135.04500	0.6
135.11818	0.4
138.97089	0.9
139.00334	0.8
143.03519	0.5
149.04620	1.0
149.06177	0.4
150.06885	0.8
157.01469	1.0
161.04601	0.6
161.13365	6.0
169.10347	0.3
175.02473	3.8
180.94142	0.3
187.11316	3.1
188.11688	0.4
188.87727	0.3
189.04059	0.6
205.07178	1.3
205.12332	17.4
206.12631	1.5
207.05067	1.9
231.05080	1.6
231.10127	0.4
232.05458	0.4
232.32213	0.4
241.00238	0.7
249.06155	29.6
249.11447	1.1
250.06516	1.6
267.07193	100.0
268.07553	5.4
323.15030	0.7
383.17239	0.5
395.17465	0.4
403.83102	0.3
415.19748	0.9
427.19830	0.3
437.18216	1.2
455.19211	64.8
456.19504	9.0
481.16949	0.5
499.18188	32.4
499.29474	1.2
500.18570	4.7
517.19080	0.9
517.30139	0.6
559.20404	69.2
559.28180	11.6
560.20673	13.9
560.28516	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01709	1.2
61.98835	5.2
71.01374	4.1
73.02972	1.2
78.98602	0.8
79.95752	1.7
80.96520	14.8
80.98176	1.1
81.95313	1.1
82.96109	12.7
82.96960	1.6
85.02963	1.8
87.00894	1.7
89.02450	0.9
94.98103	2.8
96.96001	0.9
96.97678	3.4
99.00884	0.4
101.02454	2.8
108.97691	0.9
116.92860	0.9
122.97611	1.1
124.97190	1.3
125.02435	1.5
133.06622	0.4
134.97601	0.6
136.97145	1.1
142.50278	0.4
148.99152	0.8
150.98730	1.2
151.51544	0.4
152.98634	1.2
154.98177	0.9
160.43625	0.5
164.98578	2.4
166.98103	2.3
225.00775	2.1
226.01065	1.3
227.00316	3.8
237.09796	6.9
238.10072	0.6
255.23170	1.1
277.21713	97.9
278.22061	9.6
281.24817	1.3
282.25204	0.9
301.04257	0.8
370.64795	0.4
432.52344	0.5
440.13223	1.6
483.15158	5.3
497.17206	0.5
498.17084	0.9
506.32260	0.8
507.32791	1.1
542.16650	1.2
557.28601	47.9
558.20117	0.9
558.28802	6.8
574.15619	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	558.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03415	0.8
58.00600	0.6
59.01379	100.0
60.01714	1.1
61.98832	12.4
68.02541	2.1
69.03455	1.1
69.63750	3.6
69.64161	0.9
71.01388	20.8
72.01748	0.8
72.99321	1.1
73.02949	21.0
73.03349	1.0
75.00882	2.3
78.95907	0.9
79.95764	1.2
83.01392	7.1
83.46989	0.5
85.02968	3.7
87.00895	1.8
88.04053	2.4
89.02457	4.5
95.01386	0.8
96.96021	9.1
97.02980	0.7
98.20592	1.1
99.00886	0.8
99.04555	0.8
101.02451	22.1
113.02460	10.3
113.06149	0.6
119.03519	2.8
125.02497	1.1
126.99565	3.6
131.03526	2.1
132.03033	1.5
138.97234	0.6
143.03523	2.4
149.04541	4.0
161.04591	7.1
203.05742	0.8
221.06764	1.1
249.06274	0.8
301.03491	0.7
510.62433	0.6
515.28693	1.5
557.29712	1.4
558.19891	0.9
558.31305	3.0
559.21112	1.3
559.28772	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	559.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.5
57.03452	0.8
57.20732	0.3
59.01378	6.0
61.98801	0.8
64.03244	0.3
69.38654	3.7
69.39069	0.8
71.01382	2.9
72.99314	0.7
73.02949	1.4
75.00880	0.5
75.45753	0.3
79.95742	4.5
80.96505	2.0
83.01431	0.5
85.02956	2.5
87.00887	0.8
88.04082	0.4
89.02460	2.2
94.98108	0.6
95.95233	0.4
96.96021	100.0
98.95611	0.9
98.96474	0.4
99.00916	0.9
101.02454	2.4
107.01418	0.5
108.02180	1.4
111.00878	0.4
113.02428	1.8
119.03519	0.5
120.01289	0.4
122.97607	0.8
123.04563	0.7
125.02444	0.8
129.01994	0.4
131.07149	1.5
138.97081	1.1
143.03424	0.4
150.03221	0.5
151.00415	2.5
151.04019	0.6
152.01167	2.4
152.98650	5.4
160.04039	1.6
165.05663	0.4
167.03503	5.4
173.08165	0.6
174.01723	0.7
178.98131	0.5
179.98882	1.2
180.98109	2.1
180.99657	1.0
241.00238	26.0
242.00482	1.3
249.06218	0.8
267.06860	0.5
271.00662	0.6
285.07574	1.0
287.00156	0.4
290.56674	0.4
300.02802	0.6
313.98932	1.9
314.99704	17.3
315.99945	1.9
317.10458	0.6
333.00757	1.1
347.17047	1.6
393.05447	0.4
472.17764	0.4
473.17365	0.8
479.06522	17.2
479.20258	2.1
479.26065	0.6
480.06998	2.3
481.20718	0.7
559.02216	2.7
559.11096	47.4
559.19116	4.2
560.11591	8.5
560.19684	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64785	0.2
55.01872	0.3
57.03444	1.0
59.01379	10.9
61.98830	9.0
69.03457	0.8
69.54638	2.1
71.01385	3.7
71.51005	0.2
72.99306	0.6
73.02956	1.8
75.00864	0.6
79.95748	3.6
80.96521	1.8
83.01397	0.5
85.02956	3.7
86.15181	0.2
87.00890	1.0
88.04062	1.0
88.98789	0.3
89.02451	1.2
92.67448	0.2
93.03509	0.2
95.01402	0.4
95.95244	0.9
96.96022	75.1
97.02910	0.3
97.95949	0.5
98.19866	0.5
98.95629	0.6
99.00893	0.7
99.04515	0.4
99.92622	0.6
101.02448	2.3
103.00356	0.2
111.00951	0.3
111.04482	0.3
113.02455	2.1
115.00388	0.3
115.92131	1.2
116.92875	4.3
117.92893	0.3
119.03509	0.5
122.97576	0.5
123.00863	0.2
123.04552	0.3
125.02467	0.3
129.01958	0.4
132.03026	0.4
134.03711	0.2
138.97086	8.1
143.03531	0.3
145.02963	0.4
149.06203	0.3
150.03232	0.3
150.97086	0.7
160.04030	0.3
161.04518	0.7
164.98636	0.4
165.05457	0.2
168.98143	0.6
180.98140	0.4
185.00945	0.3
191.01997	0.9
198.99188	4.9
203.07237	0.3
206.05745	0.3
211.13470	0.3
221.08234	1.1
223.87018	0.2
225.00842	0.3
228.16037	0.3
241.00215	3.5
256.99792	0.4
259.01260	1.5
294.36337	0.2
362.44113	0.2
366.60297	0.2
447.22720	0.2
471.18973	0.9
491.15475	0.8
491.65784	0.5
497.27353	0.7
513.14038	0.3
515.28522	0.6
519.32495	0.3
521.32922	0.4
527.25299	1.1
557.26367	100.0
558.19440	0.9
558.26709	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	557.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.4
61.01814	0.1
61.98830	100.0
62.98527	0.2
62.99270	0.1
69.48067	0.1
69.48462	0.7
73.02952	0.1
76.98389	0.1
78.95907	0.5
116.92860	0.5
120.24780	0.1
152.99559	0.3
212.22354	0.1
224.06921	0.1
237.40094	0.1
255.23303	1.7
255.25819	0.1
256.23663	0.6
257.23877	0.3
258.24286	0.3
277.21857	0.1
287.22375	0.3
409.23865	0.2
480.30994	1.3
481.31485	0.3
482.32050	0.1
483.31860	0.6
483.38440	0.1
504.26028	0.1
557.31989	0.5
557.44189	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88961	0.1
59.01381	100.0
60.01719	1.2
61.98837	1.3
63.62124	0.1
64.33401	0.1
71.01391	2.9
71.05037	0.4
71.72626	0.2
73.02963	0.4
79.95765	0.3
83.01398	0.2
83.63487	0.2
85.02981	0.6
87.00889	0.2
88.04089	0.4
89.02436	0.3
90.74558	0.1
96.96021	2.0
97.79458	0.1
99.00903	0.2
101.02469	0.5
113.02512	0.4
115.00394	0.2
121.02984	0.5
134.03796	0.2
167.10736	0.2
177.09286	0.2
221.08228	1.6
222.08667	0.2
237.97963	0.2
245.28868	0.2
291.08813	0.3
291.19998	0.2
319.15179	0.2
328.91400	0.2
381.11914	0.9
400.57364	0.2
423.13144	0.6
465.40469	0.1
497.27792	0.3
507.10590	0.2
557.30804	1.1
558.29352	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55442	0.5
55.01881	1.1
57.03449	2.3
58.00595	0.7
59.01377	40.4
60.26300	0.5
61.98831	9.1
68.99818	0.7
69.03457	5.0
69.60258	4.5
71.01385	28.6
72.99323	1.1
73.02956	4.6
74.02462	0.7
75.00875	2.0
79.95750	5.1
80.96521	1.1
81.37199	0.5
83.01401	2.3
85.02958	8.7
87.00884	2.0
87.04514	1.3
89.02444	3.9
89.06099	1.6
93.03452	1.1
94.98110	0.8
95.01379	1.4
95.95264	0.9
96.96020	100.0
97.02967	2.9
97.03497	0.5
98.20219	1.9
98.95594	2.4
99.00889	5.8
99.04500	1.0
101.02442	8.1
102.02718	0.7
103.00368	1.0
106.06665	0.6
109.02934	1.1
111.00902	1.8
112.96443	0.5
113.02459	6.6
119.03504	1.4
119.05035	0.6
120.01218	0.8
121.02975	5.1
122.03723	3.0
122.97612	1.1
123.04524	1.0
124.01662	0.7
125.02419	1.7
129.01971	2.1
133.02966	2.1
134.03741	2.3
135.04538	0.7
138.97069	3.6
141.01962	1.6
143.03508	1.0
145.02988	1.3
146.03821	0.7
147.03088	0.5
147.04520	3.3
149.02477	4.6
149.06075	2.2
150.03236	10.5
150.96933	0.6
151.04019	0.6
153.01915	0.6
159.02997	1.8
160.04030	0.5
160.44984	0.6
160.59662	0.5
161.04578	2.4
161.05940	0.8
162.03163	0.8
164.04669	1.2
165.05580	10.5
169.01408	0.9
177.05525	0.7
179.05669	0.5
179.07132	1.4
180.98109	0.8
185.00916	1.8
191.01944	0.9
195.06656	3.3
197.04623	0.6
198.99098	0.8
199.49599	0.6
202.31367	0.6
225.00685	1.0
233.10199	0.8
237.07690	1.1
241.00130	2.6
249.06117	1.0
251.11334	3.5
256.99667	1.0
291.08542	1.4
293.12332	1.8
300.02612	0.9
301.03354	0.7
329.13693	0.6
342.14853	0.5
346.14255	1.4
347.14868	1.0
361.16571	7.9
362.17102	0.8
375.05832	1.8
381.04788	0.8
381.11819	7.0
382.12204	0.7
415.17700	1.0
419.05005	7.1
420.05331	0.6
423.12949	3.2
453.25098	0.5
471.18454	1.1
472.19318	0.7
497.27545	0.8
509.21857	13.5
510.21738	1.6
513.19281	0.8
521.21625	1.2
539.22260	1.6
557.18988	83.9
558.09387	1.5
558.19220	13.3
558.27155	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.4
57.03447	0.7
59.01092	0.3
59.01379	5.4
61.98829	3.2
67.38548	0.2
69.03471	0.9
69.29951	0.2
69.38866	1.7
69.39289	0.5
71.00998	0.2
71.01386	4.6
72.99323	0.3
73.02949	1.1
75.00878	2.8
79.95744	3.5
80.96513	1.0
83.01399	1.8
85.02957	4.0
87.00893	1.1
87.65462	0.2
89.02452	1.4
93.03443	0.4
95.01397	0.5
95.95244	1.3
96.96021	100.0
97.02959	1.8
97.95969	0.5
98.19719	0.2
98.20257	1.0
98.95599	0.4
99.00896	4.5
99.92595	0.4
101.02448	2.1
103.00415	0.3
109.02983	0.2
111.00906	2.4
113.02460	2.1
115.00420	0.3
115.04032	0.4
115.92081	0.5
116.92873	2.5
119.03544	0.2
120.01250	0.2
121.02946	0.3
122.97626	0.4
125.02470	0.5
129.01974	2.5
131.11870	0.2
138.97090	3.3
141.01955	1.5
143.03528	0.2
147.03270	0.2
149.02434	0.3
150.03313	1.0
150.05580	0.3
150.97049	0.6
152.98587	0.2
153.01949	0.3
159.03011	1.4
161.04591	0.5
165.05515	1.4
168.00807	0.2
168.98148	0.2
177.04042	0.4
179.05595	0.2
180.98140	0.5
191.01939	0.3
194.99693	0.5
195.06622	0.5
198.99185	1.5
210.99165	0.4
213.00769	0.7
225.00783	0.5
227.16537	0.7
237.06155	0.5
238.98659	0.5
241.00113	1.0
249.06143	0.3
256.99728	0.5
261.06042	0.3
267.07114	0.4
296.71872	0.2
339.09433	0.5
356.56158	0.2
361.16608	0.5
375.06012	2.1
381.04999	0.4
401.03986	0.3
419.04993	8.4
420.05325	0.8
471.19153	1.2
477.23505	0.5
509.21704	0.6
513.20044	0.7
557.19141	69.0
558.09857	0.7
558.19427	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	555.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69946	0.5
57.03451	3.4
58.02961	0.7
59.01379	15.3
61.98835	9.4
69.03469	0.8
69.63229	2.7
69.63643	1.1
70.02985	0.5
71.01385	21.6
71.05018	3.8
72.99300	0.9
73.02934	1.7
75.00870	0.7
79.95752	1.4
80.96511	0.9
83.01419	0.8
83.05064	0.5
84.04529	0.8
85.02953	2.2
85.06599	4.1
86.02454	0.9
87.00872	1.1
88.04050	46.1
89.02448	1.8
93.59240	0.5
95.95220	0.6
96.96021	20.3
96.99330	0.7
98.20612	1.0
98.95564	0.6
99.00922	0.7
100.04053	0.8
101.02460	2.1
102.05630	0.9
110.06129	4.3
113.02443	1.8
113.06097	3.8
114.01943	0.8
114.05608	1.5
115.00390	15.6
121.03011	0.5
128.07162	1.1
131.06226	0.8
131.07156	10.7
132.03027	5.7
154.08740	2.6
156.10301	2.7
161.04584	0.6
167.03554	0.5
167.14432	9.7
172.09787	1.1
174.11375	11.3
175.11668	0.8
190.02716	0.6
208.17062	1.3
210.14993	7.0
211.13399	4.5
211.15213	0.8
222.18687	1.0
228.16064	2.3
229.14410	6.2
238.18132	3.6
240.19693	7.3
241.00200	2.0
241.18039	3.1
242.18642	0.5
264.19662	0.6
265.18088	1.2
281.21097	0.8
282.17145	2.7
282.20242	3.0
290.25449	0.6
312.21729	0.7
325.24963	1.4
326.23248	0.8
326.56796	0.6
336.21780	1.1
354.22827	1.0
397.27048	1.2
406.48199	0.6
436.18787	0.6
440.30063	9.0
441.25439	0.8
441.30566	1.4
445.24890	0.6
469.17618	1.7
511.18094	0.9
511.33731	2.1
537.31879	0.8
555.25006	11.2
555.32928	100.0
556.25854	1.8
556.33435	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	557.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.1
71.01387	1.8
71.71545	0.3
71.71965	0.4
72.99311	0.4
73.02969	0.4
75.00869	0.3
78.95904	0.5
79.95744	4.5
80.96518	2.6
83.01403	0.4
85.02971	1.8
87.00883	0.8
89.02433	0.3
95.01455	0.3
95.95241	1.1
96.96023	100.0
97.95956	0.3
98.95645	0.5
99.00897	0.5
101.02452	0.9
103.38298	0.3
108.39026	0.2
111.00922	0.3
113.02450	0.6
117.53076	0.3
122.97566	0.6
123.04549	3.6
125.02451	0.3
127.85249	0.2
138.97090	7.1
143.03566	0.4
144.06645	0.6
150.97083	1.0
153.05591	5.2
154.06041	0.3
164.98654	1.1
168.98116	1.0
180.98169	0.8
195.06635	0.7
215.75056	0.3
222.99208	1.6
225.07738	0.7
241.00235	31.1
242.00549	1.1
245.92433	0.3
315.10898	0.5
395.06516	4.2
396.06970	0.4
403.05331	0.3
557.11859	62.2
558.12170	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	555.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10546	0.3
57.03451	3.6
58.02966	0.9
59.01097	0.6
59.01379	12.0
61.98528	0.5
61.98833	8.8
69.03440	0.9
70.02992	0.5
71.01385	21.5
71.05024	4.1
71.26690	0.9
72.01693	0.5
72.99310	0.6
73.02950	1.8
73.50101	0.3
79.95742	1.3
81.03498	0.4
83.05030	0.7
84.04559	0.5
85.02962	1.9
85.06589	3.6
86.02467	1.2
87.00886	0.9
87.04527	0.4
88.04050	43.3
89.02449	0.8
89.04416	0.5
95.95243	0.4
96.96021	16.4
96.99307	1.1
97.06602	0.5
98.95611	0.6
99.00887	0.6
99.04535	0.8
100.04054	0.8
101.02455	1.7
102.05606	1.6
109.02958	0.7
110.06122	5.3
111.00882	0.4
111.04479	0.4
113.02477	1.3
113.06094	3.4
114.01987	0.5
114.05617	1.2
114.09241	0.4
115.00388	17.4
120.01242	0.5
123.04532	1.0
124.01664	0.6
125.02451	0.5
128.03465	0.5
128.07193	1.0
130.08777	0.7
131.06223	0.7
131.07153	9.6
132.03052	4.1
138.97156	0.6
143.10773	1.1
149.09697	0.4
150.05603	0.3
154.08754	2.9
154.23465	0.4
156.10303	2.3
161.04572	0.6
165.12883	0.5
167.03523	3.8
167.14430	7.8
168.00626	0.6
172.09813	1.4
174.11360	12.7
175.11674	0.8
181.04971	0.4
183.02950	0.6
183.10204	1.8
185.00935	0.4
185.11819	0.6
192.13878	0.5
208.16998	0.7
210.13110	0.7
210.14981	6.4
211.13422	5.0
211.15240	0.6
222.18576	1.2
228.16106	2.6
229.01279	0.5
229.14467	6.1
230.14813	0.4
238.18106	3.0
240.19699	8.0
241.00235	1.4
241.17998	2.7
241.20032	0.4
253.19318	0.6
260.05603	0.8
263.03671	0.4
264.19687	0.9
265.17975	1.7
266.21414	0.6
267.06958	0.4
272.18698	0.6
281.21167	0.7
282.17075	2.7
282.20734	2.3
283.19086	0.8
307.23892	0.6
312.22015	0.4
325.25079	1.0
326.23285	0.8
336.21799	1.5
351.21661	1.4
354.22818	0.9
378.03833	0.7
379.04572	0.8
397.27182	0.5
409.07922	1.9
410.08884	1.7
440.30167	9.2
441.20734	0.4
441.30350	0.9
447.88995	0.4
469.17419	0.8
475.28699	0.4
493.20816	0.8
495.25897	0.4
511.27206	0.4
511.33640	1.9
525.10394	0.4
537.31714	0.6
555.24982	11.0
555.32904	100.0
556.14673	7.1
556.24591	5.3
556.33221	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	555.285
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
59.01370	0.8
63.96248	1.1
64.97031	0.3
69.03452	0.8
69.52259	0.2
70.88446	0.7
71.01386	6.2
73.02956	1.4
78.98592	5.6
79.95268	0.5
79.95743	9.5
80.96521	63.0
81.03466	0.8
81.96479	0.3
83.01395	0.3
85.02960	2.5
87.00879	2.6
94.98096	15.7
95.01388	0.4
96.96026	1.1
97.02960	1.6
98.20508	0.3
99.00882	0.5
101.02450	2.2
106.98104	2.5
113.02457	0.3
122.97595	2.6
125.02454	3.1
127.04012	0.6
131.66020	0.2
134.97595	5.0
136.99184	1.5
142.57736	0.2
146.97594	0.3
148.99162	5.6
152.97462	0.4
152.98653	5.6
164.98636	10.5
165.00043	0.5
165.98845	0.3
167.00206	0.5
188.98601	0.3
206.99690	2.0
225.00734	16.4
226.01036	0.6
255.23251	2.5
256.23553	0.5
291.86838	0.2
299.04443	3.6
555.28467	100.0
556.28809	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	555.2849
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
59.01374	0.3
63.96244	0.9
69.03446	0.5
69.59566	1.8
69.59975	0.5
71.01387	6.2
73.02961	1.7
78.98594	4.7
79.95737	7.4
79.96194	0.5
80.96521	57.3
81.03462	0.6
81.96458	0.3
85.02951	2.1
87.00887	1.9
94.98095	13.7
96.96033	0.7
97.02975	1.5
98.20592	0.4
99.00883	0.6
101.02442	2.7
106.98086	2.5
113.02468	0.5
120.32729	0.2
122.97597	4.9
125.02460	2.8
127.04012	0.8
134.97614	3.6
136.99158	1.2
148.99164	4.4
152.98637	6.2
161.97783	0.2
164.98650	9.5
165.98997	0.2
167.00200	0.4
179.00223	0.3
182.99698	1.5
187.45967	0.2
188.98637	0.5
206.99678	2.8
225.00748	16.5
226.01064	0.8
243.01875	1.4
255.23245	2.8
297.67999	0.2
299.04385	2.8
300.04599	0.3
463.27820	0.3
555.28479	100.0
556.28815	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33202	0.5
55.01881	0.4
57.03447	5.1
58.00569	0.5
59.01379	14.2
61.98835	3.6
67.01866	0.5
68.99842	0.9
69.03452	1.2
71.01386	10.3
71.73773	0.5
72.99316	3.0
73.02943	1.6
75.00879	11.3
75.28874	0.4
79.95745	8.0
80.96545	0.4
81.03465	0.7
83.01392	1.3
83.05029	0.6
85.02445	0.8
85.02956	13.3
87.00880	5.9
89.02454	2.8
93.03448	0.7
95.01396	3.1
95.95239	6.3
96.96021	80.5
97.02935	0.7
98.95587	0.8
99.00892	6.1
99.04535	3.3
99.92586	0.5
101.02438	2.3
103.00380	1.6
109.02965	0.6
111.00932	1.1
113.02461	15.2
114.02747	0.5
115.00396	2.0
116.92872	1.4
117.01954	2.1
121.02950	2.7
123.04518	0.5
125.02412	0.7
125.06122	0.5
125.65342	0.4
129.01932	1.5
131.03568	0.5
135.11819	0.5
138.97113	0.5
152.70929	0.4
153.05617	2.1
155.28189	0.4
161.04588	1.0
165.05519	0.4
168.80132	0.4
175.02507	1.5
185.00845	0.4
189.04079	0.5
191.01979	0.7
195.06700	0.6
197.04582	5.5
207.13884	0.8
225.14960	36.2
226.15256	2.3
231.05057	1.6
239.05525	0.5
241.00179	0.7
249.06154	13.6
250.06555	1.1
267.07205	2.8
268.36783	0.4
299.01913	0.5
300.02457	0.7
301.03183	0.5
304.06906	1.0
304.57037	1.9
339.11102	0.9
379.14322	2.5
407.09583	0.4
457.20657	0.5
464.39633	0.4
467.15344	2.6
468.16425	0.6
469.17401	3.6
475.21826	40.9
476.22113	4.7
495.32028	0.8
511.18414	1.9
528.04791	0.5
537.15900	0.6
555.17560	100.0
556.17859	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	555.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20171	0.3
55.01877	0.4
55.12082	0.4
57.01123	0.4
59.01377	18.5
61.98817	1.3
69.67962	1.3
69.68380	1.3
71.01390	2.1
73.02942	0.9
79.95745	5.4
80.41353	0.3
80.96525	2.7
83.01417	0.6
85.02944	1.7
85.37646	0.3
87.00896	0.4
89.02461	0.7
95.01423	0.4
95.95255	0.6
96.96020	86.1
97.95985	0.3
98.20631	0.6
98.62331	0.3
98.95585	0.6
101.02466	2.2
102.19096	0.3
103.00381	9.8
113.02470	1.2
119.03440	0.5
134.03778	0.5
138.97050	0.7
150.03249	0.7
150.97124	0.7
152.98653	0.9
164.98639	3.1
165.05595	0.4
180.96675	0.3
180.98085	2.0
195.06717	0.7
241.00214	3.9
284.14270	0.3
451.16269	2.7
452.16809	0.4
469.17465	100.0
470.17801	12.2
511.18515	45.4
512.18842	7.5
537.16479	1.2
555.17554	85.5
556.17908	13.7
556.25311	0.2
575.85028	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18771	0.5
57.74537	0.4
59.01093	0.7
59.01384	13.9
61.98825	1.7
67.94801	0.4
69.83276	2.1
69.83688	1.0
71.01377	2.7
73.02953	1.0
79.95742	6.4
80.96535	3.6
83.01376	0.9
85.02953	2.6
87.00889	0.8
88.98776	0.7
89.02425	0.6
95.95234	1.1
96.96024	100.0
98.20619	0.6
98.95612	5.6
98.96255	0.6
98.96473	0.6
101.02431	2.6
103.00385	9.1
113.02448	0.8
120.01237	0.5
138.97113	1.2
150.97066	0.9
152.98645	2.0
154.49983	0.5
160.26527	0.4
161.04547	0.4
164.98651	5.6
165.98958	0.5
177.02380	0.5
180.98174	1.7
191.02005	0.8
197.04552	0.7
211.06174	0.6
222.99165	0.6
241.00227	5.4
256.99811	0.6
377.14432	0.5
451.16296	2.2
468.16202	0.8
469.17444	76.4
470.17816	12.1
511.18478	40.6
512.18750	7.4
537.16608	0.9
555.17499	60.7
556.17786	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01094	1.0
59.01379	16.7
60.16266	0.4
69.85244	2.8
71.01382	1.5
72.23806	0.4
73.02951	2.5
79.95746	7.7
80.96523	2.0
85.02954	0.7
89.02463	0.8
95.95226	1.2
96.96022	100.0
97.95969	1.2
98.95602	6.9
98.96460	1.1
101.02452	2.2
103.00392	9.2
113.02451	1.1
118.32600	0.4
150.97105	1.0
152.98669	1.2
161.23978	0.4
164.98640	4.1
180.98141	2.3
182.46593	0.5
241.00267	4.3
243.00563	0.5
256.99774	1.3
379.10800	1.2
386.13995	0.5
395.13779	4.5
396.14044	0.9
421.12003	0.5
437.14822	1.5
451.16592	2.2
467.15778	0.9
468.15964	0.9
469.17410	81.0
470.17813	10.8
511.18430	30.6
512.18768	4.6
537.16895	0.7
555.17468	50.7
556.17743	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	555.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44110	0.4
53.24174	0.3
54.58363	0.3
59.01377	17.6
59.49707	0.3
61.98817	0.8
71.01393	2.8
71.10493	0.4
71.10835	0.8
72.99281	0.6
73.02957	2.5
76.52528	0.4
79.95739	7.7
80.96524	2.9
83.01411	0.4
85.02957	2.0
87.00876	0.5
89.02435	0.8
95.95242	1.6
96.96020	100.0
98.95600	2.6
98.96425	0.4
101.02438	2.4
103.00384	11.7
113.02457	1.0
122.97602	0.5
138.97055	0.8
150.97104	0.8
152.98650	1.5
157.55913	0.4
161.04546	0.4
164.98647	4.1
176.35959	0.4
180.98119	2.8
191.01953	0.4
221.32510	0.4
222.99290	0.7
225.00583	0.4
241.00162	4.1
249.90625	0.4
256.09430	0.5
256.99759	1.0
284.93164	0.4
286.63165	0.4
379.10559	1.1
385.70984	0.4
395.13950	1.1
451.16281	2.0
469.17447	94.0
470.17819	12.8
470.24719	0.5
511.18481	45.3
512.18854	6.6
537.16748	1.2
555.17511	71.3
556.17871	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49385	0.3
59.01377	16.2
61.98829	2.7
63.03112	0.3
71.01415	0.5
71.57411	0.6
71.85493	0.3
73.03011	0.3
78.66338	0.3
78.95908	5.1
78.98597	0.6
79.95765	0.5
80.96512	3.4
85.02929	0.5
94.98115	0.6
96.96025	0.7
110.81416	0.4
115.00349	0.5
148.33369	0.4
150.25510	0.4
152.99635	0.8
162.79236	0.4
162.99561	0.4
168.04329	0.9
202.04123	0.4
224.06989	0.8
225.00879	0.8
242.08066	2.0
255.23280	100.0
256.23618	10.1
277.21732	1.0
480.30936	38.7
481.31268	5.7
504.30832	0.5
554.27179	5.9
555.27332	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	554.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45502	0.1
58.00668	0.1
59.01377	23.8
60.01696	0.3
61.98838	0.3
70.15807	0.9
78.95906	19.2
80.96527	0.3
96.96966	0.4
98.19942	0.2
101.58487	0.1
122.98566	0.4
131.90781	0.2
134.98557	0.2
148.44308	0.1
152.99608	2.7
168.04329	3.1
194.05844	0.3
212.57663	0.1
224.06920	7.6
225.07196	0.4
242.07957	1.5
255.23274	100.0
256.23621	10.5
376.75269	0.2
391.22769	0.2
402.05856	0.2
480.30920	65.4
481.31268	11.4
495.27359	0.3
554.27289	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.3
61.98833	3.9
71.01380	1.3
71.73283	0.5
73.02935	0.4
78.95907	21.8
78.98579	1.0
79.95731	2.0
80.96525	11.2
82.96114	0.5
85.02973	0.7
94.98119	2.6
96.84425	0.4
105.79965	0.4
106.98113	0.9
120.01222	0.7
122.97557	0.7
126.42794	0.4
134.97562	0.5
136.99171	0.6
144.45905	0.5
148.99100	0.7
152.98520	0.7
152.99590	2.8
155.32423	0.5
164.98610	1.8
165.98936	0.5
168.04308	3.2
187.71077	0.4
224.06917	8.9
225.00681	2.2
226.01006	0.9
242.07979	2.2
261.22168	0.6
279.23279	100.0
280.23630	12.3
377.83640	0.5
504.30930	72.5
505.31177	13.9
554.27313	20.7
555.26892	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	554.319
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53063	0.2
53.17946	0.2
57.30883	0.1
59.01386	0.4
60.88698	0.1
61.98830	100.0
62.98521	0.2
63.96255	0.2
69.03464	0.2
71.01392	1.5
72.49991	0.2
73.02943	0.2
78.98591	0.9
79.95750	1.6
80.96521	11.5
85.02962	0.5
87.00893	0.6
91.08467	0.1
94.97555	0.3
94.98105	3.0
97.02960	0.2
98.19872	0.4
101.02454	0.4
106.98106	0.6
114.98829	0.1
122.97594	0.5
125.02448	0.4
127.04020	0.2
134.97607	0.8
136.99176	0.2
141.43643	0.1
144.94740	0.1
146.97653	0.2
148.99153	0.9
151.37941	0.1
152.98633	1.1
164.98654	2.0
175.33183	0.1
206.99663	0.5
225.00769	2.9
255.09933	0.2
255.23328	0.9
256.23657	0.7
257.23923	0.4
258.24280	0.2
299.04538	0.8
437.12518	0.2
481.15094	0.9
495.16855	0.5
540.16492	0.2
555.28485	23.9
572.15320	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14010	0.3
59.01388	0.7
59.35203	0.3
61.98824	3.7
63.96238	0.9
69.03452	0.6
71.01379	7.6
71.62747	0.4
73.02946	1.3
78.95943	0.3
78.98598	5.6
79.95738	9.1
80.24210	0.2
80.96519	63.7
81.03452	0.9
81.76625	0.3
83.01378	0.3
85.02956	3.0
87.00884	2.8
89.02474	0.3
94.98093	14.8
96.96025	1.5
97.02964	1.2
99.00875	0.5
101.02445	3.1
104.67951	0.3
106.98094	2.6
113.02447	0.3
114.80522	0.3
120.01273	0.4
122.97598	5.3
125.02469	3.6
127.04026	1.2
134.97597	4.5
136.99168	1.1
146.97574	0.3
148.99149	6.5
150.79619	0.3
152.98645	6.9
164.98640	10.9
167.00143	0.6
182.99680	2.1
206.99673	2.9
225.00739	18.3
226.00978	0.3
243.01787	2.0
253.21672	4.2
270.02481	0.3
277.21716	0.4
279.23352	1.1
299.04453	3.2
453.30313	0.3
468.22818	0.3
504.30771	0.9
512.42200	0.4
553.26782	100.0
554.27271	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	554.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15454	0.1
59.01365	0.5
61.98820	0.7
62.15977	0.2
71.01389	0.2
71.30566	0.3
78.95910	5.4
79.95737	0.3
80.96520	1.4
94.98118	0.4
101.02439	0.2
107.27225	0.2
110.94494	0.2
112.78268	0.2
119.55001	0.2
122.97636	0.2
125.09724	0.2
135.92024	0.2
152.98566	0.2
152.99586	1.0
168.04306	1.8
169.04539	0.2
224.06894	1.0
225.00679	0.5
242.07997	2.7
261.22156	0.3
269.42545	0.2
279.23279	100.0
280.23630	12.1
312.48456	0.2
351.60971	0.2
374.20062	0.2
446.98547	0.2
504.30939	41.8
505.31219	7.3
545.85321	0.2
554.27191	2.6
555.27209	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93764	0.4
54.51112	0.4
54.58621	0.4
55.01867	0.5
57.03458	0.9
58.00594	0.5
59.01377	17.1
60.48616	0.4
61.98817	0.6
71.01382	3.1
71.11195	1.2
72.99319	0.5
73.02963	1.9
75.00889	0.6
76.27077	0.5
79.95741	7.3
80.96526	3.2
83.01402	0.6
85.02955	3.6
87.00871	0.8
88.98793	0.4
89.02444	1.1
95.95238	1.9
96.96023	100.0
97.95941	0.6
98.95590	1.4
101.02451	3.0
103.00386	10.4
113.02467	1.5
120.01271	0.6
122.97640	0.6
124.00326	0.4
129.02023	0.6
138.97092	0.8
150.97090	0.8
152.98579	1.2
164.98647	5.1
180.98154	2.2
195.06618	0.9
205.36919	0.4
209.08179	1.0
241.00243	5.1
256.99768	1.3
271.02472	0.5
285.02945	0.7
300.02597	0.5
304.06729	0.6
407.10599	0.5
423.13174	0.7
449.15063	1.4
465.14206	0.6
467.15915	89.9
468.16187	10.1
479.18256	0.5
509.16928	44.7
510.10861	0.7
510.17316	5.6
535.14709	1.5
553.15851	74.3
554.16254	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	553.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.5
59.01381	14.0
71.01389	2.3
71.06257	1.1
72.99272	0.5
73.02960	1.0
75.44559	0.4
79.95746	6.5
80.96529	3.4
82.63635	0.5
83.01363	0.6
84.02179	0.5
85.02966	1.9
87.00936	0.7
89.02453	0.6
95.95256	1.3
96.96024	100.0
97.95963	0.9
98.95591	0.8
101.02438	1.9
103.00384	8.7
109.69602	0.5
113.02483	0.8
113.68729	0.4
122.97618	0.5
125.02465	0.6
134.97499	0.5
138.97113	0.8
150.97127	0.8
152.98651	1.4
164.98662	4.7
165.05484	0.6
180.98145	3.1
208.52959	0.5
225.14958	1.3
241.00247	5.8
256.99680	0.6
285.02814	0.7
293.57907	0.5
296.11258	0.5
300.02591	0.6
327.10019	0.5
366.01151	0.5
407.09973	1.1
421.14667	0.8
449.14993	1.8
467.15903	82.7
468.16220	9.3
506.97696	0.5
509.16956	41.9
510.17313	6.0
535.14972	1.1
553.15875	74.7
553.22595	2.8
554.16351	13.1
554.23462	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
58.40123	0.3
59.01375	14.1
61.28898	0.3
62.74073	0.4
64.97652	0.3
69.70703	0.8
69.71114	1.7
71.01388	1.6
73.02964	1.7
73.93678	0.4
76.96992	0.4
79.95741	7.7
80.96520	2.8
83.01395	0.4
85.02988	0.8
89.02470	0.6
95.95255	1.0
96.96017	100.0
98.19972	0.5
101.02408	1.8
103.00379	7.4
105.56251	0.3
113.02476	0.6
118.04125	0.4
118.20350	0.4
122.97636	0.4
125.01182	0.4
138.97079	0.7
141.73285	0.4
143.03543	0.6
150.97098	0.8
152.98648	1.6
164.98602	2.8
177.83672	0.4
180.98129	2.0
198.99120	0.3
241.00189	3.5
256.99689	0.8
276.55353	0.4
368.59122	0.4
379.10635	1.6
449.14883	1.8
467.15903	70.8
468.16205	7.3
509.16928	41.9
510.17267	5.3
535.14221	1.7
553.15887	56.2
554.16333	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	552.3297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	17.7
61.98825	1.8
70.33655	1.4
78.95908	15.8
79.95721	0.6
96.96006	1.3
113.03590	0.6
114.01969	0.6
131.04659	1.3
131.21843	0.4
152.99614	2.9
157.38786	0.4
168.04327	2.6
224.06940	5.9
242.07994	3.3
253.21710	100.0
254.22049	10.1
277.21716	41.6
278.22064	5.0
279.65067	0.4
299.46481	0.4
316.59653	0.4
325.81717	0.4
329.89188	0.4
362.78476	0.4
478.29358	34.0
479.29807	4.7
500.67322	0.4
502.29337	33.3
503.29779	6.9
539.75751	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.6
59.01375	2.4
61.98829	0.9
70.56265	0.4
71.01392	2.9
71.44029	0.4
71.71857	0.6
71.72263	0.6
72.99317	0.7
73.02954	1.2
73.96505	0.4
78.95898	0.6
79.95739	4.2
80.96500	2.7
85.02961	4.0
87.00910	1.0
89.02474	0.6
95.95269	0.9
96.96023	100.0
97.02962	0.5
97.95966	0.6
101.02448	1.2
103.48811	0.4
109.02956	3.1
113.02469	1.3
115.00375	0.4
120.71342	0.5
123.04512	0.5
129.02026	0.5
135.04533	6.6
138.97101	7.4
143.03604	0.5
143.04976	0.9
149.04546	0.5
149.06088	3.1
150.97095	1.0
151.03996	0.5
161.02446	0.4
161.04909	0.5
161.06041	2.3
164.98665	1.1
165.05551	0.7
168.98112	0.9
171.04562	1.1
174.03235	0.9
177.05560	0.9
179.03490	0.6
179.07127	0.8
180.98160	1.0
189.05606	11.4
190.05914	0.7
191.01901	1.0
191.03511	0.6
207.06676	5.6
209.02986	1.0
219.06624	0.4
221.04649	0.5
222.99156	1.6
224.15331	0.4
231.06696	0.6
241.00243	38.5
242.00558	1.4
260.99792	0.5
271.08163	0.5
348.13239	0.6
428.07990	0.5
467.16205	0.8
493.06586	4.6
494.07159	0.6
508.78940	0.5
530.82367	0.5
553.08606	80.9
554.09155	10.8
554.17316	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.6
61.98811	0.4
65.95486	0.2
69.96329	0.4
69.96756	0.8
71.01369	0.3
77.53432	0.2
78.95906	6.8
79.85050	0.2
80.96529	0.3
87.56367	0.1
94.68733	0.1
96.96060	0.2
96.96986	0.2
105.78397	0.2
131.49434	0.2
139.51222	0.2
152.99628	1.0
162.76822	0.2
168.04340	2.1
224.06908	1.3
233.22632	0.5
242.07983	3.5
259.20633	0.7
275.20209	0.4
277.21701	100.0
278.22049	11.1
312.20975	0.2
408.80176	0.2
502.29349	47.8
503.29681	8.1
552.26434	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	20.7
60.58793	0.5
61.98827	2.8
67.53339	0.4
68.94032	0.4
71.70499	0.4
78.95908	31.2
96.53668	0.4
96.96047	0.8
96.96995	0.5
111.47755	0.4
112.50590	0.4
115.86640	0.4
128.42198	0.4
131.04633	2.0
152.99611	5.3
168.04318	5.5
224.06931	10.4
230.86255	0.5
242.08040	4.2
253.21716	100.0
254.22050	8.9
259.20624	0.5
269.48706	0.5
277.21719	88.3
278.22058	9.2
321.07147	0.4
440.17160	0.6
478.19260	0.6
478.29385	33.2
479.29724	5.7
502.29370	82.9
503.29675	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.9
59.72487	0.3
61.98831	100.0
66.48064	0.3
71.01383	2.3
71.73091	0.6
73.02969	0.5
74.90485	0.3
78.95921	0.6
78.98599	2.0
79.95751	3.1
80.96525	22.1
85.02977	1.1
87.00894	0.7
90.36093	0.3
94.98088	4.8
96.51658	0.3
96.96034	1.0
97.02956	0.3
98.25733	0.3
101.02463	0.7
106.98116	1.1
113.02455	0.3
122.97572	1.5
125.02466	0.9
134.97571	1.7
136.99142	0.6
148.99165	1.8
152.98611	2.8
164.98648	4.1
182.99771	0.7
206.99719	1.0
225.00772	6.7
243.01855	0.6
253.21729	1.5
254.22064	0.6
299.04449	1.2
300.96530	0.3
553.26813	37.9
558.33679	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	11.5
61.98826	2.6
70.96315	0.8
70.96660	1.9
71.01386	3.2
72.99316	0.7
85.02953	0.8
87.00915	0.6
89.02468	2.7
101.02464	3.8
112.98536	0.9
113.02472	1.6
116.92873	1.3
119.03533	1.0
147.75970	0.7
161.04541	1.2
165.53098	0.6
235.08281	2.6
253.09296	14.3
255.23282	100.0
256.23605	9.4
277.02353	1.0
335.25180	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.343
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37426	0.1
55.01860	0.2
59.01377	15.7
60.01696	0.2
61.98834	0.7
69.56200	0.7
69.56628	0.6
71.01385	2.7
72.99329	0.2
73.02940	0.7
78.95890	0.2
83.01390	0.3
85.02961	0.7
87.00885	0.5
89.02454	2.2
91.04012	0.2
93.96131	0.2
96.96022	0.3
97.02917	0.2
98.19929	0.3
99.00900	0.3
101.02444	3.0
103.62802	0.2
105.27827	0.1
108.77625	0.1
112.98586	0.2
113.02444	1.3
115.04010	0.2
116.92847	0.3
119.03469	0.7
125.02429	0.2
133.05098	0.3
143.03493	0.2
157.05017	0.1
161.04549	1.1
179.05612	0.3
235.08257	3.2
253.09276	12.3
254.09601	0.9
254.41330	0.2
255.23277	100.0
256.23630	10.5
282.92419	0.2
326.55222	0.2
402.11755	0.2
491.32535	0.7
492.32562	0.2
508.28848	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.3
57.03448	3.2
58.00590	1.0
59.01379	35.2
61.98824	3.8
64.79321	0.5
69.03459	1.6
69.79399	3.9
71.00990	1.2
71.01382	23.0
72.99313	2.1
73.02958	5.7
75.00886	5.1
79.95736	4.7
80.96521	0.9
81.03448	0.6
83.01402	2.6
83.05035	1.1
85.02955	16.8
86.03334	0.6
87.00881	9.3
89.02453	12.4
95.01397	1.9
95.95222	3.5
96.96019	39.8
97.02989	0.8
97.06617	0.7
98.95616	0.7
99.00900	2.8
99.04551	0.7
101.02457	14.3
103.00397	1.9
109.02950	0.6
111.00885	1.4
111.08179	2.4
113.02466	13.1
115.00340	0.9
116.92881	0.9
119.03506	2.3
119.05013	0.8
120.01243	0.5
121.02955	1.1
125.02463	1.4
127.30752	0.6
129.01964	2.3
131.03477	1.5
135.04572	0.7
138.55075	0.4
138.97086	0.9
139.04010	0.8
143.03467	1.6
145.02966	2.0
147.03015	0.8
150.03162	0.5
150.97102	1.1
151.97855	0.6
153.09200	0.7
160.04056	0.5
161.04587	2.3
161.05872	0.5
164.03458	0.6
164.98587	1.0
165.12866	33.7
166.05122	1.6
166.13159	2.8
167.14421	1.5
175.02551	0.8
175.04030	0.9
177.04156	0.6
179.05653	1.5
179.10707	0.7
181.12416	0.6
181.25314	0.5
182.29514	0.6
183.13910	100.0
184.14253	6.4
191.02010	2.7
193.05013	0.9
195.13927	1.9
195.55164	0.5
197.15488	14.3
198.15839	0.8
207.13907	5.7
209.11848	8.5
210.12108	1.0
213.83244	0.6
225.14961	9.4
227.12888	93.3
228.13206	6.5
241.00194	3.7
241.14450	1.5
249.06166	3.4
250.06392	0.7
251.12958	3.0
256.99771	0.7
267.07178	8.2
269.13916	10.7
270.14313	0.7
299.04395	0.9
299.14984	7.0
301.16568	0.9
329.16080	26.1
330.16388	3.3
341.10959	1.9
371.16910	0.8
379.19629	1.5
389.18176	74.5
390.18518	8.7
465.14349	7.2
465.26810	2.2
483.07486	0.7
507.16132	3.9
507.27921	9.0
508.15564	0.7
508.28378	1.4
550.67218	1.5
551.14716	6.5
551.23303	76.7
552.10425	10.6
552.23584	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	551.2988
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51412	13.4
56.61744	11.2
59.01370	12.4
61.98838	100.0
78.95905	50.3
86.03299	11.0
96.96021	28.5
97.77968	12.4
115.92078	14.1
126.40893	13.7
170.67470	13.6
196.89510	24.3
211.17479	12.9
279.23285	18.4
412.52344	13.9
502.63474	15.1
551.31000	18.7
552.19855	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.1
57.03452	4.4
58.00581	0.6
59.01379	25.2
61.98821	1.2
62.62957	0.4
67.01876	0.5
68.99823	0.9
69.03436	1.4
71.01385	22.4
72.01727	0.3
72.99309	4.9
73.02953	2.3
75.00880	16.8
79.95736	1.3
80.96511	0.5
81.03450	0.3
83.01400	1.8
83.05038	0.8
85.02959	27.4
86.03288	0.7
87.00397	0.5
87.00887	8.2
89.01923	0.5
89.02458	7.2
91.03994	0.9
93.03452	0.6
95.01392	5.3
95.95210	0.4
96.96021	22.9
97.02925	0.5
97.06561	0.4
99.00892	9.3
101.02471	2.3
103.00372	4.4
106.72420	0.3
111.00877	1.4
111.04541	0.5
111.08165	1.6
112.01675	0.4
113.02463	29.5
114.02760	1.0
115.00369	1.7
116.92867	0.7
117.01948	2.9
121.02971	0.6
129.01947	2.5
131.03552	0.6
134.03755	0.8
139.00352	0.6
143.03505	0.3
145.02930	0.4
149.04556	0.6
149.06102	0.5
150.03188	0.9
157.01408	0.7
164.98622	1.3
165.05594	0.9
165.12863	15.7
166.13252	0.9
175.02545	1.8
175.03838	0.5
180.98055	0.4
181.12372	0.5
183.13914	41.0
184.14267	2.3
189.04080	0.6
191.01984	0.6
193.05035	1.8
195.06555	0.7
198.34654	0.3
205.07176	1.1
207.05064	0.6
209.11893	1.8
227.12866	4.6
231.05052	1.0
241.00163	1.4
249.06157	15.1
250.06496	1.0
260.34091	0.4
267.07193	43.4
268.07556	2.8
277.02618	0.3
283.15704	0.4
301.16486	2.4
301.19861	0.7
302.17236	0.3
330.46158	0.4
333.44778	0.4
415.19681	1.2
443.26218	0.4
447.26044	1.1
454.11954	0.5
459.18552	0.9
465.08344	0.6
465.14423	8.5
465.26077	0.4
466.14636	1.1
477.19925	1.3
491.21103	0.5
491.32175	0.6
507.15366	5.3
507.28018	4.4
508.16013	0.7
508.28210	0.5
533.22217	1.3
551.14539	9.0
551.23297	100.0
552.15259	1.5
552.23706	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	551.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.5
57.03444	1.4
58.00586	1.5
58.42674	0.5
59.01378	44.1
60.01713	0.8
60.98726	0.5
61.98835	0.7
69.03443	0.7
69.46256	3.9
69.46680	1.6
71.01386	17.5
72.99319	1.8
73.02962	2.8
79.95734	4.1
80.96529	2.6
82.90715	0.5
83.01393	2.4
83.05020	0.7
85.02959	7.0
87.00890	1.8
89.02453	14.7
95.95248	0.7
96.96020	59.6
99.04518	0.8
101.02447	3.1
103.00390	3.9
109.02985	0.5
113.02461	2.0
115.04092	0.5
121.02953	1.4
123.00871	4.3
124.01699	2.5
131.03502	0.9
132.06464	0.5
137.02478	1.4
138.03250	10.8
138.97107	0.9
139.04048	3.3
143.06909	0.5
149.04561	1.8
152.98683	0.7
153.05586	9.8
159.04541	1.0
164.98647	2.1
170.38785	0.5
174.03206	0.8
175.04004	0.9
177.05629	0.5
180.98071	1.3
186.03125	0.8
187.04004	3.3
188.04707	1.4
189.05595	1.6
191.02095	0.7
201.05591	0.6
202.06355	5.0
203.07054	2.3
205.05109	1.0
206.05826	1.3
207.06676	0.8
207.13885	1.2
209.11836	1.8
217.08685	1.6
218.05777	0.6
221.08266	2.5
223.04523	1.0
225.14966	1.5
227.12859	9.5
228.13124	0.7
233.08173	9.0
241.00185	3.2
247.09874	0.6
251.12798	0.6
265.04883	0.6
269.14081	2.6
287.14987	16.3
288.15356	1.3
293.04688	0.8
295.06024	0.7
301.07065	0.6
309.07635	1.0
311.05563	1.4
312.06552	0.7
313.07404	2.5
313.10452	0.7
325.07184	2.1
326.07822	2.2
327.08640	3.4
328.09451	0.9
329.06647	1.0
329.10266	1.2
340.09488	2.8
341.06558	1.3
341.10318	4.7
343.08179	1.5
343.11908	1.5
344.08893	2.4
355.11896	6.3
356.09003	1.5
356.12775	1.3
357.09534	1.0
357.13516	0.6
358.10501	7.0
358.14249	0.9
359.11301	10.2
359.15274	1.2
360.11734	1.1
371.11392	9.9
372.11755	2.3
373.12918	14.6
374.13391	1.5
386.13687	3.6
387.13852	0.7
389.12445	5.7
390.13104	1.9
397.14520	0.7
401.15988	8.0
402.16248	1.2
404.14719	7.8
405.15335	3.6
406.16025	0.7
419.17007	38.9
420.17261	4.0
465.14328	42.7
466.14688	5.9
491.19229	1.0
505.17438	0.9
507.15393	21.2
508.15714	3.6
524.30298	0.7
533.13495	0.8
536.19000	6.4
537.19257	0.7
551.14026	20.6
551.21442	100.0
552.14410	3.5
552.21759	17.4
572.21680	0.5
579.51154	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.3
57.03440	4.0
58.00592	3.0
59.01380	65.4
60.01708	0.7
61.00210	0.6
61.98826	3.2
69.03444	0.7
69.49116	2.2
69.49538	4.5
71.01386	42.1
72.59461	0.6
72.99313	3.2
73.02968	4.9
75.00876	2.1
79.95730	6.8
80.96517	2.6
83.01385	2.7
85.02961	15.5
87.00900	3.2
88.05453	0.7
88.98788	1.6
89.02454	47.7
89.06090	2.8
90.02779	0.8
95.01389	1.4
95.95214	1.6
96.96024	100.0
99.00918	1.7
99.04530	0.9
101.02458	10.3
103.00382	7.2
108.02197	1.1
113.02458	8.1
116.92876	2.8
117.03489	6.3
119.03516	3.0
119.05067	3.9
120.01303	0.7
121.02967	9.4
121.06600	0.8
122.97523	0.8
123.04572	1.0
125.02455	1.3
125.06106	0.8
129.01942	1.8
131.03519	6.5
132.60681	0.7
134.03746	2.2
136.01630	0.7
137.02527	3.3
138.03258	2.0
138.97095	1.0
139.03989	0.9
145.02979	26.1
146.03345	0.8
147.03032	0.7
149.02490	2.4
149.04573	8.3
149.06134	1.3
150.03246	2.7
150.97025	0.8
151.00427	0.9
151.04004	3.3
152.01166	1.9
152.04805	1.2
152.98654	1.0
153.01947	0.6
153.05568	2.3
155.10872	0.7
159.02986	0.8
159.04492	1.6
161.04709	1.3
161.06090	1.9
163.04033	5.8
164.04773	0.8
164.98676	3.1
165.05652	2.0
167.03508	3.6
169.01802	6.3
171.04504	0.7
171.10428	0.9
173.06125	0.8
174.03224	1.5
175.04022	8.1
177.04147	1.2
177.05528	3.8
178.02733	1.2
179.06996	0.7
180.98160	1.9
181.05161	0.8
182.94461	0.7
187.04016	7.3
188.04762	2.9
189.05560	2.7
190.06358	4.0
191.02022	3.4
191.07066	1.1
193.05061	5.7
194.05826	1.0
195.06644	1.9
201.05571	1.0
201.11308	3.3
202.06366	2.7
203.07205	3.3
204.04285	1.9
205.05069	10.2
205.08794	2.4
208.03873	1.0
209.03064	1.2
209.11783	1.2
217.08777	1.4
219.06622	3.8
219.10202	1.2
220.07410	7.7
223.06075	4.2
227.12831	1.2
233.08234	1.6
235.09763	7.1
241.00244	6.3
251.11380	1.4
256.99649	1.4
265.07120	0.7
267.07126	1.1
301.50543	0.7
309.08063	0.9
313.06119	2.2
313.10620	1.5
326.07782	1.0
341.10370	9.0
342.10571	0.9
349.72855	0.7
355.11856	1.3
356.12466	4.8
370.14514	0.8
371.11084	1.0
371.15256	3.1
386.13693	1.0
389.16040	2.9
401.16058	73.6
402.16440	11.7
419.18524	1.3
433.24576	1.6
447.25641	1.1
451.25537	1.3
465.14395	42.9
466.14594	4.9
507.15460	24.6
507.28073	3.2
508.15643	3.1
551.14355	57.6
551.24011	15.1
551.30994	7.3
552.14801	9.6
552.24573	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	551.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.3
56.30781	0.3
57.03440	0.5
59.01377	15.6
60.01708	0.4
61.98826	1.4
66.40935	0.2
68.84269	0.3
71.01379	3.3
71.41969	0.3
71.42310	0.6
72.48138	0.3
72.72047	0.3
72.99316	0.5
73.02943	3.0
75.00869	0.6
79.95741	7.1
80.96524	2.5
83.01396	0.9
85.02959	2.5
87.00865	0.4
89.02438	1.0
95.01368	0.3
95.95232	1.2
96.96019	100.0
97.95927	0.4
98.20406	0.4
98.95599	3.0
98.96444	0.4
101.02443	3.0
103.00375	6.8
113.02443	1.1
120.01272	0.4
122.97562	0.8
125.02412	0.3
129.01941	0.4
134.97527	0.4
138.97086	2.1
141.33884	0.3
142.16818	0.3
143.03505	0.5
147.02954	0.3
150.97090	0.9
152.98633	1.9
164.98634	2.0
180.98109	2.7
189.76958	0.3
190.90138	0.3
198.99187	1.4
222.99173	0.4
241.00241	7.9
241.02719	0.5
242.00539	0.9
242.99838	1.8
256.99759	0.6
259.01205	1.6
276.93805	0.3
283.01334	0.8
284.01669	0.5
285.01120	1.0
301.02374	0.3
329.00104	1.1
447.13229	0.7
465.14331	64.0
466.14673	8.6
490.34686	0.9
491.35107	0.5
507.15393	31.4
508.15750	4.7
533.13495	0.7
551.14355	30.2
552.14771	5.3
552.22827	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.9
57.03449	12.6
59.01378	26.3
60.01708	0.5
60.99310	0.6
61.98837	2.9
68.99802	0.6
69.03470	0.6
69.76209	1.7
69.76645	1.1
71.01387	6.4
72.46569	0.4
72.99316	1.3
73.02965	2.3
75.00882	2.4
77.76635	0.4
79.95738	3.0
80.96525	0.7
83.01379	3.1
84.02181	2.7
85.02957	100.0
86.03300	2.3
87.00870	2.4
88.98830	3.6
89.02452	1.8
93.03459	0.6
95.95227	1.4
96.96021	33.8
98.19968	0.5
98.95597	0.8
99.00885	1.4
99.04522	0.5
99.65635	0.4
101.02468	3.3
103.00389	4.1
105.46187	0.4
111.00899	4.7
113.02461	2.1
115.00388	1.2
116.92863	0.7
119.05014	0.7
123.00872	0.6
125.02465	0.7
129.01956	12.3
130.02277	0.5
137.02480	0.4
139.04033	1.9
143.03491	0.5
145.02965	1.2
147.03024	11.5
150.97079	0.4
161.04541	0.8
163.02548	0.6
163.03972	0.8
164.98674	0.8
167.03500	0.5
173.00920	3.4
177.01965	0.5
180.98070	0.4
183.03027	0.9
183.13893	0.8
187.11406	0.4
191.01990	48.9
192.02348	1.7
193.05229	0.4
209.03070	1.9
211.17044	4.5
213.14973	0.4
227.12993	0.5
241.00204	4.4
256.99799	0.8
277.09885	1.5
314.60269	0.4
315.18195	1.0
321.08865	0.6
336.11176	1.1
338.43607	0.4
341.06561	0.4
380.10138	1.2
435.10864	0.7
465.18665	8.9
465.26584	0.8
466.18549	2.0
486.17188	0.6
489.19885	1.3
491.32281	0.6
507.20319	10.1
507.28207	3.5
508.20578	1.7
508.28244	0.8
520.17188	2.2
550.67664	0.4
551.18036	4.3
551.30450	0.6
552.10541	3.9
552.19666	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	551.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	11.6
61.70786	0.3
61.94152	0.3
71.01387	2.1
73.02943	1.8
79.95744	7.3
80.96533	3.7
83.01396	0.4
85.02966	0.8
87.00888	0.7
89.02463	0.6
95.95261	0.6
96.96022	100.0
101.02448	2.1
103.00378	7.9
113.02423	0.8
116.92868	5.3
117.92901	0.5
122.97547	0.6
138.97079	0.7
150.97055	0.5
152.98645	1.5
160.45979	0.3
164.98640	4.4
179.75911	0.3
180.98154	2.0
198.99158	0.3
205.12364	0.8
222.99107	0.5
241.00212	3.9
331.59259	0.4
359.14960	0.5
377.85458	0.4
447.13260	1.5
465.14346	75.0
466.14655	10.8
491.19202	0.7
507.15402	39.5
508.15811	6.5
533.13751	0.8
551.14343	49.2
552.14624	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	551.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	11.1
70.14056	0.5
71.01392	2.0
72.99279	0.5
73.02943	1.4
78.35398	0.5
78.42670	0.6
79.95741	7.2
80.96528	3.3
83.01381	0.6
85.02963	1.6
95.95240	1.2
96.96021	100.0
101.02447	1.8
103.00383	10.6
107.55063	0.5
113.02464	0.7
122.97610	0.8
138.97116	1.4
143.96446	0.6
149.29959	0.7
150.97160	1.3
152.98674	0.9
164.98624	4.7
180.98126	2.4
229.59846	0.9
241.00249	3.5
280.01892	0.6
335.76877	0.6
439.38574	0.5
447.13229	1.5
465.14340	96.7
466.14651	10.6
507.15390	64.0
508.15628	9.9
533.13281	2.1
551.14337	80.6
552.14709	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	551.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90504	0.3
55.01850	0.4
57.03447	1.3
59.01377	18.0
61.98835	3.3
69.03455	0.4
70.30173	1.1
71.01389	4.4
71.97756	0.3
72.99300	1.0
73.02945	2.6
75.00882	0.8
78.95894	0.4
79.95737	8.6
80.96520	3.0
83.01368	0.6
83.05065	0.5
85.02954	4.7
87.00855	0.6
88.98787	0.6
89.02448	1.3
95.01389	0.3
95.95235	2.1
96.96019	100.0
97.02921	0.4
98.95618	1.8
98.96478	0.3
99.00902	0.8
99.04504	0.3
101.02447	3.5
103.00388	5.8
113.02468	1.8
116.92906	0.4
119.03554	0.4
120.01278	0.3
122.97610	0.4
129.01959	0.4
138.97075	2.5
143.03584	0.5
147.03008	0.4
150.97098	1.0
151.97763	0.3
152.98630	1.9
161.04594	0.4
164.98659	1.7
165.05505	0.3
167.03531	0.3
168.98112	0.4
177.04082	0.7
180.98160	1.9
183.10272	0.3
191.01961	1.3
195.06618	0.4
196.83704	0.3
198.99188	1.3
205.05107	0.4
207.06706	0.5
225.00941	0.4
236.74983	0.3
241.00218	7.3
242.00569	0.7
242.99876	1.0
256.99677	1.9
259.01285	1.2
329.00098	0.5
371.11154	0.6
374.56802	0.3
447.13321	0.9
465.14285	57.6
466.14621	6.8
466.21173	0.3
471.25851	0.3
507.15320	26.1
508.15607	4.0
533.13153	0.9
551.00519	0.6
551.14240	26.3
551.21899	6.0
552.14264	3.8
552.21948	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48708	0.2
59.01378	14.3
61.98824	1.0
71.01383	2.2
71.30817	0.6
72.99336	0.3
73.02956	0.8
78.95896	0.7
83.01366	0.4
85.02951	1.0
87.00875	0.5
89.02453	2.8
90.20175	0.3
96.96051	0.3
101.02437	3.0
113.02444	1.1
117.58739	0.2
119.03518	0.8
129.66458	0.2
152.99588	0.8
161.04552	1.0
177.51054	0.3
235.08173	1.9
253.09290	12.6
253.21710	100.0
254.09581	0.5
254.22044	9.2
265.82394	0.3
489.30823	0.7
549.28619	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36479	0.7
59.01380	14.1
61.98822	2.4
62.04662	0.7
71.01385	4.6
71.73386	0.8
78.95909	1.4
79.70270	0.9
83.01417	0.9
85.02941	1.4
89.02457	3.1
96.96011	1.4
101.02448	2.4
113.02457	2.1
119.03508	1.0
131.03450	0.7
131.39758	0.7
161.04593	1.0
179.05574	0.9
197.47304	0.8
231.53827	0.7
235.08267	2.2
253.09294	13.6
253.21715	100.0
254.22060	9.9
274.69913	0.9
345.61325	0.9
407.29880	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.3
57.03452	8.8
58.00596	5.2
59.01381	100.0
60.01713	1.1
60.99290	0.2
61.98826	1.0
64.48994	0.2
67.89592	0.2
68.99811	0.4
69.03466	0.7
69.92522	0.6
69.92939	0.9
71.01388	77.8
72.01751	1.1
72.99311	6.6
73.02957	5.7
74.02445	0.3
75.00886	1.8
78.71227	0.2
79.95757	0.5
81.03531	0.2
83.01392	5.4
84.02177	1.4
85.02960	59.5
86.00107	0.2
86.03292	1.2
87.00883	5.4
89.02456	84.5
90.02767	1.1
93.03477	0.7
93.83645	0.2
94.65043	0.2
95.01404	4.6
96.96031	5.8
96.99306	0.5
97.02965	0.7
98.95603	0.4
99.00903	2.5
99.04547	0.9
101.02458	48.9
102.02789	1.2
103.00395	0.7
107.03493	0.3
108.02218	0.5
109.02985	0.6
111.00905	3.1
113.02467	30.2
114.02797	1.1
115.00443	0.6
115.04060	0.4
117.03448	0.3
119.03521	38.7
119.05008	2.5
120.01265	0.4
120.03874	0.6
121.02975	1.0
121.06590	0.3
123.04549	0.8
124.01694	0.3
124.72482	0.2
125.02464	1.3
128.03563	0.4
129.01964	6.2
131.03532	3.9
133.01447	0.7
134.03766	2.7
135.04520	1.0
137.09726	2.5
143.03514	7.0
143.05145	0.4
144.03778	0.3
144.06693	0.3
145.02971	0.4
146.03729	0.4
147.03026	7.6
147.04257	0.4
149.04588	3.7
149.05904	0.5
149.09735	0.5
151.03926	0.3
153.09181	0.6
158.03735	0.5
159.03006	1.6
159.04515	0.6
161.04590	13.2
162.04944	0.5
163.04025	1.2
173.00980	1.4
179.05627	17.9
180.06049	0.7
181.05016	0.5
185.74136	0.2
189.12886	1.3
191.01994	19.9
191.98633	0.3
192.02408	0.8
193.05084	0.9
196.97305	0.2
205.03526	0.4
207.13910	0.7
209.03040	12.3
210.03401	0.7
225.11430	0.3
225.14966	1.6
226.06400	0.4
241.00264	0.5
241.05037	0.3
251.07158	0.9
252.07861	0.4
253.08778	0.7
255.10179	0.8
266.06302	0.4
267.06906	0.4
279.06674	0.3
280.07443	0.8
281.08148	0.4
282.08823	0.3
287.10327	0.3
295.09836	0.8
297.11707	0.3
313.10864	0.8
324.06555	0.3
339.08838	0.5
343.08014	0.3
357.09827	10.5
358.10147	1.2
369.19171	1.9
387.20255	9.4
388.20676	1.2
469.17255	0.4
506.15375	0.3
549.17926	3.3
549.25482	83.5
550.18469	0.8
550.25885	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	549.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.4
57.03448	28.9
58.00592	0.3
58.03786	0.6
58.49705	0.3
59.01378	23.9
60.01696	0.7
60.63147	0.3
61.98831	21.3
68.48115	0.3
69.46283	1.2
69.46706	2.3
71.01383	8.5
72.99306	0.9
73.02946	2.8
75.00881	0.7
78.88211	0.3
79.95744	5.5
80.96526	1.2
81.03477	0.7
83.01391	1.3
85.02955	5.8
87.00880	1.4
88.04031	0.5
88.98792	0.6
89.02437	2.4
93.03461	0.7
95.01457	0.4
95.95220	2.7
96.96024	92.8
97.02964	0.6
98.95599	0.7
99.00906	1.6
99.04533	20.1
100.04884	0.6
101.01788	0.7
101.02454	11.9
103.00402	0.5
113.02453	3.2
119.03521	0.4
119.05011	0.8
120.01291	0.4
121.02954	0.4
123.04555	0.6
125.02492	2.9
129.01944	0.7
131.03575	0.4
134.97539	0.5
137.02448	0.7
138.97110	0.5
139.07648	0.4
141.01978	0.4
143.03482	0.8
147.04530	0.5
148.05324	20.7
149.04562	0.6
149.05692	1.0
150.97038	0.5
152.98654	1.0
161.04573	13.4
162.03308	0.4
162.04913	0.5
163.07672	22.5
164.07988	1.6
164.98668	1.0
167.03542	0.4
169.08649	0.4
175.11221	0.4
180.98148	0.4
181.04887	0.4
183.13916	1.4
187.09703	0.9
191.01917	1.1
199.09572	0.3
201.11476	0.4
203.12863	0.6
222.99136	1.9
225.00705	0.4
241.00264	6.3
249.06282	0.5
255.06691	0.5
256.99808	0.4
283.01270	0.5
291.08676	0.6
301.24078	0.4
315.20645	0.3
323.04480	1.7
325.02335	0.7
347.16983	1.2
365.18076	1.8
375.27591	0.4
377.18216	1.2
379.19827	0.8
385.04474	3.0
387.07483	0.5
396.54190	0.4
405.08502	2.5
430.25266	0.5
442.25488	0.7
445.28009	0.5
448.26196	0.4
457.23950	0.4
463.16278	2.9
469.17102	0.7
487.12595	1.2
489.10602	0.8
505.16754	1.0
505.22784	0.9
532.53296	0.4
548.29028	0.6
549.12695	100.0
550.13098	14.8
550.21631	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.7
57.03447	23.0
58.00574	0.6
58.03802	0.6
59.01378	29.2
60.01725	0.9
61.41744	0.5
61.98832	24.8
69.03481	1.2
71.01385	7.5
71.40271	0.6
71.73248	0.6
72.99312	1.3
73.02946	2.8
75.00876	2.3
79.95739	7.1
80.96531	1.9
83.01392	1.7
85.02959	8.8
87.00889	2.3
88.04039	1.3
88.58644	0.5
88.98811	1.6
89.02444	1.9
95.95251	3.3
96.96022	100.0
97.02969	0.9
98.95602	1.7
99.00888	1.5
99.04530	18.9
101.02460	10.2
103.00406	1.4
108.22871	0.6
109.06603	0.6
113.02463	3.0
115.00416	0.9
116.92847	0.8
117.79485	0.5
121.03065	0.7
125.02467	2.7
126.67201	0.5
128.91028	0.6
129.01952	1.0
135.04512	0.7
137.02432	1.4
138.97079	1.0
143.03523	1.2
147.03072	0.6
148.05318	17.7
149.05679	1.3
151.07657	0.7
160.41142	0.6
161.02469	1.8
161.04573	11.6
163.03957	0.7
163.07672	21.0
165.04172	0.7
165.05623	1.3
167.03461	0.7
177.02014	0.6
180.98183	1.1
191.01985	2.4
193.05042	0.6
203.07782	0.5
222.99181	1.5
225.00764	1.0
241.00230	7.4
256.99655	1.0
279.11426	1.2
283.01233	5.1
323.04401	1.6
325.02249	0.7
385.04431	2.6
405.08594	2.2
463.17056	1.2
463.25079	0.6
469.17587	0.7
487.12982	0.7
489.10443	1.1
489.30554	2.2
505.19867	0.8
505.26422	3.0
548.28589	1.7
549.12762	82.8
549.21222	4.8
549.31940	1.8
550.12976	12.0
550.20837	0.9
550.31061	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.4
55.55596	0.6
57.03447	16.4
59.01378	13.7
61.98833	7.1
68.99821	0.6
71.01383	10.1
71.72301	0.8
72.89138	0.6
72.99301	1.9
73.02946	1.5
75.00869	4.2
76.48721	0.6
78.90546	0.5
79.95748	0.8
80.08972	0.5
80.96520	0.8
83.01387	3.6
84.02168	1.9
85.02958	100.0
86.03309	2.4
87.00887	2.1
88.98811	1.9
89.02454	3.6
91.01907	1.5
93.03442	3.1
96.96018	12.4
96.99305	2.8
97.06627	0.7
98.95583	0.8
99.00918	0.9
99.04525	3.0
101.02460	4.1
102.05679	0.6
103.00380	2.3
108.02187	0.8
111.00900	7.2
113.02461	2.4
114.17068	0.5
115.00372	2.8
117.03465	0.9
119.03504	1.7
119.05046	7.4
120.01232	1.2
121.02985	4.3
123.04534	6.2
125.02441	1.3
128.03539	0.6
129.01959	15.9
131.05020	1.0
133.01469	1.3
133.02962	1.2
134.03745	7.1
135.04530	0.6
136.01706	1.1
137.02460	0.9
143.05060	6.2
145.02977	1.9
146.03738	2.1
147.03012	12.4
147.04382	0.8
149.04724	0.6
149.06085	1.4
151.04034	0.9
153.05576	1.8
158.03749	1.6
159.04568	2.9
160.01733	0.5
161.02597	0.5
161.04651	0.7
161.06090	1.8
163.04019	7.5
163.06172	0.6
165.01926	0.6
165.05447	0.6
173.00905	4.0
173.06070	1.1
175.04015	0.9
178.02771	1.0
179.05579	1.1
181.05046	1.0
189.05585	0.7
191.01988	58.0
192.02382	2.1
193.05127	3.2
209.03036	20.5
210.03387	0.7
211.06065	0.9
226.06412	1.7
235.07823	0.8
241.00230	1.2
241.08786	1.7
249.06140	0.6
250.06511	0.7
251.07057	6.9
252.07799	3.4
253.08669	2.4
254.09410	1.8
271.20776	0.5
279.06656	2.6
280.07397	7.4
281.07776	0.8
295.09766	6.2
309.35611	0.6
310.28525	0.6
313.11435	0.6
324.06427	1.3
339.08624	2.8
357.09793	69.9
358.10114	7.4
463.09741	0.6
467.16577	0.7
469.17035	1.0
549.10754	3.5
549.19611	2.8
549.25354	1.4
550.10760	0.7
550.18915	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66985	0.6
55.01888	2.6
57.03447	18.4
58.00595	0.6
58.36356	0.6
59.01379	15.3
61.98832	0.9
65.00349	0.7
68.99827	0.8
69.76710	2.1
69.77145	1.7
69.81702	0.5
71.01385	9.0
72.99308	2.4
73.02953	3.4
75.00875	3.4
79.95727	1.0
83.01390	5.5
84.02177	2.5
85.02958	100.0
86.03297	2.2
87.00884	2.3
89.02443	4.8
91.01913	1.6
93.03495	3.7
95.01414	0.5
96.95386	0.6
96.96017	10.2
96.99322	4.2
98.19897	1.1
99.00890	1.0
99.04527	5.4
101.02467	5.8
103.00364	0.9
108.02216	1.3
109.02966	0.6
110.68715	0.5
111.00903	7.8
112.35191	0.5
113.02452	2.6
115.00371	1.5
117.03470	1.4
119.03538	1.2
119.05042	8.0
119.32629	0.5
120.01231	0.6
121.02974	3.0
123.04518	6.3
125.02460	2.0
128.03575	0.8
129.01956	20.1
130.02119	0.5
131.05014	1.2
133.02940	1.8
134.03760	8.3
136.01660	1.6
136.31978	0.6
143.05038	6.4
145.02975	2.8
146.03812	3.1
147.03020	15.2
147.04387	1.0
148.05302	0.5
149.06039	0.7
151.04031	1.9
158.03806	2.6
159.04515	4.1
161.02460	0.8
161.04556	1.5
161.06035	1.2
163.02701	1.1
163.04021	8.0
165.01868	0.5
165.05511	0.5
166.05098	0.6
173.00906	4.0
173.06084	1.5
175.03967	1.1
178.02652	1.3
179.05580	1.0
181.05067	1.8
191.01988	63.8
192.02310	2.2
193.05057	4.9
209.03036	14.4
210.03329	0.6
211.06204	1.0
226.06384	1.7
239.07205	0.7
241.08789	2.4
250.06367	0.7
251.07114	9.9
252.07861	4.4
253.08743	3.2
254.09395	2.0
265.08798	1.1
279.06601	3.4
280.07376	9.0
281.07797	1.0
295.09744	7.9
296.10101	1.2
324.06491	0.7
327.19138	0.5
337.05573	0.7
339.08817	3.4
340.09027	0.8
357.09793	87.8
358.10141	9.6
403.08896	0.9
447.22458	0.9
469.17389	0.8
506.15796	0.8
549.11182	4.6
549.19617	4.7
549.25378	3.9
550.11536	1.0
550.19092	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	11.2
61.98829	1.4
69.96809	0.4
69.97228	1.1
71.01381	1.3
71.05023	0.6
72.99318	0.3
73.02944	0.9
79.95732	3.0
80.96523	1.6
83.01402	0.2
85.02958	0.9
87.00880	0.7
89.02460	0.2
94.98096	0.2
95.95244	0.3
96.96020	100.0
97.95954	0.3
99.00910	0.3
101.02444	1.0
103.00388	3.2
104.24712	0.2
106.98072	0.2
108.66953	0.2
113.02464	0.7
121.02943	0.4
122.97620	0.3
125.02477	0.3
134.03806	0.6
134.97620	2.1
138.97101	1.2
140.62057	0.2
143.73094	0.2
147.65208	0.2
149.09573	0.2
150.97072	0.5
152.98642	5.8
161.02417	0.4
161.04607	0.2
164.98639	0.2
166.96526	0.5
180.98145	0.9
194.99704	1.1
221.08206	1.5
222.08191	0.2
222.99205	1.3
241.00232	56.2
242.00589	2.5
283.01279	32.1
284.01605	1.7
308.99390	1.0
327.00272	24.0
328.00491	1.4
340.78400	0.2
345.30295	0.2
463.09137	5.7
464.09552	0.8
489.34396	0.6
505.10193	6.1
506.10696	0.7
507.35345	0.3
531.08020	0.5
549.09143	11.1
549.22302	0.4
550.09454	2.0
571.35901	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62994	0.1
57.03448	1.0
59.01381	2.4
61.98831	0.5
63.54733	0.1
69.03452	0.3
70.59393	0.6
71.01387	1.8
72.99307	0.3
73.02945	0.4
75.00866	0.2
79.95754	0.3
80.96560	0.1
83.01419	0.4
85.02962	6.0
86.03331	0.2
87.00876	1.4
88.74168	0.1
89.02456	0.5
93.03484	0.2
96.96022	4.9
98.95602	0.3
99.00909	0.2
99.04518	0.4
101.02478	0.4
106.67622	0.1
111.00887	0.5
111.04525	0.5
113.02478	0.5
115.00387	1.6
116.00750	0.2
116.05073	3.3
117.05363	0.2
119.05055	0.4
120.01347	0.2
120.03889	0.1
121.02947	0.3
122.26559	0.2
125.02472	0.2
129.01962	1.0
131.03601	0.1
131.49548	0.2
132.04608	0.4
138.97148	0.1
139.00462	0.3
140.00725	0.2
147.03032	0.9
151.03909	0.2
157.01405	0.8
158.01761	0.4
159.03249	1.0
160.04057	100.0
161.04410	5.1
163.03960	0.3
164.36110	0.1
173.00925	0.3
174.01857	0.2
174.05614	0.7
175.02507	2.7
175.03963	0.2
176.02834	0.9
177.02913	0.1
181.08727	0.2
191.01985	2.1
193.05040	0.1
202.05159	0.3
204.03017	4.3
205.03584	0.7
209.03050	1.8
213.04292	0.3
226.08675	0.3
241.00195	0.4
253.07478	0.4
254.08212	0.8
298.14304	0.2
304.08286	0.3
316.07773	0.2
322.09293	0.5
324.12387	0.7
357.09756	0.2
366.08289	3.3
367.08765	0.3
369.10294	0.2
372.12845	0.4
474.17560	0.2
486.16174	0.4
505.13434	0.2
511.29037	0.1
518.16705	2.2
519.16724	0.4
530.16626	17.1
531.16943	3.2
547.23846	0.3
548.17554	8.1
548.24365	0.6
549.09009	0.4
549.17566	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	548.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.7
57.03439	2.0
59.01379	98.3
60.01723	2.9
61.98831	100.0
69.03472	1.1
71.01384	13.7
71.21829	1.1
71.41139	0.6
72.01746	0.6
72.99316	1.1
73.02955	3.4
74.03272	0.6
75.00868	0.4
78.95897	0.5
79.95770	0.8
83.01418	2.9
85.02963	8.4
86.03275	1.0
87.00880	0.8
89.02468	2.7
95.01376	2.0
95.95217	0.8
96.96025	9.1
97.02986	0.6
97.98110	0.5
99.00858	1.2
101.01887	0.6
101.02460	7.5
102.02745	0.5
103.52125	0.4
111.00864	1.0
113.02465	6.4
119.03475	1.3
125.02400	1.1
143.03438	1.6
147.00110	0.5
159.02910	0.6
161.04469	2.1
177.01811	1.5
191.01790	0.7
209.48508	0.5
214.33496	0.5
267.06906	0.5
279.23141	0.7
343.28455	2.3
344.28708	1.0
345.29822	0.8
381.22830	2.2
399.23206	2.0
441.24893	2.7
444.40536	0.5
463.11987	0.7
487.32733	7.1
488.33124	13.0
488.39746	0.6
489.34195	8.1
505.33945	3.9
506.34033	7.4
507.35297	4.5
537.08478	0.5
548.20483	0.7
549.22992	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.9
57.03453	1.6
58.00591	0.5
59.01378	100.0
60.01717	1.5
61.98830	8.9
68.99827	0.2
69.03468	0.5
69.54753	1.4
71.01386	18.5
71.05029	0.3
72.01772	0.3
72.99303	1.0
73.02950	5.9
73.03352	0.3
74.02472	1.6
75.00886	0.6
77.07240	0.1
78.95921	0.2
79.95743	0.4
83.01393	3.1
85.02957	10.6
86.00115	0.4
86.03333	0.2
87.00900	1.2
88.98807	0.2
89.02451	4.7
95.01396	1.7
95.95261	0.4
96.96025	3.6
96.96614	0.3
97.02967	0.8
98.95589	0.2
99.00895	2.5
101.02454	10.5
102.02780	0.2
109.02995	0.2
110.89021	0.2
111.00895	1.3
112.01693	0.3
113.02464	9.9
114.02811	0.5
115.00443	0.2
119.03529	1.4
121.10233	2.0
124.01702	0.5
125.02466	1.1
125.09719	0.2
129.01990	0.4
131.03528	0.3
135.04559	0.4
137.02470	0.2
141.01984	0.3
143.03528	1.4
149.04555	0.3
159.03069	1.2
161.04575	6.8
162.04854	0.2
165.28847	0.2
167.03485	0.4
179.05623	0.6
183.13901	0.2
183.34854	0.2
185.15518	1.1
191.02205	0.2
193.12396	0.6
205.03604	0.2
215.90132	0.2
241.00255	0.3
256.99796	0.2
267.19626	0.3
272.70932	0.1
293.08786	0.2
299.22354	0.2
313.27737	0.2
325.23962	0.3
325.27490	0.6
329.19669	1.4
341.26782	0.2
343.28470	2.0
347.20749	2.8
348.21072	0.2
451.30472	0.2
457.31708	0.4
469.31677	0.6
487.32751	37.8
488.33090	7.1
504.28107	1.8
505.33826	17.4
506.34119	2.9
547.22064	1.2
547.34076	1.6
548.21869	0.3
548.35004	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08338	0.2
55.01875	1.1
57.03453	1.8
57.56553	0.3
58.00602	0.4
59.01379	100.0
60.01710	1.4
60.44508	0.2
61.98832	3.1
68.99809	0.3
69.03465	1.0
69.66110	2.2
71.01387	21.2
71.05032	0.5
72.01727	0.3
72.99310	1.2
73.02955	6.4
75.00871	0.6
79.95751	0.9
83.01391	4.8
83.46177	0.3
85.02956	11.7
85.06602	0.3
86.00109	0.7
86.03268	0.3
87.00868	1.7
89.02448	1.8
95.01397	2.4
95.95275	0.5
96.96024	4.8
97.02943	1.4
98.95616	0.5
99.00898	3.3
101.02454	14.2
102.02812	0.3
107.08684	0.3
111.00878	2.0
112.01687	0.3
113.02464	10.3
115.04039	0.4
119.03549	0.9
121.10228	2.9
124.01702	0.7
125.02451	1.8
129.01936	0.7
141.01962	0.4
143.03510	2.6
148.05263	0.6
157.12280	0.3
159.03026	1.8
161.04578	7.0
162.04929	0.3
168.13019	0.3
172.12160	0.2
179.05598	0.5
183.13882	0.3
185.15477	3.5
191.02100	0.3
205.03558	0.3
241.00171	0.3
325.27475	1.4
329.19696	1.7
341.26898	0.4
343.28500	2.5
344.28967	0.4
347.20779	6.0
348.20914	0.5
367.28336	0.3
439.30679	0.7
451.30676	0.4
457.31711	0.8
469.31595	0.6
487.32751	46.7
488.33087	8.9
505.33813	26.6
506.34164	4.5
547.25470	2.5
547.34723	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2576
Annotation	[7'R(S),9R,10S]-7'-Deoxo-2'-deoxy-9,10-epoxy-9,10-dihydro-4'-hydroxy-7'-(1-hydroxyethyl)verrucarin A
Peak:m/z	Relative Intensity
54.90377	0.1
55.46157	0.1
58.72720	0.1
59.01372	0.6
61.98813	0.2
71.01376	1.0
71.19884	0.3
72.99310	0.2
73.02972	0.2
74.34549	0.1
75.00869	0.8
75.31379	0.2
76.18752	0.1
79.95741	3.8
80.96529	0.8
83.01402	0.2
85.02946	0.7
89.02499	0.2
95.95247	3.9
96.96020	48.0
97.95951	0.2
101.02451	0.5
122.97576	0.5
129.01952	0.6
138.97101	0.9
150.97084	1.1
151.97916	0.2
152.98645	0.2
159.02977	0.4
164.98645	0.3
167.07222	0.1
168.98123	0.5
177.02512	0.3
177.04060	5.5
178.04416	0.2
180.98206	0.2
194.99696	0.6
198.99228	0.2
208.48267	0.2
213.00697	1.0
222.99171	0.2
225.00749	0.4
241.00226	2.3
256.99710	4.9
349.19476	0.1
363.07495	0.3
405.12604	0.4
433.15189	0.8
447.16879	0.6
547.25732	100.0
548.26080	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67597	0.2
53.02168	0.2
59.01387	1.6
59.10519	0.2
61.98829	0.7
67.15994	0.2
70.09225	0.9
71.01380	1.5
72.99307	0.4
73.02957	0.3
73.84886	0.2
75.00893	1.0
79.95737	3.1
80.96509	0.9
83.01372	0.2
85.02959	0.8
89.02440	0.3
95.95245	3.3
95.95828	0.4
96.96019	46.5
97.95924	0.2
101.02433	0.6
119.35559	0.2
122.97598	0.7
126.32452	0.2
129.01933	0.5
138.97096	1.1
150.97072	1.0
151.97870	0.4
152.98598	0.2
159.02956	0.4
164.98686	0.3
168.98167	0.5
175.38817	0.2
177.04048	5.3
180.98112	0.4
194.99683	0.5
213.00766	0.7
225.00726	0.6
241.00294	2.2
256.99692	4.9
270.67084	0.2
363.07596	0.4
377.08948	0.2
405.12250	0.3
433.15344	0.8
436.42404	0.2
447.16953	0.9
487.33304	0.3
505.33942	0.3
547.25726	100.0
548.26074	18.2
548.34735	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.2
59.01380	1.7
61.98832	0.8
70.60184	0.3
70.60584	0.4
71.01387	1.3
71.75916	0.1
72.99306	0.4
73.02945	0.2
73.88445	0.1
75.00863	0.8
78.89630	0.2
79.95739	3.5
80.96528	0.8
85.02957	0.8
87.00904	0.2
89.02441	0.3
95.22267	0.1
95.95241	4.1
96.96021	47.3
99.00886	0.3
100.25670	0.1
101.02451	0.7
113.02444	0.3
114.75224	0.2
122.97594	0.6
129.01933	0.5
138.97096	0.9
150.97063	1.2
151.97900	0.2
158.00157	0.2
159.02991	0.3
164.98718	0.4
168.98161	0.5
177.04062	5.2
178.04405	0.2
180.98131	0.6
194.99687	0.3
198.98997	0.3
213.00795	0.9
222.99327	0.2
225.00787	0.7
241.00230	2.1
256.99741	5.0
257.99850	0.3
263.62787	0.2
291.19461	0.2
293.20203	0.2
363.07535	0.3
433.15475	1.0
447.16815	0.5
547.25739	100.0
548.26105	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	547.177
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55590	1.8
61.98838	18.1
63.64238	1.3
64.07747	1.4
64.60921	1.7
71.01379	4.5
71.73004	2.0
74.92686	1.4
78.95910	100.0
96.96093	1.8
99.15570	1.4
99.92599	26.3
110.98555	20.9
115.92097	19.7
116.92161	2.5
116.92889	15.4
151.01680	2.5
164.99602	6.0
167.01149	7.2
173.16444	1.6
177.24977	1.8
178.88394	5.0
179.89238	29.2
180.90102	17.9
181.90750	6.0
185.02254	2.2
193.90790	43.4
194.91637	20.1
195.91624	2.4
196.89508	98.3
197.89450	8.8
210.91168	8.3
211.91180	2.2
231.37540	1.7
236.92490	3.4
248.92622	2.9
249.93285	4.7
250.94061	6.1
252.92076	4.0
266.93677	6.1
267.94431	4.6
279.23343	19.5
362.74963	1.6
379.28622	14.6
417.31830	1.6
447.25159	5.5
499.15839	3.2
529.16687	14.9
530.16595	4.0
543.14380	8.5
547.17645	96.9
548.17902	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	547.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.3
57.03452	1.4
59.01378	16.9
60.01688	0.5
60.98988	0.6
60.99308	14.3
61.98833	15.4
63.51497	0.3
69.03457	0.6
69.80494	1.8
71.01391	4.8
72.99319	0.9
73.02956	2.0
75.00865	1.0
79.95742	1.4
83.01412	1.2
85.02962	6.8
86.03281	0.5
87.00881	1.3
88.98814	100.0
89.02448	2.3
89.99141	1.5
93.03466	0.5
95.95266	0.9
96.96025	14.4
97.02954	0.4
98.20528	0.4
98.95609	1.2
99.00876	0.7
99.04553	0.3
101.02461	2.8
109.02988	0.5
111.00893	0.9
113.02450	2.4
113.32861	0.3
114.93359	0.3
116.92906	0.6
119.03513	0.7
119.05055	0.8
125.02421	0.3
129.01956	0.9
134.03874	0.4
135.04529	1.1
137.02461	0.4
138.97115	0.7
139.11269	0.3
145.02908	0.7
146.03699	0.3
146.08273	0.4
147.02946	0.5
149.04588	1.0
150.03220	0.5
151.00357	0.3
157.08687	1.1
158.11681	0.3
160.04027	0.9
161.02472	0.8
161.04564	0.8
163.04005	0.8
165.04025	0.3
165.05440	0.4
167.03444	0.4
171.10297	0.3
179.03500	1.1
179.07083	0.4
181.12349	1.0
183.10178	0.4
190.02690	0.5
191.02019	1.0
193.05125	0.3
199.09763	0.4
205.03477	0.6
205.05197	0.4
223.04573	1.3
223.13367	0.4
227.06961	0.4
241.00217	0.8
256.99649	0.4
259.01361	0.5
267.07242	0.4
296.07278	0.6
296.57303	0.6
323.07806	0.3
399.16483	0.5
403.05359	0.4
415.23370	1.1
443.16449	0.4
443.22800	0.4
457.24155	0.4
461.10999	0.3
503.25140	1.0
505.26596	0.9
546.65869	0.4
547.14648	0.8
547.20404	2.9
547.27155	3.1
548.20624	0.7
548.28564	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.8
58.00597	2.7
59.01377	30.8
71.01383	7.7
71.28519	0.9
72.96056	0.5
72.99316	2.7
89.02451	23.5
91.04015	91.7
92.04372	2.0
135.03026	0.9
183.97641	0.4
187.63026	0.4
247.26001	0.5
267.63751	0.4
286.28937	0.4
307.29779	0.6
333.31827	1.4
335.33179	100.0
336.33533	14.5
353.34247	1.6
379.32166	48.1
380.32504	7.4
397.33224	54.4
398.33633	7.7
401.71194	0.4
435.93906	0.4
453.35812	38.1
454.36154	6.6
471.36893	57.3
472.37234	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	546.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69834	0.3
57.34245	0.3
59.01377	1.3
61.98831	100.0
64.27334	0.3
66.16308	0.3
69.85665	1.9
78.95911	2.8
96.96060	0.4
98.19894	0.5
99.92626	0.4
110.98566	0.4
123.00888	0.3
124.01665	0.4
125.02457	1.3
137.10992	0.3
139.15730	0.3
149.13278	0.3
152.99681	0.5
167.01285	0.3
180.89955	0.5
193.90819	0.9
196.89525	1.8
197.89543	1.0
210.91078	0.3
269.29926	0.3
277.21701	1.5
445.23560	0.6
528.15332	0.9
546.16119	1.7
547.16437	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44276	0.3
57.03448	0.8
58.00596	2.4
59.01378	30.5
60.01702	0.5
61.98831	2.4
62.53347	0.2
62.70200	0.3
69.03438	0.3
70.92041	0.5
70.92439	0.6
71.00996	0.5
71.01386	7.8
71.05032	0.4
72.99316	3.2
74.87050	0.2
80.02668	0.3
87.40776	0.2
89.02453	23.9
90.02776	0.5
91.04015	97.0
92.04322	1.9
134.94235	0.3
135.03001	0.6
307.30106	0.8
333.31500	1.6
335.33179	100.0
336.33524	15.4
351.32748	0.3
353.34137	1.7
379.32162	54.6
380.32483	7.9
397.33224	59.8
398.33545	8.3
453.35840	44.0
454.29889	0.7
454.36154	7.9
471.36887	65.3
472.37244	11.1
528.21271	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.2
57.03445	1.6
58.00596	0.8
58.82093	0.3
59.01379	100.0
60.01713	1.2
61.98829	5.4
69.03457	0.9
70.91373	0.8
71.01385	19.3
71.05053	0.5
72.99309	1.3
73.02955	5.4
75.00893	0.8
79.95771	0.7
81.03469	0.4
83.01393	3.8
83.05027	0.5
84.02184	0.3
85.02960	10.4
85.06599	0.8
86.00117	0.9
87.00881	1.8
89.02443	3.0
95.01400	1.6
96.96023	9.7
97.02937	1.6
97.06597	1.7
97.28604	0.3
98.95606	0.9
99.00892	3.2
101.02460	12.2
102.85743	0.3
111.00916	1.2
112.01674	0.5
113.02463	8.8
113.06090	0.4
115.03996	0.6
119.03532	0.6
121.10210	0.3
124.01688	0.5
125.02428	1.3
125.09742	0.6
129.01968	1.0
131.03581	0.4
134.60699	0.3
137.09827	0.4
141.02023	0.4
141.12869	0.4
143.03497	2.0
146.70888	0.3
159.03078	1.6
159.64273	0.3
161.04582	4.5
165.12961	0.2
177.04144	1.0
183.13931	0.3
185.00943	0.4
191.01971	0.3
197.11885	0.9
211.13441	0.5
213.18596	1.6
225.18658	0.8
241.00273	0.5
251.16493	0.3
253.09270	2.0
256.99796	0.9
281.24985	0.7
291.19577	1.8
293.25049	1.0
300.02783	0.3
301.03543	0.4
305.24738	1.5
307.26242	0.3
309.20715	4.8
310.21063	0.5
311.26028	0.7
323.25946	0.8
341.26993	3.5
342.27374	0.6
366.52588	0.3
375.24097	0.4
413.25693	0.9
425.29236	0.6
437.29440	0.6
449.29062	1.5
455.30475	1.2
467.30154	6.0
468.30542	0.8
485.31158	21.7
486.31613	3.8
503.32245	24.1
504.32468	3.8
504.38675	0.3
518.44690	0.3
545.06903	0.3
545.23456	2.8
545.33575	1.0
546.27417	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99780	0.1
55.01882	0.8
57.03455	1.4
58.00594	0.4
59.01380	100.0
60.01715	1.3
61.98829	3.4
68.99843	0.1
69.03461	0.5
71.01387	15.6
71.03298	0.1
71.05042	0.2
71.73150	0.2
72.01753	0.3
72.99326	0.9
73.02954	4.3
75.00892	0.5
79.95755	0.4
80.04462	0.1
81.03445	0.2
82.41950	0.1
83.01395	2.9
84.02164	0.2
85.02960	8.9
85.06610	0.3
86.00121	0.4
86.02393	0.1
86.03306	0.3
87.00883	1.0
88.04049	0.2
89.02455	3.2
89.02997	0.2
95.01398	1.7
96.96024	2.5
97.02969	0.7
97.06599	1.2
97.74233	0.2
99.00899	2.2
100.00286	0.1
101.02460	8.8
102.02822	0.1
111.00908	0.6
112.01698	0.3
113.02464	9.1
113.06111	0.2
114.02802	0.3
115.04063	0.2
119.03493	0.9
119.73626	0.1
121.10277	0.4
124.01673	0.3
125.02464	0.9
127.37141	0.1
129.01981	0.4
131.03514	0.2
137.09703	0.2
141.01994	0.2
143.03529	1.4
149.04578	0.8
155.11044	0.1
159.03004	0.9
161.04573	4.8
161.13309	0.1
162.04915	0.2
179.05734	0.2
197.15511	0.3
205.03679	0.2
213.18634	0.8
223.06035	0.2
225.18707	0.4
237.18465	0.2
241.00336	0.3
281.24942	0.4
293.21295	0.2
293.24792	0.3
300.03046	0.3
301.03522	0.4
305.24957	0.9
311.25940	0.4
323.26099	0.3
327.19836	0.2
341.26996	2.0
342.27142	0.2
357.22858	0.4
369.22549	0.2
375.23764	0.3
395.24283	0.3
413.25650	0.6
414.23010	0.3
425.28961	0.5
437.28958	0.4
447.09335	0.4
449.29120	1.6
450.29703	0.4
455.30261	0.5
467.30127	3.8
468.30655	0.7
485.31192	20.4
486.31503	3.6
503.32239	17.8
504.32544	3.2
545.27545	0.3
545.34283	1.4
546.27130	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08458	0.3
55.01860	0.4
57.03431	1.1
57.25576	0.3
58.00565	0.5
58.71635	0.3
59.01377	13.6
60.01695	0.3
61.98830	19.1
69.03446	0.3
71.01385	10.1
71.41932	0.7
72.01711	0.3
72.99302	0.7
73.02942	1.4
73.79227	0.2
75.00876	0.3
76.69634	0.3
79.95739	0.3
80.68169	0.3
81.03431	0.3
83.01369	1.1
83.05000	0.5
83.98692	0.3
85.02957	3.0
87.00873	1.5
87.01328	0.3
89.02447	8.5
92.43396	0.2
95.01385	0.9
95.95197	0.3
96.96025	3.4
97.02972	0.5
97.06609	1.4
98.95611	0.4
99.00873	0.6
101.02450	10.5
111.08182	0.5
113.02465	5.5
113.09741	1.8
115.07631	0.9
119.03516	2.3
123.04539	0.4
123.08143	0.4
125.06107	0.5
126.06857	0.3
131.03458	0.5
139.11281	0.8
141.09212	1.0
143.03529	0.6
145.02957	0.4
151.11217	0.4
155.10817	0.4
161.04585	4.3
163.11200	0.3
165.12857	2.6
167.10809	0.7
167.14432	1.9
179.05594	1.9
181.12341	2.3
182.12921	0.3
183.13841	0.5
193.12300	1.6
193.15953	0.7
195.13947	1.7
211.13390	3.0
211.95737	0.3
213.14955	0.6
217.06529	0.3
221.15457	2.1
221.19698	0.3
229.14436	0.8
235.08104	0.3
240.13614	0.9
241.00290	0.3
241.14421	0.4
247.20634	3.8
253.09270	34.9
254.09624	2.0
255.15689	0.4
263.19962	0.6
265.21671	0.5
271.89465	0.3
273.18582	2.7
274.18890	0.4
281.21210	1.7
291.19638	33.7
292.20035	3.8
309.20703	100.0
310.21048	12.8
311.22284	0.9
314.19040	0.3
485.31384	0.3
545.29700	16.8
546.29871	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	544.26
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.2
59.11336	0.1
61.98829	100.0
62.98534	0.3
64.78567	0.1
69.45984	0.1
71.01394	0.6
71.30876	0.3
73.02966	0.2
78.95951	0.1
79.95755	0.2
83.96071	0.1
85.02966	0.5
89.02457	0.4
95.95243	0.3
96.96024	2.0
99.00906	0.2
101.02473	0.4
111.96562	0.1
113.02470	0.4
119.03525	0.2
119.91373	0.1
121.29321	0.1
141.86467	0.1
153.06790	0.1
181.12428	0.2
204.25047	0.1
225.38078	0.1
241.00349	0.2
247.20714	0.2
253.09146	0.7
287.19638	0.1
291.19644	0.9
309.20691	3.3
425.41986	0.1
485.31253	0.4
502.96344	0.1
503.32385	0.4
544.29504	0.5
545.24121	0.5
545.31342	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	544.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47718	0.2
57.03474	0.2
58.91207	0.1
59.01377	4.4
61.98832	100.0
62.98541	0.2
69.03465	0.1
70.60094	0.6
70.98518	0.2
71.01394	1.1
71.11032	0.1
72.99319	0.3
73.02949	0.3
75.57365	0.1
78.95932	0.2
79.95747	0.6
80.96596	0.1
83.01391	0.3
85.02973	0.6
87.00894	0.2
87.04471	0.2
88.04591	0.1
89.02447	0.8
92.80099	0.1
95.01382	0.2
95.95267	0.3
96.96024	5.5
97.95987	0.2
98.95605	0.4
99.00896	0.2
99.04489	0.2
101.02440	1.4
103.00416	0.3
103.48927	0.1
111.08193	0.7
113.02462	0.7
119.03546	0.2
132.58452	0.1
135.04575	0.3
136.72678	0.2
143.03493	0.2
151.00438	0.4
156.00288	0.2
161.02498	0.4
161.04539	0.4
164.22511	0.1
169.12361	0.3
177.04095	0.2
183.13838	0.2
197.11852	3.5
199.13564	0.1
211.13512	0.5
253.09279	2.2
256.99814	0.2
263.20172	0.2
277.21851	0.2
287.05688	0.3
291.19562	1.1
293.18735	0.1
309.20715	4.3
309.24088	0.3
457.17719	0.2
458.17804	1.5
459.17667	0.3
484.28082	0.2
485.31378	0.2
500.18683	0.8
544.17688	1.2
544.28473	0.8
545.16797	0.3
545.24146	1.3
545.32178	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	2.5
61.98568	1.3
61.98832	14.3
62.96398	1.3
69.73501	1.9
69.73829	9.4
71.01370	4.0
78.95908	92.7
98.20708	1.4
99.92598	26.2
100.92645	1.8
110.98545	15.5
114.30133	1.1
115.92087	14.7
116.92105	2.7
116.92867	17.5
119.09412	1.1
150.98032	2.5
151.01680	3.3
152.63020	1.1
152.99588	2.9
155.95203	1.8
164.99583	5.8
167.01163	11.1
178.88416	5.0
179.89212	27.4
180.90033	15.7
181.90851	6.7
183.10735	1.2
193.90775	44.8
193.92543	2.5
194.87912	1.5
194.91623	15.1
195.92108	1.6
196.89494	100.0
197.89471	5.5
210.91110	7.1
235.91891	3.2
236.92542	2.3
248.92619	4.0
249.93230	4.1
250.94095	8.2
251.94615	1.5
252.92059	3.4
266.93692	4.5
267.94418	2.8
277.21698	16.6
279.26636	1.3
445.23511	5.0
458.08093	2.3
471.80292	1.3
497.13705	1.8
527.15125	21.4
528.15515	4.6
541.12726	8.0
542.13391	1.8
545.16058	74.3
546.16357	18.5
568.21515	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	545.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01096	1.4
59.01379	22.2
61.98823	4.4
69.54214	3.4
69.54652	5.7
71.01385	4.1
78.95928	0.9
85.02942	1.3
85.03470	1.0
87.00889	1.5
87.39440	1.0
89.02451	3.0
96.96009	6.5
98.20598	2.4
98.54418	1.0
101.02445	3.6
113.02434	1.6
118.79861	1.0
119.03484	1.0
161.04475	1.8
227.16101	1.0
235.08270	2.1
246.96373	1.3
249.18585	100.0
250.18932	9.1
253.09306	17.0
303.65012	1.1
485.32657	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	545.296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.4
57.03430	0.7
58.00583	0.6
59.01377	16.5
61.98830	4.4
69.03421	0.7
69.67987	1.2
69.68401	0.4
71.01385	6.5
72.99305	0.5
73.02944	1.2
79.95726	0.3
81.67886	0.2
83.01366	1.0
83.05006	0.4
85.02954	2.3
85.77623	0.2
87.00854	0.8
89.01929	0.3
89.02450	5.6
90.02782	0.3
91.04007	0.5
95.01379	0.8
95.05005	0.6
95.56102	0.2
96.96023	4.3
97.02929	1.0
97.06586	1.4
98.03745	0.3
98.95560	0.8
98.96460	0.3
99.00882	0.4
99.04544	0.3
101.02453	6.8
109.06573	0.3
111.00841	0.3
111.08123	0.6
113.02471	3.3
113.09724	1.5
115.07660	1.2
115.95903	0.2
119.03526	1.5
121.03017	0.2
123.04528	0.3
125.02492	0.3
125.06071	0.3
125.09689	0.3
129.01942	0.4
131.03503	0.5
135.04442	0.4
137.09692	0.5
139.11235	0.3
141.09210	1.1
143.03471	0.9
149.04497	0.2
151.00342	0.6
151.11250	0.5
153.09164	0.3
153.12843	0.4
156.19867	0.2
161.04584	2.5
163.11258	0.4
165.12840	2.8
166.13101	0.3
167.10756	0.7
167.14423	2.0
175.11214	0.3
177.12816	0.3
179.05563	0.8
181.12344	2.5
183.13870	0.9
193.12355	1.7
193.15994	0.6
195.13942	2.1
197.11774	0.9
199.13361	0.3
211.13367	2.9
213.14992	0.8
221.12022	0.4
221.15488	2.1
223.13422	0.2
227.12959	0.3
229.14473	0.9
229.19487	0.3
231.17696	0.3
235.08209	0.5
240.13739	0.8
241.14375	0.7
245.19109	0.2
247.20685	3.3
248.20953	0.4
253.09274	21.4
254.09689	1.4
263.20090	0.4
265.21603	0.6
273.18591	2.8
274.18915	0.3
281.21298	1.4
287.05634	0.7
291.19641	32.8
292.20013	4.2
309.20703	100.0
310.21048	12.8
311.22345	0.7
383.24319	0.4
459.17557	1.1
460.17297	0.3
476.22757	0.5
485.31155	1.2
501.18875	0.5
503.32315	0.6
545.29852	15.2
546.23755	0.3
546.30176	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	543.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69630	0.4
57.03446	0.8
59.01378	100.0
60.01718	1.7
61.98831	14.6
65.73400	0.3
69.03114	0.4
69.03466	1.2
71.01382	5.5
71.65324	0.6
72.99306	0.8
73.02950	1.7
79.95752	1.3
83.01395	0.7
85.02961	2.1
87.00899	0.7
89.02453	1.8
95.95249	0.9
96.96022	17.4
97.02979	0.6
97.94839	0.5
98.95608	0.6
99.00912	0.6
100.92801	0.3
101.02466	2.5
101.21051	0.3
109.06630	0.5
111.62870	0.4
113.02456	1.8
113.06086	4.1
119.03504	1.1
120.01228	0.4
127.07760	0.4
132.03033	0.4
137.06010	0.4
138.97122	0.8
143.03545	0.4
150.97064	0.4
161.04550	0.9
185.00912	1.2
241.00247	1.1
245.51392	0.4
256.99548	0.4
314.74570	0.4
339.25351	0.4
387.20322	0.8
448.15442	0.6
483.29712	2.3
484.30307	0.6
499.22232	0.4
501.30753	1.2
543.28528	16.5
544.29230	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69146	0.2
59.01379	100.0
59.23107	0.3
60.01719	1.3
69.60111	2.4
71.01387	1.8
73.02954	0.7
83.01430	0.3
85.02965	1.0
87.00858	0.3
94.26144	0.2
99.00881	0.3
101.02457	1.9
102.72523	0.3
112.16628	0.3
113.02469	0.7
118.95348	0.3
161.04578	1.5
184.56763	0.2
223.08243	5.9
228.93498	0.3
240.80058	0.3
275.20273	0.3
277.21716	35.9
278.22052	4.7
458.43115	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89595	0.2
57.03454	0.2
57.82963	0.2
59.01381	2.2
70.04884	0.4
70.05300	0.7
71.01385	1.2
72.99313	0.2
73.02965	0.2
75.00867	0.2
79.95275	0.3
79.95744	6.9
80.96533	0.2
83.01382	0.4
85.02972	1.0
87.00883	0.2
88.04046	0.9
89.02450	0.6
91.72857	0.2
94.98107	0.3
95.95251	0.6
96.96021	100.0
97.95947	0.6
98.19941	0.2
98.20467	0.4
98.95640	0.2
99.04564	0.3
101.02451	0.5
110.97623	0.3
111.04534	0.4
113.02465	0.3
115.00378	0.3
119.03448	0.2
120.01279	0.2
123.04540	0.2
166.02705	0.4
174.11464	0.2
177.87914	0.2
179.07097	0.3
181.05113	1.3
219.40128	0.2
221.75330	0.2
241.00195	0.6
259.01321	0.2
267.07233	0.2
269.08014	0.2
283.06207	0.2
283.19165	0.4
285.07742	0.4
298.08450	0.4
311.09213	0.2
312.09937	0.3
313.07095	1.6
313.10760	1.3
314.11105	0.2
325.11026	0.2
327.08618	0.2
328.09518	5.1
329.09921	0.5
343.11844	4.8
344.12167	0.6
358.14212	8.3
359.14532	1.2
453.08591	0.3
463.25427	1.6
468.10931	1.4
469.11331	0.2
507.22244	0.2
543.15137	47.0
544.15466	7.7
544.23083	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.7
59.01379	2.7
61.98805	1.2
67.01925	1.6
68.99809	1.7
70.13319	4.8
71.01395	3.1
72.99309	1.7
75.00902	1.2
79.34872	1.2
83.01392	22.7
85.02957	2.6
93.03471	18.4
94.03852	1.3
96.96029	6.2
99.00896	9.7
100.32787	1.2
101.02530	1.1
109.02935	1.4
111.00887	5.7
115.00375	14.1
117.03490	5.1
119.05039	13.4
121.02966	2.7
123.04568	1.4
125.37881	1.1
127.00445	2.2
129.01987	2.1
131.05034	2.7
133.02963	2.4
133.06612	96.7
134.03734	2.5
134.06924	5.3
135.04591	2.0
139.00377	8.0
143.05049	2.6
145.02972	14.9
145.06596	6.2
147.04538	13.7
149.06084	13.8
157.01491	4.8
157.06618	1.1
159.04509	5.4
161.06081	4.3
163.03992	1.7
165.02037	1.4
165.05565	3.5
169.06641	1.2
171.04512	4.9
171.08156	4.0
172.05235	1.7
173.06061	6.9
177.05583	46.4
178.05945	3.2
185.06042	2.0
187.04027	8.2
187.07642	7.6
188.07964	1.4
189.05568	6.7
190.05833	1.4
191.07138	2.7
193.05020	7.1
203.07161	2.1
205.08749	1.4
207.06621	1.9
215.03534	3.8
215.07138	15.7
217.05066	19.8
218.05389	1.7
221.04552	100.0
222.04932	8.1
231.06651	5.9
243.02893	5.2
259.06107	5.1
261.04010	37.3
262.04413	4.1
275.05560	10.1
277.07080	4.7
303.05099	40.5
304.05466	3.9
321.06149	53.1
322.06342	3.9
365.08725	7.6
377.12540	1.4
383.09836	43.7
384.10126	6.6
421.11560	3.9
423.09433	3.3
437.10782	2.5
439.12460	1.4
465.10391	46.2
466.10699	5.7
483.11502	5.0
521.44037	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	541.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92820	0.3
57.03454	0.5
59.01379	100.0
60.01732	0.8
61.98830	3.9
69.02486	0.3
69.03461	0.5
69.12083	0.4
69.42532	2.6
69.42953	1.0
70.45096	0.3
71.01389	4.0
72.99318	0.5
73.02964	1.3
75.00925	0.4
79.30360	0.3
79.95740	3.5
80.96537	0.5
83.01421	0.7
85.02960	2.2
87.00887	0.4
88.78726	0.4
89.02454	1.7
95.01421	0.5
95.95243	4.4
96.96026	11.3
98.20655	0.7
99.00905	0.6
101.02457	2.7
107.30576	0.3
113.02484	1.7
119.03529	0.5
125.02512	0.4
128.03593	0.5
138.97073	0.5
150.97060	1.9
151.97845	0.7
161.04665	0.5
161.09808	0.3
191.86514	0.4
241.00319	0.9
269.53406	0.4
337.24152	0.4
384.03387	0.4
404.64264	0.4
444.14575	0.5
481.28058	1.3
499.22247	0.4
499.29019	0.9
541.17853	2.9
541.27643	4.9
542.17944	0.9
542.28217	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	541.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09194	0.2
59.01373	0.8
61.65601	0.2
61.98831	100.0
62.96609	0.2
71.01371	0.2
80.06954	0.2
80.59731	0.2
93.41686	0.2
98.20673	0.4
126.09283	0.2
128.07201	0.9
138.10579	0.2
149.05365	0.2
162.92847	0.2
200.09334	0.8
229.76784	0.2
277.21796	0.9
478.31805	2.2
479.32532	0.4
568.65277	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.164
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85299	0.2
54.24295	0.2
57.03476	0.5
59.01430	9.6
60.01751	0.4
61.98831	14.0
69.03493	0.5
70.01395	0.2
71.01384	2.3
72.99361	0.4
73.03033	0.7
74.02529	0.4
75.00934	0.6
79.95747	1.6
80.96606	0.8
83.01421	0.4
85.02960	1.6
87.00949	0.3
89.02526	0.9
93.03542	0.6
95.01446	0.4
95.95306	0.3
96.95430	0.7
96.96021	19.6
97.03024	0.2
97.65250	0.2
97.96014	0.5
98.95685	1.4
99.00957	0.4
101.02470	1.4
103.00384	1.3
103.04121	0.8
104.21820	0.3
108.02243	0.5
109.02958	2.3
111.00954	0.5
113.02480	1.4
118.72553	0.2
119.03545	0.4
119.05082	0.3
120.01250	0.3
121.02984	1.7
123.04558	0.2
124.01805	0.3
125.02522	0.4
131.01508	0.2
131.03564	0.3
133.03038	0.8
133.95605	0.3
137.02570	0.6
139.04121	0.5
145.02980	1.2
146.03812	0.3
147.04620	0.5
148.01811	0.9
149.02437	1.8
149.04575	0.3
154.99869	0.3
160.07788	0.7
161.02455	1.2
161.04655	0.4
161.07378	0.3
162.03346	0.3
163.00369	1.2
163.04048	0.3
164.98727	0.4
165.01929	0.2
174.03325	0.5
175.00365	2.9
175.03984	0.4
176.01221	0.9
177.01907	1.5
178.08836	0.4
179.10704	0.3
180.98346	0.4
187.00569	0.2
188.01213	0.4
189.01953	3.0
190.02715	0.6
191.03593	0.5
196.05286	0.3
198.03186	0.3
201.02078	0.9
201.05759	0.2
202.02899	0.4
202.08795	0.5
203.03590	1.1
209.03120	0.3
211.04047	1.2
214.02756	0.4
215.03516	0.3
217.01506	0.5
218.16156	0.3
221.06152	0.4
224.04803	0.2
225.05536	1.1
226.03041	0.3
226.53644	0.2
227.03642	0.7
229.05112	0.4
230.04678	0.5
230.08170	0.3
237.05588	0.4
239.03560	0.4
240.04352	0.5
241.00316	0.7
241.05008	1.4
242.02475	0.5
243.03059	0.4
246.07666	5.3
246.09924	0.3
247.08144	0.5
249.05759	0.7
251.03589	0.3
253.04999	1.4
254.02098	0.3
254.05865	0.3
255.03094	1.8
255.06558	0.3
256.03674	1.5
257.04459	0.4
258.07724	0.5
264.04385	0.3
265.05066	1.3
266.05817	0.4
267.03036	1.0
267.06458	1.1
268.03741	0.6
269.04565	2.4
270.01746	1.9
270.04565	0.3
271.02469	1.7
273.71637	0.3
274.07120	1.7
279.03055	1.0
280.03891	0.6
281.04617	1.0
282.01855	0.7
282.05121	0.3
283.02542	6.0
283.06122	0.9
284.03207	2.2
285.04092	1.1
293.04633	1.8
295.02576	2.2
295.05786	0.4
296.03265	0.8
297.04062	8.5
298.04599	1.0
299.02017	0.7
300.02725	0.6
304.11118	0.4
306.12491	0.3
306.16180	0.4
309.04089	0.8
311.02036	2.0
311.05679	3.2
312.02621	1.8
312.05969	0.4
313.03497	4.4
314.04083	0.6
318.12830	0.4
318.16391	0.9
320.14053	0.6
325.03546	14.2
326.04221	4.7
327.04980	1.9
332.14099	0.3
332.17880	0.6
334.12094	0.4
334.15775	0.8
336.17270	0.9
338.04376	1.8
339.05090	3.9
340.05844	1.3
348.17181	0.7
350.10413	0.7
352.12277	0.3
360.17181	0.7
362.15125	0.6
365.06924	0.3
366.09830	0.9
368.11304	0.9
376.16913	0.5
378.18356	0.6
380.07706	1.4
395.10114	37.0
396.10837	36.7
397.11234	4.1
404.16122	1.9
410.13803	0.4
422.17236	1.2
423.92844	0.2
430.14328	0.3
443.80182	0.2
448.15115	7.2
449.15390	1.1
455.15079	0.8
455.19742	1.2
456.15918	3.7
456.20383	2.8
457.15875	1.1
463.25595	0.3
466.16165	0.4
480.18011	0.3
483.17175	0.4
492.13794	0.5
497.19635	0.2
498.17365	2.3
498.20325	1.5
499.16510	0.4
499.20670	0.3
524.16412	0.8
541.33490	0.3
542.16577	100.0
543.16766	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	3.5
58.00595	4.0
59.01379	77.7
59.14607	1.1
60.01713	1.3
60.11459	1.1
61.98834	3.0
71.01384	59.4
71.72173	1.6
72.99308	4.2
73.02959	2.3
75.00893	2.1
78.95896	2.0
79.95760	4.1
83.01406	3.3
85.02960	17.4
87.00893	4.7
89.02453	100.0
94.98061	1.1
95.01399	3.5
95.95254	1.9
96.96022	40.2
98.95604	4.0
99.04517	1.6
100.74783	1.2
101.02457	29.5
108.26820	1.2
111.00882	1.5
113.02462	29.2
114.05573	1.7
115.00358	1.4
119.03521	37.6
119.05116	2.3
120.01279	1.2
121.55183	1.1
122.78040	1.2
125.02467	2.0
129.01979	1.5
130.08765	5.3
131.03522	3.3
138.97081	1.6
143.03496	9.1
149.04564	4.6
153.01985	1.3
161.04591	14.9
163.04042	1.4
164.98616	1.5
165.05669	1.3
172.09819	5.4
179.05621	62.4
180.05965	1.5
191.01981	4.4
195.04646	2.0
195.06551	1.7
195.78514	1.2
205.31729	1.3
209.03047	1.9
212.04822	2.3
213.05598	13.3
215.14024	1.7
223.04056	4.4
224.00288	1.2
224.04709	1.7
225.05486	3.3
240.04245	8.0
240.07967	2.5
241.00169	5.6
241.05054	59.9
242.05379	4.5
255.06633	19.0
256.07388	39.1
257.07690	3.3
270.08963	16.6
271.09735	66.8
272.10129	5.9
301.10809	17.5
302.11087	2.6
319.08139	2.5
345.14719	1.8
349.09317	1.7
363.11816	1.2
403.06039	1.3
455.12057	3.8
495.82489	1.7
497.13104	1.2
509.41238	1.3
541.11438	5.8
541.18903	5.7
542.17853	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	541.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	2.7
57.03462	2.5
58.00581	1.8
59.01378	58.2
60.01725	0.8
61.98830	5.5
65.37909	0.4
68.99797	0.7
69.03457	1.1
69.48242	4.2
71.01384	31.7
72.99304	2.5
73.02946	7.1
79.95734	0.9
81.03430	0.6
83.01394	5.2
85.02959	12.0
87.00908	2.8
89.02449	22.1
95.01391	2.4
95.95228	0.7
96.96014	12.1
96.96597	1.0
97.02953	2.8
99.00893	6.0
101.02453	31.8
111.00861	1.1
113.02464	12.2
119.03520	9.5
121.02980	0.7
125.02441	2.0
129.01947	0.7
131.03529	1.2
143.03520	4.4
149.04581	1.0
159.30377	0.4
161.04572	3.8
179.05618	4.8
185.04579	3.0
228.90137	0.5
238.08618	0.6
241.00241	0.6
245.06813	0.7
287.16498	0.5
300.59341	0.5
305.17429	0.9
309.04544	0.5
319.21188	8.1
320.21677	0.8
364.32718	0.5
455.15305	1.1
481.26511	100.0
482.26843	16.7
541.27307	3.7
542.28644	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41415	1.0
55.01836	1.1
57.03442	3.1
58.00584	3.9
59.01381	79.6
60.01715	1.2
61.98825	3.7
65.22852	1.0
70.84990	3.6
71.01387	58.9
72.99310	4.1
75.00865	1.9
78.95911	2.1
79.95746	4.4
83.01384	2.5
85.02969	15.5
87.00888	6.6
88.98837	1.6
89.02457	100.0
90.02815	2.4
93.03426	1.1
95.01395	4.4
95.95261	2.3
96.96025	35.4
98.95609	5.1
98.96406	0.9
99.00935	1.4
99.04529	1.1
101.02456	34.3
111.00869	1.2
113.01711	1.5
113.02467	26.8
119.03519	33.2
119.04923	1.9
120.01300	1.6
120.03912	1.3
125.02470	2.5
130.08725	3.9
131.03568	5.0
131.04326	1.1
135.04504	1.5
138.97029	1.3
143.03529	11.5
144.03912	1.6
147.03067	1.5
149.04564	4.3
150.03246	1.5
153.01956	1.3
153.05528	1.8
161.04585	14.9
163.04019	1.4
165.05556	3.0
172.09811	4.7
179.05629	60.8
180.05988	1.7
180.74728	1.0
185.06070	2.6
191.02008	3.6
195.04575	1.7
197.06166	1.4
203.52629	1.0
212.04793	2.1
213.05585	14.6
214.05907	1.1
215.13976	1.6
223.04056	2.4
225.05544	3.6
227.07086	1.1
240.04314	5.7
240.07999	3.0
241.00247	4.5
241.05066	61.4
242.05403	7.0
243.00064	1.2
255.06648	21.8
256.07385	44.6
257.07837	4.4
270.08939	17.8
271.09738	70.0
272.09949	5.9
301.10812	17.7
302.11249	1.2
315.13336	1.5
319.08209	1.5
327.13382	1.7
345.14825	1.4
347.11545	2.9
405.48581	1.3
455.12247	2.8
541.10425	4.4
541.18036	6.0
542.17383	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	6.3
63.99491	0.3
70.01950	1.0
70.02360	0.8
71.01374	0.7
73.02917	0.4
79.95270	0.5
79.95741	10.5
80.85075	0.3
80.96523	3.1
85.02950	1.2
85.46745	0.3
87.00889	0.8
87.20433	0.3
95.95243	4.4
96.96021	100.0
98.20775	0.3
101.02447	1.2
103.00384	7.4
104.74155	0.3
110.97606	1.1
113.02465	0.6
122.97612	0.4
134.97636	0.5
138.97095	0.8
143.03583	0.5
149.02467	1.4
150.03246	4.0
150.97083	1.1
152.98601	2.2
153.05566	1.0
161.02435	0.4
163.90518	0.3
164.04788	1.1
164.98645	6.9
165.05588	5.7
166.05945	0.4
180.98102	2.2
194.99699	0.6
195.06635	0.7
222.99174	0.6
225.00761	1.5
241.00226	8.7
242.00539	0.4
267.01801	0.5
283.01187	0.7
285.02930	0.8
327.04114	0.5
369.11801	0.5
437.07837	1.5
455.08612	44.8
456.08884	5.5
479.08716	0.7
497.09686	49.9
498.10062	6.5
523.07526	1.3
541.08588	28.4
542.08856	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	541.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57991	1.1
56.67440	0.2
57.03448	1.4
59.01380	20.9
60.01731	0.3
61.98831	13.2
69.03491	0.4
69.67025	2.3
71.01387	3.3
73.02953	1.6
75.00905	0.4
78.95982	0.3
79.95743	7.1
79.96191	0.4
80.96525	3.3
83.01400	0.7
85.02959	2.3
87.00866	0.7
87.04499	0.5
88.46652	0.2
89.02463	1.1
95.95265	0.6
95.95976	0.2
96.96022	100.0
97.95943	0.4
98.19885	0.5
98.95605	0.8
99.00893	0.4
101.02449	3.4
101.38432	0.2
103.00384	10.3
103.04021	10.3
104.93415	0.3
109.02957	0.7
113.02467	2.0
117.39933	0.3
119.03515	0.7
120.95969	0.4
121.02939	0.8
122.97554	0.6
137.02426	0.5
138.97029	0.7
143.03468	0.6
145.02902	0.4
149.02419	0.6
150.97026	0.4
152.98543	1.2
154.45215	0.3
161.02483	0.3
161.04454	0.9
163.00252	0.3
164.98637	4.3
175.00325	0.8
180.98151	2.6
185.00816	0.3
189.01822	0.5
223.13095	0.4
241.00244	2.8
246.07753	1.3
255.02817	0.5
267.06781	0.3
270.01468	0.4
271.02097	0.3
274.06863	0.4
283.01907	0.9
283.05411	0.4
293.04147	0.6
297.03455	1.2
311.04968	0.4
313.02771	0.9
325.02890	3.0
326.03680	0.9
339.04517	0.8
395.09094	8.0
395.14865	0.7
396.09863	6.1
396.15652	0.7
421.95526	0.3
437.13733	0.9
448.14102	0.3
455.14572	42.8
455.25540	2.2
455.28378	1.7
456.14780	4.8
497.15573	19.9
497.27435	1.2
498.15836	2.3
523.13135	0.4
541.14874	28.4
541.27087	0.9
541.31146	1.7
542.14777	24.1
542.27618	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12636	0.4
57.03450	1.6
57.33966	0.4
59.01380	29.3
61.98832	12.6
69.03461	4.3
69.61994	0.9
69.62400	3.0
71.01385	7.4
72.99316	1.5
73.02954	3.6
75.00889	1.7
78.95934	1.2
79.95751	6.8
80.44749	0.4
80.96526	3.1
83.01408	1.4
85.02953	6.4
87.00891	1.5
88.65926	0.4
88.98815	3.3
89.02471	2.5
95.01382	0.8
95.09441	0.5
95.95239	2.3
96.96021	100.0
97.02981	1.1
98.19885	1.0
98.95614	1.9
99.00874	2.2
99.04557	0.8
101.02460	5.1
103.00394	8.2
111.00869	0.7
113.02439	2.8
119.05045	1.9
121.02910	0.6
125.02442	0.9
129.01949	0.7
138.12381	0.5
138.97098	1.0
143.03552	0.7
147.03069	0.7
148.96426	0.6
150.97029	0.6
152.98651	1.6
161.04550	1.7
164.98666	4.1
165.13034	0.8
166.05202	0.6
167.03484	0.5
180.98088	1.9
183.13940	1.1
185.00946	3.1
187.06018	0.5
187.11307	0.6
191.01884	0.8
195.06688	1.0
211.13399	15.6
212.13698	0.9
225.00705	0.7
236.09497	0.5
238.98421	0.6
239.11794	0.7
240.12051	0.8
241.00217	4.6
247.00258	0.5
249.10272	0.7
250.10747	0.8
251.11879	1.2
252.12233	0.8
253.09184	1.9
256.99817	3.1
263.08054	1.0
264.08954	3.3
265.09372	4.0
266.09824	0.7
267.07257	0.5
278.06918	0.7
278.10059	0.9
279.07373	0.6
279.11404	3.0
280.11765	4.4
290.10382	0.5
291.07657	1.1
292.08411	4.8
293.08923	5.0
294.09421	0.8
301.03104	0.6
306.09897	1.6
307.10880	7.8
308.11209	11.4
322.20337	0.5
350.08826	2.3
351.09656	7.3
352.10165	6.8
353.10526	0.6
365.11435	1.6
366.11853	3.5
384.12820	1.8
397.11652	2.0
417.16443	0.5
433.24722	0.6
435.16586	2.8
439.13095	0.6
447.22192	1.7
451.16504	0.6
453.17975	81.0
454.12253	0.9
454.18295	10.3
463.20544	0.7
474.16571	0.6
479.32178	1.7
492.17224	2.7
495.19016	41.5
496.19327	5.6
506.19153	1.7
507.19568	16.5
508.19162	2.1
521.16669	1.1
524.19849	2.7
538.22058	0.7
539.17499	59.9
540.18024	11.0
540.27325	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	16.8
58.03774	0.3
59.01381	7.2
59.79134	0.3
61.98840	0.4
63.05525	0.3
71.01382	3.1
71.72295	0.5
72.99312	0.6
73.02958	0.7
75.00887	0.5
78.95891	0.3
79.95742	4.5
80.96529	1.8
83.01389	0.7
83.34256	0.3
85.02953	3.3
87.00884	1.0
89.02480	0.8
92.21786	0.3
95.95246	1.3
96.96023	86.6
99.04530	13.6
100.04879	0.4
101.02452	7.1
111.00890	0.4
113.02474	0.9
119.05013	0.4
120.01321	0.5
123.04542	22.7
124.04848	0.8
125.02485	1.5
128.38158	0.3
129.01936	0.7
134.03857	0.3
134.97626	0.3
136.01605	0.3
136.05276	0.5
138.97105	0.8
143.03526	0.5
147.03050	0.4
149.02399	0.4
149.06107	0.4
150.03242	1.2
150.97035	0.4
151.04030	1.1
152.98628	0.6
153.05592	48.4
154.05905	2.3
161.04576	10.3
162.04933	0.5
163.11298	0.6
164.98671	2.4
165.05553	1.5
180.98141	0.4
191.02020	0.7
195.06653	1.3
209.03108	0.5
222.99216	1.9
223.06148	0.5
225.00758	0.7
229.93407	0.3
241.00253	5.7
247.10953	0.3
267.07074	0.4
283.01285	0.7
311.95340	0.3
315.10861	3.1
323.04370	2.2
325.02420	1.1
343.11810	1.6
346.66949	0.3
357.11920	0.8
357.97638	0.3
377.05414	0.8
385.04550	3.9
386.04776	0.4
387.16586	0.6
391.14017	2.0
395.06558	1.8
437.07361	0.4
449.14755	0.4
453.18155	0.3
459.14877	0.9
477.10544	0.5
479.08685	1.1
495.18991	0.5
539.10693	100.0
539.17297	4.0
540.10944	13.3
540.17175	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	14.2
69.66150	3.0
69.66480	0.5
71.01384	2.1
73.02947	1.5
74.90411	0.3
78.56689	0.3
79.95744	6.0
80.96510	3.1
83.01414	0.4
85.02972	0.8
89.02480	0.6
95.95255	1.3
96.96018	91.5
98.95554	0.4
99.00923	0.4
101.02446	2.2
103.00382	10.4
113.02483	0.5
124.94496	0.4
125.02395	0.5
138.97000	0.4
150.97101	0.5
152.98642	1.1
164.98653	3.8
180.98088	1.5
222.99153	0.6
241.00232	3.1
256.99765	1.3
334.40497	0.4
335.76785	0.4
379.10513	0.4
435.16815	1.9
453.17969	100.0
454.18271	11.8
495.19016	47.2
496.19345	6.6
521.16925	1.5
539.17963	64.4
540.18353	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	539.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69461	0.6
55.62940	0.6
57.03443	2.2
59.01378	26.7
61.98836	8.8
69.03455	1.8
69.40829	4.6
69.41253	2.2
71.01379	7.3
72.99312	2.4
73.02950	2.3
75.00887	2.1
78.95892	0.6
79.95741	13.0
80.96520	2.0
83.01400	2.4
85.02954	8.6
87.00882	2.5
88.98825	1.2
89.02448	3.4
95.01351	0.7
95.95237	4.3
96.96021	100.0
97.02930	1.3
98.95599	3.3
98.96369	0.8
99.00892	2.2
99.04549	0.9
101.02479	4.2
103.00380	10.1
108.02159	1.1
108.04595	0.8
111.00845	1.1
113.02454	3.3
119.03523	0.6
119.05049	0.7
120.01276	1.5
120.99680	0.8
123.00859	0.9
123.04525	1.0
125.02457	2.1
129.01978	1.2
134.03767	1.3
135.04552	1.0
137.02425	1.0
138.97098	1.5
143.03540	0.9
145.02931	0.7
147.02982	0.7
149.02388	0.7
150.03142	1.0
150.97061	2.2
152.98625	1.6
153.01952	0.7
164.98581	2.9
165.05576	1.6
175.02451	1.3
177.04240	0.5
178.02573	0.8
179.10739	0.7
180.98120	1.7
181.08708	0.9
185.00922	0.9
191.01945	1.3
193.04984	1.7
209.03020	1.2
211.06056	2.5
211.13361	1.2
229.14311	1.1
241.00195	6.2
249.05989	1.0
256.99567	2.6
267.07181	1.7
283.01193	0.9
297.07611	0.7
312.09900	0.6
337.12076	0.6
377.28513	1.0
407.21317	0.6
432.23007	0.7
435.16498	2.5
453.18008	73.9
454.18298	9.6
459.11810	0.8
473.16452	2.3
478.30426	1.0
479.31339	0.6
484.35834	0.7
495.19116	40.0
496.19492	5.4
521.16937	1.1
538.32959	1.0
539.17633	55.5
539.33911	2.1
540.18024	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	537.3064
Annotation	Integristerone A 25-acetate
Peak:m/z	Relative Intensity
52.67170	0.8
59.01377	100.0
60.01701	2.0
61.95452	0.9
61.98822	3.2
63.40533	0.9
70.80590	2.7
88.98820	3.4
96.96020	2.1
111.18801	1.1
152.99556	0.9
171.10262	7.5
209.11810	0.9
211.13344	2.0
212.75031	0.9
233.15483	2.7
249.14958	4.2
263.20160	1.3
271.02533	0.9
300.02585	1.2
301.03400	1.6
403.24609	1.0
447.09103	2.0
459.27414	13.2
460.27634	3.3
477.28540	13.2
478.28897	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	537.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51918	0.4
57.03437	0.5
59.01379	20.7
61.98836	2.8
67.58886	0.3
71.01385	3.6
71.03913	0.7
71.04290	0.6
73.02965	2.8
75.00897	0.4
79.95741	7.0
80.96516	3.1
83.01385	0.8
85.02966	2.9
88.98817	0.5
89.02448	1.3
95.95223	1.0
96.96021	100.0
97.02940	0.4
97.95947	0.5
98.22117	0.4
98.95602	1.2
101.02454	2.5
102.99705	0.6
103.00387	10.2
113.02464	1.2
119.03548	0.4
122.97588	0.5
125.02489	0.7
129.01924	0.3
138.97069	0.9
143.03471	0.5
150.97107	0.9
152.98637	1.1
164.98663	3.6
165.98680	0.3
180.98151	2.2
191.02065	0.4
193.05011	0.3
217.15681	0.3
238.61263	0.3
241.00252	4.3
254.86353	0.3
256.99695	1.0
293.54321	0.4
300.02881	0.3
324.40915	0.3
433.15521	2.3
433.28223	0.3
434.15872	0.6
447.09546	0.4
450.15720	0.4
451.16415	86.5
452.16736	11.4
493.17474	40.1
493.22897	0.8
494.17770	6.5
519.15546	1.3
537.16376	51.3
537.32788	4.1
538.16748	9.4
538.25061	0.6
538.33215	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	13.9
60.01693	0.5
69.61529	1.4
69.61964	1.4
71.01379	2.4
72.99316	0.3
73.02969	1.6
79.95740	7.5
80.96518	2.9
83.01396	0.7
85.02953	1.3
89.02455	0.9
95.95238	1.8
96.96021	100.0
97.95998	0.6
99.00890	0.3
101.02458	2.2
103.00384	10.4
110.48764	0.3
113.02503	0.8
135.47295	0.3
138.06926	0.3
138.97063	0.5
150.97073	1.1
152.98651	1.8
164.98650	4.4
173.57150	0.3
173.71278	0.3
180.98141	2.0
222.99194	0.3
229.53392	0.3
241.00215	4.9
245.83656	0.3
256.99689	2.1
277.59116	0.3
285.02869	0.5
379.10553	2.3
393.11966	0.3
433.15439	2.4
434.16061	0.5
451.16431	93.8
452.10382	0.6
452.16730	12.2
493.17474	38.2
494.17865	5.4
505.05579	0.3
519.15265	1.3
537.16431	41.0
538.16809	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	537.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.4
57.03442	1.6
57.32607	0.3
58.00584	0.4
59.01379	24.4
59.63038	0.3
60.01707	0.4
60.99313	0.6
61.98834	7.8
67.01959	0.3
69.03456	1.3
70.87611	0.3
71.01386	6.0
71.73010	0.4
72.99312	1.0
73.02956	2.6
75.00889	1.5
79.95744	18.7
80.96528	2.6
83.01398	1.4
85.02958	6.6
87.00890	1.1
88.04012	0.4
88.98814	3.1
89.02454	2.0
95.01379	0.8
95.95244	4.3
96.96021	100.0
97.02934	0.7
98.95616	1.3
99.00870	1.6
101.02452	3.6
103.00381	10.3
108.02149	0.7
111.00885	0.6
113.02482	3.0
119.03513	0.6
119.05006	0.5
122.97593	0.7
123.04519	1.0
125.02437	1.0
129.01956	0.9
131.03548	0.4
134.03685	0.5
134.97597	0.5
138.97131	1.7
140.60229	0.3
143.03528	0.3
145.02934	1.5
147.03053	0.7
150.03172	0.5
150.97075	2.8
151.00389	0.3
152.01212	0.3
152.98622	2.0
160.04044	0.4
161.02422	0.4
161.04614	0.9
163.04028	0.3
164.98653	3.2
165.05586	0.6
167.03525	1.8
169.01434	1.3
169.08768	1.5
175.04042	0.3
177.04065	0.5
180.98093	1.6
185.00975	0.7
190.71178	0.3
191.01956	0.9
191.03560	0.4
193.05110	0.8
194.99693	0.7
197.01291	0.4
198.99040	0.4
203.49242	0.3
205.03761	0.5
217.12640	0.3
223.13461	0.4
238.98740	0.5
241.00281	4.7
249.06113	0.7
256.99734	2.2
267.07288	0.4
271.02417	0.6
279.11548	0.4
287.22220	2.7
292.08630	0.3
300.02759	1.0
301.03494	0.9
307.10889	0.9
350.09061	0.6
351.09805	1.1
375.27515	0.6
389.53665	0.3
431.22845	0.3
433.15521	1.4
447.09485	2.2
451.16415	83.1
452.16757	11.8
470.66125	0.6
475.26117	0.3
493.17465	39.7
494.17767	5.4
501.13855	0.4
505.20377	0.5
506.19022	0.9
519.15363	1.1
536.31763	0.6
537.16309	52.6
537.23083	3.6
537.31372	4.4
538.16418	8.8
538.30823	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.4
56.91998	0.4
57.03442	0.9
57.37298	0.4
59.01387	3.0
61.98830	1.0
64.02163	0.4
64.29153	0.4
71.01377	2.8
71.71828	0.8
73.02959	1.1
78.95920	0.6
79.95747	4.9
80.96527	2.4
85.02970	3.1
87.00874	1.3
89.02460	1.3
93.03471	1.3
95.95252	2.1
96.96024	86.8
97.95953	0.5
99.00893	0.5
101.02476	2.1
107.13608	0.5
109.02950	0.5
113.02483	2.4
117.03481	0.9
119.03558	0.8
119.05040	2.9
122.97639	0.7
124.87995	0.4
129.01961	0.5
129.91180	0.5
133.06612	5.1
134.03751	0.5
138.97075	4.6
143.03548	0.5
143.05138	0.5
145.02971	8.4
145.06563	1.0
147.14507	0.4
149.06078	0.7
150.97107	1.8
154.90657	0.4
157.89082	0.4
159.08041	0.5
161.06058	0.7
163.04015	0.7
164.98569	0.5
173.06137	2.2
177.01985	0.8
177.05602	0.5
180.98161	1.2
185.06143	0.6
187.07658	0.7
189.05576	0.6
191.02002	1.7
191.07118	1.2
198.99207	2.6
203.07137	3.2
205.05055	0.7
209.03033	1.4
215.07137	3.6
215.67097	0.5
219.06624	0.5
222.99200	0.6
225.00827	1.3
233.08159	1.1
241.00243	11.5
247.06189	0.6
259.01337	3.0
259.06149	1.5
283.01276	0.6
285.02518	0.5
297.08755	1.2
341.48758	0.7
353.11420	0.5
373.10480	0.9
395.31076	0.5
406.05679	0.6
476.47885	0.5
477.07101	1.4
478.07614	0.6
507.08386	1.4
513.18683	0.6
537.09125	100.0
538.09424	15.6
538.16406	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37136	0.4
57.03441	0.5
59.01380	17.8
61.98836	0.4
65.72746	0.4
65.98492	0.4
69.40012	0.5
69.40415	4.0
71.01384	2.8
71.60100	0.5
73.02930	1.1
79.95742	15.8
80.45320	0.4
80.96519	2.1
83.01395	0.7
85.02956	1.8
88.98827	0.6
89.02436	2.1
95.95242	4.3
96.96021	100.0
101.02483	2.0
103.00381	12.7
122.97605	0.7
138.97092	0.7
150.97092	2.6
152.98627	2.2
164.98631	2.6
168.45482	0.4
171.90924	0.4
177.04010	0.4
180.98151	2.2
194.99690	0.6
195.06647	0.8
198.99252	0.6
209.08127	0.7
225.00821	0.9
238.98669	0.7
241.00235	4.7
256.99713	3.8
259.01291	0.6
433.15259	1.8
447.09460	0.6
451.16415	91.9
452.16730	13.0
493.17502	40.3
494.17850	5.7
519.15253	1.2
537.16370	45.9
538.16571	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	537.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28362	0.7
57.03436	1.7
59.01374	6.9
60.99304	17.3
61.98821	0.8
71.01387	4.1
71.16483	1.7
72.33615	0.6
72.99329	1.0
73.02955	1.3
79.71714	0.5
83.01399	1.5
85.02957	3.8
87.00945	0.6
88.98811	100.0
89.02435	3.6
89.99174	1.5
91.84094	0.5
96.96026	7.5
99.04572	0.8
99.12054	0.6
101.02441	2.7
107.01393	1.6
108.02168	0.8
109.02969	0.9
113.02450	1.4
119.03491	1.3
121.02982	1.2
129.01927	0.6
150.88795	0.5
151.00356	5.7
151.03900	0.6
153.01949	0.7
154.99823	0.7
155.10808	0.9
161.04605	1.7
163.00395	1.5
165.05620	0.7
178.99899	3.5
196.61055	0.6
211.04010	0.9
227.03506	0.8
229.05164	0.7
241.00128	0.6
243.00775	0.6
243.03004	3.4
255.02954	8.1
271.02444	17.1
272.02844	2.1
273.03973	0.9
283.02524	0.8
300.02747	37.2
301.03479	29.4
302.03870	2.4
307.10959	0.6
329.95026	0.6
375.27628	1.2
385.04190	0.6
389.25449	1.9
447.09296	65.1
448.09644	10.4
537.08612	1.1
537.17303	1.0
537.25879	1.4
537.33081	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	536.177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21851	0.6
51.72019	0.6
57.03445	3.7
59.01087	1.0
59.01375	14.8
61.98830	10.6
69.07941	0.6
70.02985	0.6
71.01382	21.9
72.99310	0.9
73.02944	2.2
75.00866	1.6
77.29263	0.6
78.95885	0.9
79.63347	0.6
79.95731	0.8
83.01376	1.0
85.02956	18.6
87.00872	0.7
88.04049	38.8
89.02454	2.6
89.63455	0.6
92.31019	0.6
93.03456	1.9
95.04998	0.6
96.96018	9.4
98.19840	1.8
99.03696	0.6
101.02419	1.7
103.00356	0.7
108.02164	1.0
111.00887	1.0
113.02444	2.6
114.01955	1.6
114.99577	1.2
115.00384	24.7
116.00729	0.7
119.03540	0.8
120.01263	0.7
121.02957	2.2
122.03755	5.3
123.04549	4.4
125.02476	1.7
129.01950	2.3
132.03040	14.4
135.04463	0.8
137.02477	1.2
145.02966	0.7
146.03735	1.0
147.02995	2.1
147.04565	0.8
149.02460	18.0
149.04372	0.8
149.06079	1.5
150.03239	40.3
151.04028	15.2
156.94508	0.7
162.63907	0.7
163.03999	0.8
164.04808	9.8
165.05583	44.9
166.05975	1.6
169.01451	1.5
179.05702	1.2
179.07143	10.9
180.04308	3.0
181.05043	3.7
183.10249	1.0
191.01965	8.6
191.26057	0.7
194.04613	5.6
195.05287	3.0
195.06810	8.2
209.03047	5.8
209.06912	8.3
210.07648	3.2
211.02452	2.7
222.07565	0.8
224.09268	9.6
225.07683	6.4
225.09595	1.1
225.87204	0.7
230.15169	1.0
241.00247	1.6
241.04688	0.7
243.12352	1.8
243.15942	1.5
243.98314	0.6
249.06184	1.1
264.08542	0.8
267.07300	1.2
271.04602	4.3
283.10709	0.8
284.11151	1.2
284.51822	0.7
287.15100	0.8
295.10519	3.5
296.11398	2.6
331.06747	2.2
339.09543	2.7
341.10309	0.9
345.10400	0.7
350.12329	1.2
357.12161	2.1
358.12924	1.6
372.14490	7.1
373.12924	4.9
374.13272	0.9
405.17297	0.7
406.14761	1.1
420.16672	4.9
421.14966	15.7
422.15311	2.1
444.16638	1.0
456.16721	1.6
492.18451	1.1
504.13516	0.9
536.17688	100.0
537.17554	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42271	0.7
57.03437	3.3
58.02977	1.0
58.59782	0.6
59.01380	12.6
60.01696	0.7
61.98819	6.3
65.67050	0.7
71.01382	19.6
71.43990	0.8
71.44341	1.4
72.99342	1.0
73.02972	1.7
75.00907	0.8
75.51270	0.7
76.52984	0.7
76.85345	0.7
78.95898	0.9
79.95747	1.8
83.01386	1.8
85.02957	18.6
87.00893	2.2
88.04043	30.0
88.98817	1.0
89.01995	0.7
89.02443	4.2
89.04387	0.7
93.03419	0.8
96.95443	1.4
96.96021	13.4
96.96967	1.1
101.02435	1.4
103.00366	1.2
107.11703	0.7
107.25309	0.6
109.02960	1.8
111.00885	1.7
113.02460	3.2
114.01967	1.4
115.00387	22.1
119.03501	1.2
120.01264	1.9
121.02981	4.2
122.03702	1.0
129.01932	3.0
132.03050	8.4
134.03754	5.1
135.04561	6.2
136.01692	0.9
136.05229	1.4
137.02464	6.4
138.03204	2.3
147.03017	2.0
149.02489	3.4
149.04579	2.4
149.06094	8.0
150.03227	3.4
151.04031	2.2
153.05533	0.8
155.03128	0.8
160.01610	0.8
160.04048	1.6
161.02386	1.0
163.04037	2.0
164.04900	0.9
164.07184	0.9
165.01952	40.0
165.05495	4.1
166.02747	6.4
171.44664	0.7
174.38399	0.7
175.02544	1.6
175.04002	4.9
176.04781	6.3
177.05507	1.4
178.02687	0.8
179.03510	7.9
179.05855	6.3
179.07155	1.6
180.04291	25.9
180.06578	3.9
181.05058	8.6
183.10420	0.7
191.01961	7.7
191.07098	8.8
193.05081	1.7
194.05875	0.8
194.06589	0.8
194.08229	6.8
195.02979	1.3
195.06625	32.9
196.07095	1.0
205.03313	0.8
209.03029	8.5
209.04697	1.1
210.05315	6.3
211.06114	6.1
220.09724	0.9
225.07660	11.7
226.07988	0.8
235.94720	0.7
241.00087	1.7
257.85715	0.9
265.09485	1.8
266.10410	1.7
267.06812	1.0
292.08160	1.3
295.11005	1.2
301.10794	1.3
309.08514	9.5
310.08771	1.4
315.04782	0.8
324.10620	1.2
327.08932	1.1
327.12427	4.2
339.12494	0.9
342.10062	2.1
345.13400	1.9
357.13245	3.8
358.13004	1.3
372.14532	2.2
373.12909	2.2
375.14691	2.1
389.13260	1.0
420.16623	3.0
421.15054	11.3
422.15430	1.6
444.16614	2.4
447.13837	1.7
448.64429	0.8
456.16330	1.9
474.17499	1.5
518.16565	0.9
536.17682	100.0
537.18195	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.111
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.8
59.01381	16.1
60.01708	0.5
60.99308	0.3
61.98829	3.9
68.02531	0.9
69.03458	0.6
70.16402	1.0
71.01385	4.1
72.99303	0.8
73.02947	1.3
75.00864	0.7
75.22665	0.2
77.12115	0.2
78.95885	0.3
79.95744	10.4
80.15481	0.2
80.96529	2.1
83.01384	0.7
85.02956	2.4
87.00883	0.7
88.04047	0.3
88.98802	1.9
89.02470	1.1
95.95246	10.7
96.96023	100.0
97.02992	0.4
97.95956	0.4
98.19898	0.3
98.95600	0.9
99.00880	0.5
99.04509	0.3
101.02463	1.9
103.00379	0.9
113.02467	1.2
120.01294	0.3
121.02995	0.3
122.97608	0.7
123.04523	0.3
125.02483	0.3
126.99579	1.1
138.97079	2.8
141.95885	0.3
143.03484	0.5
149.04649	0.3
150.97093	3.8
151.97893	1.2
152.98610	0.6
161.04584	0.3
164.98630	0.8
168.98119	0.7
177.04082	1.4
179.10921	0.3
180.98169	1.4
191.01949	0.3
191.14421	0.4
194.99590	0.3
197.95721	0.2
213.00839	0.4
222.99153	1.0
225.00749	0.8
241.00240	13.2
242.00586	0.9
249.06209	0.3
256.99704	3.0
271.02484	0.3
300.02728	0.8
301.03467	0.6
352.04599	3.5
422.43469	0.2
436.58875	0.3
440.74283	0.2
447.09280	1.2
449.27615	0.3
450.15298	0.7
451.16418	7.0
467.07852	0.3
475.28546	0.3
491.28595	0.8
492.28760	0.7
493.17584	2.8
494.30200	0.5
521.17053	0.3
535.22070	1.5
535.31116	3.2
536.11041	68.5
536.22839	4.3
536.31610	2.2
537.10492	9.3
537.22998	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	536.177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.1
58.02966	1.1
59.01381	6.0
61.98813	1.9
69.68198	4.0
70.02975	0.8
71.01383	18.1
79.95739	0.9
85.02962	8.1
87.00856	1.2
88.04049	44.3
89.02483	0.9
89.04398	0.6
96.96022	6.3
96.99294	0.7
108.02174	0.6
109.02985	0.9
110.47220	0.5
111.00918	1.0
112.04024	0.6
113.02464	1.3
114.01955	1.6
115.00384	21.1
120.01261	0.5
121.02995	4.5
123.00932	1.1
123.04588	0.7
129.01927	2.1
132.03036	10.7
135.04546	9.3
136.05287	1.6
137.02469	6.6
137.06067	1.2
138.03291	2.7
140.28500	0.5
147.02969	0.5
149.02467	2.0
149.06094	7.7
150.03235	1.2
151.03969	2.2
153.05547	1.1
160.04041	0.7
161.02464	1.3
163.04062	1.0
164.04762	1.3
164.07137	0.8
165.01945	33.0
165.05585	1.3
166.02708	7.0
167.03259	0.6
175.02609	0.7
175.04007	4.3
176.04747	1.2
177.05623	0.7
178.05148	0.6
179.03517	11.1
179.05870	8.7
179.07286	1.3
180.04297	17.3
180.06621	4.4
181.05078	7.1
191.01962	2.7
191.07152	1.6
193.04994	0.9
194.06006	3.1
194.08229	12.7
195.02968	1.0
195.06642	24.6
196.07076	1.7
209.02974	1.8
210.05356	3.0
211.06033	3.0
220.09813	1.4
225.07663	3.8
234.07770	1.1
241.00214	0.8
265.09592	1.6
266.10388	2.5
292.08298	1.5
295.44885	0.7
298.08084	1.0
299.09540	1.3
309.08490	5.6
313.10852	1.8
314.10281	1.2
320.11221	1.5
324.10867	0.9
341.10242	0.8
342.09796	5.5
343.10385	2.9
355.11838	1.9
357.12204	6.3
358.09930	1.0
358.12973	2.6
372.14551	9.4
373.12750	11.6
374.13300	1.4
406.15106	1.6
420.16574	5.4
421.15042	14.2
422.15387	2.0
444.16711	3.6
445.16788	0.7
447.14038	1.6
456.16653	1.4
474.17664	1.1
492.18756	0.9
518.17383	1.0
531.03400	0.5
536.17694	100.0
537.18066	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.9
57.03434	3.0
59.01097	1.0
59.01379	19.0
61.87237	0.7
61.98839	5.3
69.03425	0.9
69.51807	4.7
69.52233	2.7
71.01386	8.3
72.99299	1.8
73.02947	3.7
74.29298	0.9
75.00862	1.1
80.05045	1.5
83.01400	1.5
83.05057	0.9
85.02959	7.8
87.00880	2.1
87.04552	0.8
89.02447	6.1
89.89603	0.7
93.03438	0.8
94.51606	0.8
95.01420	0.9
95.03781	0.8
96.96018	12.6
99.00880	1.6
99.04543	0.9
101.02451	5.4
106.06591	1.0
113.02470	5.2
115.00314	0.9
119.03563	1.8
122.06147	6.4
124.07697	4.3
126.20558	0.8
129.02008	1.3
131.03590	1.1
131.90593	0.9
132.04573	22.4
133.05354	5.4
134.03789	1.4
134.06184	1.8
146.06116	1.1
147.03200	1.7
148.04073	1.8
148.05241	1.0
149.04553	2.4
149.06058	1.3
150.05659	2.1
155.10759	2.5
158.02408	1.2
159.63783	0.8
160.01675	1.2
160.04102	4.5
161.04585	2.3
162.05617	0.8
165.04300	9.8
174.05644	1.2
175.04004	1.3
176.03517	2.7
176.07164	3.8
177.04254	1.4
181.12270	2.2
185.07111	1.3
186.09187	0.8
187.08684	1.1
190.05064	3.2
191.01981	2.8
193.05017	1.0
198.04221	0.9
198.09128	1.0
199.09744	1.6
209.03259	3.2
211.12299	1.9
212.05815	1.0
212.10727	2.5
213.06734	2.1
214.12372	2.0
215.11859	4.6
215.62433	0.9
224.07288	1.8
224.09538	4.6
225.06645	1.5
226.07408	3.1
227.08278	4.0
229.09856	3.8
235.05380	1.0
238.08862	1.0
239.08244	1.5
239.11844	10.4
240.08418	1.0
240.10222	3.8
240.12418	1.4
241.00267	1.3
241.09816	11.5
249.06247	1.5
250.07500	1.0
252.05345	1.6
253.06200	7.2
254.06709	1.8
255.07771	1.9
255.11342	5.7
257.12912	14.4
258.13239	2.0
265.09790	2.6
267.07547	4.3
268.08429	4.6
281.09308	5.9
283.10876	56.9
284.11307	5.9
301.11945	10.4
302.12262	1.0
309.08768	18.0
310.09146	1.9
327.09839	19.7
328.10193	2.8
345.10938	35.9
346.11285	4.3
353.07822	1.4
359.12408	1.7
371.08868	14.3
372.09378	1.1
373.12848	1.7
373.25787	1.6
403.11505	9.6
404.11942	1.4
415.14932	1.2
431.19202	2.1
449.11191	1.8
459.14142	6.5
460.14224	1.4
475.17862	1.8
491.24454	1.8
503.13040	100.0
504.13422	16.3
535.14508	5.8
535.22638	1.3
535.31940	5.0
536.14929	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88204	0.6
57.03448	3.0
59.01092	0.9
59.01381	16.0
61.98837	6.4
69.03461	0.7
69.44291	2.9
69.44720	3.0
71.01386	6.5
71.77244	0.6
72.99346	0.6
73.02957	3.0
74.79852	0.5
75.00869	2.0
76.37619	0.5
77.68298	0.6
78.95900	0.9
79.95748	1.8
80.05074	1.2
82.94212	0.5
83.01405	1.3
85.02957	8.3
87.00878	1.2
89.02451	3.1
92.82334	0.6
95.03802	0.7
95.05042	0.6
96.96024	11.0
99.00912	1.1
99.04511	1.1
101.02480	3.3
106.06742	0.7
108.02195	0.6
108.04552	1.2
110.97594	2.1
113.02458	5.3
115.00368	0.8
119.03554	1.4
119.05064	0.6
120.04559	0.7
121.02961	0.9
122.06139	4.1
124.07697	2.0
129.01923	0.9
130.02988	0.6
131.03548	1.0
132.04568	13.2
133.05315	1.7
134.06119	1.4
135.04515	0.6
139.39781	0.6
145.27637	0.6
147.03169	2.2
147.04437	0.6
148.04042	0.9
149.04564	2.3
150.03247	0.7
150.05627	2.3
153.09218	0.6
155.10812	1.2
158.02509	4.5
160.04070	6.1
160.05234	1.0
161.02556	0.7
161.04614	3.3
162.05655	1.4
163.04004	0.7
165.04333	3.4
165.05560	0.9
174.05585	0.7
175.02534	0.8
175.03983	1.0
175.37244	0.6
176.03529	5.0
176.07196	1.4
177.04230	0.6
181.12343	2.1
184.07726	1.0
186.09268	0.8
190.05124	14.7
190.06860	1.2
191.01996	2.2
191.05641	1.4
192.06625	1.1
193.05029	0.6
198.04434	0.6
209.03088	1.2
211.08727	0.8
211.12463	1.9
212.05806	1.0
212.10880	1.3
213.06593	0.9
215.11888	3.7
220.02620	0.6
222.09271	0.7
223.04965	0.8
223.08778	1.5
224.09535	5.5
225.08125	1.2
226.07425	2.2
227.08330	3.6
229.09769	1.6
234.04062	0.7
238.08737	1.0
239.08191	1.5
239.11894	15.2
240.10580	3.7
241.00270	1.6
241.09811	9.1
249.06158	0.9
250.07535	1.2
253.06174	13.3
253.08896	1.0
253.10030	1.0
254.06773	2.2
255.07701	2.5
255.11382	3.9
256.08456	1.0
256.11966	0.6
257.12991	3.1
265.09793	2.3
267.07721	4.2
268.08484	7.3
269.08966	0.8
281.09384	3.9
283.10870	57.1
284.11234	6.4
287.10300	0.8
301.11972	3.1
309.08810	15.7
310.09021	1.4
311.10196	0.7
315.13312	1.3
327.09848	31.6
328.10141	2.5
329.14130	1.4
337.09225	0.6
341.11313	2.5
343.12152	1.2
345.10953	9.8
346.11179	1.3
353.07507	0.7
359.12457	13.0
360.12766	1.5
371.08820	17.3
372.09134	1.5
373.13101	1.0
373.26013	0.9
385.10617	1.0
403.11478	100.0
404.11792	13.0
431.19504	1.2
447.21439	0.7
459.14008	5.8
460.14334	0.7
475.25281	0.7
491.16510	0.8
491.24417	0.7
503.13068	31.0
504.13379	5.5
535.14307	4.0
535.19733	4.4
535.31390	2.5
536.14044	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	535.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18958	0.3
57.03442	0.4
59.01380	15.7
59.07917	0.3
61.98844	0.5
69.67555	2.8
71.01389	3.0
71.11481	0.3
72.99300	0.6
73.02944	2.4
76.77421	0.3
79.95744	6.2
80.96522	3.1
83.01405	0.7
85.02943	2.4
87.00884	0.8
89.02438	1.8
95.95246	0.8
96.96021	100.0
97.02956	0.5
97.95894	0.4
98.20464	0.9
101.02477	2.1
103.00381	8.9
103.01063	0.5
113.02470	1.0
116.92890	1.0
119.03483	0.7
122.97587	0.8
138.97084	0.6
143.03542	0.6
150.97093	0.9
152.98657	1.3
161.04555	0.3
164.98634	4.3
177.01877	0.7
180.98145	1.9
194.99579	0.3
213.40686	0.3
241.00233	4.5
256.99734	0.6
284.97610	0.4
324.93646	0.3
373.25769	0.4
431.13879	2.0
449.14844	86.7
450.15192	10.1
450.20120	0.3
491.15903	42.4
492.16190	6.6
513.21948	0.4
517.13959	1.2
535.14819	44.2
535.31567	2.4
536.15186	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	535.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69745	0.2
55.01867	0.4
57.03444	1.1
58.00573	0.5
59.01379	24.9
61.98827	2.4
62.25858	0.2
66.36266	0.3
67.23086	0.2
68.90284	0.2
69.03454	0.3
69.50921	0.4
69.51234	2.6
71.01381	5.7
71.05018	0.4
72.99298	0.8
73.02958	3.3
75.00861	0.7
75.75339	0.2
79.95270	0.6
79.95741	10.9
80.96516	2.8
81.03460	0.3
83.01392	1.3
85.02952	4.6
87.00888	0.9
89.02443	2.8
95.01382	0.4
95.95242	3.1
96.96020	100.0
97.02958	0.4
97.06613	0.3
97.95952	0.5
98.95580	0.6
99.00900	0.6
99.04565	0.4
99.92592	0.4
101.02457	4.7
103.00383	10.5
104.45924	0.3
107.99646	0.2
111.00843	0.3
112.17520	0.2
113.02450	2.8
115.00365	0.3
115.92101	0.4
116.92860	1.0
117.03410	0.4
119.03532	1.0
119.05006	0.6
120.95979	0.4
121.02992	0.5
122.97595	0.6
125.02460	0.7
125.09731	0.4
129.01964	0.6
134.97618	0.4
135.04543	0.8
136.01575	0.2
138.97075	1.0
143.03452	0.5
145.02960	1.1
149.02406	0.3
149.04655	0.4
150.97104	2.1
151.00391	1.2
151.03989	0.4
151.07657	0.4
152.98648	1.7
160.04100	0.3
161.04535	0.9
163.04015	0.4
164.98663	3.8
165.05531	0.3
167.07159	0.3
177.04118	0.5
179.05826	0.6
180.98141	2.3
191.01990	0.3
194.08220	0.7
194.99654	0.4
195.08479	0.4
198.99207	0.3
207.06593	0.6
215.12852	0.3
225.00725	0.3
241.00227	6.2
256.99725	2.1
259.01477	0.3
267.50836	0.3
273.60355	0.3
278.55817	0.2
283.01413	0.4
287.05582	0.6
291.25845	0.3
299.00858	0.4
355.24893	1.2
373.26050	0.8
387.23834	0.8
393.08789	0.3
405.17651	0.3
431.13910	1.5
449.14835	80.9
450.15173	10.8
475.29333	3.2
491.15909	39.7
492.16245	5.3
493.30121	0.9
505.18643	0.6
517.13782	1.0
535.14819	40.0
535.22308	2.7
535.31421	5.3
536.15198	6.1
536.22705	0.4
536.31616	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.5
57.03440	0.7
59.01381	23.2
60.01720	0.5
61.98833	1.2
64.96408	0.2
69.60667	0.5
69.61078	1.9
71.01388	5.9
72.99300	0.8
73.02955	2.9
74.07397	0.3
75.00884	0.5
79.95743	10.1
80.96529	2.8
83.01376	1.3
85.02966	4.5
87.00887	0.8
89.02455	3.4
95.01413	0.4
95.95247	2.2
96.96024	100.0
97.95940	0.4
98.19818	0.5
99.00898	0.8
99.04536	0.3
101.02465	4.1
103.00388	10.3
111.00880	0.5
113.02480	2.6
119.03506	0.6
122.97575	0.5
123.58349	0.3
125.02502	0.4
129.01900	0.3
131.03474	0.3
138.97104	1.5
139.07629	0.3
143.03505	0.9
149.04610	0.4
150.97087	1.4
151.07666	0.5
152.01204	0.3
152.98663	1.9
159.37425	0.3
161.04596	0.4
164.98640	3.1
179.01581	0.2
179.05620	0.5
180.98149	2.4
191.01997	0.5
209.04539	0.3
225.00830	0.3
241.00218	6.4
256.99722	1.6
269.13977	0.6
270.14316	0.5
283.01361	0.5
313.23862	0.3
315.21899	0.7
331.24942	0.9
338.27917	0.3
355.24719	0.3
373.26013	0.3
383.00824	0.3
402.18820	0.4
431.13889	1.6
449.14865	78.5
450.15182	9.8
475.29144	5.2
476.29330	0.4
477.27167	2.3
491.15918	39.7
492.16211	6.0
493.30179	1.7
517.13770	1.0
534.22644	0.3
535.14856	40.5
535.22137	2.5
535.31396	3.0
536.15186	7.2
536.22412	0.4
536.31024	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46708	0.4
57.03454	0.5
59.01382	2.7
69.96674	1.8
71.01397	3.9
71.05022	2.0
73.02955	1.3
79.95747	5.4
80.96528	1.7
83.01394	0.5
85.02952	2.2
87.00903	0.5
89.02455	1.0
95.95261	1.7
96.96023	99.7
97.95967	0.5
99.00880	0.7
99.07712	0.5
101.02448	3.2
113.02446	1.7
121.02950	1.1
121.59892	0.3
122.97598	1.2
134.03766	1.1
138.97078	2.9
143.03494	0.9
149.09721	0.5
150.97104	1.3
152.98744	0.5
153.02293	19.8
154.02533	0.6
159.02966	0.4
161.04660	1.8
164.98618	1.0
177.04060	1.5
180.98059	0.9
198.99268	0.6
219.49991	0.3
221.08211	1.1
222.99202	0.4
225.00853	0.7
241.00211	6.3
251.11365	1.8
253.04025	0.7
255.88699	0.3
256.99738	0.8
313.05997	12.1
314.06177	0.9
419.70932	0.4
419.77173	0.4
495.73819	0.4
535.14862	100.0
536.15161	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	535.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.3
55.71251	0.2
57.03447	0.4
59.01383	4.2
61.98822	0.5
70.92214	0.7
71.01390	3.7
71.05022	4.2
72.99325	0.4
73.02948	1.7
75.00868	0.4
77.48039	0.2
79.95741	3.5
80.96513	2.1
83.01394	0.7
85.02961	2.5
86.29820	0.3
87.00871	0.3
89.02450	0.5
93.03446	0.3
95.95244	1.3
96.96022	86.8
97.95951	0.5
99.00919	0.8
100.10943	0.2
101.02451	4.4
103.00401	0.5
105.74078	0.2
113.02453	1.8
121.02975	5.0
122.97594	1.2
125.02437	0.3
129.01953	0.4
131.60858	0.2
134.03757	5.7
138.97119	1.5
143.03503	0.3
147.00893	0.4
149.09750	0.9
150.97069	1.6
153.02292	13.6
154.02678	0.3
158.09833	0.2
159.03044	0.7
159.73007	0.2
161.04550	1.7
164.98674	0.8
165.01970	0.6
167.03310	0.3
168.98016	0.3
177.04062	2.2
177.09219	1.1
180.98134	1.1
194.99608	0.3
199.40002	0.3
213.00723	0.4
221.08209	4.5
222.08655	0.3
222.99130	0.3
225.00890	0.3
241.00259	4.4
251.11322	2.6
256.99780	1.1
276.30417	0.2
313.05991	12.8
314.06342	0.9
331.07031	0.7
408.92584	0.3
431.14148	0.3
449.14899	5.6
450.15051	0.6
491.15939	2.4
491.29089	0.3
535.14856	100.0
536.15216	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	534.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.3
57.03440	0.9
58.00595	0.2
59.01379	29.5
60.01716	0.4
61.98830	100.0
62.98546	0.3
69.03468	0.6
69.60479	2.0
71.01385	8.7
72.01723	0.3
72.74002	0.2
72.99319	0.8
73.02951	8.0
74.03260	0.2
75.00894	0.7
78.95903	0.3
79.95744	6.9
80.58572	0.2
80.96533	1.3
80.96942	0.2
81.03480	0.2
83.01393	3.2
84.07943	0.2
84.61321	0.2
85.02962	3.0
87.00885	0.8
89.02455	3.1
95.01385	0.4
95.95238	2.3
96.96021	42.3
97.02975	0.4
98.95535	0.3
99.00903	0.8
101.02459	8.9
102.02798	0.3
103.00397	3.6
104.47755	0.2
106.86427	0.2
111.00860	0.4
113.02462	3.6
119.03501	0.8
122.97581	0.2
125.02465	0.5
129.01962	0.4
131.03526	1.3
133.02983	0.3
137.09758	0.3
138.97087	0.5
141.92230	0.2
143.03491	1.0
149.04568	1.7
150.97084	0.8
151.85216	0.3
152.98634	0.7
155.03537	0.3
161.04555	3.1
162.91107	0.2
164.98621	1.5
166.96330	0.3
177.04044	0.4
180.98090	0.7
191.14435	0.5
192.11447	0.3
194.99590	0.3
203.05482	0.4
205.12416	0.4
207.13927	1.3
221.06677	0.6
223.13344	0.6
238.98515	0.4
241.00150	2.2
249.06027	0.3
256.99722	2.2
287.22308	0.6
299.00653	0.3
327.06888	0.3
427.19501	0.5
431.13324	0.3
449.14883	27.2
491.15942	14.5
491.28088	1.5
493.30087	0.5
517.13727	0.5
534.20215	1.5
534.29950	1.3
534.69049	0.5
535.14478	19.8
535.21881	5.6
535.30914	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	534.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30155	0.2
61.98830	100.0
71.28104	0.6
96.96036	0.6
107.17568	0.3
113.80136	0.3
118.23118	0.3
120.09528	0.3
128.23631	0.3
142.74670	0.3
166.37387	0.3
181.95210	0.3
183.27133	0.3
197.12393	0.4
265.23718	0.3
281.24985	0.5
358.08698	0.4
519.19427	0.4
534.23492	0.5
555.61792	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66486	0.2
57.03451	1.5
58.00602	0.3
59.01379	37.2
60.01714	0.6
61.98830	100.0
69.03444	0.5
69.23979	0.2
71.01386	12.5
72.99313	0.7
73.02949	12.4
73.57441	0.3
75.00865	1.3
78.76988	0.2
78.95930	0.5
79.95753	0.6
80.68826	0.3
83.01393	4.1
83.05038	0.3
85.02960	5.7
85.03453	0.4
85.06599	0.4
87.00866	0.8
89.02453	4.5
93.03452	0.3
95.01373	0.9
96.96019	5.2
97.02969	0.3
98.95597	1.0
99.00896	0.8
99.04550	0.3
100.92631	0.3
101.02455	14.7
102.02850	0.3
104.67257	0.2
107.05053	1.0
111.00859	0.4
113.02457	5.3
119.03527	1.7
119.05046	0.5
120.01273	0.7
122.06116	0.7
123.04535	0.3
124.07659	0.3
125.02439	0.7
126.25819	0.2
129.01917	0.6
131.03511	1.4
132.03047	0.3
132.04570	1.2
137.06114	0.4
143.03502	1.2
147.03046	0.5
149.04588	2.0
149.06071	0.9
150.03212	1.1
151.04019	0.4
160.04059	0.4
161.04585	4.1
163.11252	1.8
165.04172	0.8
165.05576	1.5
167.03526	0.3
177.12854	0.4
179.05623	0.5
181.12335	1.5
181.33659	0.3
187.11275	0.5
190.02658	0.9
190.05048	0.7
191.01930	1.2
191.03484	0.4
192.06688	0.4
205.05020	0.8
205.12338	11.1
206.12643	1.0
207.89003	0.4
223.13376	0.7
225.11308	0.8
225.14943	0.4
239.11865	1.1
241.00180	0.4
241.09778	1.1
249.06119	0.7
253.06128	0.6
257.13000	0.5
267.07553	0.5
267.71735	0.3
268.08493	0.3
269.13684	0.4
281.09344	0.5
283.10931	5.0
301.11786	0.3
309.08838	1.9
325.07962	1.9
327.09875	2.4
329.15915	0.6
345.10806	1.0
359.12186	0.8
371.08792	1.9
403.11487	2.8
431.19214	3.0
459.13846	0.5
466.14392	0.4
474.31766	0.3
475.18076	1.6
491.15405	1.0
503.13080	6.2
534.00177	0.9
534.15094	0.8
535.20868	4.8
535.29797	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.4
61.98831	100.0
62.98535	0.3
73.55145	0.2
78.95908	0.7
83.21513	0.1
96.96021	0.2
152.99648	0.7
187.48857	0.1
196.89536	0.9
197.89632	0.4
218.15294	0.2
218.54756	0.1
324.99161	0.2
431.22266	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.3
61.50892	0.1
61.98830	100.0
62.98518	0.2
71.28413	0.3
78.95907	0.6
86.51031	0.1
88.98797	0.1
94.87554	0.1
132.60620	0.1
152.99611	0.4
188.04527	0.1
190.98067	0.1
196.89578	0.4
197.89522	0.2
211.23024	0.2
235.76465	0.2
255.23280	0.8
277.21768	0.2
286.07797	0.2
343.64221	0.1
365.27240	0.1
368.98141	0.1
431.22043	0.2
447.09821	0.2
533.29413	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	2.0
61.98846	1.6
69.41451	2.0
69.41878	2.6
78.95908	7.8
78.96292	0.5
85.06601	1.1
85.75877	0.5
96.96027	0.6
105.42367	0.4
110.98541	5.4
111.63514	0.4
125.24757	0.5
152.99612	0.6
153.12878	0.5
165.12904	0.6
167.01193	1.8
181.12457	0.7
185.02234	4.4
185.83716	0.5
199.13399	14.4
200.13733	1.0
217.44966	0.5
226.97255	0.5
261.18668	0.7
279.19678	10.8
280.20123	1.1
296.44284	0.6
324.35504	0.5
347.25974	7.3
348.26184	1.0
363.25461	0.8
365.26971	100.0
366.27313	13.7
397.81555	0.5
533.28760	23.0
534.29242	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	532.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56575	0.1
57.03445	0.6
59.01377	3.4
61.98831	0.4
71.01386	1.1
71.73407	0.2
72.99303	0.2
73.02946	0.7
75.00896	0.4
78.95924	0.2
79.95736	0.4
83.01413	0.2
85.02949	1.8
86.03300	0.2
87.00900	0.4
89.02475	0.7
95.55575	0.1
96.96027	3.4
96.96954	0.2
98.95586	0.3
99.00905	0.3
99.04550	0.3
101.02456	0.5
111.00893	0.4
113.02449	0.8
116.05072	3.7
118.11814	0.1
121.02976	0.2
125.02502	0.3
129.01945	0.4
131.03751	0.2
132.04526	0.3
138.82619	0.1
149.04605	0.5
159.03250	0.7
160.04056	100.0
161.04410	5.4
174.02014	0.3
175.02493	0.3
175.70201	0.2
191.01956	0.4
192.02284	0.2
193.05048	0.1
199.06424	0.2
202.05064	0.2
204.03030	3.7
205.03317	0.2
209.03065	0.3
223.13380	0.5
224.13744	0.2
227.05893	0.6
233.98607	0.2
241.00229	0.2
249.05908	0.3
251.09254	0.2
267.07248	0.2
267.12299	0.3
268.12701	0.3
271.15173	0.2
301.03381	0.2
326.13916	0.5
349.11444	0.1
366.08258	1.6
367.08752	0.3
367.98740	0.2
371.24472	0.4
385.99634	0.4
400.16760	0.4
401.18222	0.2
447.09232	0.1
473.17950	0.6
488.19131	0.4
491.19031	0.5
531.24561	0.5
532.18109	22.4
533.18207	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	532.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40927	0.2
59.01378	11.5
60.01727	0.2
61.98830	100.0
69.73843	1.5
71.01384	7.3
71.01767	0.4
71.05020	2.6
72.99323	0.4
73.02950	9.4
75.00881	0.3
79.95763	0.4
81.03432	0.3
83.01396	2.4
85.02962	1.3
87.00904	0.4
89.02444	0.4
96.96019	4.0
96.96600	0.4
99.00908	0.3
99.04549	0.3
101.02462	5.9
105.03482	0.6
113.02473	1.3
117.03535	0.2
119.05069	0.3
121.02969	4.4
123.04571	0.4
124.61791	0.2
125.02464	0.9
130.28123	0.2
134.03758	3.7
134.17545	0.2
143.03534	0.7
145.02960	0.4
147.00899	0.4
149.02457	0.5
149.09763	0.5
155.03539	0.4
160.01700	0.4
161.02461	20.2
161.04611	0.7
162.02818	1.1
165.01927	0.3
177.09254	0.7
189.01949	8.7
190.02351	0.6
203.05621	0.8
219.03004	2.4
221.08197	17.5
222.08546	1.4
231.03069	0.6
231.07506	0.2
256.99695	0.2
291.05103	0.6
301.03540	0.2
329.23514	0.3
348.31039	0.2
455.54071	0.2
457.12112	0.2
488.25769	0.4
532.06995	0.3
532.26984	0.4
533.06122	0.3
533.13202	0.3
533.19745	1.0
533.29950	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.5
57.03447	82.0
58.00605	1.1
58.03778	1.9
59.01378	100.0
60.01712	1.1
61.98830	0.7
66.46983	0.5
67.53406	0.5
69.03453	1.3
71.01380	23.9
71.73535	0.8
72.01733	0.5
72.99313	1.7
73.02943	8.1
74.02496	0.7
75.00867	2.5
78.95908	2.1
79.95750	2.6
80.96523	1.0
81.03465	2.0
83.01395	7.7
84.02177	1.5
85.02957	59.4
86.02488	0.5
86.03303	1.1
87.00906	3.3
88.04030	0.7
89.02449	15.9
95.01387	2.0
95.95250	0.7
96.96019	56.2
97.02953	0.7
98.95605	1.1
99.00877	2.9
99.04527	75.2
100.04851	2.9
101.02451	31.4
102.02829	1.2
103.00375	1.1
111.00880	5.8
111.07385	0.6
113.02457	9.9
113.06106	1.1
115.00370	1.5
116.92851	0.7
117.03460	1.6
119.03550	4.5
119.05039	6.6
119.05846	0.9
120.01303	0.6
121.02985	0.6
123.04536	2.4
125.02460	31.2
126.02789	1.0
128.03461	0.9
129.01953	12.4
130.02284	0.6
131.03513	1.6
132.03046	1.5
134.03757	5.3
135.04596	0.6
138.97078	1.6
143.03484	4.1
143.04549	1.1
145.02971	2.9
146.29045	0.5
147.03015	8.4
148.01714	2.5
149.04568	3.5
149.06071	1.5
150.03227	1.5
159.03049	0.7
160.01683	0.7
160.03996	2.0
161.02478	1.0
161.04553	6.7
163.04012	11.3
165.05518	1.7
173.00931	5.2
174.01675	0.6
175.02519	0.9
175.03905	2.6
176.04738	0.8
177.05540	1.3
178.02716	0.7
178.06319	0.7
179.05592	1.9
179.06996	0.7
189.12842	6.0
191.01997	10.4
192.02324	0.6
193.03485	0.9
193.05087	6.4
199.13393	1.5
200.13585	0.5
205.03479	1.1
205.12222	0.6
207.03026	0.6
207.13911	1.2
209.02985	1.2
219.05269	1.6
220.06085	0.8
223.04561	1.0
223.13293	0.7
234.07771	2.7
241.00191	2.8
249.06033	1.3
255.02800	0.6
261.07712	0.9
267.07059	1.0
271.02426	0.8
272.08679	0.7
278.06622	0.9
279.07318	1.1
300.02832	2.7
301.03357	1.3
306.07532	1.8
322.05667	1.4
337.05545	1.2
355.06671	0.8
360.12463	0.5
369.08096	0.7
369.18881	1.6
385.07605	1.8
387.20267	14.6
388.20264	1.5
399.16528	1.7
411.39130	0.5
429.21164	3.8
430.21127	0.7
433.07916	2.7
445.17279	0.8
449.19861	0.9
451.10352	1.1
451.16376	21.9
452.16519	2.6
469.24295	1.0
531.17084	9.7
531.23853	14.5
532.13940	5.4
532.25598	2.5
547.83221	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50282	0.7
55.01878	1.4
57.03448	78.0
58.00584	1.8
58.03782	1.3
59.01379	100.0
60.01719	1.6
69.03461	1.6
71.01387	22.5
72.99335	1.8
73.02951	9.2
75.00896	2.7
78.95915	1.8
79.05551	0.8
79.95727	4.3
80.96530	0.7
81.03473	1.2
83.01385	5.3
83.07783	0.8
85.02958	53.7
86.03275	1.9
87.00883	1.9
88.04105	0.8
89.02451	15.8
93.03488	0.9
95.01437	1.5
95.95264	0.9
96.96023	80.8
97.03011	1.3
98.95621	0.9
99.00902	2.4
99.04531	78.7
100.04877	2.4
101.02458	28.7
103.00420	0.9
111.00922	5.5
113.02470	9.4
115.00415	2.2
119.03547	5.3
119.05025	6.8
120.01299	1.1
121.03021	0.8
123.04566	2.1
123.86974	0.7
125.01522	1.4
125.02459	28.2
126.02907	1.0
128.03557	2.0
129.01958	10.0
131.03523	1.3
132.03065	1.8
134.03764	4.5
138.97044	1.1
143.03537	4.1
143.04558	1.3
145.02946	3.5
147.03012	6.6
147.04054	0.8
148.01695	2.9
149.04614	3.6
149.06129	1.1
150.03236	1.5
151.00423	1.0
160.01871	0.9
160.04086	1.6
161.04579	4.9
163.04027	11.4
165.05627	1.4
173.00909	3.7
175.04051	0.9
179.05664	1.2
185.00993	1.1
189.12794	5.0
191.02019	9.4
193.05156	4.1
199.13405	1.3
207.02998	1.0
207.13994	1.1
209.03091	2.6
209.08276	1.0
219.05421	1.8
220.06177	1.6
223.13414	1.0
231.06740	1.0
234.07672	3.6
235.01907	0.7
241.00322	3.1
249.06177	1.4
261.07794	1.4
271.02509	2.3
278.24762	0.9
279.07529	1.8
281.08752	0.7
300.02820	4.7
301.03531	3.5
306.07745	1.5
322.05652	1.5
355.06888	1.1
369.19266	1.0
385.07898	1.9
387.20245	12.7
388.20911	1.3
399.16742	1.6
429.21140	3.7
433.07733	4.0
445.17548	0.9
451.16400	21.9
452.17007	3.1
465.88290	0.8
469.24628	1.5
487.12918	0.8
505.51877	0.8
531.17596	9.8
531.24561	15.4
532.15509	4.3
532.25037	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	531.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	1.7
57.03444	10.2
59.01378	78.9
60.01730	1.1
61.98853	2.1
68.99817	1.1
69.03465	1.8
70.09782	0.6
71.01385	16.8
71.73370	1.0
72.01746	0.9
72.99310	3.8
73.02940	4.9
74.02501	0.7
75.00879	12.5
78.95919	0.8
79.95757	2.1
80.87372	0.6
83.01420	3.0
83.05051	2.0
85.02953	27.2
87.00883	6.6
89.02450	16.5
93.03497	0.9
95.01424	2.6
95.95245	1.5
96.96021	20.0
96.96604	1.1
96.96992	0.9
98.95616	1.1
99.00889	5.7
99.04526	32.5
100.04900	1.8
101.02431	4.0
103.00376	1.6
103.04020	1.3
111.00909	2.5
111.04550	0.8
113.02466	15.9
115.00410	1.9
116.05091	4.2
117.01957	1.2
119.03471	0.7
119.05090	1.5
120.01244	1.3
120.99651	0.9
125.02464	2.4
129.01962	4.7
131.03511	5.1
134.03786	1.7
137.09758	1.4
138.97102	2.1
139.07657	3.0
141.09372	0.7
145.02968	0.9
147.03015	1.9
149.04573	41.1
157.01465	1.1
159.03241	0.9
160.04053	100.0
161.04617	1.1
161.13405	1.6
163.04034	1.6
163.11324	1.0
173.00996	1.1
175.02498	1.4
175.14917	2.2
185.00935	1.0
188.04939	0.7
191.02045	4.8
191.83054	0.7
193.03619	1.3
193.05157	1.3
198.99197	0.8
204.02968	3.2
205.03523	0.7
205.12231	1.3
206.37631	0.7
207.10257	1.3
209.03046	1.3
217.40314	0.8
219.13858	2.1
223.13394	31.0
224.13763	2.0
231.05154	1.7
241.00163	2.2
249.06123	13.9
253.04805	1.6
259.01352	1.6
267.07343	7.3
267.12326	16.4
268.12817	1.4
270.77942	0.7
335.94373	0.7
349.07248	0.9
349.11398	18.4
350.11429	1.2
355.17532	0.9
366.08160	1.4
385.99631	1.2
399.16602	25.8
400.16742	3.0
408.97092	0.9
429.21405	0.8
469.20441	2.2
471.25134	0.8
513.19910	5.4
531.20441	80.1
532.18665	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	531.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.4
57.03448	3.3
59.01377	100.0
60.01710	1.1
61.98835	4.0
69.03465	1.5
71.01387	8.7
71.05029	1.0
71.72872	0.4
71.73275	0.6
72.99306	0.6
73.02953	6.7
75.00889	1.4
78.95921	0.5
79.95744	1.4
80.96496	0.4
81.03474	1.1
81.07106	1.4
83.01396	0.7
83.05071	0.6
85.02956	9.1
85.03452	0.7
87.00883	4.0
87.04514	0.4
89.02453	20.1
90.02794	0.6
93.03532	0.4
95.01409	0.9
95.05009	0.7
95.95247	1.3
96.96024	19.2
97.06588	0.4
98.95613	1.7
99.00906	1.2
99.04532	1.5
101.02438	3.2
103.04015	2.1
107.05044	2.1
108.02175	0.5
109.06586	2.2
111.00890	1.2
111.27176	0.4
113.02441	3.0
119.05033	1.7
120.01283	0.4
125.02475	1.2
125.06102	6.0
129.01950	1.7
131.03514	7.5
135.04585	0.5
138.97073	0.4
141.09193	1.1
147.03004	0.8
148.03998	0.4
149.04572	74.4
150.04962	1.9
150.97047	0.4
151.00400	0.5
160.03947	0.7
161.04510	1.0
161.09715	0.8
161.13376	1.7
163.04005	0.5
163.11328	1.2
179.10773	0.8
185.00949	0.5
187.11249	1.1
189.09277	0.8
191.01984	1.2
205.03442	0.6
205.12253	1.2
207.10275	0.4
209.03027	0.5
223.13391	61.4
224.13791	4.4
228.93788	0.4
241.00218	1.7
242.00526	0.4
249.06009	0.5
249.11212	1.0
256.99545	0.5
267.07449	0.8
267.12354	24.4
268.12671	2.1
271.02625	0.4
276.36548	0.4
285.80124	0.5
295.10706	0.5
321.08640	1.0
353.03354	0.4
381.15442	1.2
399.16586	42.9
400.16968	6.2
403.34753	0.5
408.37207	0.5
457.14099	1.3
513.19916	0.6
531.20483	52.6
532.13837	1.1
532.20715	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	531.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13927	0.7
55.01875	1.5
56.92123	0.7
57.03445	10.5
59.01380	51.3
59.06931	0.6
60.01702	1.0
61.98818	3.1
68.99826	1.6
69.03456	2.3
69.56497	5.9
69.56919	1.4
71.01382	17.6
71.05024	1.0
72.01736	0.9
72.99307	6.7
73.02946	5.6
75.00883	11.2
78.95911	1.5
79.95723	2.8
81.03459	0.8
83.01382	3.2
83.05020	1.3
85.02959	57.0
86.03304	2.0
87.00880	7.9
89.02451	11.5
93.03480	1.0
95.01406	3.1
95.95228	1.0
96.96021	55.1
96.96991	1.5
97.02966	2.5
97.06621	0.9
98.95596	7.9
98.96452	1.6
99.00896	8.0
99.04523	16.5
99.92594	4.6
101.02428	4.5
103.00378	1.7
107.05057	1.3
111.00897	4.5
111.04531	0.8
113.02470	19.7
115.00361	2.4
115.04030	1.4
115.92107	3.5
116.92891	13.5
117.01952	1.8
119.05040	1.6
125.02518	1.0
125.06087	1.1
129.01965	8.2
131.03513	3.3
134.03741	2.6
135.95444	0.8
137.02577	0.7
137.09706	1.1
138.97063	2.3
147.03059	5.2
149.04575	27.8
150.04927	0.8
151.00349	1.2
157.01404	1.1
160.01672	0.8
160.04080	3.6
161.04617	1.2
161.13332	1.4
162.94188	0.7
163.04037	1.5
163.11330	0.9
167.10760	3.5
170.93907	0.9
173.00854	2.3
175.02565	1.2
175.03979	1.6
175.14880	0.9
177.04041	1.3
183.10237	0.9
191.01981	18.3
193.05013	2.4
193.15962	0.8
195.33409	0.7
205.03500	2.5
209.03000	5.0
212.71284	0.8
219.13899	2.7
223.04378	0.8
223.13402	20.0
224.13666	1.1
227.03606	1.0
233.98692	0.8
237.14961	10.4
241.00189	2.6
242.00616	0.8
249.06129	12.8
250.06497	1.1
255.02974	1.6
263.12848	0.9
267.07162	3.2
267.12329	7.9
269.67908	0.7
281.13931	2.4
285.03723	1.0
299.02112	0.9
301.03384	0.9
355.06674	2.1
355.17502	2.9
385.07825	2.3
385.99832	1.3
399.16602	15.0
400.16870	1.2
431.09637	1.1
433.10706	0.8
433.17139	2.8
513.19421	4.6
516.32465	0.8
531.20959	100.0
532.05481	3.0
532.20441	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	1.4
57.31133	1.1
59.01380	11.9
67.01890	1.0
71.01393	15.4
71.70958	1.0
71.71310	1.0
72.99298	2.4
73.02949	3.7
75.00880	14.4
83.01394	20.9
85.02956	12.6
87.00391	1.8
87.00890	27.5
89.02457	3.0
93.56241	0.8
96.96030	7.1
97.02958	1.1
99.00890	2.3
101.02439	2.1
108.02206	4.9
111.00877	4.1
113.02464	2.6
115.00388	64.0
116.00729	2.1
116.92875	1.0
117.01962	1.5
119.05064	1.1
119.98281	0.9
120.01282	1.3
120.43087	0.9
123.04530	9.4
127.00391	2.1
128.03535	1.9
129.01915	1.8
131.05052	8.2
133.03020	0.9
134.03769	6.6
135.03046	5.2
135.04568	1.5
139.00366	4.4
143.04648	2.3
145.02960	2.7
147.03061	1.4
147.04504	3.9
148.05324	68.6
149.02446	1.4
149.04578	1.2
149.05984	9.6
150.06844	1.2
151.04085	1.2
156.00627	1.3
157.01450	5.3
159.04616	1.0
160.05286	1.5
161.02434	4.5
161.06061	0.9
162.03197	6.0
163.03999	4.0
163.07669	40.4
164.04819	5.9
164.08000	3.2
174.01717	17.0
174.03137	2.0
175.02502	100.0
175.03947	4.6
176.01285	1.0
176.02841	3.4
176.04591	0.9
177.04005	1.2
177.05574	8.7
178.06261	1.9
179.07112	6.9
180.07463	0.9
187.03984	1.3
188.04788	9.9
189.05455	2.7
191.01974	2.9
191.03505	1.3
191.07132	2.4
192.04344	7.7
193.04980	1.6
195.06636	3.2
203.07137	9.5
205.01451	3.8
205.03304	1.2
206.05847	7.1
207.06633	40.4
208.06981	3.0
209.03056	5.2
220.03830	5.0
221.04555	3.4
221.08177	20.9
222.08376	1.5
223.06110	1.6
233.08310	1.1
235.06129	2.4
237.07657	2.0
245.08080	2.5
251.05609	38.7
252.05930	2.1
253.07304	1.1
254.07487	1.1
263.09183	5.9
265.07156	2.3
277.19025	1.0
279.08701	1.2
289.07153	2.5
306.07663	6.2
307.08029	1.6
309.06070	2.4
383.09836	9.4
384.10553	1.3
412.19196	0.9
413.10883	85.9
414.11124	10.7
415.12335	1.6
471.11502	14.0
472.11664	1.5
495.11481	1.8
531.13159	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.5
58.00604	0.4
59.01092	0.5
59.01378	8.0
61.93098	0.2
61.98838	2.5
66.95081	0.2
69.03445	0.3
70.98903	0.2
71.01381	6.0
71.72997	0.3
72.99299	0.6
73.02954	1.0
83.01382	0.6
83.04976	0.3
85.02953	1.4
85.95197	0.3
87.00890	0.7
89.02451	5.0
95.01402	0.3
96.96021	1.5
99.00937	0.3
101.02455	6.8
111.08173	0.5
112.29239	0.3
113.02464	2.8
118.81494	0.3
119.03489	1.4
120.87981	0.2
141.09225	0.4
143.03481	0.5
145.05206	0.4
161.04561	3.2
167.10786	0.3
175.91690	0.3
179.05629	1.2
179.14374	0.5
183.13797	0.3
184.14201	0.3
195.13916	7.7
196.14348	1.0
205.12326	0.7
205.15909	0.6
211.13402	1.0
212.68115	0.3
223.13399	5.5
224.13803	0.6
228.13622	0.8
229.61015	0.3
231.21092	0.3
235.16994	0.7
237.09756	0.3
253.09277	31.9
254.09676	1.8
256.13138	0.6
275.20157	6.3
276.20410	0.8
291.19794	0.6
293.21219	100.0
294.21573	11.6
306.12094	0.3
309.20789	2.5
322.82352	0.3
386.24466	0.3
427.53552	0.3
447.09045	0.3
492.21603	0.5
529.29523	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03467	0.6
57.06650	0.3
59.01390	2.0
60.81891	0.3
60.99294	0.5
61.98827	3.1
68.08361	0.3
71.01390	2.7
72.99324	1.2
74.10683	0.2
75.00875	2.7
78.95908	18.0
84.97961	0.3
85.02953	3.0
86.03294	0.4
87.00896	1.2
88.98812	3.0
89.02457	1.0
90.02783	0.3
92.18999	0.2
95.01414	0.6
96.96021	0.5
96.97028	0.4
99.00889	1.7
113.02457	3.6
114.02824	1.1
152.99600	3.1
153.23531	0.3
154.86412	0.3
157.01521	0.4
168.04323	2.9
175.02431	0.4
195.31064	0.3
200.11099	0.3
224.06929	8.5
225.07317	0.4
229.78328	0.3
242.07974	1.4
245.78191	0.3
249.06119	1.4
250.06467	0.7
254.92250	0.3
255.23288	100.0
256.23639	9.9
267.07184	0.8
268.07495	0.5
277.21707	1.8
279.23273	4.7
280.23651	8.0
281.24026	0.5
317.85464	0.3
361.22922	0.3
445.23880	0.5
480.30936	74.1
481.31244	12.1
530.22491	0.8
530.30420	18.6
531.31458	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	529.3013
Annotation	Kukoamine A
Peak:m/z	Relative Intensity
51.75199	0.5
55.01867	1.1
57.03445	2.4
58.51373	0.6
59.01381	9.0
60.99302	1.8
61.98522	0.8
61.98827	9.0
67.01883	0.9
68.99815	1.8
69.03466	4.2
71.00995	1.2
71.01387	20.1
71.05479	0.5
71.31128	1.5
72.99326	3.5
73.02951	1.6
75.00877	14.5
78.95899	5.0
79.32265	0.6
81.78206	0.6
82.79121	0.6
83.01387	4.1
85.02959	20.7
85.59750	0.6
86.02619	0.5
86.03281	0.7
86.54568	0.6
87.00891	5.6
88.04043	0.6
88.98818	9.4
89.02452	5.1
91.04024	1.8
95.01405	6.7
99.00885	15.5
101.02477	0.8
103.00383	2.2
111.00871	3.1
112.01676	1.3
113.02463	30.1
114.02766	0.8
115.00413	1.3
117.01979	0.9
129.01945	0.9
131.03549	2.9
139.00363	0.9
140.48398	0.7
149.04712	0.6
152.99597	1.2
157.01443	3.1
168.04346	0.7
170.23001	0.6
174.84496	0.6
175.02454	0.9
205.07193	2.4
220.76991	0.7
223.08134	1.3
224.06935	1.8
249.06148	21.1
250.06596	1.4
255.23279	27.6
267.07227	5.3
277.21719	7.4
279.23279	81.3
280.23636	9.0
311.26331	0.6
334.72055	0.6
362.19354	1.1
445.23767	2.0
480.30939	21.1
511.28799	1.3
529.30127	100.0
530.21539	2.1
530.30341	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25906	1.7
58.00598	3.0
59.01380	30.5
60.01686	1.5
60.36045	1.5
61.98824	5.3
64.72191	1.9
69.41662	9.5
69.42097	9.3
71.01387	46.9
72.99291	1.9
73.02953	15.5
75.00881	3.5
80.96527	4.7
81.91099	1.6
82.96099	5.0
83.01376	2.1
85.02958	13.7
87.00881	2.7
89.02455	25.0
96.96012	3.4
96.97636	2.5
97.02966	3.3
97.06603	1.9
101.02457	31.8
113.02468	19.0
119.03500	6.1
125.02440	1.8
131.03532	14.7
143.03407	1.9
149.04523	2.6
165.43787	1.6
255.21188	2.0
263.23743	2.4
273.22177	5.8
277.21722	100.0
278.22095	13.7
291.23288	50.5
292.23605	5.0
301.21667	15.3
319.22803	21.2
331.22717	2.6
349.23816	4.5
387.72632	1.9
529.25269	19.8
530.25452	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	527.299
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33516	15.4
59.01392	17.6
61.98827	100.0
71.28600	25.0
71.28943	34.9
82.73586	19.2
99.24452	16.9
124.65384	15.5
126.62566	18.3
155.62611	16.7
253.25235	16.1
255.23227	18.7
298.91620	19.0
344.12054	17.9
359.80405	20.2
382.10300	21.3
527.30219	43.3
528.29364	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	529.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51937	0.5
55.01870	0.7
57.03450	19.8
58.00582	1.3
59.01380	26.0
59.63264	0.5
61.98827	1.6
66.58958	0.7
68.99820	0.9
69.03439	0.7
69.57158	4.8
71.01387	16.8
72.99306	3.4
73.02946	7.6
74.27448	0.6
75.00877	10.4
78.95903	2.7
79.95755	2.7
81.03493	0.9
83.01390	2.9
83.05035	4.9
85.02962	17.7
86.03256	0.6
86.09063	0.5
87.00907	4.3
89.02456	7.1
93.03467	0.7
95.01392	4.4
95.95241	0.7
96.96024	89.5
97.06583	0.5
98.95587	1.1
99.00909	5.5
99.04539	18.3
101.02450	13.3
103.00373	1.8
108.04635	0.6
108.29493	0.5
109.02978	0.6
111.00925	0.7
113.02466	22.1
115.00392	1.6
117.01973	1.5
119.03535	2.7
120.37086	0.5
123.04545	5.2
125.02463	9.7
129.01956	1.7
131.03493	1.6
139.11281	1.9
141.05630	0.7
143.03505	2.3
149.04546	2.9
153.12833	1.7
161.04538	6.8
165.05605	0.7
168.00710	0.6
169.01361	0.9
174.01669	1.7
175.02499	1.7
179.05615	3.1
181.12347	0.8
194.83769	0.6
199.13419	40.3
200.13745	3.4
205.07187	1.8
205.12325	0.8
219.26627	0.6
221.06699	1.1
223.08047	0.7
225.01604	1.1
231.05118	1.8
241.00204	2.3
249.06145	12.4
250.06465	1.2
257.19104	0.6
261.09631	0.6
263.07645	0.9
267.07184	8.0
268.07611	0.7
296.41193	0.6
323.09866	3.5
353.12643	2.5
443.16098	0.7
449.20258	41.1
449.67554	0.6
450.20731	5.0
453.18597	0.8
485.23660	1.0
529.15790	100.0
529.22223	6.2
530.16187	15.4
530.23016	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33142	0.3
55.01878	0.7
57.03449	3.0
59.01378	14.0
61.98825	1.8
62.99221	0.4
67.01868	0.6
69.03458	0.8
69.76301	0.9
69.76723	2.1
71.01386	11.6
71.42002	0.4
72.99312	3.2
73.02944	2.7
75.00874	10.1
78.95916	1.4
79.95728	3.3
81.03494	0.7
83.01390	0.6
85.02955	14.4
87.00880	5.0
88.98766	0.6
89.02453	4.3
95.01397	3.2
95.95249	0.8
96.96021	90.1
97.02985	0.7
98.20762	0.4
98.95589	0.4
99.00887	6.5
99.04516	2.4
99.25704	0.4
101.02443	2.2
103.00380	1.7
111.00893	0.8
113.02459	17.9
114.02773	0.8
115.00369	1.8
117.01948	1.9
119.03591	0.4
119.05048	1.0
120.01259	0.5
121.02972	0.8
123.04512	0.6
125.02454	1.1
128.95741	0.4
129.01947	1.8
129.35341	0.4
137.71712	0.4
138.97087	0.6
139.11322	2.5
143.03545	0.4
144.04604	0.4
149.04524	1.0
153.12901	2.0
156.00751	0.5
157.01436	0.9
161.04565	1.1
169.01511	0.6
174.01715	1.5
175.02501	2.1
181.12408	1.0
185.00967	0.5
199.13409	48.7
200.13763	3.6
205.07181	1.7
223.08232	0.5
231.05090	1.8
241.00201	2.4
249.06136	14.5
250.06389	0.6
267.07181	6.0
306.07663	0.6
330.22150	0.4
353.12662	2.0
389.18054	0.4
392.57486	0.5
397.08057	0.8
443.16382	0.5
449.20239	38.3
450.20630	5.3
453.58191	0.6
529.15802	100.0
530.04510	0.5
530.16217	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	527.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93692	0.7
55.01867	0.9
57.03448	3.6
58.00586	0.9
59.01380	15.0
69.03468	1.7
69.61572	5.8
71.01384	19.9
72.99309	5.4
73.02950	1.9
75.00874	15.3
75.98712	0.6
76.18920	0.6
80.96531	0.7
81.70492	0.8
83.01396	1.5
85.02958	22.7
86.03269	0.9
87.00889	8.6
87.83382	0.7
89.02448	5.6
91.04015	0.8
95.01392	6.1
98.20560	1.6
99.00878	11.6
103.00379	2.9
111.00880	1.5
112.01643	0.8
113.02460	30.1
114.02800	0.9
115.00408	2.1
117.01955	2.0
129.02003	1.6
131.03465	1.4
157.01476	1.5
175.02486	3.0
205.07195	2.7
223.08260	1.7
223.72023	0.8
249.06133	11.0
267.07190	9.5
277.21710	59.0
278.22049	6.1
509.27579	2.1
527.28601	100.0
528.28943	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03445	7.4
52.30480	8.0
58.14981	6.8
61.98829	100.0
71.73016	7.8
71.73457	8.7
88.98806	25.4
95.58836	7.5
96.56283	7.0
107.03857	6.9
128.86650	8.0
144.34343	7.3
170.97116	7.1
255.23157	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	527.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.8
59.01379	3.5
61.98836	1.7
63.96237	0.7
69.03460	0.9
69.80987	0.2
71.01383	7.1
72.99326	0.2
73.02953	2.1
73.13611	0.2
75.00883	0.5
78.98603	4.5
79.95738	7.8
80.96521	53.1
81.03461	0.7
83.01382	0.3
85.02951	3.2
87.00885	2.4
89.02438	0.4
94.98094	14.5
95.01396	0.5
95.95222	0.4
96.96022	12.1
97.02940	1.6
98.95614	0.3
99.00877	0.7
99.04521	0.3
101.02465	3.4
106.98100	2.5
111.00874	0.4
111.29935	0.2
113.02443	1.3
120.01241	0.4
122.97597	4.5
125.02448	2.5
127.04043	0.7
129.01894	0.3
134.97604	4.0
135.04517	0.3
136.99153	1.0
138.97122	0.4
140.23650	0.2
146.97572	0.3
147.03008	0.4
148.99158	5.4
149.04538	0.3
150.97079	0.3
152.98657	6.8
152.99910	0.4
160.04092	0.3
164.98640	11.2
165.12830	0.8
165.99040	0.3
167.00197	0.4
179.00125	0.3
182.99686	1.6
183.13902	4.5
184.14133	0.2
188.98657	0.6
191.01909	0.2
191.03532	0.3
191.05608	0.3
206.99686	3.1
225.00740	20.7
226.00987	0.8
227.12807	0.5
241.00259	0.6
243.01775	2.0
285.07541	0.2
299.04346	2.7
317.05695	0.2
361.18750	0.4
441.14191	0.8
483.20065	1.8
509.16821	0.4
527.17914	100.0
528.18231	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	527.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95487	0.6
59.01371	1.4
60.68571	0.6
61.05177	0.6
61.98830	1.5
63.96237	1.2
69.03454	0.7
71.01396	6.6
71.42846	0.7
71.43204	1.1
73.02934	1.8
78.98603	4.9
79.95738	6.5
80.96523	59.4
81.03460	1.1
85.02948	2.6
87.00893	1.9
91.41276	0.6
94.98093	15.2
96.96000	1.9
97.02942	1.2
101.02441	3.2
102.48454	0.6
106.98112	3.1
107.88614	0.7
114.01694	0.6
122.97581	5.0
124.96797	1.0
125.02453	3.2
134.97630	4.3
136.99118	1.1
138.84959	0.6
138.86110	0.6
148.99162	6.4
152.98643	6.7
164.98651	11.0
182.99677	2.2
206.99678	3.7
207.76550	0.6
225.00739	19.7
227.20163	2.4
240.32426	0.6
243.01837	1.1
253.21695	0.9
298.17929	0.7
299.04468	2.9
313.20386	0.6
527.25256	100.0
528.25641	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	527.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08991	0.3
55.01878	0.9
57.03450	2.5
58.00582	1.0
59.01091	0.7
59.01378	12.6
61.98814	1.1
68.47634	0.3
68.99186	0.4
68.99814	1.4
69.03464	1.2
70.29933	1.3
71.01385	18.0
72.99311	5.4
73.02956	1.1
75.00877	19.7
81.03462	0.5
83.01384	1.2
85.02957	20.4
87.00880	6.6
89.02441	3.9
91.04020	0.6
93.03415	0.5
95.01400	4.5
98.19955	0.6
99.00893	10.8
101.02468	0.5
103.00385	2.1
107.74854	0.4
111.00898	0.8
113.02463	24.6
114.02789	1.0
115.00382	1.7
117.01967	2.7
124.89967	0.4
129.01979	1.9
131.03548	0.6
139.00497	0.5
145.43416	0.4
157.01445	1.1
175.02464	3.0
203.96086	0.4
205.07176	1.2
231.05099	2.2
233.22900	0.7
249.06142	19.1
250.06560	1.0
259.20709	0.6
267.07129	3.7
275.20123	0.5
277.21722	67.2
278.22046	7.4
450.58118	0.4
467.26331	0.5
492.54837	0.4
509.27631	3.3
514.02069	0.4
527.28571	100.0
528.28918	20.5
534.67358	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.5
57.03445	0.9
59.01380	10.3
61.98833	100.0
69.03465	0.8
71.01382	4.9
71.73062	1.0
72.99312	0.9
73.02963	2.1
75.00893	0.7
79.95758	1.7
83.01405	0.8
85.02969	3.5
87.00914	0.6
89.02446	2.6
95.95279	0.5
96.96016	18.8
98.95599	1.0
99.00916	0.6
101.02450	4.4
103.00396	0.6
108.02212	0.6
111.00922	0.9
113.01798	0.5
113.02468	2.6
119.03497	0.5
119.05037	0.5
129.01909	0.7
135.03058	0.5
137.06139	0.8
138.06400	0.5
143.03493	0.4
147.03035	0.7
151.97667	0.5
159.10547	0.5
161.04610	1.4
163.04019	0.7
164.98758	0.7
165.12898	3.3
176.74774	0.5
183.13908	37.3
184.14291	2.6
195.06784	0.5
227.12904	2.7
241.00259	0.9
253.09225	3.5
432.15543	0.7
441.14331	0.8
463.21838	54.3
464.22302	7.1
483.15567	1.2
508.17377	2.6
526.19391	3.3
527.14740	0.9
527.21808	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	527.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	14.3
57.23249	0.5
57.91104	0.5
59.01379	5.5
63.43206	0.5
64.98090	0.5
71.01383	3.3
71.27303	0.9
79.95752	2.7
80.16032	0.5
80.96514	1.4
83.01382	0.5
84.00900	0.9
85.02952	1.3
85.04060	1.1
95.95248	0.7
96.96021	93.3
99.04528	14.4
99.05177	0.9
101.02457	6.1
107.57787	0.6
113.02461	0.7
113.03573	1.0
119.61786	0.5
123.04475	0.7
125.02451	2.1
126.01994	2.5
138.97134	0.9
139.12363	0.7
140.02298	17.9
141.03090	19.8
142.03445	0.7
143.03549	0.7
150.97104	0.6
161.04579	10.6
164.98662	1.6
167.03482	1.2
183.04097	2.2
222.99162	4.3
241.00212	5.8
283.01306	0.8
285.07355	3.9
303.08316	8.3
304.08719	0.8
305.08734	0.6
313.87262	0.5
323.04385	2.1
325.02426	1.5
329.08789	1.4
345.05603	0.6
345.09421	7.9
346.09814	1.1
365.02960	8.2
383.04126	2.7
385.04462	10.5
385.12231	2.8
386.04794	1.1
397.92044	0.6
447.12683	5.4
448.12878	0.9
467.06104	0.7
527.08173	100.0
528.08453	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	526.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.5
61.98830	9.4
63.02427	0.8
64.49491	0.6
65.00325	0.8
69.76885	3.4
69.77289	1.4
71.01373	0.9
78.95908	3.0
79.95749	1.0
83.01417	1.2
85.02949	1.4
91.63366	0.7
95.95232	1.6
96.96021	9.5
101.46784	0.6
107.01408	1.0
121.02951	1.9
134.16373	0.6
135.00856	0.9
148.01694	0.9
151.00391	8.8
163.00385	1.7
169.01414	0.9
178.99919	4.8
211.04085	0.7
225.01717	2.3
226.02689	1.3
227.03604	1.6
239.03650	0.7
243.02939	6.3
245.04668	0.9
254.02142	1.8
255.02979	17.2
256.03442	1.7
271.02472	39.9
272.02979	4.4
283.02347	1.1
299.01996	0.7
300.02762	84.8
301.03452	40.8
302.03992	3.6
411.67047	0.8
440.13446	0.9
463.08817	100.0
464.09180	15.6
525.20032	2.0
526.19806	2.3
527.18634	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	525.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89842	0.5
52.61996	0.6
57.03449	22.0
59.01375	4.2
61.89405	0.5
71.01392	2.4
71.15336	1.2
73.02932	1.1
79.95741	4.4
80.96517	0.9
85.02945	2.0
91.23351	0.6
95.95236	1.4
96.96022	54.3
99.04528	16.6
100.04842	0.7
101.02451	7.4
110.87469	0.5
113.02463	1.3
123.00901	2.1
124.01685	17.8
125.02548	2.3
138.03259	1.0
139.04034	19.6
140.04347	0.9
161.04587	10.3
164.98628	0.9
168.00305	0.5
191.01874	0.5
222.99138	0.7
225.00835	0.8
241.00211	3.0
275.74081	0.6
283.08170	1.2
301.09097	0.7
306.53711	0.5
323.04401	0.6
343.10532	0.7
363.03897	2.2
381.05106	3.7
385.04239	1.0
423.06714	0.5
442.62418	0.6
445.13321	0.6
463.09131	1.9
465.07309	1.1
525.09149	100.0
526.09436	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	525.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79388	0.4
55.01870	0.6
57.03448	1.0
57.18961	0.4
59.01378	14.2
61.86953	0.4
61.98819	1.0
71.01391	3.7
71.18654	1.1
73.02943	1.8
75.00876	0.6
79.95747	6.3
80.96526	3.1
83.01382	0.9
85.02955	7.6
87.00896	1.0
89.02471	1.3
91.54627	0.5
95.01384	0.5
95.95255	2.3
96.96024	100.0
97.03005	0.6
97.95953	0.5
98.95635	1.1
99.00867	0.7
101.02474	3.3
103.00387	8.8
107.87921	0.4
113.02460	1.8
119.03576	0.6
119.05042	1.7
120.01276	2.3
120.96039	0.6
121.02941	0.6
125.02441	0.6
129.01991	1.1
135.04628	0.6
137.02509	0.5
138.97061	1.4
143.03523	0.5
147.02991	0.6
150.97043	1.1
152.98651	1.5
159.10262	0.6
161.04610	0.6
164.98677	5.4
165.98950	0.5
166.05023	0.7
180.98152	3.1
191.01979	1.9
198.99184	1.1
201.11362	0.5
205.03491	0.8
222.99249	0.4
241.00249	7.0
256.99677	1.1
259.01208	0.5
283.01254	0.6
317.02933	0.5
361.05777	0.5
381.08569	1.3
409.08197	0.8
421.11755	4.0
439.12805	86.2
440.13153	10.9
463.13089	0.7
464.03723	0.5
481.13840	41.2
482.14230	6.0
483.15268	1.5
507.11932	1.3
520.15417	0.4
525.12659	64.4
525.19696	3.9
526.12994	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53553	0.2
57.03447	0.2
59.01382	4.0
61.98833	100.0
62.98525	0.2
68.85365	0.2
71.01395	1.4
71.73218	0.2
71.73588	0.2
73.02953	0.4
75.00887	0.3
78.95949	0.2
79.95754	0.5
85.02953	0.9
88.04030	0.2
89.02470	0.6
93.03499	0.1
95.05016	0.2
96.96026	4.0
99.00906	0.3
101.02439	0.9
109.03024	0.2
110.06161	0.3
113.02482	0.5
114.56613	0.1
119.03568	0.2
120.01283	0.2
122.06149	0.4
129.01978	0.2
131.03464	0.2
134.06137	0.3
137.02496	0.5
138.97043	0.2
143.03539	0.2
146.06136	0.2
152.07211	0.3
165.05685	0.2
167.10896	0.2
180.06674	0.9
188.07243	0.6
193.39191	0.2
213.10248	0.2
236.18489	0.1
237.10402	0.2
239.11949	0.5
241.00229	0.4
251.11998	0.2
252.08862	0.2
264.08926	0.4
265.09695	1.0
266.10611	0.2
267.11542	0.4
279.07928	0.3
279.11099	0.3
280.12088	0.4
281.13077	0.2
288.22617	0.3
292.08698	0.2
293.09280	0.7
307.10919	1.4
308.11539	2.4
311.10474	0.2
340.10614	0.8
351.09842	0.4
352.10519	0.7
362.30026	0.2
418.18021	0.2
430.17789	1.4
431.18106	0.3
448.18784	2.7
449.19168	0.5
474.16980	0.4
492.17789	4.9
493.18115	1.0
523.34882	0.7
524.20544	3.0
524.35156	1.2
525.20270	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66661	0.5
55.01846	0.7
57.03386	1.5
59.01318	8.0
60.01665	0.9
61.98769	9.2
61.99113	0.7
67.00860	0.5
69.52373	3.5
69.52796	1.4
71.01383	2.7
73.02924	1.0
75.00832	0.9
79.95707	1.1
85.02946	4.9
87.00835	0.9
88.98763	0.9
89.02402	0.8
93.03397	0.9
94.06597	1.1
95.04980	0.9
95.95175	0.7
96.96022	13.5
98.95544	0.6
101.02412	1.2
106.06556	1.9
108.04565	4.9
108.08145	0.7
109.02924	1.0
110.06141	6.2
111.00849	1.0
113.02397	1.3
118.06626	0.7
120.01230	0.8
122.06139	7.4
129.01903	1.2
130.06526	0.9
134.06133	7.8
135.04422	0.7
136.07693	4.8
137.02390	1.7
137.06032	1.0
144.04581	0.7
145.05280	0.7
146.06152	2.9
148.07590	1.7
152.07193	6.2
153.01819	0.7
153.36578	0.5
159.06815	1.0
160.03998	1.1
160.07651	0.7
161.04752	1.2
162.05531	1.2
173.04704	1.0
174.05557	3.0
177.22801	0.5
179.03452	0.9
180.06676	20.3
181.05011	1.2
181.06903	0.9
186.05524	1.9
187.06384	1.3
188.07164	8.6
189.07503	0.9
191.01863	1.0
195.10214	1.4
201.10426	2.5
203.05777	1.0
203.11769	1.3
205.03365	0.7
210.07864	1.8
211.08722	1.2
213.10258	0.6
215.11896	2.7
223.08653	2.0
224.09377	2.1
225.10172	1.4
227.11743	0.6
233.13083	0.7
236.09538	1.3
237.10371	4.8
238.07364	1.7
238.10872	1.4
239.08162	0.8
239.11874	12.2
240.12375	2.0
241.00092	1.6
241.09525	0.7
241.13417	2.4
249.10175	1.6
250.07307	0.9
251.08218	4.0
251.11946	3.3
252.08804	1.6
252.12567	0.9
253.09639	1.9
253.13408	0.6
261.10214	0.9
263.08078	0.6
263.11935	3.5
264.08997	3.2
264.11456	0.5
265.09769	12.4
266.10455	4.3
267.11313	6.6
268.11734	0.9
271.10788	0.9
277.09879	1.2
278.10641	0.6
279.07660	4.5
279.11261	7.8
280.08359	1.6
280.12003	5.7
281.09241	1.3
281.12741	1.1
282.09918	0.7
283.10751	1.4
289.09702	1.8
290.10452	2.1
291.11526	3.5
292.08615	3.1
293.09268	14.7
294.09695	1.5
296.11603	0.9
298.09506	2.0
306.09985	0.9
307.10867	20.9
308.11615	41.1
309.12097	5.8
311.10422	3.7
312.10864	1.7
322.09702	0.8
324.11063	0.5
325.11810	0.7
332.13742	0.7
340.10651	17.4
341.10757	1.7
351.09888	1.5
352.10471	2.0
362.18692	0.9
376.16672	1.0
380.19907	0.7
387.16000	0.8
388.16708	2.7
391.26938	1.4
392.15894	0.8
392.27429	2.6
394.17783	0.7
400.16269	0.7
402.18594	1.1
406.17822	1.2
418.17719	5.2
419.18307	1.0
424.18427	0.6
430.17673	29.3
431.18097	5.0
433.16025	0.8
448.18759	48.4
449.19135	9.3
450.16730	0.6
451.17383	1.2
456.15652	1.6
462.16748	1.5
474.16617	6.2
475.16971	1.0
492.17737	100.0
493.17987	18.3
506.18933	2.8
507.19577	1.5
524.20355	43.7
525.20441	12.4
554.90051	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.291
Annotation	Carthamosterone B
Peak:m/z	Relative Intensity
55.01871	3.1
57.03446	4.8
58.00601	1.1
59.01378	90.7
61.98830	5.8
63.44332	0.6
68.99789	0.8
69.03450	3.1
69.45248	8.1
71.01382	47.5
71.05006	0.9
72.01704	0.7
72.86353	0.6
72.99310	3.0
73.02950	17.7
75.00872	1.1
79.95718	1.1
83.01400	8.7
85.02958	28.3
86.00103	1.0
87.00874	2.9
88.98824	0.7
89.02455	9.0
95.01395	5.7
96.96025	9.1
97.02946	2.5
97.27864	0.7
98.95581	1.1
99.00891	7.6
101.02448	25.2
113.02466	28.9
114.02827	0.9
119.03529	2.4
125.02422	1.5
129.01924	1.1
131.03494	1.1
132.29587	0.8
143.03537	2.8
159.03008	2.0
161.04590	16.1
177.76891	0.7
234.50197	0.8
247.20763	1.6
275.23883	2.2
301.21793	3.6
303.23276	12.1
304.23483	0.9
319.22754	28.7
320.23154	4.0
419.27985	0.9
437.29086	5.9
463.26978	55.9
464.27411	8.8
481.28012	35.9
482.28253	6.3
506.32193	0.9
522.99713	1.5
523.29114	100.0
524.29456	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	524.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.4
57.95568	0.2
59.01379	2.8
60.55949	0.2
61.98830	100.0
65.93575	0.2
66.98920	0.2
69.62997	1.8
71.01382	1.2
72.99335	0.2
73.02959	0.4
75.00893	0.6
78.95927	0.2
79.27603	0.2
79.95744	0.7
83.01418	0.3
84.80514	0.2
85.02954	3.8
86.51257	0.2
87.00896	0.4
88.98825	0.6
89.02474	0.3
93.03484	0.7
95.95239	0.3
96.96025	5.7
99.04488	0.2
101.02469	0.5
108.02170	0.2
111.00915	0.4
112.88121	0.2
113.02470	0.4
119.05064	0.4
120.01295	0.3
125.02462	0.4
126.74785	0.2
136.07634	0.2
137.02493	1.0
147.03055	0.6
151.00407	0.3
163.04054	0.3
167.03577	0.3
180.06656	0.3
191.02003	1.2
199.04044	0.3
227.03433	0.3
241.00282	0.6
242.02301	0.4
243.02946	3.8
244.03458	0.4
255.03036	0.6
257.04587	0.9
270.01678	0.8
271.02432	4.5
272.03006	0.5
285.04056	2.3
286.04657	0.9
299.02020	2.0
300.02631	1.9
314.04312	7.8
315.05048	4.6
371.66519	0.2
375.27893	0.3
391.26807	1.9
392.27469	0.6
439.16724	0.3
448.18539	0.4
461.10861	17.3
462.11288	2.7
492.18292	0.5
523.34467	0.9
524.19629	1.1
525.20599	2.7
528.28149	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92981	0.4
57.03433	1.4
59.01097	0.5
59.01378	7.1
67.22081	0.4
69.30201	0.4
70.91784	1.2
71.01390	3.0
72.99318	0.8
73.02936	1.5
75.00879	1.3
79.95731	2.3
80.96519	0.8
85.02954	7.3
87.00870	0.6
89.02435	1.3
93.03455	1.3
95.95248	1.3
96.96017	27.5
98.95631	0.6
99.00866	0.7
99.04536	0.4
101.02446	1.7
103.00388	1.3
108.02168	0.4
109.02972	4.6
110.22470	0.4
111.00902	0.7
111.04543	0.5
113.02457	1.4
119.05064	0.6
120.00540	0.4
120.01266	2.3
121.02962	12.9
122.03774	11.3
123.04525	1.4
124.01668	1.3
125.02458	0.5
126.47360	0.4
129.01939	1.1
129.03467	0.5
131.03520	0.5
133.02908	0.5
134.03726	1.2
135.04556	1.9
136.01674	0.7
136.05318	2.4
137.02437	2.4
138.97110	0.4
139.11287	1.8
146.03697	0.4
147.03244	0.6
147.04539	5.2
148.05307	0.6
149.02422	1.4
149.04587	0.5
149.06085	1.1
150.03247	6.0
150.97083	0.5
151.04037	2.0
154.02728	1.6
155.10791	0.6
161.04605	0.4
161.06070	1.9
162.06857	0.8
163.04034	0.7
164.04790	1.1
164.98628	1.2
165.05579	27.3
166.05942	1.1
173.06026	0.5
175.07686	0.4
176.04688	0.5
177.05666	0.4
179.03662	0.4
179.05678	0.7
179.07147	7.7
180.04248	0.5
180.07568	0.4
180.98141	0.5
181.05066	0.9
181.12320	1.1
183.10211	2.3
191.01955	1.4
191.07193	0.4
195.06650	4.5
199.09741	0.5
199.13382	0.7
205.03577	1.0
209.08217	0.6
223.09755	0.9
225.11292	0.8
241.00153	3.2
243.12329	4.3
243.45482	0.5
256.99841	0.5
281.14990	0.4
283.09616	0.8
298.12128	0.5
311.09235	1.2
313.14609	0.9
315.12500	2.4
316.13086	0.8
343.11911	7.8
343.15805	0.9
344.12280	0.9
346.14200	8.9
347.14578	1.2
361.16559	100.0
362.16928	14.0
375.16586	1.5
391.13815	7.3
392.14462	1.0
419.10269	0.5
426.36948	0.4
437.11194	10.3
438.11475	1.2
443.30182	0.8
479.12323	6.5
481.18307	0.5
523.11731	5.6
523.19958	2.7
524.16290	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	2.4
59.01378	19.7
61.98841	0.7
69.03463	0.9
71.01389	7.8
71.14918	0.6
71.73309	0.9
72.99336	0.9
73.02957	3.7
75.00890	0.8
77.23810	0.6
79.95770	2.0
83.01383	1.0
85.02954	8.2
87.00882	1.8
89.02458	5.5
89.68475	0.8
93.03475	0.9
96.96017	24.2
97.02991	0.8
101.02450	4.8
103.00407	1.9
108.02200	3.0
109.02982	1.1
111.00903	1.0
113.02507	2.5
119.03542	1.2
119.05070	1.6
120.01260	0.9
121.02977	10.0
122.03798	5.6
123.04550	5.7
124.01705	0.9
125.02501	0.9
131.02641	0.7
131.03543	2.7
132.02193	1.4
133.02980	5.1
134.03755	3.0
135.04536	9.2
136.05316	23.1
137.02461	1.2
137.06160	3.5
138.97084	0.7
139.11299	4.2
147.03038	1.8
147.04524	1.5
148.01701	0.7
149.02472	16.8
149.04546	4.0
149.05954	3.6
150.03247	72.8
151.04036	18.7
151.07689	3.5
152.04419	0.7
152.07156	0.9
155.10869	1.6
160.04129	1.5
161.04684	1.0
161.05994	1.0
162.03223	1.1
163.04030	2.1
164.04802	7.3
164.98647	1.9
165.05580	40.5
166.02814	0.9
166.05939	2.2
167.07071	0.8
170.66231	0.7
177.05667	1.0
179.03441	1.3
179.07161	1.6
180.04297	2.5
180.07933	7.6
180.98151	0.9
181.05063	11.6
181.12325	0.9
182.05701	1.0
183.10269	11.2
191.02013	2.5
193.05016	0.7
194.05832	2.6
195.06636	49.0
196.07014	2.1
199.09828	1.0
212.06911	1.3
241.00279	2.2
241.08731	1.0
243.12407	3.0
269.08044	1.4
283.09738	8.3
284.10443	2.5
297.11877	5.4
299.09189	1.9
300.09924	1.0
311.09286	14.1
312.09555	2.0
313.11703	1.3
316.09711	1.3
316.13278	1.3
328.13232	1.9
331.15503	4.3
343.11874	100.0
344.12161	12.7
350.03333	0.8
361.16562	26.1
362.17050	3.8
373.12823	1.4
375.16605	1.4
391.13980	96.6
392.14264	15.0
425.53763	0.7
437.11661	11.5
438.11841	1.3
463.21875	2.6
464.22028	0.9
476.44077	0.8
479.12598	6.2
480.18243	1.0
496.92538	0.9
523.11145	6.3
523.18622	19.3
523.27917	2.6
524.10541	1.4
524.18182	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	523.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.1
58.17868	0.9
59.01092	1.2
59.01379	16.3
67.43512	0.7
69.67503	6.7
71.01383	5.3
72.36608	0.8
73.02943	2.9
85.02951	10.3
87.00892	1.4
89.02444	2.9
95.95202	1.8
96.96015	22.9
98.20610	1.3
99.00887	1.0
99.04564	1.0
101.02460	2.2
103.00345	1.3
106.06671	1.1
108.02155	1.3
113.02443	1.8
119.05045	1.3
121.02965	11.6
122.03767	6.6
122.06139	1.4
122.09543	0.9
123.04568	6.1
124.01683	1.4
129.01935	2.1
131.03534	2.0
132.02155	1.3
133.02989	5.1
134.03743	2.2
135.04556	7.2
136.05310	21.7
137.06053	3.8
139.11292	2.4
147.02969	1.3
147.04539	1.0
149.02467	16.0
149.04556	2.7
149.06091	3.4
150.03241	71.2
151.04037	19.4
151.07632	3.1
153.01932	1.0
155.10735	1.1
159.97896	0.9
160.03983	1.5
161.02435	1.0
163.04018	1.8
164.04828	6.1
164.98590	1.6
165.05583	42.2
180.04327	3.1
180.07826	4.6
181.05083	12.3
183.10260	9.0
184.91840	1.0
191.01979	3.5
194.05861	2.6
195.06628	48.9
196.06978	2.8
241.00240	2.6
241.08720	1.2
243.12366	1.6
251.06958	0.9
269.08118	2.3
283.09781	8.6
284.10477	2.8
293.25330	0.8
297.11847	3.2
299.09286	1.1
300.10031	1.1
301.11807	1.5
311.09241	13.2
312.09702	1.5
313.11731	2.4
316.09335	0.9
328.13239	1.2
331.15146	1.1
343.11856	99.3
344.12186	11.1
361.16522	15.5
362.16730	2.1
391.13971	100.0
392.14310	13.3
406.17139	1.0
437.06058	1.4
437.12021	6.3
463.21936	2.8
479.12860	4.4
523.11005	5.0
523.18463	15.8
524.10077	0.9
524.17462	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	523.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29831	0.3
52.80748	0.3
52.98003	0.4
55.01878	0.6
56.70081	0.4
57.03442	0.8
58.00574	0.6
59.01377	17.1
62.68950	0.4
70.91079	0.6
70.91441	0.9
71.01386	13.2
72.99304	1.1
73.02945	2.5
75.00859	0.4
76.19522	0.4
79.95741	1.2
80.96497	0.6
83.01387	1.8
85.02964	5.9
86.00113	0.5
87.00880	0.8
89.02449	9.7
95.01379	0.7
96.96019	27.9
99.00879	1.1
101.01785	0.6
101.02456	12.9
102.02812	0.4
111.04517	0.7
113.02459	6.9
116.92865	0.6
119.03515	4.1
122.97507	0.4
123.08260	0.5
138.97055	1.8
156.53981	0.4
161.04602	0.7
180.98148	0.6
189.12921	0.9
209.02917	0.4
219.13873	1.1
237.14963	1.2
241.00232	9.6
242.00505	0.5
394.08014	0.4
443.14124	0.3
443.19199	17.6
444.19431	2.6
523.14874	100.0
524.15228	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	523.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14912	0.6
55.01875	0.8
57.03447	4.2
59.01376	11.5
60.99308	16.0
61.98809	1.2
62.09465	0.6
69.88289	4.4
71.01391	5.8
72.42408	0.5
73.02949	1.6
79.95737	1.8
80.96516	1.0
83.01407	1.3
85.02958	17.7
86.03293	1.2
86.22546	0.5
87.00895	0.9
88.98815	100.0
89.02456	1.8
89.99105	1.0
95.01404	0.7
95.95242	1.0
96.96017	23.0
99.00869	0.8
99.04527	0.6
101.02454	4.0
103.00402	0.7
107.01380	1.0
108.02171	1.8
109.02955	2.0
111.00895	0.6
113.02445	1.7
120.92018	0.6
121.02978	3.1
122.03773	1.5
123.04534	2.4
129.01956	3.7
131.07176	1.3
135.04556	0.9
136.05319	0.7
147.03011	1.7
147.04543	1.6
149.02448	0.9
150.03241	2.2
151.00388	5.4
151.03964	1.1
152.01064	0.6
155.10747	0.7
161.04568	0.9
163.00343	1.4
165.05566	5.2
167.03496	1.0
178.99951	2.9
179.03331	0.6
179.07146	1.5
191.02002	6.8
195.06607	0.9
199.03912	0.6
204.32924	0.6
205.03596	1.1
209.11743	0.8
211.03899	0.7
220.06000	0.6
227.03542	0.9
241.00290	2.0
243.02975	3.8
245.04533	0.6
255.02954	10.4
271.02466	23.3
271.05389	1.1
272.02985	2.9
272.05811	0.7
299.01999	0.7
300.02756	49.3
301.03473	30.1
302.03967	2.4
343.11832	1.9
346.14185	1.9
361.16522	12.5
362.17145	1.5
385.04504	1.0
391.14151	2.4
391.27090	1.0
433.07742	71.6
434.08105	11.0
437.10696	1.0
448.19150	0.9
479.17371	0.9
479.24774	0.7
492.17688	2.1
523.14825	9.0
523.21747	17.0
523.29364	1.2
524.07251	1.3
524.14667	1.3
524.22766	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33234	0.4
57.03444	2.0
59.01390	5.8
60.99307	15.1
65.00332	0.6
71.01385	3.5
71.73244	0.5
73.02952	1.3
79.95736	1.1
81.39051	0.4
83.01395	1.5
85.02961	9.8
87.00858	0.7
88.98817	100.0
89.02441	1.3
89.99164	1.1
95.95245	0.9
96.96028	6.5
101.02451	1.6
105.18179	0.4
107.01424	1.7
108.02212	0.8
109.02956	1.7
111.00871	0.9
113.02522	1.2
121.02996	2.4
122.03739	0.8
123.04502	0.7
125.02452	0.8
129.01973	1.6
129.03003	0.4
134.03802	0.5
134.32166	0.4
135.00929	0.5
135.04523	0.5
137.02472	0.4
138.01981	0.8
147.02998	0.8
147.04556	0.9
148.01724	0.7
148.04042	0.6
151.00400	6.0
152.00873	0.5
154.87421	0.6
161.04518	0.7
163.00401	1.7
165.05562	2.4
178.99899	4.0
187.04034	0.5
191.02043	3.8
211.03987	0.7
227.03535	1.2
229.05031	1.0
241.00121	0.7
243.03043	3.1
245.04507	1.2
254.02080	0.6
255.02991	9.7
256.03528	1.0
262.56668	0.4
271.02463	20.6
272.02896	2.3
273.04126	1.1
283.02484	1.3
299.80957	0.4
300.02762	44.9
301.03519	44.1
302.03983	4.1
346.14304	0.7
361.16553	8.1
362.16916	0.7
391.27032	0.9
407.12750	0.5
433.07761	68.1
434.08105	10.6
437.10834	0.7
463.21304	0.6
479.17685	0.8
492.17218	0.5
523.22150	10.8
524.07294	2.1
524.21936	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	523.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84552	0.5
55.01878	0.8
57.03430	2.3
59.01381	21.5
61.98813	0.9
64.20792	0.5
66.08356	0.5
71.01379	6.3
72.99308	0.7
73.02945	2.2
75.00883	1.0
79.95742	6.2
80.96525	4.6
83.01389	0.8
85.02953	9.8
86.44915	0.6
87.00884	1.2
88.98809	0.8
89.02454	3.2
93.03466	1.0
95.95261	1.0
96.96018	100.0
97.02966	0.9
99.00882	1.1
99.92537	0.5
101.02447	3.9
103.00395	8.6
103.14554	0.5
108.02225	0.7
113.02456	2.6
115.03970	0.5
116.92878	0.9
119.05042	1.1
120.01265	0.8
121.02994	3.4
122.03760	1.5
122.97562	0.7
123.04532	1.1
129.01956	1.5
131.03497	1.3
133.02942	0.9
134.03754	0.9
135.04543	2.6
136.05319	4.8
137.02475	0.6
137.06142	0.7
138.97098	0.9
139.11285	2.9
143.03520	0.9
147.02965	1.0
149.02483	4.1
149.04543	1.4
149.06104	0.7
150.03242	17.5
150.97058	1.2
151.04042	3.9
151.07658	1.0
152.98639	1.9
155.10799	1.9
161.04642	0.7
163.03999	1.1
164.04800	1.9
164.98625	7.6
165.04164	0.9
165.05574	11.5
180.07964	1.0
180.98149	2.7
181.05057	3.2
181.12352	1.4
183.10281	4.3
191.01970	2.7
192.07794	0.5
193.05070	0.6
195.06618	12.4
195.08315	1.0
195.10289	0.9
198.12820	0.7
199.09901	0.7
199.13437	0.6
209.03221	0.5
222.99147	0.7
225.11316	0.7
241.00211	9.7
243.12332	6.9
281.09094	0.6
283.01181	0.7
283.09723	2.6
284.10434	0.7
311.09235	4.0
316.09653	0.7
325.30951	0.6
343.11847	25.5
344.12256	3.0
361.16696	3.3
375.16592	3.2
391.13889	23.9
392.14267	3.2
419.10092	2.4
430.36322	0.6
437.11234	84.0
438.11624	10.9
443.29593	0.5
463.21567	3.8
479.12286	44.8
480.06189	0.8
480.12518	5.2
481.14096	0.6
505.09744	0.7
512.84161	0.7
523.11316	54.0
523.19482	11.9
523.28125	2.3
524.11548	9.2
524.19659	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	522.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11500	0.2
61.98831	0.5
62.96402	0.3
63.71515	0.2
70.37040	0.3
70.37392	0.9
78.95909	43.5
88.98817	0.6
96.96021	0.4
96.96976	5.8
119.04623	0.2
150.98041	1.9
152.99611	100.0
153.99973	1.5
171.00670	4.1
247.46092	0.2
281.24823	1.3
401.95483	0.2
433.23715	0.5
435.25159	24.5
436.25507	4.1
522.28333	7.9
523.28467	1.8
548.60779	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.7
57.03449	1.2
59.01381	46.9
60.01708	1.0
61.98832	100.0
69.03456	0.8
71.01386	7.3
72.01724	0.4
72.99322	0.4
73.02940	2.1
75.00886	0.7
76.80738	0.3
79.95747	1.0
80.96523	0.4
83.01406	1.3
83.05086	0.3
85.02966	6.8
86.03306	0.4
87.00878	1.0
88.62045	0.3
88.98805	0.5
89.02463	2.4
90.02764	0.3
95.01403	0.6
95.95228	0.6
96.96023	9.5
97.02967	0.3
99.00916	1.5
101.02456	5.8
101.17840	0.3
102.02802	0.4
109.02956	0.5
111.00856	0.8
113.02461	3.0
114.02816	0.4
114.63952	0.3
119.03490	1.0
119.05022	0.4
120.01273	0.4
129.01939	0.5
135.04523	0.7
136.72144	0.3
147.02995	0.3
148.32820	0.3
149.02362	0.4
152.54410	0.3
153.01918	0.4
153.11456	0.3
154.02180	0.3
159.02916	0.6
160.01697	0.3
161.04591	1.4
170.25217	0.3
175.02466	0.3
180.97992	0.4
191.01889	1.1
241.00117	0.9
255.04933	0.4
271.02234	0.4
355.20871	0.4
359.27805	0.4
360.28067	0.9
361.29202	0.5
373.22189	2.5
374.22122	0.5
415.23364	5.7
416.23190	0.9
431.26154	0.5
443.22629	0.4
449.27243	0.5
461.30582	0.6
462.31506	2.0
480.32275	0.7
521.33246	1.5
522.15356	0.4
522.20837	0.5
522.33667	5.9
523.18103	2.3
523.35010	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	522.219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.4
57.03442	1.0
58.00594	0.3
59.01381	35.6
60.01721	0.8
61.98831	100.0
68.39684	0.2
69.03451	0.3
71.01385	7.0
71.73203	0.2
72.99301	0.6
73.02958	1.8
75.00882	0.9
79.95738	0.8
83.01396	0.9
85.02442	0.4
85.02959	7.6
86.03301	0.8
87.00872	0.7
88.98804	0.6
89.02457	2.5
95.01383	0.4
95.95228	0.6
96.96022	8.1
97.02966	0.4
99.00883	1.1
99.04512	0.2
101.02458	4.0
102.02775	0.5
103.00450	0.2
104.23832	0.2
108.02228	0.2
109.02941	0.5
111.00887	0.4
113.01839	0.3
113.02472	3.3
119.03445	0.6
119.04951	0.2
125.02485	0.3
129.01891	0.9
130.02333	0.2
135.04518	0.3
138.97054	0.4
145.02907	0.3
147.02910	0.5
150.97041	0.3
153.01884	0.5
155.10774	0.3
159.02914	0.3
160.03990	0.2
161.04549	1.2
163.03944	0.3
173.00928	0.2
179.10706	0.4
191.01976	1.8
236.64165	0.2
240.99969	0.9
249.05991	0.4
267.07071	0.3
273.20566	1.5
359.27530	0.7
360.28290	1.1
361.28860	0.3
373.22244	3.7
373.26102	0.5
374.26318	1.3
375.26755	0.4
390.25394	0.3
415.23434	3.7
416.22952	0.6
521.33069	1.4
522.08606	0.4
522.20465	0.3
522.32385	5.3
523.19293	1.2
523.26990	2.3
523.33789	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.4
57.03442	1.0
58.00594	0.3
59.01381	35.6
60.01721	0.8
61.98831	100.0
68.39684	0.2
69.03451	0.3
71.01385	7.0
71.73203	0.2
72.99301	0.6
73.02958	1.8
75.00882	0.9
79.95738	0.8
83.01396	0.9
85.02442	0.4
85.02959	7.6
86.03301	0.8
87.00872	0.7
88.98804	0.6
89.02457	2.5
95.01383	0.4
95.95228	0.6
96.96022	8.1
97.02966	0.4
99.00883	1.1
99.04512	0.2
101.02458	4.0
102.02775	0.5
103.00450	0.2
104.23832	0.2
108.02228	0.2
109.02941	0.5
111.00887	0.4
113.01839	0.3
113.02472	3.3
119.03445	0.6
119.04951	0.2
125.02485	0.3
129.01891	0.9
130.02333	0.2
135.04518	0.3
138.97054	0.4
145.02907	0.3
147.02910	0.5
150.97041	0.3
153.01884	0.5
155.10774	0.3
159.02914	0.3
160.03990	0.2
161.04549	1.2
163.03944	0.3
173.00928	0.2
179.10706	0.4
191.01976	1.8
236.64165	0.2
240.99969	0.9
249.05991	0.4
267.07071	0.3
273.20566	1.5
359.27530	0.7
360.28290	1.1
361.28860	0.3
373.22244	3.7
373.26102	0.5
374.26318	1.3
375.26755	0.4
390.25394	0.3
415.23434	3.7
416.22952	0.6
521.33069	1.4
522.08606	0.4
522.20465	0.3
522.32385	5.3
523.19293	1.2
523.26990	2.3
523.33789	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.8
59.01377	16.0
61.98831	100.0
63.87225	0.3
69.75531	2.0
71.01385	3.6
73.02945	4.9
83.01405	1.1
85.02965	2.2
89.02458	1.2
96.96017	4.1
98.19945	0.6
98.95606	0.3
101.02459	4.8
104.93670	0.3
113.02439	2.1
115.36439	0.3
119.03533	0.7
131.03554	0.7
143.03537	0.8
149.04610	1.2
161.04599	2.4
219.98538	0.3
221.06689	0.6
229.96658	0.3
241.00320	1.1
372.15414	0.7
390.25885	0.8
391.27222	1.3
522.16333	0.7
522.30170	0.6
523.12085	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18754	0.3
57.03452	1.0
59.01380	25.1
60.01723	0.4
61.98831	100.0
62.67765	0.3
65.52119	0.3
69.03436	0.4
70.42041	0.3
71.01395	3.4
72.99307	0.5
73.02960	2.0
73.55875	0.4
73.70963	0.4
79.95716	0.4
80.96498	0.5
83.01403	0.7
85.02964	5.7
87.00930	0.5
88.98822	2.8
89.02438	2.2
91.64281	0.3
96.96028	5.5
97.03017	0.3
101.02444	2.7
103.00456	0.4
111.00921	0.3
111.04639	0.4
113.02470	1.2
119.03562	0.7
129.01970	0.4
147.03030	1.0
149.04628	0.8
161.02292	0.3
161.04613	1.1
164.98650	0.3
171.10240	0.8
177.05792	0.3
177.76996	0.4
179.05763	0.6
183.02934	0.3
185.11864	0.5
191.02020	1.6
191.03522	0.5
215.12970	0.6
221.06720	0.4
241.00180	0.5
263.08218	2.7
264.08881	0.7
265.10074	0.5
276.09000	0.5
277.09937	1.3
278.10629	0.6
291.07776	5.9
291.10806	0.5
292.08337	0.4
304.08316	0.3
305.09360	0.9
306.10110	7.7
306.13455	0.5
307.10703	1.2
342.10834	0.5
350.09036	7.5
351.09579	0.8
372.15436	1.1
373.26221	0.6
376.98822	0.4
389.25464	0.8
390.25757	2.4
391.27032	9.3
415.23526	1.3
432.18701	0.5
446.17496	1.4
490.16162	8.0
491.16476	1.8
522.19000	2.1
522.29456	0.6
522.34473	0.6
523.18481	3.9
523.30774	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	521.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66178	0.2
59.01384	0.2
61.98831	100.0
62.99272	0.2
71.57125	0.2
71.57459	0.2
78.72814	0.2
78.95903	1.2
87.93935	0.2
96.96033	0.3
99.92605	0.3
110.98511	0.3
115.92081	0.3
116.92884	0.3
136.07722	0.9
152.99544	0.2
179.89227	0.4
180.06668	1.9
185.02226	0.3
193.90834	0.5
196.89467	1.3
204.75174	0.2
250.94264	0.3
253.21838	0.2
266.93674	0.2
330.24335	0.2
384.75482	0.2
521.16248	1.3
522.16016	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.8
55.33973	0.7
57.03447	3.9
59.01375	12.2
60.01704	0.8
60.99318	1.4
71.01373	3.4
71.72902	1.4
73.02950	1.8
75.00869	1.2
79.95764	1.1
80.05067	6.5
82.74471	0.7
85.02956	22.7
85.65383	0.7
87.00866	1.1
88.04057	1.7
88.98811	8.7
89.02449	0.9
92.05030	0.8
93.03445	0.9
95.01376	0.9
96.96030	9.3
98.95585	1.0
101.02438	0.8
104.05066	11.0
106.06641	16.7
107.06954	1.2
108.08216	6.4
111.00880	1.9
120.04557	3.8
122.06142	9.4
129.01941	2.8
132.04561	16.5
132.08211	2.0
134.06133	10.5
134.09790	3.7
140.28200	0.7
147.02977	3.8
148.04060	93.8
149.04381	5.7
151.00446	0.9
152.07181	11.7
153.07544	1.0
165.04297	0.9
166.05104	43.9
167.05421	1.9
168.06982	1.5
176.03558	1.8
177.59297	0.8
178.05130	10.0
179.05518	0.8
183.09303	4.8
183.13956	1.3
191.01950	10.7
192.03053	1.7
194.08128	1.1
197.10916	0.9
199.12488	4.0
205.03537	0.9
206.15652	0.7
209.11810	0.8
210.04141	3.6
210.07979	0.9
211.08664	1.5
212.10818	1.6
213.10312	6.1
223.08745	1.5
224.09512	4.1
225.10336	6.8
225.14940	1.5
226.10785	1.4
226.15234	2.3
234.04073	0.9
239.08212	1.0
239.11890	7.6
240.12215	0.9
241.00125	2.2
241.13400	2.3
255.07942	1.3
257.12900	1.2
265.09879	1.1
267.11343	2.5
271.02313	1.5
271.08405	0.9
281.09235	1.1
283.10779	5.4
285.12317	6.3
286.12598	1.0
287.14847	1.0
291.07770	1.6
299.10657	0.8
300.02881	4.3
301.03534	5.1
301.11975	4.6
306.10089	2.3
309.08694	1.2
309.12283	1.2
311.10345	2.3
325.07883	0.9
327.09882	31.8
327.13354	2.0
328.10172	3.0
329.11438	10.5
330.11911	0.9
330.16348	0.9
345.10916	55.3
346.11212	7.4
350.09055	2.4
353.11447	3.0
358.12042	1.7
371.12433	4.4
376.12897	1.1
391.26743	1.6
433.07666	9.0
442.13538	1.3
460.15097	12.9
461.15497	2.7
478.16022	25.0
479.16931	4.9
486.12888	2.0
490.16238	3.5
504.14063	27.6
505.14423	6.8
522.15088	100.0
523.15259	21.8
523.27075	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.0
57.03447	3.3
58.00584	1.5
59.01380	100.0
59.98537	0.8
60.01714	1.2
61.98834	10.4
69.03442	2.8
71.01386	62.3
71.74000	1.7
72.01711	1.2
72.99305	3.4
73.02957	9.5
75.00861	1.5
79.95751	0.8
81.03452	1.7
81.82770	0.7
83.01399	3.8
85.02966	13.6
87.00880	3.6
88.98825	1.2
89.02453	73.9
90.02746	1.1
95.01383	1.8
96.96017	9.1
97.02937	5.0
98.95677	0.8
99.00891	1.2
99.04534	2.2
101.02457	21.8
109.02963	1.7
111.00882	2.8
113.02465	13.6
119.03509	3.8
125.02462	18.4
130.62920	0.7
131.03523	23.2
134.03761	2.0
135.04536	1.6
143.03477	2.5
145.35860	0.8
149.04579	35.7
150.04881	1.2
153.01845	1.0
153.05574	2.1
161.04558	2.1
167.10793	81.6
168.11128	4.6
178.02702	1.5
191.02007	0.9
191.05612	11.0
193.05055	3.6
233.06616	3.7
284.30716	0.8
293.08789	55.8
294.09109	5.5
317.26990	1.2
359.27991	1.8
386.02521	0.9
461.20212	3.0
461.31213	13.8
462.31421	2.7
477.26553	1.0
479.32309	5.9
521.15424	1.0
521.21295	1.3
521.26166	1.2
521.33356	19.0
522.33777	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	521.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01839	1.3
57.03409	1.5
58.00566	1.6
58.55048	0.4
59.01379	38.6
60.01714	0.7
61.98787	0.7
65.07086	0.4
69.03431	0.7
71.01385	21.5
71.73314	0.7
72.99279	1.3
73.02958	3.6
75.00838	1.5
79.95696	0.8
80.96500	0.4
83.01397	2.5
85.02957	9.2
87.00850	1.8
89.02448	15.0
93.03455	0.7
95.01367	0.5
95.95226	0.6
96.95458	0.5
96.96020	6.6
101.02448	3.8
109.02983	0.6
111.00863	0.9
111.99644	0.4
113.01748	0.4
113.02466	3.1
121.02924	2.4
123.00867	1.2
123.04551	0.9
124.01681	3.2
125.02397	1.4
129.02005	0.7
131.03473	1.2
135.04523	0.5
138.03203	1.4
138.37651	0.4
139.00357	0.9
139.04033	5.8
144.05772	0.5
145.02963	1.6
148.03990	1.3
149.04584	0.6
149.06078	0.4
153.05624	2.3
159.04492	1.3
160.04002	0.5
161.02473	0.7
161.06100	0.5
165.03993	1.3
165.05437	0.6
165.41600	0.4
166.05052	1.0
172.05321	2.7
173.06100	3.3
187.04018	0.6
187.07635	3.5
189.05576	1.3
191.01886	1.4
191.07106	0.8
202.06311	0.5
203.07025	1.1
205.08676	0.9
209.11807	0.5
225.14986	7.0
226.15163	0.6
227.12917	0.5
233.08109	0.6
239.06941	0.5
253.05048	1.1
256.03766	2.7
257.04462	1.2
267.06720	0.5
268.03839	0.9
268.07315	0.9
269.04474	0.7
269.08054	0.5
269.13876	1.3
271.06158	2.9
278.05875	0.7
279.06558	2.7
283.06107	2.8
283.09454	0.7
285.07541	1.0
295.06107	3.2
295.09009	0.6
296.06961	2.4
297.07684	2.2
298.08408	2.7
299.09195	1.0
300.10239	0.7
309.07669	1.7
310.08340	2.1
311.09094	4.3
312.09833	0.7
313.07367	1.0
313.10962	1.5
314.07953	0.7
316.09595	0.7
325.10727	5.5
326.07913	4.5
326.11554	2.3
327.08771	1.4
328.09634	2.3
329.10333	3.0
329.16013	3.4
341.10321	13.1
341.13980	0.7
342.10706	2.2
343.11908	7.3
344.08859	1.3
344.12582	0.9
345.10452	0.5
355.12003	1.1
356.12631	7.5
357.13174	1.4
359.11325	17.7
360.11810	2.5
371.14948	10.9
372.15137	1.3
373.12552	0.9
374.13702	25.8
375.13885	3.1
389.16040	67.2
390.16348	8.6
431.06500	0.6
435.09839	0.8
473.14468	1.0
477.19827	1.4
478.08398	0.5
491.15179	0.5
506.17896	1.2
521.20264	100.0
522.20728	16.2
522.28534	0.9
526.23999	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01568	0.6
57.03457	1.1
58.00623	1.8
58.49080	0.6
59.01375	9.8
61.98866	2.5
68.76866	0.6
69.65876	1.8
69.66286	4.6
71.01383	8.1
73.02943	3.8
75.00908	2.0
79.95772	1.4
83.01394	0.7
85.02957	9.9
87.00940	2.6
89.02497	3.0
90.19974	0.8
96.96019	16.6
96.96581	1.1
98.95693	1.0
101.02454	3.7
103.00450	0.9
105.60911	0.7
108.02216	1.5
109.02998	1.0
111.00879	1.1
113.02467	3.5
115.00443	0.9
116.01004	0.7
119.05107	1.0
120.01253	9.9
121.03000	1.6
122.06133	4.5
123.04565	1.1
128.03592	2.0
129.02016	2.0
131.03610	0.8
132.04605	1.5
134.03831	2.7
135.04585	1.3
137.02492	0.8
138.97104	0.8
144.04616	2.7
146.06169	3.5
147.03235	1.4
148.04138	2.1
149.02510	2.3
149.04637	2.0
149.06122	1.1
150.03310	2.5
150.05630	1.3
151.03935	0.8
152.01326	0.9
152.07269	0.8
160.04057	5.5
161.04747	2.1
162.05640	1.5
163.04106	1.0
165.05647	2.5
166.05045	0.8
172.04070	4.9
173.04750	1.4
174.05667	3.3
176.03528	0.9
176.07240	2.4
178.02718	1.0
178.05171	1.1
188.07269	0.9
189.02165	0.8
190.05164	2.8
191.01994	2.5
191.03601	4.6
192.06773	0.9
193.05122	3.3
195.06641	2.2
202.05205	2.3
203.03694	1.1
203.05873	1.6
204.06654	10.9
205.07436	2.1
209.03122	1.9
209.06427	0.7
211.74657	0.7
218.04659	1.0
224.07237	0.9
225.13904	1.0
226.12245	0.9
229.13493	1.3
230.04605	1.6
231.05383	2.0
232.06161	2.4
233.06787	0.9
237.10287	1.8
238.08946	0.8
238.11223	2.9
239.08162	0.9
239.11960	1.9
241.00214	4.2
241.09868	2.1
248.05603	4.9
249.06203	1.4
251.12074	1.9
253.06197	1.2
253.09828	1.5
253.13449	7.9
254.11819	0.9
255.11412	1.7
260.05594	0.8
262.07260	2.7
263.08139	2.5
266.06528	1.5
267.07626	3.9
267.11328	1.4
268.08429	2.3
269.09290	2.1
269.12979	3.2
271.06323	1.1
271.15271	0.8
272.06796	1.0
273.07773	1.3
279.11441	1.0
280.08572	1.5
281.09348	4.5
281.13062	0.8
282.09988	2.5
283.01273	1.9
283.10956	4.7
287.14194	1.3
295.10941	5.4
296.11533	3.3
297.12439	26.8
298.12885	1.6
309.08585	1.2
311.10544	1.3
311.14072	3.7
315.08746	20.4
315.12457	1.0
316.08994	1.7
323.10452	1.5
324.11087	0.8
325.11890	7.4
327.09799	2.5
327.13452	1.5
329.15088	1.6
337.11996	2.6
339.13507	1.5
341.10822	2.2
345.11005	1.1
353.11411	2.2
355.12979	37.9
356.13245	5.5
363.09897	1.0
365.11273	1.2
367.13110	4.3
369.10791	1.3
381.10977	2.8
387.15738	3.3
391.13187	1.2
399.11972	14.1
400.12100	2.0
400.39838	0.8
401.13443	8.5
402.13879	1.9
411.11990	1.2
413.13467	1.6
431.14587	100.0
432.14853	14.7
443.14566	9.6
444.15033	1.7
461.15594	13.2
461.21246	0.5
462.16238	1.3
467.14560	3.4
473.15347	0.9
478.16037	1.0
485.15625	7.1
486.15820	1.3
503.16647	3.8
521.17725	56.3
522.18402	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	521.2027
Annotation	Lariciresinol-9-O-beta-D-glucoside
Peak:m/z	Relative Intensity
53.81074	0.3
55.01907	1.2
57.03447	1.8
57.13702	0.3
59.01382	29.7
61.61550	0.3
61.98841	0.5
68.57200	0.3
71.01387	21.6
71.06217	0.3
72.99313	2.0
73.02939	2.1
75.00896	0.6
79.95750	0.5
81.25762	0.3
83.01404	1.7
85.02961	7.5
85.03426	0.5
87.00875	1.7
89.02457	14.4
93.03488	0.7
95.01408	0.6
96.96022	4.6
98.95670	0.4
99.00930	0.9
101.02460	2.3
109.03047	0.6
111.00932	0.8
113.02443	1.8
119.03571	0.4
121.02969	2.8
122.03815	0.6
123.00874	0.7
123.04589	0.4
124.01678	2.6
125.02539	1.1
127.00414	0.3
129.02019	0.9
131.03566	1.1
134.03772	3.8
135.04575	0.6
136.01746	0.3
137.02524	1.1
138.03290	1.2
139.04034	4.5
144.05824	0.4
145.02997	0.5
149.02480	2.3
149.04637	0.8
149.06158	1.1
150.03239	3.8
151.04022	1.2
153.05595	1.9
153.09242	0.3
159.04489	1.7
160.05373	0.8
161.06247	0.5
164.04855	0.6
165.04195	0.4
165.05568	3.7
166.06012	0.8
171.04521	0.5
172.05322	2.8
173.06076	2.5
175.07703	0.8
178.02762	1.3
180.06543	0.3
181.05081	1.3
187.07654	3.6
189.05630	1.2
190.06451	0.7
191.02045	1.0
191.07185	1.4
193.05064	4.9
194.08272	0.4
195.06749	1.5
195.08440	0.4
203.07178	0.9
205.08710	0.8
217.08813	0.6
225.11394	0.4
225.15126	0.6
239.03329	0.3
239.06990	0.3
240.04135	0.4
251.07201	0.6
253.05000	1.7
253.08786	0.5
255.06673	0.7
256.03720	3.5
257.04553	1.1
267.06668	0.7
268.03790	1.0
269.08249	0.9
270.05392	0.5
271.06058	3.4
272.06583	0.5
274.08484	0.4
277.05014	0.7
278.05875	0.7
279.06680	2.1
280.07336	0.8
281.04675	0.5
281.08109	0.6
282.05707	0.4
282.08905	0.6
283.06149	3.0
285.07669	0.6
295.06021	2.1
296.06784	1.9
297.07675	2.1
298.08408	2.7
299.09119	0.4
300.09900	0.5
308.07007	0.4
309.07919	1.0
310.08456	1.9
311.09290	3.1
312.09796	0.8
313.07468	0.6
313.10883	1.4
314.07843	0.8
314.11600	0.4
315.08929	0.3
316.09521	0.9
317.10214	0.4
323.09473	0.4
325.10773	4.6
326.07977	3.7
326.11584	2.3
327.08810	1.0
327.12277	0.6
328.09293	1.9
329.10281	2.8
329.14029	2.8
339.12631	0.5
341.10352	13.5
341.13983	1.0
342.10342	1.9
343.11478	4.7
344.09021	1.4
344.12558	0.6
355.11877	0.7
356.12650	7.5
357.13202	1.5
359.11356	14.8
360.11765	2.3
361.12836	0.6
371.15039	10.9
372.15424	1.5
373.12921	0.7
374.09766	0.3
374.13712	23.3
375.14056	3.6
389.16138	60.5
390.16446	9.1
391.15906	1.3
489.11111	0.6
506.17795	1.8
521.20270	100.0
522.20673	18.3
522.27020	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.2
62.96419	0.2
70.26023	0.7
74.90974	0.1
78.95908	42.5
96.96973	5.3
150.98024	1.7
152.99600	100.0
153.99928	1.6
171.00659	4.1
222.65796	0.2
240.02681	0.3
279.23334	1.1
397.69189	0.2
433.23590	23.7
434.23907	3.8
437.42014	0.2
520.26764	6.5
521.27081	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.385
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
63.65221	1.4
70.67732	3.3
70.76969	1.4
89.51233	1.3
91.27940	1.2
101.68216	1.5
182.34312	1.3
184.10728	1.4
242.84206	1.6
476.54819	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89603	0.7
61.98829	100.0
67.64856	0.6
71.62983	1.3
96.99603	0.5
109.08482	0.8
110.44992	0.6
262.23242	0.7
343.89789	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94866	0.2
55.01868	0.3
55.57640	0.2
56.09634	0.2
57.03453	1.4
59.01376	4.4
60.93525	0.3
60.99307	13.8
61.98830	2.8
68.67873	0.2
69.03442	0.4
69.76889	1.6
71.01390	2.2
72.99289	0.3
73.02938	0.7
75.00864	0.5
78.95902	0.5
79.95739	0.3
83.01386	0.3
83.04993	0.2
85.02956	6.3
86.03306	0.5
87.00876	0.6
87.04521	0.5
88.98813	100.0
89.02450	0.7
89.99156	1.2
96.96028	3.4
97.02944	0.2
97.06608	0.6
98.20152	0.7
98.95605	0.3
99.00877	0.3
99.04535	0.3
101.02458	1.0
103.11530	0.2
111.00880	0.6
113.02461	0.8
115.00373	0.4
119.03520	0.3
119.05022	0.4
123.03696	0.2
123.08166	0.2
125.02473	0.3
125.09719	0.4
129.01962	0.9
131.03491	0.3
135.04564	0.4
137.02411	0.3
147.02994	1.1
157.08777	0.4
161.04622	0.3
161.63104	0.2
163.04034	0.3
167.10724	0.2
169.12239	0.3
171.10301	1.5
183.10213	0.2
185.11894	0.3
191.02002	2.1
191.03476	0.4
192.02315	0.3
201.11322	0.5
209.02969	0.3
215.12971	0.4
227.03470	0.8
241.00261	0.5
255.02957	0.9
263.08368	0.7
270.09000	0.3
278.10730	0.3
284.03445	1.1
285.04004	0.9
285.11240	0.2
291.07761	2.1
301.20197	0.3
305.09262	0.5
306.10110	2.5
329.22928	0.3
341.10309	0.9
350.09055	2.2
356.12854	0.3
359.28058	0.3
371.15030	1.1
371.24323	0.6
373.25970	0.7
375.12921	0.4
387.23901	0.3
388.24048	0.3
389.25439	13.1
390.25851	1.0
406.15402	0.2
428.16287	0.2
431.09830	1.5
432.10162	0.3
446.17502	0.5
478.20071	0.3
490.16168	3.1
503.32074	0.3
520.20306	0.3
521.19995	1.1
521.29559	3.2
522.18945	0.9
522.29633	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24327	0.5
55.98658	0.4
57.03440	0.7
59.01378	8.4
65.13764	0.4
69.03442	0.5
71.01388	5.1
71.71217	0.8
72.99297	1.7
73.02953	1.2
75.00877	13.1
78.98582	0.5
81.03455	1.5
83.01391	2.1
85.02953	10.6
87.00894	2.2
89.02450	5.9
96.96967	1.0
97.02952	2.3
99.00877	1.5
99.04539	0.9
101.02443	1.2
105.01974	0.8
113.02463	0.5
125.02431	0.5
131.03488	4.8
143.03517	3.1
149.04558	1.8
161.04573	14.2
165.04048	0.5
177.00443	0.4
179.05618	100.0
180.05952	3.4
191.01888	0.5
368.76630	0.7
453.62344	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.2
61.98824	1.4
62.96394	0.3
68.36996	0.2
70.60072	0.7
74.94109	0.2
78.95908	45.0
88.98869	0.2
94.36451	0.2
96.95991	0.4
96.96967	5.7
113.37855	0.2
150.98044	1.7
152.99602	100.0
153.99950	1.7
171.00644	4.1
240.02773	0.3
242.83020	0.2
276.84091	0.2
279.23273	1.1
280.23520	0.3
293.84656	0.2
362.25415	0.2
418.77670	0.2
433.23602	25.2
434.23911	3.7
501.72903	0.2
520.26776	7.0
521.27051	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	520.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20091	0.7
54.37204	1.1
57.03440	1.9
58.02972	13.1
59.01095	1.6
59.01377	26.0
61.98829	40.1
66.03495	1.5
70.02972	1.1
71.01383	9.1
71.73083	1.4
72.00912	1.0
72.99316	1.4
73.02953	8.0
74.02476	24.6
78.95932	0.9
79.95737	1.8
81.04617	1.9
82.02988	2.6
83.01373	1.6
84.04590	1.2
85.02461	0.9
85.02959	13.8
85.04073	0.9
86.02479	10.3
86.06094	1.6
87.00877	1.4
87.05661	4.4
88.04065	0.9
89.02462	2.2
91.96880	0.8
95.01413	1.0
95.95195	0.8
96.04543	1.1
96.96021	19.0
97.02938	0.9
97.04092	3.2
99.00893	0.9
99.05649	19.5
101.02448	5.3
101.07215	3.7
102.05627	3.6
109.02959	1.0
109.04086	5.0
110.02541	1.0
110.06116	0.9
111.05659	2.4
112.04060	1.8
113.02486	3.9
113.07268	0.8
119.05016	1.0
123.04600	0.8
123.05633	1.7
123.08118	1.0
124.04060	1.2
125.03564	2.7
126.01953	1.1
126.04350	1.5
127.05185	3.9
128.03549	55.5
129.01939	2.0
129.03891	1.5
134.03741	0.9
135.05669	6.6
137.02481	1.0
137.07245	1.1
141.06735	4.1
143.04633	70.4
144.04991	2.1
145.06207	2.9
146.04590	8.0
149.04564	1.0
149.07205	1.0
150.19763	0.8
152.29813	0.7
153.06700	4.7
155.08266	1.3
161.02478	1.0
161.04596	0.9
163.04022	0.9
166.09874	4.2
167.04623	4.0
167.08293	5.9
170.03317	1.8
171.04024	1.2
171.10216	1.3
179.03215	2.0
179.04631	18.7
179.06071	1.3
181.06200	2.7
185.05605	1.9
185.11809	1.1
188.58934	0.9
191.01993	3.4
192.07831	3.1
195.13914	1.5
197.05669	2.6
210.08839	17.1
210.10739	1.2
213.14972	6.9
225.11317	1.5
226.11780	1.1
228.09853	0.9
228.27167	0.9
236.07045	1.0
241.00264	5.7
241.38509	0.9
247.13716	8.9
248.13844	0.9
254.07794	32.5
255.08238	1.7
256.99741	0.8
272.08844	53.1
273.09167	4.3
278.88568	0.9
283.01227	1.0
315.04666	1.3
327.00253	1.6
388.24283	1.3
389.25449	14.9
391.19064	8.3
392.19495	1.2
453.17676	0.9
502.22220	13.6
503.22437	2.7
520.23297	100.0
521.06012	1.1
521.16522	3.2
521.23584	16.5
521.30743	3.3
538.61945	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38860	0.3
55.01869	0.8
57.03448	1.6
58.00606	0.7
59.01379	52.0
60.01719	1.3
61.98830	100.0
69.03458	0.6
71.01389	13.6
72.01736	0.7
72.99329	0.8
73.02946	3.2
75.00890	1.2
78.95924	0.3
79.95752	0.9
83.00243	0.3
83.01411	1.8
85.02957	8.7
86.03284	0.5
87.00886	1.2
87.04514	0.5
89.02452	5.7
90.02778	0.4
93.03483	0.4
95.01396	1.0
96.96021	9.2
97.02941	0.5
97.06623	0.5
98.20146	0.4
98.95589	0.4
99.00907	1.5
99.80025	0.3
101.02458	7.6
102.02814	0.3
108.04568	0.3
109.02903	0.6
111.00894	0.3
113.02453	5.1
116.92807	0.3
119.03513	2.5
119.05016	0.5
120.03825	0.4
129.01884	0.7
135.04546	0.4
137.09755	0.3
143.03540	0.4
145.02823	0.3
147.02939	0.6
149.02365	0.4
150.03137	0.4
152.01141	0.4
153.01883	0.7
159.03052	0.4
161.04619	2.0
163.04120	0.5
179.05554	0.9
185.11784	0.6
191.01889	1.3
191.17653	0.3
193.05048	0.4
239.12822	0.5
241.00060	1.2
256.99710	0.3
283.01160	0.8
301.19992	0.6
341.26935	0.3
355.24823	0.3
357.26385	2.2
358.26776	1.9
359.27805	2.6
371.20508	2.0
371.24277	1.0
372.24313	1.3
373.25983	5.5
388.24051	0.4
389.24994	1.0
399.23328	0.5
413.21619	3.1
435.25714	0.4
477.27069	1.5
503.31332	0.5
519.32037	3.5
520.15930	0.5
520.32446	6.9
521.12885	0.5
521.32233	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	520.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07978	0.1
50.27697	0.1
51.00767	0.1
55.01874	0.2
57.03461	0.8
58.00598	0.3
59.01379	19.7
60.01721	0.2
61.98831	100.0
62.98523	0.2
68.02539	0.7
69.03465	0.3
70.74989	0.5
71.01386	6.0
72.01719	0.2
72.99320	0.3
73.02953	7.9
75.00871	0.3
79.95741	0.2
83.01395	2.5
85.02963	3.6
86.03289	0.3
87.00884	0.5
88.98815	0.6
89.02448	1.7
95.01399	0.4
96.85212	0.1
96.96017	1.8
99.00879	0.3
101.02458	8.9
102.02805	0.3
113.01690	0.3
113.02459	3.7
115.47711	0.1
119.03534	1.1
119.05019	0.5
124.16279	0.1
125.02448	0.5
129.01952	0.4
131.03519	1.0
143.03493	1.0
147.02965	0.2
149.04573	1.7
155.03470	0.3
160.17735	0.1
161.04584	2.6
163.03995	0.2
167.03473	0.3
171.10364	0.3
191.00780	0.1
191.01994	1.3
192.02211	0.2
201.11325	0.3
203.05667	0.3
221.06575	0.8
241.00200	0.3
273.07660	0.7
301.20166	0.2
371.24039	0.2
388.24048	0.4
389.25400	1.4
460.26077	0.2
487.51535	0.2
520.20093	0.4
520.31927	0.4
521.29602	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.6
57.03453	2.1
58.00580	0.4
58.56885	0.2
59.01379	61.6
60.01715	0.8
61.98831	100.0
63.99258	0.3
67.08923	0.2
68.22089	0.3
69.03478	0.2
69.97805	0.2
70.88307	0.7
70.88675	0.3
71.01388	7.9
72.99316	0.9
73.02935	2.8
75.00866	0.6
79.95750	0.7
79.97507	0.2
80.96514	0.4
81.25780	0.3
83.01385	1.0
84.02203	0.3
85.02441	0.6
85.02959	10.4
86.03289	1.0
87.00897	1.0
87.04558	0.3
89.02454	5.3
94.83165	0.3
95.01383	0.5
96.95454	0.5
96.96027	6.5
98.20222	0.3
98.95570	0.3
99.00886	0.6
101.02460	5.4
108.04548	0.6
111.00848	0.8
113.02452	3.9
119.03507	2.0
128.46596	0.3
129.02000	1.5
131.03563	0.3
138.97108	0.2
143.03539	0.6
147.03008	1.3
149.04526	0.5
152.03416	0.4
155.93365	0.3
161.04555	1.6
170.73805	0.3
179.05496	0.9
191.00542	0.3
191.01973	4.4
192.02225	0.8
205.35625	0.3
209.02858	0.3
241.00111	0.8
259.87689	0.3
283.01376	1.4
353.19482	0.3
359.27521	1.1
371.20657	3.9
372.20731	0.6
373.25903	1.2
389.25061	0.8
404.93039	0.3
413.21808	6.9
414.21399	1.0
435.12607	0.3
503.24496	0.4
520.17517	0.4
520.24530	0.7
520.31348	0.4
521.19427	0.9
521.32275	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	520.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11915	0.3
57.03451	0.5
59.01380	26.9
60.01719	0.3
61.98833	100.0
62.98540	0.3
66.14981	0.2
68.94427	0.2
71.01389	4.0
71.06151	0.6
72.99329	0.3
73.02964	2.7
74.02490	0.3
79.95779	0.3
83.01409	0.9
85.02963	3.5
87.00891	0.3
89.02455	2.8
92.83559	0.2
95.01385	0.3
96.96023	7.2
101.02464	3.2
111.00920	0.3
113.02489	1.8
115.00366	0.2
117.07852	0.3
119.03545	1.0
119.05120	0.3
128.03571	0.3
129.01991	0.7
131.03529	0.5
143.03551	0.4
143.04601	0.3
149.04601	1.0
161.04613	0.9
176.79192	0.2
177.84953	0.3
179.05701	0.5
181.12292	0.3
191.02042	0.8
194.48372	0.3
204.29982	0.3
205.05173	0.2
220.07295	0.4
221.06676	0.3
225.11330	0.3
226.11671	0.3
241.00217	2.3
255.05165	0.3
278.95895	0.3
283.01285	1.1
301.20566	0.3
311.09369	0.5
327.00446	1.0
371.15085	2.2
371.20526	0.5
387.24075	0.3
388.24442	0.3
389.25375	3.7
390.71317	0.3
413.21817	0.9
435.06668	0.4
435.17899	0.3
453.18137	0.7
519.31995	0.4
520.13739	0.5
520.21429	0.5
520.32233	0.7
521.06195	0.4
521.17291	2.1
521.29578	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99058	0.5
57.03443	2.0
59.01377	8.7
61.98822	1.1
71.01392	4.4
71.49580	0.9
73.02956	2.2
74.02488	0.8
75.00891	1.0
79.95753	1.3
82.03006	0.7
83.01414	0.7
84.04549	7.7
85.02966	7.9
86.03310	0.9
87.00893	1.6
89.02452	2.4
93.03486	1.0
96.96018	15.5
99.00881	0.7
101.02477	3.6
102.05619	33.6
103.05967	0.6
108.02189	2.5
111.00888	1.0
113.02471	2.3
115.00394	1.9
117.01859	0.7
118.98092	0.8
119.05064	0.8
120.01276	0.8
121.02966	7.8
121.23764	0.5
122.03802	2.9
122.06141	1.0
123.00893	0.6
123.04532	3.7
124.01731	0.5
126.05594	1.2
128.03552	83.9
129.01950	1.4
129.03896	2.4
131.03510	0.9
132.04652	0.7
133.02960	1.3
134.03755	5.4
135.04541	5.6
136.05362	3.5
137.02443	0.8
145.02962	1.3
146.04613	17.5
147.03076	1.2
147.04883	0.6
149.02467	14.0
149.06053	6.6
150.03242	31.3
151.04031	7.7
160.04074	1.4
161.02486	1.2
161.04596	1.0
161.05975	0.9
162.03206	0.7
163.04027	3.0
164.04863	3.5
165.04156	1.2
165.05576	18.7
172.04025	0.6
174.05634	1.0
175.02527	2.6
177.05606	1.2
179.05797	1.0
180.04300	1.7
181.05032	2.0
191.01950	2.4
191.03532	1.5
193.05104	2.5
193.60381	0.5
194.08252	0.7
195.06618	10.8
196.06953	0.9
203.05862	0.7
204.06651	2.1
209.03069	0.9
220.09714	1.8
221.10478	0.8
222.11310	0.8
241.00336	2.9
248.09222	1.2
249.06073	0.9
253.13509	1.2
264.08817	2.6
267.07373	1.0
273.07489	1.3
279.11203	1.0
280.12012	1.7
281.09158	1.0
283.01532	1.6
283.09909	1.8
287.09250	0.7
295.10840	1.4
297.12405	4.1
311.09268	5.1
315.08759	8.0
317.10233	1.2
323.10129	6.8
325.11703	2.6
327.10147	0.8
329.10141	0.8
338.12564	3.8
339.13281	0.9
341.10330	1.7
343.11865	18.6
344.12375	3.5
355.13040	6.0
367.12933	0.9
373.13120	1.1
391.08902	1.2
391.13977	20.9
392.14139	2.7
396.13422	1.1
399.12009	1.4
401.13348	1.3
404.15292	0.7
428.17087	0.9
431.14594	14.9
443.13977	1.4
461.15494	2.1
467.14926	0.7
477.07037	2.1
484.16037	0.9
485.16006	2.1
502.17178	9.3
503.17148	2.4
520.18207	100.0
521.18420	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58989	0.3
58.50652	0.3
59.01396	0.3
61.98831	4.4
62.86828	0.3
69.56704	2.9
78.95911	49.7
85.02962	0.3
85.95245	0.3
94.99928	0.3
96.96026	0.7
96.96976	5.8
102.73992	0.3
111.59843	0.3
150.98055	1.3
152.99603	100.0
153.99951	2.6
161.48189	0.3
171.00681	3.7
222.96393	0.3
269.32373	0.3
431.22269	0.5
432.22382	2.5
519.27197	16.9
520.27783	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	519.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87898	8.8
53.63620	8.3
59.01379	67.5
61.98829	36.7
69.43445	100.0
78.91885	27.6
78.95913	32.0
79.65672	8.6
87.03129	9.0
96.96036	18.6
98.20609	15.5
152.99603	65.2
171.33821	8.8
189.16757	9.0
277.21887	9.7
341.27939	8.4
385.97556	9.5
459.36072	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	520.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99058	0.5
57.03443	2.0
59.01377	8.7
61.98822	1.1
71.01392	4.4
71.49580	0.9
73.02956	2.2
74.02488	0.8
75.00891	1.0
79.95753	1.3
82.03006	0.7
83.01414	0.7
84.04549	7.7
85.02966	7.9
86.03310	0.9
87.00893	1.6
89.02452	2.4
93.03486	1.0
96.96018	15.5
99.00881	0.7
101.02477	3.6
102.05619	33.6
103.05967	0.6
108.02189	2.5
111.00888	1.0
113.02471	2.3
115.00394	1.9
117.01859	0.7
118.98092	0.8
119.05064	0.8
120.01276	0.8
121.02966	7.8
121.23764	0.5
122.03802	2.9
122.06141	1.0
123.00893	0.6
123.04532	3.7
124.01731	0.5
126.05594	1.2
128.03552	83.9
129.01950	1.4
129.03896	2.4
131.03510	0.9
132.04652	0.7
133.02960	1.3
134.03755	5.4
135.04541	5.6
136.05362	3.5
137.02443	0.8
145.02962	1.3
146.04613	17.5
147.03076	1.2
147.04883	0.6
149.02467	14.0
149.06053	6.6
150.03242	31.3
151.04031	7.7
160.04074	1.4
161.02486	1.2
161.04596	1.0
161.05975	0.9
162.03206	0.7
163.04027	3.0
164.04863	3.5
165.04156	1.2
165.05576	18.7
172.04025	0.6
174.05634	1.0
175.02527	2.6
177.05606	1.2
179.05797	1.0
180.04300	1.7
181.05032	2.0
191.01950	2.4
191.03532	1.5
193.05104	2.5
193.60381	0.5
194.08252	0.7
195.06618	10.8
196.06953	0.9
203.05862	0.7
204.06651	2.1
209.03069	0.9
220.09714	1.8
221.10478	0.8
222.11310	0.8
241.00336	2.9
248.09222	1.2
249.06073	0.9
253.13509	1.2
264.08817	2.6
267.07373	1.0
273.07489	1.3
279.11203	1.0
280.12012	1.7
281.09158	1.0
283.01532	1.6
283.09909	1.8
287.09250	0.7
295.10840	1.4
297.12405	4.1
311.09268	5.1
315.08759	8.0
317.10233	1.2
323.10129	6.8
325.11703	2.6
327.10147	0.8
329.10141	0.8
338.12564	3.8
339.13281	0.9
341.10330	1.7
343.11865	18.6
344.12375	3.5
355.13040	6.0
367.12933	0.9
373.13120	1.1
391.08902	1.2
391.13977	20.9
392.14139	2.7
396.13422	1.1
399.12009	1.4
401.13348	1.3
404.15292	0.7
428.17087	0.9
431.14594	14.9
443.13977	1.4
461.15494	2.1
467.14926	0.7
477.07037	2.1
484.16037	0.9
485.16006	2.1
502.17178	9.3
503.17148	2.4
520.18207	100.0
521.18420	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70718	0.7
55.01875	2.5
57.03446	12.6
58.00583	1.4
58.03805	0.8
59.01379	85.5
60.01704	1.2
61.98818	3.1
66.82786	0.7
68.99815	1.0
69.03445	3.4
71.01388	36.1
71.72916	0.8
71.73260	0.8
72.99316	3.2
73.02953	27.9
75.00873	5.0
78.95905	10.0
79.95745	3.0
81.03452	1.1
83.01407	9.5
83.05060	0.9
84.02185	2.1
85.02959	100.0
86.03296	3.1
87.00883	5.8
87.04530	1.9
88.35714	0.8
89.02453	10.7
93.03477	2.2
95.01421	2.3
95.95236	1.0
96.96024	25.9
96.96933	4.7
97.02937	1.1
98.95601	1.0
99.00901	2.3
99.04559	1.1
99.98959	0.7
101.02460	31.1
102.02814	1.0
103.00363	1.9
103.04021	1.5
110.78634	0.7
111.00901	1.9
111.04608	0.9
113.02462	14.4
114.02804	0.8
115.00384	1.5
115.04047	1.0
119.03522	5.5
119.05051	2.5
120.01221	1.5
121.02988	1.5
123.04507	1.2
125.02474	3.4
129.01956	9.2
131.03505	4.7
131.34416	0.7
137.09726	1.7
139.11427	0.8
143.03535	5.0
145.05099	1.5
146.06258	0.9
147.03017	15.4
148.99045	1.0
149.03441	1.2
149.04576	5.7
150.03239	1.1
153.01958	0.9
155.10779	1.2
160.04079	1.4
161.04585	9.0
163.03966	1.0
163.06129	6.7
163.11391	0.8
165.04060	3.4
165.05389	1.2
173.00960	0.8
177.01950	0.9
177.24773	0.7
179.05609	1.2
179.10786	2.4
181.12399	1.0
191.01996	52.1
192.02402	2.0
197.09737	2.4
199.09836	1.0
203.05696	0.8
205.07227	2.1
209.03050	2.4
221.06680	1.9
223.13344	1.0
225.14926	1.0
232.64023	1.0
237.14902	1.6
239.10701	1.3
241.00226	2.1
249.06151	2.4
255.02808	1.1
256.99747	1.5
265.05475	1.0
266.06332	1.2
267.07184	1.6
268.07565	0.9
269.07703	0.8
269.13925	0.8
271.02521	2.2
300.02777	3.1
301.03125	3.7
301.10834	3.4
311.10312	1.2
343.07031	1.0
371.14026	1.9
375.16626	4.8
387.10855	1.0
387.16678	1.0
387.24051	1.8
394.59305	0.8
417.17709	3.2
439.10828	2.8
446.00864	0.9
447.09134	3.8
459.26331	1.4
475.17838	1.5
476.17258	0.9
501.23425	2.0
519.10321	1.6
519.20374	8.6
519.27405	9.7
520.20575	2.2
520.27612	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2265
Annotation	DEACETOXY(7)-7-OXOKHIVORINIC ACID
Peak:m/z	Relative Intensity
55.01863	0.5
55.92771	0.3
57.03442	1.2
59.01380	30.7
60.01712	0.3
61.01800	0.5
61.98832	3.7
69.03438	0.5
71.01382	4.2
71.73507	0.6
72.99313	0.5
73.02953	1.2
75.00880	0.5
79.95751	4.4
80.96527	1.1
83.01398	1.0
83.05020	0.4
85.02955	3.4
87.00909	0.9
89.02457	0.9
95.01426	0.4
95.95235	4.4
96.96023	66.4
99.00873	1.0
101.02459	2.5
109.33218	0.3
111.00867	0.5
113.02468	1.3
122.97596	1.1
129.01915	0.4
129.57211	0.3
138.97060	2.0
143.03516	0.4
150.97113	1.3
161.04562	0.6
164.98688	0.6
177.04059	1.3
180.98193	0.6
188.43596	0.4
191.02013	0.4
191.03494	1.6
198.99231	0.7
216.36095	0.3
222.99115	0.4
225.00761	0.9
229.16022	0.5
241.00237	3.3
256.99765	2.7
315.25180	0.5
327.08096	0.5
327.25549	0.4
337.77542	0.3
351.83670	0.3
357.26501	0.7
459.30005	2.4
475.25659	0.6
477.30783	1.7
487.20560	0.4
503.19559	0.9
519.22717	100.0
520.23016	17.6
520.29962	0.6
533.06030	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.6
55.79234	0.6
57.03446	12.2
58.00577	0.7
59.01096	1.0
59.01380	19.5
61.98840	1.0
67.01878	0.8
68.99813	1.7
69.03439	0.6
69.89753	3.2
69.90173	1.0
71.01387	13.5
72.99311	4.0
73.02954	1.9
73.25645	0.7
74.02479	0.6
75.00875	10.3
79.95718	0.8
80.96553	0.6
83.01389	4.4
84.02168	2.3
85.02957	100.0
86.03299	2.2
87.00888	4.0
89.02464	5.4
93.03465	16.0
95.01398	2.2
96.61929	0.6
96.96022	14.6
96.99323	2.8
98.19918	1.2
99.00888	5.4
101.02443	3.4
103.00357	2.9
108.02193	0.6
111.00900	7.9
113.02459	9.3
115.00397	3.3
117.01946	1.0
117.03470	1.0
119.05036	14.7
121.02985	2.7
123.04553	2.8
128.03558	1.7
129.01952	16.7
131.05052	3.4
133.01469	0.8
133.02972	3.7
134.03743	1.0
135.04547	3.3
136.05325	6.1
143.05060	13.6
144.05409	1.0
145.01579	0.8
145.02940	2.3
145.09865	0.8
147.03024	16.7
149.02403	0.6
149.04611	1.3
149.06041	1.2
150.03299	0.9
151.04059	0.8
151.07649	2.5
159.04478	0.7
163.04008	8.2
165.05566	0.7
171.04546	1.8
172.09795	0.9
173.00908	2.4
175.02541	1.2
177.05611	1.0
181.05029	1.6
191.01984	57.9
192.02359	2.4
195.04797	1.2
195.06631	24.8
196.06992	1.6
203.03587	0.8
209.03029	16.9
210.03410	1.2
211.07652	4.4
212.08064	0.6
219.08163	0.9
221.09740	1.0
223.07674	0.8
231.05083	0.7
235.07661	2.3
237.09244	4.5
239.10765	1.0
241.00092	0.7
249.06161	9.1
250.06459	0.8
265.08655	15.7
266.08942	1.7
267.07248	2.8
269.10223	8.2
270.10611	0.9
283.01523	0.7
283.09705	0.7
309.07690	4.4
327.08737	85.2
328.09021	9.4
329.12042	0.9
347.09006	1.7
348.08923	0.7
403.09399	0.8
439.10605	2.8
501.16061	1.2
519.17267	45.3
520.10773	0.6
520.17700	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.252
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35131	0.2
59.94154	0.2
61.98834	1.0
65.14771	0.2
71.49863	0.4
78.95908	45.4
84.82259	0.2
96.96979	5.8
147.45825	0.2
150.98041	1.9
152.99605	100.0
153.99976	1.9
156.15186	0.2
171.00665	4.6
219.18137	0.2
277.21631	0.9
278.22327	0.2
431.22021	25.4
432.22348	3.9
518.25214	5.5
518.31104	0.1
519.26080	1.1
530.79303	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05670	0.3
59.01373	0.9
61.98829	1.6
62.96435	0.6
66.52806	0.4
69.55154	0.7
69.55553	3.3
75.13996	0.4
77.72302	0.4
78.95911	67.8
79.13786	0.4
96.96001	0.7
96.96976	6.4
145.14050	0.5
150.98045	1.8
152.99608	100.0
153.99918	1.7
171.00665	2.9
277.21790	1.7
431.22031	41.6
432.22318	5.8
518.25317	5.6
519.26581	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	518.252
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92327	0.1
57.36551	0.1
59.01378	0.2
61.98829	0.5
62.96414	0.3
69.42921	1.2
71.24435	0.1
78.95907	44.1
85.40225	0.1
96.96969	6.2
117.98168	0.1
150.98047	1.6
152.99600	100.0
153.99927	1.5
162.82603	0.1
163.94893	0.2
171.00655	4.2
171.02119	0.2
203.13277	0.1
240.02832	0.2
277.21759	0.5
394.77960	0.1
399.16101	0.1
431.22021	24.8
432.22357	3.6
518.25201	6.1
519.25720	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	519.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60360	0.5
55.01873	2.3
56.47993	0.5
57.03450	11.5
58.00601	0.6
59.01378	11.5
68.99809	1.0
69.97813	2.1
69.98228	1.0
70.02323	0.5
71.01382	7.8
72.99303	2.3
73.02953	1.6
75.00880	3.3
79.95710	0.6
82.41827	0.5
83.01407	2.9
84.02168	2.2
85.02959	100.0
86.03291	3.2
87.00906	1.7
89.02445	2.7
93.03461	8.7
96.96024	9.6
96.99328	1.5
98.20525	1.1
99.00873	0.8
101.02454	2.1
103.00397	1.3
109.66209	0.5
111.00896	5.8
113.02459	1.2
115.00391	2.0
117.03497	1.6
119.05051	9.0
121.02980	1.9
123.04562	0.8
128.03578	0.7
129.01953	11.9
131.05035	2.0
133.01434	1.7
133.03003	1.9
134.03754	1.8
143.05051	5.6
145.02979	1.1
145.06586	0.7
147.01830	0.9
147.03012	19.0
148.03323	0.9
148.05333	0.7
149.06079	1.3
161.04549	0.8
163.04007	4.5
165.05539	0.7
171.04579	0.6
173.00934	2.1
191.01993	46.3
192.02342	1.6
193.05081	0.8
195.06636	1.0
207.10136	0.7
209.03041	20.9
210.03423	0.9
211.07660	2.1
223.07680	0.9
226.06425	2.3
235.07658	1.1
237.09241	3.0
239.10966	0.7
241.00349	1.3
241.08688	2.6
249.06192	1.1
265.08633	7.8
266.08951	1.3
267.06976	0.6
283.09735	0.9
309.07681	2.6
321.68170	0.6
327.08734	39.4
328.09134	4.8
337.42856	0.6
355.06583	0.8
373.07605	1.4
433.04175	0.7
439.10986	2.8
501.16409	1.8
502.17447	0.6
519.16229	4.6
520.17322	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52142	0.4
51.86291	0.3
59.01380	51.2
60.01716	1.2
61.98832	100.0
65.95841	0.3
69.03466	0.7
69.41500	0.8
69.41913	3.4
71.01389	4.6
72.01720	0.4
72.99326	0.6
73.02949	3.9
75.00885	0.6
79.95741	2.9
80.96518	0.5
81.99417	0.3
83.01399	1.6
83.05059	0.5
85.02966	2.7
87.00910	0.5
89.02447	2.5
95.01376	0.5
95.95244	1.7
96.96024	14.8
98.95605	1.0
99.00915	0.5
101.02464	5.3
101.66212	0.4
107.05047	0.4
113.02471	3.1
119.03489	0.8
121.02981	0.5
138.97017	0.4
143.03485	0.8
149.04626	0.6
150.97037	0.6
161.04491	1.5
177.04018	0.6
179.10686	0.5
189.12848	0.4
191.01939	0.5
221.11725	1.1
222.12106	0.7
229.15935	0.7
241.00072	0.6
256.99808	2.2
313.01007	0.3
369.19040	0.6
399.13126	0.5
411.19781	1.3
413.14670	0.5
455.19473	0.4
516.21637	0.4
517.29144	0.6
517.66101	0.5
518.21503	8.2
518.28735	1.6
519.21442	2.7
519.30353	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	518.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.5
57.03447	8.7
58.00592	0.3
58.03794	0.2
59.01377	25.3
60.01704	0.5
61.98830	100.0
66.58316	0.2
69.03455	0.7
69.39501	2.4
71.01385	8.1
71.05032	0.5
72.99307	0.6
73.02948	2.5
75.00873	0.6
78.95908	0.7
79.95757	0.5
83.01388	1.1
83.05013	0.3
85.02954	4.7
87.00885	0.7
87.04528	0.8
88.36241	0.2
89.02465	2.2
95.01405	0.5
95.05029	0.3
96.96023	5.1
96.96603	0.3
97.02976	0.7
97.06598	0.7
98.95619	0.3
99.00903	1.1
99.04568	0.3
101.02457	4.1
106.06637	0.4
107.05120	0.2
109.06617	0.7
111.00908	0.2
111.08205	0.3
113.02453	2.9
119.03526	1.0
119.05087	0.3
120.01277	0.3
121.06596	0.4
123.04529	0.3
123.08194	0.4
125.02444	0.3
125.09757	0.3
129.01917	0.3
133.06604	0.2
135.04543	0.5
137.09732	2.5
139.07640	0.6
141.09232	0.2
143.03520	0.4
147.03020	0.5
149.04593	0.4
149.09723	0.7
150.05624	0.8
151.11316	0.3
155.10783	0.2
161.02521	0.3
161.04585	1.2
163.54480	0.2
165.05556	0.3
165.12885	0.3
167.03569	0.3
176.03490	0.2
179.05614	0.5
189.12848	0.3
191.01997	0.7
192.11594	5.0
193.11920	0.3
203.05618	3.4
207.13911	49.5
208.14268	4.1
241.00230	0.6
249.05984	0.5
249.18509	0.2
267.07129	0.3
269.17499	0.3
293.21146	0.2
321.24350	0.4
355.24905	0.3
357.26456	5.5
371.24408	0.5
387.23752	0.6
509.94434	0.2
518.05420	0.3
518.25659	0.6
519.04376	0.6
519.17847	0.4
519.24860	1.1
519.31885	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	518.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21003	0.2
52.46067	0.2
55.01887	0.4
57.03447	9.2
58.00604	0.2
59.01378	24.9
60.01715	0.7
61.98830	100.0
69.03461	1.1
69.76259	1.4
69.76669	0.4
71.01383	8.2
71.05019	0.4
72.69795	0.2
72.99326	0.5
73.02950	2.3
75.00886	0.6
78.95912	0.3
79.95772	0.6
83.01395	1.0
83.05037	0.4
85.02958	4.6
87.00873	0.5
87.04529	1.0
89.02467	2.2
93.03480	0.3
95.01402	0.6
95.05037	0.3
96.96021	6.2
96.96956	0.3
97.02985	0.5
97.06618	0.4
98.20338	0.8
98.95649	0.3
99.00865	1.4
99.04559	0.3
101.02448	4.5
109.06609	1.1
111.00952	0.3
111.08152	0.3
113.02475	2.8
119.03519	1.0
121.06617	0.3
123.08197	0.4
125.02440	0.3
129.01935	0.5
135.04530	0.4
137.09720	2.9
139.07672	0.8
143.03514	0.5
147.03053	0.4
149.09727	0.6
150.05595	0.4
151.11272	0.4
155.10789	0.5
161.04572	1.1
165.05591	0.4
165.12904	0.3
167.03488	0.2
179.05653	0.5
179.10834	0.3
183.13876	0.3
189.12776	0.5
191.02048	1.2
192.11577	5.1
193.11896	0.4
201.80785	0.2
203.05644	3.6
204.05791	0.3
207.13902	55.9
208.14236	4.8
241.00114	0.3
249.06155	0.3
279.19611	0.4
321.24289	0.5
327.25412	0.3
357.26477	5.7
371.24420	0.6
387.23511	0.6
409.11621	0.5
421.15125	0.3
518.22247	0.4
518.30511	0.4
519.04193	0.9
519.16675	0.4
519.24591	1.1
519.31909	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	517.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01714	0.9
61.44448	0.7
61.98830	2.9
62.04951	0.7
70.31146	1.8
78.99384	0.6
91.04039	1.0
160.03900	0.7
233.89433	0.7
383.35410	2.2
396.66656	0.8
449.10599	0.7
527.57751	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97872	0.3
55.01891	0.3
57.03444	0.9
59.01378	100.0
60.01720	1.7
61.98834	5.4
69.03478	0.5
69.54156	1.4
69.54578	1.5
71.01386	5.3
71.05015	0.3
72.99311	0.8
73.02950	1.3
75.00874	1.4
79.95751	1.2
83.01400	0.9
85.02955	5.1
86.03307	0.5
87.00901	1.0
89.02467	1.0
90.02773	0.3
90.12184	0.3
95.01404	0.6
95.95260	1.1
96.96024	7.7
98.95628	0.7
99.00908	1.3
99.04564	0.6
101.02463	2.4
101.06081	0.4
111.00918	0.5
113.02460	2.7
114.02857	0.3
115.00367	0.5
117.01980	0.4
119.03542	0.4
121.02975	3.5
123.04552	0.5
127.25858	0.3
129.01949	0.7
137.09752	0.4
137.96974	0.3
141.34454	0.4
145.02997	0.3
157.84250	0.4
161.04596	0.7
179.05579	0.3
179.10701	0.3
187.11507	0.3
188.54202	0.3
191.14497	0.4
193.12376	0.6
205.03539	0.9
207.13998	0.4
221.11899	1.1
221.15475	1.1
222.15758	0.7
223.16151	0.6
241.00325	0.6
249.06183	0.6
251.06718	0.4
256.99792	1.5
257.10849	0.4
284.37048	0.4
313.07205	0.8
313.23538	0.4
318.12482	1.1
343.07031	0.5
357.08743	0.7
371.09958	0.4
391.07663	0.3
401.08716	3.1
402.09607	0.4
409.27063	0.3
415.23462	1.0
455.19388	0.5
457.28589	3.8
458.28662	0.6
475.29343	2.3
476.29263	0.5
517.04767	0.5
517.22046	9.7
517.30109	4.1
517.64368	0.3
518.21521	1.1
518.29425	0.7
536.46918	0.4
544.38141	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.6
58.00592	1.7
59.01378	28.0
61.98815	1.4
69.51897	4.3
71.01380	8.7
72.99313	2.2
89.02452	20.7
91.04018	86.8
92.04331	1.5
102.15353	0.5
113.67873	0.6
204.35449	0.4
253.09242	1.0
273.80023	0.5
277.21750	0.8
279.26834	0.7
281.24902	5.9
282.25085	0.9
305.28592	1.4
307.30054	100.0
308.30414	12.2
308.33984	0.7
325.31128	1.4
351.29050	53.1
352.29373	6.4
369.30087	56.7
370.30478	8.7
425.32721	34.7
426.33054	5.8
443.33755	59.3
444.34067	8.5
478.32233	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.9
58.00596	1.8
59.01378	27.7
60.01686	0.3
61.98824	0.7
65.39371	0.2
69.03459	0.3
69.42553	0.2
70.88607	0.7
71.01384	8.5
71.05000	0.4
72.99310	2.8
78.95921	0.3
80.91176	0.2
89.02450	20.8
90.02785	0.3
91.04015	87.9
92.04350	1.3
121.02994	0.2
133.06480	0.2
135.03020	0.5
152.99615	0.4
160.11302	0.2
221.37204	0.2
279.26929	0.8
280.00937	0.2
305.28506	1.6
307.30045	100.0
308.30396	13.4
321.61621	0.2
325.31183	1.4
325.34644	0.2
351.29037	51.2
352.29385	7.2
352.33817	0.3
369.30090	59.4
370.30426	8.0
425.32706	34.7
426.33066	6.1
443.33762	57.5
444.34119	10.1
444.40350	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.8
57.03450	14.4
58.00610	0.8
58.03804	0.4
59.01381	40.0
60.01728	0.5
61.98832	6.6
67.01930	1.0
68.99850	1.4
69.03484	1.5
71.01388	24.8
71.05057	0.7
72.01749	0.6
72.99305	3.7
73.02950	4.4
73.20058	0.4
75.00880	14.3
81.03479	0.6
83.01395	2.0
83.05077	1.0
85.02959	26.3
86.03346	0.5
87.00885	9.0
89.02457	7.2
91.04055	0.9
93.03499	0.5
95.01405	5.5
96.96029	1.8
97.02987	0.5
97.06644	0.4
99.00890	8.7
99.04532	10.0
101.02462	6.3
103.00381	2.2
107.05075	0.7
109.03003	0.5
111.00923	0.7
112.01688	0.7
113.02464	37.2
114.02837	1.2
115.00377	1.9
117.01968	2.3
119.03553	1.2
123.04597	1.3
125.02466	3.1
125.06109	0.6
129.01955	2.1
131.03555	1.4
135.04590	0.9
135.11884	0.7
137.66104	0.4
143.03557	0.8
145.95496	0.3
149.04617	1.5
157.01445	0.8
161.04558	1.9
161.09775	2.4
161.13416	1.5
163.11346	1.4
175.02522	2.6
179.05711	0.7
179.10811	0.8
187.11295	2.4
189.09250	0.7
191.02011	0.6
205.07153	0.7
205.12340	2.1
207.05138	1.7
207.10262	0.9
223.13443	1.5
231.05124	1.4
249.06146	15.9
250.06490	0.8
267.07205	57.3
268.07581	3.5
289.06616	0.3
293.05887	0.3
309.08398	0.4
341.16034	1.2
385.15057	0.4
432.86374	0.3
455.19125	1.5
457.16959	1.9
473.20432	2.0
499.18066	2.6
517.19086	100.0
518.19415	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	517.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	0.8
56.85913	0.5
57.03453	7.4
57.03691	0.5
58.00611	0.9
59.01105	1.1
59.01377	34.4
60.01735	0.7
61.98830	0.8
64.98000	0.5
68.99862	0.8
69.03455	5.1
71.01382	34.9
72.99310	5.2
73.02946	4.2
75.00872	16.3
79.95782	1.2
80.96524	0.6
81.03483	0.6
82.95438	0.7
83.01431	2.0
83.05050	1.3
85.02956	38.3
86.03346	1.0
87.00880	11.3
88.04042	6.9
89.02448	10.6
91.04057	1.2
93.03490	0.7
95.01403	6.6
95.95231	0.6
96.96020	16.5
97.02971	1.4
98.95648	1.2
99.00887	12.5
99.04529	1.1
100.19282	0.5
101.02442	4.5
103.00401	3.1
107.05045	1.0
109.03011	0.7
111.00937	1.2
112.01718	1.2
113.02458	45.7
113.06104	0.7
114.02822	1.1
114.20302	0.5
115.00394	7.1
116.92896	0.6
117.01965	2.9
119.03524	0.8
119.05070	1.9
120.01308	1.1
120.05885	1.0
120.99711	1.2
129.01958	3.9
131.03572	1.5
132.03082	2.0
134.03683	0.6
135.03046	1.0
135.04527	1.2
135.11867	0.7
137.02518	1.0
137.09767	0.9
139.00465	0.7
143.03503	0.6
147.03073	1.8
149.04596	2.1
149.05832	0.5
155.10796	13.0
155.57310	0.6
157.01486	1.0
159.11789	1.4
161.04619	1.4
161.09726	3.6
161.13422	1.1
163.04059	2.2
163.11395	0.6
175.02538	3.0
179.05647	1.5
179.10800	4.4
185.00954	1.7
187.11275	2.4
189.09267	0.8
191.01991	4.7
191.03526	0.9
199.09746	7.3
203.10805	3.2
205.12381	1.3
207.05110	2.0
207.10243	0.9
209.03079	3.1
213.05630	0.9
221.11786	0.9
223.09801	2.6
223.13425	1.1
230.12357	0.9
241.00241	1.7
241.05022	7.0
242.05420	0.6
249.06123	10.0
250.06567	0.6
250.49060	0.5
256.07446	4.6
267.07187	89.3
268.07440	5.7
271.02905	0.5
271.09760	12.9
272.10059	1.0
283.05905	0.8
295.11752	0.7
299.09232	1.6
313.10736	1.4
325.12827	1.5
327.07614	0.8
331.13983	7.6
341.16061	0.9
342.09683	1.8
343.10843	0.6
354.09830	0.8
355.11078	1.3
356.12186	0.6
357.12161	2.3
358.13132	1.1
369.12054	0.9
372.14328	2.1
373.12720	3.0
384.14590	0.6
385.14670	2.0
425.71921	0.6
444.16757	1.5
457.17075	1.9
488.15649	5.4
499.18024	2.3
517.19049	100.0
518.17828	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.2
58.00617	0.2
59.01377	4.0
59.01664	0.2
61.98850	0.3
69.56215	1.0
71.01383	3.3
72.38818	0.1
72.99342	0.2
73.02950	0.7
74.78560	0.1
75.00904	0.4
76.62305	0.1
78.95914	0.1
83.01414	0.4
85.02966	0.7
87.00914	0.4
89.02451	2.6
91.04057	0.2
93.90416	0.1
95.01433	0.3
96.96040	0.3
97.03024	0.2
99.00911	0.3
101.02457	3.9
107.32047	0.1
113.02458	1.8
119.03521	0.9
125.02449	0.2
133.05116	0.3
143.03531	0.3
152.99753	0.1
154.00233	0.1
157.05028	0.2
161.04578	1.2
179.05623	0.4
235.08252	1.3
253.09279	13.9
254.09645	0.7
255.23334	0.2
259.89401	0.1
261.22202	0.3
277.97842	0.1
279.23273	100.0
280.23630	11.3
304.26517	0.1
345.56015	0.1
515.28528	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	4.0
59.01378	25.0
62.12790	0.5
66.93054	0.5
68.99817	1.1
69.03455	1.3
69.58184	4.8
71.01389	22.3
72.99307	3.8
73.02951	2.1
75.00880	11.8
83.01409	0.6
83.05026	0.9
85.02959	24.2
86.03317	1.1
87.00883	8.9
89.02451	5.4
91.04028	1.1
95.01402	5.2
96.96008	2.0
99.00905	8.4
100.01137	0.4
101.02457	1.6
103.00397	2.6
111.00890	0.7
113.02466	30.1
114.02784	1.3
115.00378	1.7
116.92875	2.4
117.01955	1.9
129.01971	2.0
131.03482	0.7
135.11841	0.7
149.04593	1.1
157.01453	1.1
161.09756	2.9
161.13371	1.7
163.11278	1.5
175.02490	2.1
179.10825	2.5
187.11273	2.4
189.09221	0.6
191.02022	1.1
199.54543	0.6
203.10825	1.3
205.07079	1.1
205.12340	1.8
207.05173	1.2
207.10271	0.9
223.09831	0.8
223.13448	1.4
231.05054	0.7
249.03726	0.9
249.06160	12.1
250.06583	0.9
267.07208	54.5
268.07578	3.1
272.46548	0.7
325.12863	0.9
341.16260	1.2
371.39975	0.5
385.15237	1.1
401.01825	0.5
420.87006	0.6
455.19058	1.1
457.17035	1.3
485.50436	0.6
499.18384	2.5
517.19208	100.0
518.11761	0.9
518.19562	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.9
57.03448	55.5
58.03778	1.4
59.01379	100.0
60.01713	1.3
61.98829	13.9
69.03454	2.2
70.71271	0.7
71.01385	24.4
71.72977	0.8
71.73382	0.7
72.01717	0.8
72.99316	2.7
73.02943	8.4
75.00876	4.9
78.95911	2.3
79.95747	3.8
80.25594	0.8
80.96487	1.5
81.03484	1.5
83.00980	0.7
83.01395	4.2
83.05034	1.1
85.02958	20.4
85.03452	1.1
87.00900	3.7
87.04523	3.5
89.02458	6.4
95.01402	2.6
95.95252	1.8
96.96023	40.2
97.02951	0.9
98.95631	1.6
99.00896	6.4
99.04530	57.2
100.04884	1.6
101.02457	21.9
103.00357	0.8
109.03001	0.8
111.00900	1.6
111.04582	0.9
113.02458	13.1
115.00417	0.8
119.03555	2.2
120.01231	0.8
121.02976	2.5
123.04556	0.9
125.02465	16.5
129.01947	3.7
137.02414	0.8
138.97141	1.2
143.03545	2.0
149.04538	3.5
159.03044	1.3
160.04129	0.9
161.04570	5.3
165.05649	0.9
179.05701	1.6
179.14465	1.0
183.10309	0.7
189.12933	1.6
191.02014	2.4
203.14421	0.7
205.03598	1.1
205.12367	1.3
221.15526	2.7
223.13376	0.9
241.00328	2.9
249.06157	4.2
251.12920	5.0
256.99783	1.2
265.14514	1.0
267.07144	6.2
267.19681	3.4
293.13977	0.9
371.20761	9.4
371.24973	1.1
376.36868	0.8
383.16586	2.0
411.24149	1.8
413.21835	3.5
429.18106	2.7
429.24640	0.8
453.25369	1.0
455.23053	2.9
471.19525	2.1
473.17313	1.4
515.25641	22.9
516.21637	2.8
516.28442	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	515.2132
Annotation	hesperadin
Peak:m/z	Relative Intensity
55.01861	1.0
55.52635	0.2
57.03444	2.0
58.00589	0.6
59.01379	14.1
60.01720	0.3
61.98828	3.8
66.89283	0.2
67.01878	0.7
68.99807	1.4
69.03459	1.7
69.52850	1.4
69.53275	0.8
71.01385	13.3
72.01700	0.4
72.99311	4.2
73.02951	1.8
75.00877	12.1
78.95888	0.3
79.95741	0.6
80.68272	0.2
80.96545	0.3
81.03470	0.9
83.01376	1.1
83.05010	1.0
85.02958	13.7
87.00887	5.1
88.06979	0.3
89.02450	3.0
91.04000	0.3
93.03452	0.5
95.01396	3.5
95.95251	0.6
96.96024	9.5
97.02960	0.6
97.06579	0.3
98.95596	1.5
98.96468	0.3
99.00890	7.2
99.03890	0.5
99.04530	8.9
101.02444	1.8
103.00366	1.4
109.02944	0.6
109.06561	0.3
111.00927	1.2
111.04539	0.6
112.01723	0.3
113.02464	12.8
114.02768	0.3
115.00413	1.4
115.03973	0.2
117.01949	1.3
121.10220	0.2
125.02438	0.6
129.01958	1.7
130.99748	0.3
131.03461	0.4
135.08157	0.9
138.97034	0.6
143.03540	0.3
147.02983	0.3
150.97096	0.3
157.01405	1.2
157.08881	0.3
161.04535	0.3
161.09586	0.3
175.02484	2.0
178.99956	0.3
185.00948	0.5
185.13365	0.5
189.04024	0.5
191.01967	0.3
197.19066	0.3
198.99208	0.3
203.14424	5.6
204.14648	0.3
205.07082	0.3
220.14671	1.3
221.15468	25.4
222.15790	2.1
231.05077	1.5
233.06815	0.3
241.00174	0.7
247.13400	1.0
249.06140	13.6
250.06511	0.9
256.99881	0.3
259.34442	0.3
265.14447	5.4
266.14929	0.4
267.07175	3.2
268.07486	0.3
293.08688	0.8
311.22348	0.3
339.18216	3.3
340.18552	0.4
353.23325	0.3
429.17987	1.5
453.21399	1.5
455.19257	0.3
455.26324	0.4
471.22263	0.8
473.27170	0.4
497.20163	2.9
515.21191	100.0
516.21613	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69585	0.1
52.92045	0.1
55.01880	0.3
57.03457	0.2
58.00335	0.1
58.00606	0.2
59.01376	6.3
60.01731	0.1
60.03445	0.1
67.98426	0.1
69.03449	0.1
70.75217	0.2
71.01384	5.0
72.01762	0.1
72.99323	0.2
73.02956	1.0
73.03346	0.1
81.03480	0.1
83.01381	0.6
83.05052	0.1
85.02957	1.2
85.03448	0.1
87.00877	0.6
89.02449	3.6
91.04031	0.2
92.84227	0.1
95.01398	0.4
97.02973	0.2
99.00902	0.2
99.04567	0.1
101.02457	4.6
103.04031	0.1
113.02463	2.2
115.04041	0.2
119.03510	1.0
125.02486	0.2
127.07682	0.2
131.03542	0.2
133.05095	0.4
143.03520	0.5
149.04646	0.1
152.99623	0.1
157.05080	0.2
161.03244	0.1
161.04585	1.6
161.05873	0.1
179.05678	0.6
182.13155	0.1
183.13979	0.1
205.19676	0.1
233.22731	0.3
235.08221	1.3
253.09277	15.8
254.09598	0.9
259.20615	0.3
275.20096	0.4
275.45438	0.1
277.21710	100.0
278.22049	11.4
326.38513	0.1
409.90045	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00161	0.3
59.01372	0.4
61.98832	100.0
62.99288	0.4
68.25210	0.3
71.73302	0.3
78.95958	0.6
92.07672	0.3
101.89547	0.3
108.22038	0.3
117.72896	0.3
133.62474	0.3
150.22900	0.3
154.99910	0.6
220.81996	0.3
234.89899	0.3
267.25043	0.4
349.97906	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83574	0.9
55.01881	2.5
57.03449	14.1
58.00579	1.4
58.92130	1.1
59.01379	97.7
60.01698	1.2
61.98829	21.7
63.60867	0.8
69.03455	3.3
71.01384	39.8
71.05051	1.0
71.73112	1.3
72.25710	1.1
72.73428	1.0
72.99299	2.1
73.02952	35.4
75.00867	3.3
77.22446	1.0
78.95924	4.6
79.95733	5.0
80.96525	1.6
83.01394	12.3
83.04997	1.3
85.02958	24.1
85.60696	0.9
87.00892	5.0
87.04524	2.7
88.98822	1.3
89.02451	11.5
95.01413	2.2
95.95257	1.8
96.96022	46.5
96.96961	2.0
97.02958	2.8
97.06548	1.0
98.95595	2.6
99.00877	3.1
99.04523	11.9
101.02454	30.9
103.00389	1.7
111.00901	5.2
111.04539	1.5
113.02457	11.2
119.03525	4.5
119.05039	2.6
120.99660	1.9
125.02457	6.0
125.09675	0.9
129.01947	6.3
131.03532	2.6
134.03766	1.1
135.04550	1.3
135.11816	1.9
138.97046	2.4
141.09122	1.1
143.03548	1.7
143.04619	1.0
145.02957	1.8
146.72588	0.8
147.02946	1.1
147.04532	5.5
149.04521	2.3
155.10620	0.9
161.04605	6.8
161.13367	1.1
163.04037	2.2
179.05692	2.6
179.10811	17.3
185.00931	1.5
191.01952	1.8
205.03535	4.2
205.12274	2.5
223.04576	6.4
241.00237	3.7
249.06024	1.3
249.15005	10.5
256.99640	2.3
267.07086	1.7
353.23364	5.8
369.08456	1.4
371.20877	1.4
383.20645	1.8
411.20383	1.5
429.21194	3.1
435.25885	3.8
455.27185	1.0
464.17560	1.1
471.22375	100.0
472.22769	16.7
515.04242	1.1
515.13452	1.8
515.26172	12.5
515.69537	1.2
516.28271	1.7
522.82837	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2376
Annotation	Protoasukamycin
Peak:m/z	Relative Intensity
55.01866	0.4
59.01380	7.2
61.98829	4.5
71.01389	3.0
71.05028	0.7
71.33597	0.8
72.99315	0.5
73.02946	1.3
75.00864	0.7
78.95871	0.3
79.95744	4.2
80.96530	2.0
83.01367	0.4
85.02965	2.3
86.62455	0.3
87.00885	0.6
89.02446	1.0
90.33031	0.3
95.95246	2.6
96.96024	79.5
98.95569	0.4
99.00912	0.5
101.02450	2.0
113.02467	1.4
119.03507	0.4
121.02967	0.6
122.97588	1.1
123.04484	0.3
130.08685	0.3
134.03813	0.6
138.97098	3.3
150.97072	1.0
161.04655	0.6
164.98637	0.6
177.04022	0.3
177.09142	0.5
180.98119	0.9
191.01892	0.3
198.99178	0.9
211.13422	0.8
221.08238	3.1
222.08589	0.3
225.00722	0.4
227.16557	1.0
241.00212	3.8
291.19733	1.0
433.24527	1.2
450.10620	0.4
513.23834	100.0
514.24146	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	513.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62497	0.0
55.01881	0.3
56.47024	0.0
57.03448	0.1
58.00589	0.3
58.00826	0.0
59.01379	5.6
59.98528	0.0
60.01717	0.1
66.25949	0.0
68.83511	0.0
68.99828	0.0
69.03461	0.1
70.92557	0.1
71.01386	4.9
72.01740	0.1
72.99315	0.3
73.02954	1.0
75.00887	0.1
81.03462	0.1
83.01390	0.5
83.01868	0.0
83.05034	0.2
85.02957	1.1
86.00110	0.0
87.00883	0.6
89.02454	3.7
90.02789	0.1
91.04024	0.2
93.39589	0.0
95.01402	0.4
97.02932	0.2
97.06609	0.1
99.00901	0.2
99.04517	0.1
101.02456	5.0
102.02794	0.1
103.04026	0.2
111.00904	0.0
111.04543	0.1
113.02468	2.0
113.06098	0.1
114.02803	0.1
114.08663	0.0
115.04038	0.1
119.03518	1.1
125.02486	0.2
127.04005	0.0
127.07654	0.2
129.01956	0.0
129.22867	0.0
131.03523	0.2
133.05103	0.4
143.03523	0.5
145.05101	0.1
149.04607	0.1
152.99602	0.1
154.10005	0.0
157.05089	0.2
161.04582	1.7
162.04933	0.1
169.05090	0.0
179.05627	0.5
182.13077	0.1
187.06252	0.1
197.11868	0.1
205.19611	0.1
217.07043	0.0
233.22842	0.3
235.08218	1.3
236.08649	0.0
253.09279	16.9
254.09665	1.1
259.20654	0.4
261.18558	0.0
275.20096	0.3
276.20526	0.1
277.21713	100.0
278.22049	11.7
483.88425	0.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92706	1.2
59.01381	40.2
61.98840	16.0
69.03493	1.9
69.58598	12.3
71.01392	15.4
71.24890	1.5
72.99305	1.4
73.02952	7.9
75.00877	1.7
78.95911	1.6
79.95747	3.1
83.01363	2.2
83.05032	2.2
85.02956	6.0
89.02455	3.1
93.03465	1.8
96.96022	35.1
98.19858	3.0
98.95594	2.6
99.00877	2.9
99.04528	15.5
101.02466	7.9
113.02454	5.3
121.02924	1.4
131.03479	1.4
149.04550	2.1
160.04057	2.3
183.10208	2.2
203.14491	10.0
221.15482	35.7
222.15845	2.2
225.00945	1.5
241.00206	2.8
247.13467	2.2
265.14438	100.0
266.14703	8.8
289.14148	1.6
291.19739	2.7
307.15326	2.8
433.27802	1.5
469.20151	1.4
513.16516	1.6
513.23212	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.0898
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98281	0.3
57.03450	0.5
59.01374	1.3
61.98835	0.5
66.63991	0.3
71.01381	2.4
71.71606	0.6
72.99281	0.4
73.02953	0.4
75.00871	0.5
79.95743	8.1
79.96194	0.6
80.96519	1.8
83.01405	0.3
85.02956	2.3
86.02499	1.6
87.00838	0.5
87.82917	0.3
90.27016	0.3
91.97905	0.3
95.95242	5.8
95.95805	0.6
96.96021	100.0
97.95962	0.5
99.00895	0.6
101.02480	1.1
113.02467	0.9
120.01273	9.1
121.06651	0.6
121.98020	0.3
122.97594	0.4
125.02473	0.4
128.07198	0.7
129.01956	0.4
138.01984	0.9
138.97083	5.6
141.95724	0.6
143.03490	0.6
149.06100	22.7
150.06422	1.1
150.97087	0.9
152.98618	0.4
162.89398	0.4
164.98674	0.7
167.00134	0.4
168.98201	0.8
180.98167	0.7
182.99826	0.5
183.04868	4.5
184.05202	0.5
209.03029	0.4
222.99138	1.3
225.00769	2.6
241.00229	22.8
242.00494	1.2
251.05638	0.5
270.08066	0.7
291.96661	0.4
373.04443	0.8
425.05807	12.1
426.06012	1.6
427.12958	0.7
432.13364	5.6
433.13693	0.5
469.13699	0.5
474.94592	0.3
512.08954	57.5
513.08978	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	512.0711
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31262	0.3
57.03449	0.7
59.01381	2.9
61.98825	1.0
69.03417	0.3
71.01382	3.4
71.72408	0.4
72.00916	0.3
72.99289	0.6
73.02942	1.3
75.00855	0.4
79.95741	7.2
80.96534	1.4
83.01388	0.5
85.02953	4.3
87.00896	0.5
89.02458	1.2
90.66077	0.2
95.01342	0.6
95.95245	5.3
96.96022	100.0
97.02930	0.3
97.95943	0.3
98.95601	0.6
99.00877	2.1
101.02460	1.9
103.00410	0.3
108.02197	5.2
113.02471	2.8
120.01279	0.5
122.97586	1.9
125.02483	0.4
138.01990	50.0
138.97096	1.6
139.02304	1.8
143.03581	0.3
144.06702	0.4
147.03035	0.4
150.03270	0.3
150.97108	0.6
151.97859	2.5
152.98647	0.8
153.02007	0.7
153.09282	0.7
160.04066	1.1
161.04478	1.2
165.05553	0.3
166.05139	0.3
180.98106	2.9
191.01950	1.3
209.03072	0.4
210.99249	0.3
213.57623	0.3
225.00792	0.5
239.99446	2.7
241.00243	4.5
242.00424	0.3
249.06239	0.3
255.12401	0.8
300.07364	0.5
345.04980	0.3
355.03464	0.4
373.04465	50.6
374.04858	3.1
426.07751	0.3
427.12830	1.6
432.11380	0.7
468.08966	0.7
469.14142	1.0
494.15265	0.5
511.18658	1.6
512.07098	68.4
512.18042	2.1
513.07074	7.8
513.13440	1.0
513.19543	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.182
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43326	0.3
57.03440	0.6
59.01377	7.3
61.24920	0.4
61.98827	3.5
63.78806	0.3
69.42895	1.7
69.43319	2.2
71.01382	2.8
72.99300	0.5
73.02931	0.9
75.00856	0.8
79.95734	3.7
80.96528	1.5
83.01377	0.4
83.05020	0.7
85.02962	3.5
86.03317	0.7
87.00877	2.0
89.02446	0.8
95.01386	0.4
95.95225	1.1
96.96021	51.0
98.19830	0.6
98.95597	1.7
99.00942	0.5
101.02465	1.8
103.00356	2.3
108.02187	21.1
109.02982	11.5
110.03307	0.7
111.00969	0.4
111.04494	0.4
113.02463	1.3
120.01257	0.8
120.99648	0.7
122.97485	0.4
123.04536	11.2
124.04858	0.7
125.02458	0.5
129.01959	0.6
134.03737	0.5
135.04538	0.5
136.07748	0.5
138.97083	0.6
147.03015	0.5
150.97113	0.6
151.00362	0.4
152.01169	44.0
152.98660	0.4
153.01970	17.7
154.02287	0.9
156.00671	1.1
161.04582	0.4
164.98642	1.8
167.03510	100.0
168.03848	4.8
177.04010	0.5
180.98140	0.9
191.01984	0.7
192.02521	0.4
229.74138	0.4
241.00275	3.1
254.99950	0.7
256.99756	0.9
259.02884	0.9
265.05420	0.5
319.44760	0.4
332.24939	0.5
357.12238	0.4
401.92282	0.4
423.13074	1.2
425.14893	24.7
426.15439	2.2
436.18970	0.4
448.09891	0.8
451.32773	1.1
467.15915	11.6
468.16177	2.0
469.17319	1.2
481.16849	0.9
493.17697	1.8
510.61172	0.8
511.15027	16.0
511.18448	12.4
512.14502	1.6
512.19934	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	511.076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.3
57.03446	0.7
58.00587	0.2
59.01378	9.2
61.98834	0.5
71.01389	2.0
71.72734	0.2
72.99288	0.5
73.02946	1.2
79.95747	6.8
80.96529	2.0
83.01387	0.5
84.84766	0.2
85.02958	3.4
87.00886	0.6
89.02456	0.9
91.35400	0.2
94.98100	0.3
95.95241	3.1
96.96021	100.0
97.95968	0.4
98.95592	1.1
99.00936	0.3
101.02449	1.8
102.99720	0.4
103.00383	5.7
108.04578	0.3
109.02906	0.3
111.00903	0.4
112.12920	0.2
113.02451	1.0
117.87700	0.2
120.01263	11.6
121.01711	0.9
121.03032	0.2
122.00823	0.9
122.97594	0.6
125.02496	0.4
125.09701	0.4
129.01920	0.3
134.97575	0.9
136.07642	0.4
138.97060	1.3
143.03491	0.4
147.03015	0.4
150.97089	0.8
151.61612	0.2
152.07124	0.5
152.98642	3.0
153.01939	5.2
154.02271	0.3
161.04582	0.3
162.09225	0.4
163.68993	0.2
164.98651	2.1
167.03528	0.3
168.04305	4.9
169.04678	0.4
174.18456	0.2
180.06647	1.2
180.98128	1.6
181.07007	0.2
183.06622	1.2
187.09744	0.3
191.02055	1.0
194.99789	0.5
197.01276	0.2
198.99211	0.3
219.01802	0.2
222.99170	0.4
225.00711	1.1
238.13480	0.2
241.00224	18.0
242.00574	0.5
244.97363	0.2
253.09744	0.5
254.10100	0.3
256.99786	0.4
267.01831	0.3
267.11237	0.3
271.02435	0.5
283.01321	1.7
300.02701	0.8
301.03622	0.6
395.13721	0.6
407.06570	0.2
407.13931	0.4
425.07584	29.8
425.14816	22.3
426.07864	2.9
426.15176	2.2
443.17325	0.2
447.09424	0.6
448.18808	0.5
449.19058	0.5
466.19882	1.3
467.08630	18.4
467.15863	9.1
468.08957	2.3
468.16183	1.4
469.17236	2.1
493.06415	1.0
493.13339	0.4
511.07544	10.5
511.15210	11.0
512.07758	1.2
512.15204	1.5
512.20258	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.3
59.01381	14.4
61.98830	0.8
69.03448	0.4
69.29396	0.3
69.80502	0.8
69.80924	2.1
71.01382	3.7
72.99310	0.9
73.02967	1.9
75.00867	0.8
79.95747	7.9
80.96526	2.4
83.01392	0.9
85.02962	4.9
86.03329	0.4
87.00882	0.7
87.19421	0.3
89.02462	1.9
95.01382	0.4
95.21651	0.3
95.95238	2.6
96.96023	100.0
97.02972	0.5
98.20638	0.5
98.95610	1.6
98.96443	0.5
99.00911	0.4
99.04532	0.4
101.02445	2.9
103.00385	6.0
108.04507	0.4
110.97569	0.6
113.02467	1.4
120.01271	10.5
121.01617	1.2
122.00854	1.1
122.06168	0.6
122.97587	0.6
125.02483	0.5
129.01991	0.8
134.97620	0.4
136.07739	0.8
138.97151	0.7
143.03473	0.4
144.04547	0.5
149.04559	0.6
149.97581	0.3
150.97131	1.2
151.00438	0.4
152.07198	0.7
152.98639	2.2
153.01933	2.3
159.88901	0.4
161.04591	0.5
162.09288	0.9
164.98674	2.7
165.01953	0.4
166.81990	0.4
168.04326	2.8
168.98201	0.5
180.06677	1.4
180.98186	1.8
181.07098	0.5
183.02994	0.4
183.06586	0.7
191.02032	0.9
194.99673	0.4
197.04652	0.4
204.11443	0.4
209.02939	0.4
209.19719	0.4
222.99091	0.7
225.00729	0.7
241.00241	13.6
242.00603	0.6
243.39325	0.4
253.09639	0.5
254.10217	0.6
256.99734	0.8
263.94598	0.4
267.11292	0.6
273.05466	0.4
282.13382	0.5
283.01181	1.2
289.46750	0.4
296.11697	0.5
300.02567	0.5
308.71750	0.5
395.13812	1.0
407.06583	0.4
407.13840	1.1
425.07672	15.9
425.14871	45.9
426.08017	1.6
426.15292	4.9
436.18713	0.5
439.12863	0.5
447.09128	0.4
449.19171	1.4
451.22412	0.5
466.20004	0.9
467.08701	10.5
467.15924	19.0
468.08981	1.0
468.16278	3.1
469.17212	2.8
469.23047	0.8
470.17157	0.5
480.17871	1.3
485.17068	0.4
493.07193	0.6
493.13354	0.7
511.07751	4.1
511.15231	25.9
512.07733	0.6
512.15240	2.7
512.20612	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	510.188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71016	0.5
59.01375	5.5
59.14992	0.4
61.64456	0.5
61.98802	0.5
64.60909	0.4
65.78849	0.5
71.01386	0.9
71.18751	1.2
79.95721	1.3
80.05066	1.2
80.96515	0.8
85.02936	2.6
89.02461	0.6
94.06635	0.8
95.95279	0.5
96.96022	16.3
98.95567	0.9
101.02431	0.8
106.06644	2.0
108.04563	7.7
108.08213	1.8
110.06143	3.1
113.02444	0.6
118.06628	1.0
120.01331	0.6
121.05331	1.2
122.06158	2.4
134.06143	4.6
134.09706	0.6
136.06721	0.9
136.07693	10.8
137.08080	0.6
146.06134	1.9
148.73683	0.5
150.05650	0.6
152.07191	8.9
157.04742	0.5
160.07712	2.5
162.05637	1.2
162.09267	12.3
163.09544	0.7
164.98636	0.8
180.06676	37.3
181.07030	1.6
188.07193	1.5
191.02045	0.6
202.88417	0.5
203.11702	0.5
206.08208	3.0
210.08044	0.9
215.11922	1.0
224.09566	1.3
225.10339	7.5
226.10712	0.7
237.10403	0.5
238.11119	2.1
239.11873	7.8
240.12404	1.0
241.00327	0.8
241.13475	0.7
245.13188	0.5
252.09048	1.0
253.09825	16.3
253.13483	1.6
254.10231	2.0
255.11346	1.9
257.12799	0.7
265.09808	0.5
266.10519	4.3
267.11362	11.3
268.11792	1.1
281.12921	7.9
282.13721	10.7
283.14191	1.1
293.09338	1.1
307.11017	1.0
307.52069	0.5
314.12811	0.8
325.12015	1.7
326.12692	3.7
376.16434	0.7
384.99210	0.6
408.19543	0.7
420.19324	3.3
430.17609	0.9
436.18744	4.8
438.20337	1.6
448.18747	24.9
449.19229	3.7
466.19827	100.0
467.20175	18.3
468.16232	2.1
469.17563	3.8
492.17896	0.7
510.17377	5.4
511.18561	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	511.0762
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14599	0.4
54.22472	0.5
56.12424	0.4
57.03450	17.3
58.03800	0.6
59.01380	6.8
61.98835	0.6
69.03459	1.0
71.01392	3.1
71.71838	0.8
73.02991	0.6
75.00863	0.5
79.95757	6.0
80.69527	0.4
80.96529	1.8
81.03442	0.5
83.01395	1.0
85.02961	7.0
87.00887	1.0
95.95251	3.1
96.96024	92.8
97.02968	2.0
98.95625	1.0
99.04533	12.9
100.04856	0.6
101.02457	6.5
103.00380	0.7
113.02471	1.0
120.01296	0.8
122.52742	0.4
123.00880	0.9
124.01654	1.3
125.02470	70.3
126.02802	2.2
129.02003	0.9
138.01981	1.0
138.97093	1.1
143.03468	0.7
147.03030	0.7
150.97054	0.8
152.98662	1.5
153.02011	0.9
161.04582	9.5
164.98650	4.2
165.05534	0.6
166.05055	0.5
167.03534	0.5
168.04254	0.5
175.02670	0.7
180.98149	0.7
183.06723	0.9
191.02043	3.4
197.01285	0.5
209.03014	0.6
222.99239	2.0
225.00734	0.8
241.00247	6.9
259.01181	0.5
281.73203	0.5
283.01260	2.0
287.07773	5.4
287.10651	0.9
301.10968	0.7
303.01581	0.5
323.04294	1.3
325.02145	0.7
329.08829	1.9
349.02209	1.7
367.03394	2.5
369.05048	0.7
373.04742	1.1
385.04575	2.5
409.04333	0.6
425.07251	2.5
449.07623	0.8
451.05383	1.6
462.04245	0.5
467.08334	1.3
511.07541	100.0
511.19025	4.4
512.07764	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.3
59.01377	100.0
60.01705	1.1
61.98830	2.8
71.01395	2.0
71.30332	0.3
72.99305	0.2
73.02953	0.7
73.74102	0.2
78.95934	0.2
83.01414	0.4
85.02952	1.9
89.02480	0.4
95.01390	0.2
96.96019	2.0
99.00923	0.3
101.02467	1.5
107.01398	0.3
109.02963	0.2
113.02444	0.9
121.02925	0.2
143.03566	0.2
145.89310	0.2
151.00418	1.4
161.04594	0.8
163.00340	0.3
178.99928	0.8
227.03551	0.2
237.13025	0.2
243.03072	0.8
255.02950	2.2
271.02448	4.0
283.02567	0.3
300.02756	9.1
301.03543	6.4
447.09311	14.2
467.29990	1.2
468.30475	0.2
509.22980	0.3
509.29468	0.7
526.83301	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	18.9
65.32420	0.9
69.47165	8.3
83.01353	0.8
96.96038	1.7
98.19854	1.4
107.01389	2.8
108.02209	0.9
109.02954	1.9
109.90964	0.8
121.02968	2.3
145.88358	0.8
149.05070	0.8
151.00366	10.4
163.00327	3.8
178.99855	5.1
199.81862	1.0
201.05531	1.6
227.03531	2.3
235.11444	0.8
238.87625	0.9
243.02946	4.9
254.02220	1.5
255.02960	16.3
266.54514	0.8
271.02448	34.8
272.02899	3.6
273.04053	1.4
299.02109	1.2
300.02744	71.2
301.03491	52.3
302.03934	4.3
447.09308	100.0
448.09622	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.3
56.98119	0.4
57.03445	1.0
59.01377	8.4
61.98829	4.6
69.03462	0.4
70.89079	1.0
71.01385	5.0
72.99304	0.5
73.02950	1.5
75.00871	1.5
79.95744	18.7
80.96525	1.5
83.01394	0.9
85.02962	5.0
87.00870	1.1
87.22340	0.4
88.98801	0.7
89.02472	1.9
93.03465	1.2
95.01402	0.7
95.95244	23.6
96.96022	93.5
97.02946	0.6
97.95927	0.4
98.95607	0.9
99.00876	0.5
101.02464	3.2
107.01407	0.7
109.02955	0.5
113.02476	3.0
115.92069	0.4
119.03512	0.7
120.01266	0.9
122.97613	0.6
125.02453	0.6
128.03532	0.3
129.01959	1.0
131.03439	0.6
137.02444	2.3
138.97095	2.7
140.02313	0.6
141.03098	0.6
141.95807	1.1
143.03548	0.6
143.10803	13.3
143.11937	0.8
144.11111	0.5
147.03033	0.6
150.97092	1.4
151.00372	2.0
152.98639	1.1
157.12332	0.6
161.04575	1.0
163.00426	0.5
164.98605	1.0
168.98149	0.7
177.04053	5.1
178.99907	1.2
179.05624	0.9
180.98141	1.0
182.99756	0.6
185.11922	0.4
191.02036	0.8
194.99777	0.4
197.01259	0.5
213.00737	0.8
221.06584	0.5
222.99095	0.5
225.00734	10.9
227.03383	0.5
229.14513	0.8
241.00226	10.1
242.00717	0.7
243.03143	0.8
255.03021	2.6
256.99680	7.4
259.19174	0.7
271.02448	5.3
285.18500	0.4
300.02762	10.6
301.03531	8.6
306.75635	0.4
329.17557	0.4
347.18246	0.4
361.25916	0.5
423.13242	1.0
433.19571	1.0
447.09320	20.6
449.27304	0.5
465.18753	0.9
477.18564	0.7
509.20605	100.0
509.66696	0.6
510.20996	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	509.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77769	0.6
61.98837	4.2
64.51756	0.6
65.24825	0.7
70.89208	2.2
78.95905	20.4
84.50612	0.7
96.96980	2.1
109.27804	0.6
127.96328	0.6
130.14893	0.7
146.16656	0.6
151.00325	1.1
151.51393	0.7
152.99608	32.2
156.30511	0.8
160.19397	0.7
169.42773	0.7
171.00620	1.6
196.89597	1.0
227.03215	3.9
245.04315	2.2
254.67355	0.7
255.03075	1.5
256.23523	1.4
271.02542	3.7
281.24841	100.0
282.14084	0.7
282.25214	12.7
300.02753	7.0
301.03479	4.0
417.24002	1.1
447.09317	11.5
509.28845	64.5
510.29263	11.1
515.59460	0.6
526.69873	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2062
Annotation	GW 409544
Peak:m/z	Relative Intensity
51.74523	0.2
52.77428	0.2
53.56305	0.2
54.26591	0.2
57.03446	0.7
59.01380	6.1
60.01688	0.2
60.21370	0.2
61.98520	0.3
61.98834	4.2
69.00448	0.2
69.03441	0.4
71.01385	4.0
71.73034	0.3
71.73431	0.3
72.99311	0.6
73.02934	1.2
73.85255	0.3
75.00877	1.0
78.95914	0.6
79.95747	21.6
80.96533	1.8
83.01386	0.5
83.05001	0.3
85.02961	3.4
85.47585	0.2
87.00866	0.7
89.02459	0.6
95.01393	0.5
95.95243	29.3
96.96024	59.2
97.02940	0.4
97.95981	0.3
98.95612	0.6
99.00893	0.6
101.02456	1.2
102.34100	0.2
108.02173	0.2
109.02937	0.3
113.02460	0.9
114.93420	0.4
119.05023	0.3
120.01218	0.3
121.02982	0.3
122.97600	0.9
125.02573	0.3
129.01942	0.5
135.04578	0.3
138.97095	3.0
139.04051	0.3
141.95778	0.3
145.02998	0.5
147.03012	0.3
148.05324	0.6
150.97087	10.0
151.00328	1.3
151.04019	0.4
151.96756	0.5
151.97881	5.4
152.98680	0.3
154.99925	0.3
155.10851	0.4
163.00407	0.3
163.04047	0.4
163.07671	1.1
164.98692	0.6
165.05600	0.5
166.39305	0.3
166.96573	0.3
167.14348	0.3
176.98653	0.6
177.04053	2.8
178.99892	1.0
179.10823	0.6
180.98145	0.5
183.96791	0.3
190.04860	0.2
191.02039	0.6
194.99719	0.9
198.99054	0.3
211.04097	0.2
211.13321	0.4
212.68550	0.2
213.00754	1.2
213.14934	1.1
222.99164	2.3
225.00731	0.3
226.02942	0.3
229.14465	1.0
241.00244	7.2
243.03040	0.6
249.06049	0.3
255.02936	2.3
256.99744	3.3
271.02454	4.3
283.02521	0.3
300.02747	8.6
301.03555	6.2
326.06754	0.4
377.28094	0.3
389.25235	0.3
423.13525	0.4
433.19501	0.4
434.17438	0.2
434.32059	0.3
447.09335	15.3
477.18558	0.4
479.19601	0.4
509.20657	100.0
510.20981	16.2
510.33356	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89690	0.3
55.01877	0.9
57.03450	4.8
59.01377	24.0
60.01712	1.5
61.98838	3.3
69.03450	0.6
69.12327	0.4
69.99220	0.4
71.01389	5.9
71.72482	0.5
71.72846	0.4
72.99304	1.6
73.02956	1.6
75.00875	2.0
79.95747	9.2
80.96494	1.9
83.01400	1.7
84.02167	0.9
85.02961	30.4
86.03309	0.5
87.00876	2.6
88.98824	0.4
89.02443	2.6
94.98108	0.4
95.01380	0.4
95.95263	3.2
96.96023	100.0
97.95987	0.4
98.95605	1.2
99.00891	1.4
99.04520	0.5
101.02469	3.2
103.00375	3.8
108.02191	1.0
109.06660	0.5
111.00890	0.7
113.02454	2.2
115.00381	0.4
116.92844	0.8
117.05608	2.6
117.06284	0.4
119.03487	0.4
119.05080	0.7
120.01246	1.2
121.02960	0.9
122.03782	0.5
122.97598	0.6
123.04558	0.8
125.02489	0.6
125.06085	0.5
126.24017	0.4
129.01962	3.6
131.03372	0.4
134.03745	5.7
134.97598	0.5
135.04527	0.8
136.05318	1.3
136.07701	0.5
137.02492	1.2
137.09712	0.4
138.05621	0.4
138.97058	1.5
139.00400	0.5
139.03998	0.5
143.03479	0.5
147.03011	3.6
149.06094	6.2
150.06769	0.4
150.97093	1.7
151.04071	0.7
151.07664	1.1
152.01196	2.2
152.98668	2.7
153.01971	0.6
153.09273	0.4
155.10814	2.3
161.04572	0.6
163.07701	0.6
164.98647	1.6
165.01854	0.4
165.05617	0.6
166.06412	0.8
167.03502	2.4
168.06891	0.4
169.08749	0.5
171.10268	0.5
173.00995	0.5
175.02495	0.5
178.02780	2.2
179.03502	0.5
180.06656	0.6
180.98135	1.5
181.01363	0.5
181.08731	1.6
181.82425	0.4
183.03012	0.5
191.01997	16.2
193.05074	8.1
194.05469	0.6
195.02972	0.5
195.06682	0.7
199.09785	1.2
209.03011	2.1
215.09232	1.0
215.12776	0.7
217.00259	0.4
219.59668	0.4
222.99155	1.3
225.00934	0.6
241.00232	15.2
242.00662	0.6
249.06093	0.6
253.09824	0.4
256.99698	0.9
259.01221	0.6
267.07123	0.5
283.01324	2.1
299.95090	0.5
317.19931	0.5
333.13431	0.6
341.05472	4.9
343.11911	1.0
347.11386	4.0
348.11783	0.6
377.18408	0.5
389.18143	0.6
391.13977	1.1
403.13980	0.8
423.09637	18.7
424.09836	2.7
429.13959	5.1
448.18549	0.5
449.16327	0.5
465.10736	14.4
465.17764	0.7
466.11148	1.6
466.19803	3.9
467.15891	5.1
491.08740	0.5
508.17447	0.5
509.09692	48.5
509.17148	16.1
509.29822	1.2
510.10101	7.3
510.17599	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	507.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.6
61.98820	0.3
66.55889	0.2
69.60663	0.3
69.61024	2.2
75.73471	0.2
78.95903	7.8
83.69009	0.2
88.97849	0.2
96.96959	0.6
107.65456	0.2
122.06238	0.3
152.99605	15.1
171.00648	1.5
227.03279	2.6
245.04359	1.5
252.63429	0.2
261.22159	0.6
279.23276	100.0
280.23624	11.9
281.24802	1.8
282.25143	2.1
461.54712	0.3
507.27213	34.0
508.27591	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	508.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	42.4
59.01377	32.8
60.01721	1.9
61.98832	100.0
67.66994	1.0
71.01384	11.9
71.10518	2.2
71.53369	0.9
73.02943	7.0
75.00902	1.5
79.95754	5.3
80.96551	1.7
83.01399	2.1
85.02964	17.5
87.00900	3.1
89.02460	2.3
95.01395	1.6
96.96024	44.6
98.95647	1.3
99.00887	2.3
99.04534	47.8
101.02447	15.3
103.00437	1.5
113.02463	6.6
115.00385	1.6
120.01295	1.4
121.02997	2.5
123.00889	10.0
124.01681	49.9
125.02472	25.9
126.02805	1.2
129.01933	1.4
133.47133	1.0
134.03825	1.1
137.02446	1.2
138.03246	6.9
138.05725	1.0
139.04033	66.2
140.04391	3.8
143.03537	3.2
147.03026	1.3
148.04047	1.2
149.02461	2.0
149.06027	1.7
150.03221	1.6
151.04019	1.2
152.98611	1.6
160.79041	0.9
161.04602	4.8
164.04675	1.1
165.05588	2.5
167.03523	1.1
175.00981	1.0
179.07146	1.4
181.05069	2.1
191.01958	5.6
193.05101	1.9
195.06552	1.0
203.05661	3.9
205.17137	1.0
209.03070	2.1
219.41377	1.2
241.00278	7.4
242.00568	2.0
249.05995	1.3
256.63031	0.9
267.07059	1.0
276.32831	1.1
283.01382	1.1
283.08231	12.7
301.09329	6.8
333.63983	1.0
341.05563	1.4
343.10294	13.6
353.56412	1.3
383.13440	2.9
401.14230	1.6
423.05402	2.1
423.10300	1.9
445.13467	23.8
446.13855	2.8
464.09259	1.3
465.06802	2.5
508.08707	3.3
508.16977	7.9
509.10104	9.8
509.17258	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.3
57.03469	1.2
59.01380	100.0
60.01710	1.1
60.41075	0.2
61.98835	2.7
69.03462	0.4
69.15283	0.2
71.01385	4.5
71.72463	0.3
72.99319	0.5
73.02949	1.6
75.00890	0.7
75.35851	0.2
76.24597	0.2
79.95739	1.5
80.96531	0.4
83.01402	0.6
85.02444	0.4
85.02960	6.8
85.03451	0.4
87.00897	0.8
88.04057	1.4
89.02444	1.9
93.03468	0.4
95.01430	0.5
95.95259	0.5
96.96024	15.3
98.95646	0.3
99.00907	0.4
101.02456	2.8
103.00361	0.6
109.03007	0.4
111.00922	0.4
113.02476	2.7
115.00428	0.8
116.92859	0.5
119.03541	0.6
120.01283	0.9
121.03073	0.4
123.04546	0.3
125.02497	0.8
125.06117	0.2
129.01985	0.7
130.13515	0.2
131.03622	0.3
131.07152	0.2
132.03105	0.4
133.05127	0.2
134.03748	0.2
135.04536	0.9
137.02469	0.4
138.05629	0.4
138.97105	0.5
143.03493	0.2
145.05008	0.2
146.03856	0.3
147.03040	0.6
148.04068	0.4
149.02480	0.9
149.06158	0.4
150.03255	1.3
151.03790	0.7
152.01218	0.3
152.98677	0.3
153.01979	0.4
153.05635	0.4
153.09227	0.6
160.04099	0.4
161.04614	1.6
161.05992	0.3
163.03986	0.3
164.04849	0.4
165.05598	0.8
166.06024	0.4
173.00909	0.2
175.04074	0.3
177.02037	0.3
177.04216	0.2
179.03549	0.6
179.05815	0.3
179.07201	0.2
180.04198	0.2
181.05069	2.3
191.01991	2.3
191.03566	0.3
193.05084	0.4
194.08197	0.2
195.06715	0.6
195.08574	0.3
196.07410	1.9
197.08144	0.3
198.99144	0.2
209.03101	0.6
211.09763	4.9
211.11612	0.4
212.10132	0.4
213.75388	0.3
222.99213	0.3
235.08295	0.5
241.00259	3.1
242.00801	0.3
243.05846	0.2
243.16022	0.6
247.80077	0.2
249.06137	0.4
267.07327	0.3
283.01321	1.2
285.04236	0.3
303.05402	0.4
327.00223	0.3
339.12723	0.3
343.13678	0.3
344.12125	0.3
345.10733	0.4
345.15930	1.0
360.49377	0.2
375.12170	0.3
375.16595	0.5
383.05560	0.2
387.12637	0.2
387.20230	4.2
387.24792	0.4
388.20480	0.3
392.14536	0.3
405.21542	0.8
421.08228	2.3
422.08777	0.5
427.15958	0.3
447.22461	5.5
448.22794	0.8
463.09689	1.9
464.09540	0.4
465.14844	0.2
507.08472	1.4
507.16983	7.2
508.10370	0.3
508.17258	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	507.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.3
57.45892	0.3
57.48255	0.3
59.01378	100.0
60.01716	1.4
60.99253	0.2
61.98829	0.5
71.01378	4.7
71.18685	0.7
73.02953	1.7
75.00879	0.5
79.95760	0.4
83.01407	0.8
85.02962	3.6
87.00857	0.3
88.04057	0.9
89.02456	2.7
95.01359	0.4
95.95238	0.4
96.00920	1.5
96.96018	8.7
97.98006	0.3
101.02445	3.4
104.10107	0.2
109.02989	0.5
112.57816	0.2
113.02461	2.2
115.00407	0.9
118.86547	0.2
119.03526	0.8
120.01266	6.7
122.03806	0.3
123.51478	0.3
125.02422	0.3
129.10382	0.5
131.03564	0.3
132.03017	0.6
134.03752	0.5
136.01628	0.6
138.97128	0.3
143.03476	0.4
146.06169	0.5
149.02538	0.4
149.04587	0.5
150.03246	1.0
151.03995	0.8
153.09279	0.8
161.04604	1.3
165.04271	0.3
165.05620	0.8
168.03006	0.3
179.03535	0.3
179.05721	0.3
179.07191	0.4
191.02019	1.2
192.60562	0.3
193.05145	0.6
195.06703	0.5
197.08141	0.3
206.93967	0.3
221.06758	0.3
241.00266	1.8
243.16118	0.9
253.13602	0.4
254.07178	0.3
266.06519	0.5
276.17081	0.3
281.07861	0.3
283.01157	0.6
296.10504	0.5
309.08081	0.3
311.09338	0.3
312.10074	0.6
315.12567	0.3
324.10104	0.4
327.00607	0.4
327.12292	1.7
339.12390	2.9
340.12613	0.6
345.11014	0.4
371.84952	0.3
375.16895	0.6
387.20279	3.9
388.20663	0.6
392.28659	0.3
405.21112	1.6
421.08502	0.7
447.22351	5.5
448.22592	0.8
463.09308	1.2
465.72906	0.3
489.19861	0.7
507.16223	6.0
508.16739	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	507.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.7
57.03439	4.1
59.01379	47.7
61.98823	0.8
62.55832	0.4
69.03464	0.5
69.67648	3.2
69.68059	0.7
71.01383	4.2
72.99326	1.1
73.02958	5.2
75.00887	1.3
79.95737	6.2
80.96526	3.6
81.03474	0.5
83.01398	1.1
83.05028	0.7
84.44743	0.5
85.02962	14.4
86.03301	0.5
87.00897	1.4
88.98774	0.5
89.02460	3.4
95.05006	1.1
95.95260	1.0
96.96022	86.1
98.95642	0.5
99.00920	0.8
101.02451	3.0
103.04084	0.5
109.02978	0.8
111.00915	1.6
113.02469	1.9
119.03490	0.6
120.01250	0.6
122.97609	0.6
125.02459	0.8
127.04031	1.0
129.01971	3.1
129.05606	0.7
131.03505	0.9
137.09703	0.8
138.97108	1.4
139.11308	36.5
140.11647	2.5
143.03535	0.5
145.05099	0.6
147.02975	1.3
149.04573	2.4
150.97125	0.9
151.04042	0.8
152.98605	1.1
155.10812	0.7
161.04610	0.7
163.11284	1.5
164.04828	1.1
164.98654	5.7
165.09235	1.8
179.05624	0.7
179.07143	1.0
180.98119	1.3
181.08759	0.8
181.12360	21.9
182.12621	1.5
183.10278	45.8
184.10574	3.2
191.01976	5.4
199.13414	13.3
200.13783	0.7
205.03552	1.9
216.08113	0.5
222.99226	1.0
225.11325	11.5
226.11600	0.8
241.00230	7.8
243.12358	100.0
244.12720	7.0
283.01224	1.6
357.15457	0.6
375.16605	57.4
376.16977	6.6
405.55005	0.5
421.07898	1.6
447.13464	1.2
463.09238	1.5
465.14359	40.7
466.14600	5.5
507.15189	38.3
507.20901	48.6
508.15445	6.5
508.21216	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	507.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34822	1.0
57.03439	1.6
58.02966	3.5
59.01377	49.1
61.98841	1.0
64.93287	1.0
70.02974	2.9
71.01380	3.6
71.72540	1.1
71.72958	1.2
74.02474	15.2
79.95740	3.2
80.96524	1.4
85.02962	8.4
85.06594	9.3
87.00874	1.5
89.02443	2.1
95.95232	1.5
96.96018	70.6
97.95937	1.3
98.02472	3.2
101.02470	2.9
103.00375	4.0
111.91518	0.9
113.02442	1.4
113.06093	18.7
116.03561	3.8
116.05070	8.3
120.01202	1.6
125.02478	1.2
129.01953	1.5
129.92712	1.0
131.07156	100.0
132.07460	3.4
138.97084	1.6
139.11214	1.1
142.06667	1.3
150.03224	1.8
152.98541	1.0
159.09340	1.5
165.05492	1.3
173.08200	60.7
174.08557	2.6
179.03496	2.2
180.98187	1.2
191.01985	2.6
201.10277	1.5
203.06433	1.8
203.08255	17.1
204.08563	1.2
222.99022	1.1
241.00233	18.7
243.12376	1.7
245.09305	46.2
246.09651	3.7
272.04715	1.3
283.01273	11.3
291.50049	0.9
327.00134	4.8
339.12213	1.7
355.06470	1.0
375.16553	1.4
421.04141	7.9
447.26007	1.3
449.31717	1.2
455.77026	1.1
463.05380	7.1
465.14258	3.6
507.03568	1.7
507.07721	4.7
507.14301	13.1
508.16397	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	507.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85443	0.5
57.03456	1.4
58.02963	2.6
59.01378	49.5
60.01712	1.0
61.98828	1.8
66.02457	0.5
69.03467	1.2
69.38629	2.2
69.39048	4.3
70.02976	2.4
71.01373	4.2
72.00923	1.0
72.04556	0.8
72.55945	0.6
73.02958	1.9
74.02475	17.3
75.00874	0.6
79.95738	3.2
80.96533	1.3
83.01389	0.7
85.02962	6.2
85.06603	8.3
86.03312	0.5
87.00922	0.9
89.02450	2.3
93.78947	0.5
95.95226	1.3
96.96021	45.6
98.02480	4.2
98.20599	1.1
99.00895	0.9
99.04512	0.8
101.02415	2.6
103.00374	2.3
106.34982	0.5
113.02444	1.4
113.06101	17.7
114.06440	1.2
116.03571	4.5
116.05062	5.5
120.01262	1.9
125.02460	0.9
129.01945	1.7
130.06650	0.9
131.07156	100.0
132.07498	3.1
134.03578	0.6
134.97668	0.7
135.04504	0.6
136.01646	0.7
138.05589	0.8
139.11333	0.6
142.06635	1.7
147.02986	0.6
150.97081	0.7
151.03981	1.2
152.44788	0.6
152.98700	1.0
159.09309	1.6
159.35519	0.6
161.04599	0.8
163.04132	0.7
168.98082	0.7
173.08212	59.5
174.08597	2.8
179.03529	1.3
180.98154	0.8
181.08731	0.7
191.02008	2.4
193.05035	1.8
195.06572	0.9
201.10397	1.3
203.08281	16.7
204.08600	1.3
234.38878	0.7
241.00243	14.3
242.00529	1.0
243.12404	1.7
245.09306	46.2
246.09660	4.1
272.04913	0.7
283.01324	6.4
327.00131	3.7
331.76163	0.6
339.12384	0.9
359.12021	0.6
364.38174	0.6
375.16385	0.8
392.16519	0.6
395.71869	0.5
421.03769	4.6
421.09186	1.1
463.05402	2.5
463.10492	0.9
463.21939	1.6
465.14529	1.6
507.07901	2.5
507.14572	9.7
508.08051	0.6
508.15549	1.6
525.28851	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24735	0.3
56.80638	0.3
57.03446	0.4
59.01377	1.7
61.43624	0.3
62.61878	0.3
71.01377	1.6
71.13913	0.9
72.99313	1.3
73.02951	0.3
75.00871	9.2
80.59019	0.3
82.77830	0.3
87.00884	17.9
89.02452	0.9
92.57814	0.3
96.04534	0.4
99.00878	2.8
101.02473	0.9
105.01944	18.6
106.02270	0.4
116.88947	0.3
117.01951	0.9
119.03513	0.4
129.01978	2.0
131.24049	0.4
135.03006	0.6
147.02156	0.3
147.03035	3.3
148.63022	0.3
165.04054	100.0
166.04416	3.3
209.06662	0.3
322.93823	0.4
508.10773	0.4
529.03137	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74056	0.4
55.26191	0.5
61.98832	100.0
70.57201	1.1
70.57600	1.4
71.76648	0.5
78.95906	2.6
81.11964	0.5
96.96044	1.1
102.74873	0.5
110.98552	4.1
114.04485	0.5
141.94250	0.5
152.99634	1.0
185.02219	6.8
217.68600	0.5
253.21838	1.3
270.25296	1.4
279.23776	0.5
338.19653	0.6
421.23694	0.9
465.20914	0.5
465.29349	0.6
506.21484	2.7
528.98492	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.0448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.0
57.03452	3.0
57.44999	0.3
58.00592	1.0
59.01377	46.5
60.01707	2.3
61.01821	0.3
61.37108	0.3
61.98831	1.9
63.04946	0.4
68.99831	0.4
69.03455	0.7
69.96858	2.2
71.01385	20.1
72.01724	2.9
72.99305	2.0
73.02953	6.7
74.03302	0.4
75.00873	1.2
79.95746	3.8
80.96520	1.8
83.01392	1.7
85.02959	12.1
86.00099	0.4
86.03277	0.6
87.00892	3.9
88.98824	0.6
89.02453	27.2
90.02779	3.8
91.02864	0.4
95.01375	0.5
95.05037	0.4
95.95245	0.8
96.96021	100.0
97.02978	0.6
99.00900	1.7
99.04517	0.8
101.02459	14.8
102.02792	2.6
103.00381	3.1
103.02924	0.6
109.02953	0.7
111.00912	0.8
113.02463	4.4
114.02827	0.8
119.03525	2.4
120.01228	0.6
121.03005	0.6
122.97584	0.7
123.04647	0.3
125.02467	2.1
129.01949	1.8
129.05582	0.4
131.03516	11.6
132.03853	2.8
134.97606	1.4
135.04536	0.5
136.07730	0.6
137.02477	0.5
138.01979	1.3
138.05638	0.4
138.97083	1.9
139.11314	9.0
143.03484	0.8
147.03008	1.0
149.04576	21.0
150.03154	0.5
150.03664	0.5
150.04897	5.6
150.97050	0.6
151.00407	0.6
151.03943	0.6
151.05060	0.7
152.98666	5.0
155.10762	0.7
160.04126	0.4
161.04567	1.1
163.11324	0.6
164.04846	0.7
164.98590	1.2
165.05501	0.5
165.09175	0.9
166.96556	0.6
168.06610	0.4
179.03476	1.8
179.07181	0.5
180.98099	1.5
181.12334	6.1
183.10287	12.1
184.10561	0.7
188.04781	0.4
191.02005	3.6
191.03821	0.6
191.05595	4.3
192.06003	2.7
194.99615	0.7
199.13409	4.0
205.03494	0.9
209.02954	0.3
222.99202	1.1
225.11339	3.6
225.15012	0.4
226.11737	0.4
240.54794	0.4
241.00232	50.4
242.00662	2.1
243.02858	0.7
243.12367	27.6
244.12675	1.4
245.03639	0.4
255.03029	1.3
256.03256	1.1
257.03485	0.6
271.02402	1.8
272.02792	1.8
273.03052	2.0
283.01291	29.0
284.01602	1.1
285.12613	0.8
300.02707	3.1
301.03180	4.7
302.03409	3.6
303.04117	1.2
308.64938	0.4
308.99258	0.5
315.08652	0.5
327.00284	18.6
327.08606	0.7
328.00504	1.2
375.16583	18.5
376.17035	1.0
421.04132	4.1
427.39877	0.4
447.13388	0.5
447.26419	0.4
463.05093	4.8
464.05850	0.6
465.08337	0.6
465.14352	8.3
465.26584	0.7
466.14243	0.7
489.19537	0.5
506.10031	0.8
506.27420	1.8
507.04187	6.3
507.09781	0.9
507.15253	8.3
507.20743	11.8
507.27496	0.9
508.04495	0.7
508.15665	1.1
508.21207	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	507.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.2
59.01381	9.1
61.98832	24.9
69.50568	1.8
69.50980	0.9
71.01386	4.3
72.01703	0.5
72.99313	0.5
73.02952	1.2
74.02510	0.5
75.00883	0.8
79.95747	4.4
80.96531	3.0
83.01394	0.6
85.02951	4.4
87.00869	1.4
88.04043	0.5
88.98825	0.5
89.02467	2.1
95.95253	1.1
96.96022	100.0
97.06557	0.3
97.95966	0.3
99.00902	0.7
99.04519	0.4
101.02452	2.6
103.00375	0.5
113.02468	2.7
115.00381	0.8
115.61640	0.3
116.92905	0.3
119.03561	0.4
119.05060	0.3
120.01268	0.7
122.97608	0.5
124.01723	0.3
125.02450	0.7
128.03549	0.6
129.02008	0.5
135.04539	1.1
137.02449	0.8
138.03291	0.3
138.97095	7.4
139.04102	0.4
143.03566	0.7
143.04558	0.6
146.03714	0.3
147.03006	0.8
149.02487	0.4
149.04543	0.4
150.97087	1.2
151.03954	0.3
152.98628	0.6
159.49672	0.3
161.05991	0.3
164.98676	0.7
165.05571	0.4
167.03421	0.5
168.98167	0.7
176.04807	1.0
179.03455	0.6
180.98201	0.6
188.04747	0.6
191.01965	1.4
191.03545	1.2
206.05843	0.6
209.03011	0.8
220.03773	6.2
221.08173	0.9
222.99144	1.7
235.06061	4.3
236.06400	0.4
241.00229	33.0
242.00505	1.3
249.06180	0.5
250.04848	1.0
265.07162	7.8
266.07437	0.9
267.07211	0.8
267.09952	0.3
283.01291	1.3
301.07193	1.1
306.07596	0.9
344.17419	0.3
421.08099	2.0
427.12457	0.4
429.18359	0.5
443.14035	0.4
443.19061	2.0
444.19559	3.8
445.19888	0.4
447.22433	0.7
463.09735	1.7
463.21854	0.5
507.08099	65.0
507.16479	4.4
508.08459	9.2
508.15952	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26471	0.3
57.03448	14.3
59.01381	8.0
61.98830	100.0
69.03473	0.4
69.58848	2.2
69.59281	0.9
71.01387	1.7
71.29800	0.3
73.02948	1.1
79.95750	1.0
80.96540	0.5
82.62035	0.3
83.01407	0.7
84.02190	0.4
85.02957	6.3
89.02459	0.6
95.95285	0.4
96.96019	29.0
99.04529	10.1
101.02456	4.6
103.00386	1.2
107.18364	0.3
111.00895	0.5
113.02480	0.8
123.03289	0.8
125.02462	6.9
129.01981	0.9
134.97612	0.6
138.05624	33.8
138.97133	0.4
139.05971	1.6
143.03551	0.7
147.02998	0.6
151.04079	0.5
152.98691	1.4
153.50117	0.3
160.38846	0.3
179.03490	0.7
180.98160	0.5
181.12363	0.5
183.10353	1.1
191.02014	2.5
194.99779	0.5
199.13402	0.4
205.03584	0.4
241.00223	14.2
242.00580	0.6
243.12285	2.1
282.09814	3.3
283.01297	7.3
283.10287	0.4
284.01508	0.5
300.10837	3.5
319.28943	0.4
327.00250	5.0
342.11993	1.5
375.10934	0.4
375.16681	1.7
382.15033	1.0
421.04333	0.9
427.87592	0.4
444.15121	5.2
445.15567	0.6
447.26041	0.4
463.05551	1.3
464.05902	0.4
465.14417	1.4
496.10464	0.3
506.20050	0.4
507.04367	1.8
507.14175	2.3
507.20807	2.1
507.28320	0.7
508.05249	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.8
59.01379	30.2
59.15118	0.5
60.60568	0.6
61.98825	1.0
69.98878	2.1
70.02972	0.6
71.01389	16.6
72.01711	0.6
75.00874	0.5
79.86784	0.5
79.95724	1.1
85.02947	2.7
88.04047	35.1
89.02454	1.3
89.04366	0.6
93.03468	1.8
96.96017	9.4
101.02434	1.6
107.53212	0.5
108.02190	0.9
113.02531	0.7
114.01933	1.2
115.00392	21.1
116.00720	0.8
120.01223	0.5
121.02974	4.5
122.03774	6.2
123.04558	3.5
124.01585	0.8
132.03033	9.7
132.03951	0.4
133.02908	0.7
134.03766	3.8
135.04543	7.9
136.01640	0.8
136.05316	0.9
137.02481	0.6
145.02957	4.3
146.03738	1.8
149.02464	15.0
149.04958	0.5
149.06082	9.3
150.03242	49.3
151.04031	8.7
161.06126	1.5
162.03284	0.7
163.04068	0.6
164.04807	3.7
164.07231	0.5
165.05586	46.4
166.05942	2.9
177.05525	0.8
178.05084	1.0
179.05865	7.0
180.04309	4.3
180.06650	4.0
181.05051	4.0
182.05666	0.5
183.34303	0.6
188.78026	0.5
191.01956	0.6
192.06789	0.5
194.08255	9.4
195.06635	19.8
196.06963	1.2
220.09903	1.1
220.29733	0.5
234.07768	0.9
241.00075	1.3
247.54163	0.5
265.09308	0.7
266.10287	2.5
283.09772	1.0
309.08536	7.9
310.08881	1.3
311.09274	2.2
312.09869	0.8
315.12411	1.8
324.10806	1.1
325.10864	0.9
327.11877	3.5
328.11902	1.8
342.13397	4.2
343.11600	2.9
387.20401	1.5
390.15546	4.1
391.13953	12.8
392.14310	1.4
414.15808	2.7
415.15945	0.6
426.15515	2.2
444.16846	1.6
447.22302	1.4
463.09320	0.8
488.15579	1.5
500.02884	0.6
506.16638	100.0
507.16687	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	506.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57142	0.4
57.03437	0.5
58.02963	1.2
59.01382	24.1
61.98837	3.0
62.59657	0.4
70.02987	0.4
70.17516	0.4
71.01384	16.4
71.03168	0.9
71.03483	0.5
73.02950	1.1
73.69043	0.4
75.00867	0.5
79.95754	1.1
83.82958	0.4
85.02948	2.7
87.00868	0.5
88.04051	44.2
89.02460	0.9
89.04386	0.4
93.03465	1.2
96.96023	14.1
101.02438	1.0
103.00364	0.5
108.02191	1.6
109.02924	0.5
113.02438	1.4
114.02007	1.0
115.00390	20.8
115.99458	0.4
119.05015	0.5
120.01262	0.7
121.02965	5.6
122.03768	3.5
123.04540	3.5
129.01950	0.6
132.02110	0.7
132.03050	10.8
133.02992	1.4
134.03755	4.7
135.04546	6.7
136.01709	0.5
136.05350	2.0
137.02428	0.5
137.06082	0.6
139.03922	0.4
145.02969	3.4
146.03755	1.8
147.03053	0.5
147.04538	0.8
149.02463	22.0
149.04907	0.7
149.06079	6.6
150.03242	32.9
150.97076	0.4
151.04047	7.2
152.98648	0.4
153.09270	0.5
160.04044	0.9
161.02521	0.7
161.04622	0.8
161.06134	1.3
162.03297	0.7
163.04021	0.6
164.04813	6.6
164.07132	0.7
165.05585	21.4
166.06026	0.8
177.04227	0.5
177.05598	1.3
178.05023	0.6
179.05879	9.0
179.07208	0.4
180.04300	2.4
180.06670	4.7
181.05090	2.6
193.05147	0.6
194.08224	9.2
195.06647	9.7
195.08348	0.4
196.07042	0.7
220.09830	0.7
234.07709	1.1
235.59253	0.5
241.00264	3.9
265.09500	0.7
266.10330	2.6
279.06247	0.5
283.01300	1.2
283.09747	2.6
298.10779	0.6
299.02777	0.5
309.08578	4.6
310.08588	1.1
311.09293	2.3
315.12344	0.7
315.19537	0.4
320.11301	1.1
324.10809	0.7
325.10922	2.5
327.00528	0.5
327.11172	5.4
328.11829	5.4
329.12070	0.6
339.12329	0.9
342.13480	14.5
342.17664	0.7
343.11731	12.7
344.12064	1.1
345.11017	0.8
358.95349	0.5
376.13977	1.3
382.12592	0.8
387.20181	0.7
390.15598	5.7
391.13950	16.0
392.14246	2.1
405.20999	0.6
414.15518	2.4
421.08124	3.6
426.15518	1.9
427.16281	0.7
444.16663	1.2
447.22388	1.0
462.17511	0.5
463.09244	3.7
488.15787	1.8
506.16635	100.0
507.08325	1.5
507.16833	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1568
Annotation	(+)-Duocarmycin A
Peak:m/z	Relative Intensity
50.19879	0.4
54.66425	0.6
56.36676	0.5
57.03451	2.1
59.01377	16.9
60.99318	0.5
61.98824	1.4
69.03468	0.4
69.77413	3.6
71.01382	4.6
72.99320	0.7
73.02972	2.2
74.02483	0.5
75.00866	1.3
79.95742	2.0
80.05041	1.8
80.96521	0.5
83.01379	1.2
85.02956	12.1
87.00870	1.2
88.98805	2.0
89.02436	1.2
92.05074	0.5
93.03455	0.9
95.01403	0.6
95.95234	1.3
96.96020	22.2
97.94856	0.4
98.19824	0.5
99.00899	0.9
101.02469	2.6
104.05070	6.7
106.06641	15.2
107.06966	0.6
108.04559	2.8
108.08195	1.6
111.00883	0.7
113.02441	1.8
115.00429	0.6
119.03464	0.6
119.05057	0.7
120.01250	0.4
120.04568	1.5
121.02956	1.7
122.06113	4.0
123.04508	0.6
128.71091	0.4
129.01936	1.9
131.03511	0.5
132.04553	0.6
132.08189	1.0
134.03767	0.7
134.06146	7.4
134.09753	1.8
135.04510	0.8
137.02429	1.7
138.97101	0.8
139.11279	0.9
147.03030	0.9
148.04060	51.0
149.02431	0.5
149.04381	2.8
150.05609	4.2
150.97078	0.8
152.07170	3.7
155.10704	0.7
160.04059	16.4
160.07680	0.4
161.02429	0.4
161.04530	1.9
162.05592	3.3
166.05110	25.1
167.05435	1.4
173.06071	0.6
174.05594	0.7
175.02394	0.5
176.07216	3.1
178.05092	7.0
179.05557	0.6
181.12321	1.1
183.10257	1.5
186.31395	0.5
191.01971	5.5
193.03709	0.7
196.06419	0.5
204.06636	0.5
209.02998	0.7
210.04002	3.4
211.08818	2.5
212.07214	0.8
213.08006	0.6
223.08900	0.5
224.09456	0.7
225.11237	0.7
225.14966	1.2
226.07520	0.5
226.15292	2.1
227.11844	3.6
239.08109	2.2
239.11826	1.0
240.10387	0.9
241.00275	2.7
241.09819	5.3
242.10135	0.5
243.12352	2.6
251.11887	1.0
252.08992	1.5
253.09749	5.5
254.10588	1.7
255.07745	0.6
257.12888	0.8
266.10526	0.5
267.07965	0.7
267.11334	4.7
268.07715	0.6
268.11572	0.5
269.12927	6.8
270.13342	0.5
277.09900	2.9
283.10825	1.9
295.10898	7.3
296.11197	0.6
299.10217	2.1
301.02921	0.6
301.11832	2.4
311.10358	3.3
313.11932	18.5
314.12292	2.1
327.09811	6.4
327.13275	0.8
330.16275	0.7
339.09869	0.9
342.14346	0.5
345.10910	42.2
346.11163	3.5
353.11563	0.7
355.09091	1.0
359.15396	0.4
362.17065	0.6
365.05530	0.5
371.12466	3.5
375.16479	1.8
388.24133	0.5
434.13345	1.0
446.13232	0.6
462.16306	1.4
465.14365	0.9
465.26862	0.5
472.15936	0.6
488.14444	2.2
506.15506	100.0
507.15314	32.3
507.28094	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	505.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.5
58.05127	0.9
59.01379	100.0
64.05598	0.8
70.56458	3.9
71.01379	5.6
73.02940	3.5
75.00867	1.5
79.95728	1.0
83.01375	1.3
85.02963	6.8
89.02432	2.1
95.78094	0.9
95.97356	1.1
96.96016	13.2
99.04490	0.9
101.02448	3.2
103.00381	1.1
113.02471	2.3
119.05029	1.6
134.03749	1.2
137.06079	1.7
149.04565	2.2
155.10625	1.1
160.04074	1.0
167.03442	1.1
175.00316	1.8
181.08727	1.1
181.12315	2.5
190.02740	4.8
205.05099	6.0
207.13951	1.7
209.11795	2.3
225.11346	2.4
225.14963	88.9
226.15294	6.7
227.12929	1.9
241.00246	1.4
269.13947	20.7
270.14261	2.4
287.14996	3.4
325.10696	1.1
329.16064	34.2
330.16418	2.8
367.10248	2.5
419.19171	1.2
445.24655	2.0
461.20227	11.7
462.20651	1.4
463.25540	2.6
469.17303	1.5
505.17715	5.0
505.26349	4.6
506.17087	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	505.257
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.9
69.71596	1.6
69.72013	0.6
71.01368	0.4
78.95908	10.3
91.20838	0.2
96.96980	0.8
100.81193	0.3
113.06039	0.3
123.25614	0.2
127.07652	0.3
130.50591	0.3
152.63396	0.3
152.99602	19.2
153.99866	0.2
165.91330	0.2
171.00635	1.6
205.19644	0.3
227.03282	2.6
233.22708	0.5
245.04263	1.6
259.20532	0.6
275.20038	0.3
277.21719	100.0
278.22055	13.0
280.23569	0.4
390.74786	0.3
505.25677	38.7
506.26010	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	505.257
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.8
61.98836	2.6
65.80940	0.4
71.49470	0.4
71.49800	0.6
76.37481	0.5
78.92259	0.4
78.95910	26.8
83.86755	0.4
96.96984	2.2
104.76473	0.3
150.98048	0.8
152.99606	40.5
153.99947	1.1
171.00623	2.1
221.28535	0.4
227.03252	5.8
233.22954	0.6
245.04308	1.7
259.20627	0.6
275.19998	0.8
277.21719	100.0
278.22061	9.6
373.09735	0.4
413.21152	0.9
505.25699	74.6
506.26016	12.0
506.33566	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3014
Annotation	Ile-Leu-Val-Tyr
Peak:m/z	Relative Intensity
53.36456	0.3
55.00449	0.3
55.01881	0.8
55.19556	0.3
57.03443	2.0
57.08096	0.3
57.31267	0.3
58.00574	0.5
59.01376	10.9
61.98824	5.1
66.86964	0.3
67.01900	0.4
69.03457	0.6
70.08987	1.4
71.01387	15.3
72.01728	0.5
72.99313	4.2
73.02943	1.3
75.00876	13.5
78.95906	0.3
83.01410	1.2
85.02959	18.7
86.03306	0.5
87.00887	5.1
89.02451	4.5
91.04017	0.6
95.01411	4.7
96.96021	0.6
99.00890	8.7
101.02473	0.6
102.13639	0.3
103.00387	2.0
111.00890	0.8
112.01688	0.4
113.02464	22.7
114.02799	0.6
115.00392	1.6
117.01962	2.1
127.66773	0.3
129.01947	1.3
131.03534	0.7
139.00357	0.3
149.04564	0.5
151.09845	0.3
157.01443	0.6
175.02464	2.6
176.29672	0.3
193.03500	0.4
205.07196	2.0
207.05070	0.4
223.08220	1.1
231.05093	0.8
249.06122	5.7
250.06477	0.4
255.23280	67.1
256.23639	7.1
267.07196	5.8
268.07559	0.4
269.24872	0.4
487.29083	2.3
499.76065	0.3
505.30130	100.0
506.30493	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	505.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.0
57.03444	2.3
59.01378	100.0
60.01698	0.9
61.98816	1.2
62.01029	0.7
69.03458	1.2
69.70734	5.6
71.01388	5.4
72.99321	1.5
73.02952	13.7
75.00878	5.8
79.95748	1.6
82.89808	0.8
83.01425	0.8
85.02956	8.7
87.00887	2.7
89.02467	2.5
95.01431	1.4
96.96017	15.7
98.19996	1.5
99.00905	2.3
99.04521	1.3
101.02462	1.7
103.00400	1.2
108.02151	3.7
113.02463	4.2
115.00425	1.0
117.80273	0.7
119.05022	0.9
119.37810	0.8
123.04574	1.4
129.01996	2.2
132.02246	1.1
134.03775	1.1
135.04549	1.6
146.49438	0.9
147.03026	1.0
149.04634	2.6
152.01176	6.7
160.01750	4.5
161.02441	1.2
163.11313	1.3
165.04123	2.6
167.03496	10.7
175.02664	1.2
175.04008	5.2
177.05507	0.8
181.12355	5.6
187.74530	0.7
191.01949	0.8
207.13901	2.0
209.11888	2.7
225.11635	11.4
225.14961	89.5
226.11766	1.4
226.15315	6.0
227.12949	2.2
241.00351	1.4
249.06055	3.6
255.16078	2.4
269.13922	20.1
270.14294	1.3
270.52066	0.8
271.02457	0.9
287.15060	3.1
300.02823	1.4
323.07944	1.0
329.16046	34.3
330.16586	3.4
337.09396	5.7
355.12585	0.8
357.15439	3.4
357.19339	0.9
373.14981	3.6
387.23965	1.3
401.18243	1.5
461.20276	14.5
462.20889	1.6
504.63391	0.9
505.03210	1.2
505.13358	2.3
505.23569	23.1
506.23489	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	504.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.3
59.01381	9.3
60.72926	0.6
61.98821	1.8
71.01385	18.1
71.71900	0.7
71.72321	1.0
73.02940	1.4
75.00896	1.0
79.95753	1.4
80.88177	0.6
84.04573	0.8
85.02956	4.0
87.00885	1.1
88.04050	1.2
89.02467	1.2
93.03477	2.8
96.95439	1.1
96.96019	10.7
98.95555	0.9
101.02457	1.5
108.02203	1.2
109.02922	0.9
113.02448	1.4
114.01984	12.6
114.05596	0.8
115.00390	21.2
116.00743	0.7
121.02968	9.6
122.03780	8.7
123.04532	3.3
124.01617	0.7
132.03059	1.5
133.02963	1.1
134.03767	21.6
135.04576	1.1
136.01656	1.3
137.02493	1.1
139.03999	0.8
145.02965	0.8
147.04422	0.8
149.02461	26.3
149.04893	0.9
149.06107	18.5
150.03246	64.2
151.03979	5.3
160.01694	1.6
160.04042	1.5
161.04675	1.0
161.06056	1.3
162.03221	0.6
162.06760	0.7
164.04817	5.6
165.05591	58.3
166.05945	3.4
174.05589	1.2
175.04015	2.4
176.03523	2.5
176.07228	0.8
177.04295	4.9
178.02699	1.9
180.04317	4.7
181.05139	2.9
191.01958	0.8
192.06694	6.8
193.05092	14.2
194.05360	1.0
195.06656	19.2
197.08008	0.6
203.05923	1.1
204.06656	1.4
209.03156	0.8
218.08223	2.2
223.06047	0.7
241.00171	0.9
244.06029	0.7
246.07729	3.0
248.07120	1.0
249.05771	1.0
263.07916	1.5
264.06424	0.6
264.08817	7.9
265.06973	0.8
267.06940	0.9
271.23581	0.7
277.07407	1.5
281.06918	1.3
282.08722	1.7
293.06903	2.2
294.07678	1.7
296.09280	2.8
310.07498	1.5
325.09561	6.4
326.10184	1.7
340.11923	7.9
341.10181	7.5
342.10617	1.1
385.11826	0.6
388.14005	3.3
389.12430	6.0
390.12305	0.7
394.13016	2.3
410.51819	0.7
412.14020	14.3
413.14413	2.0
460.16080	4.3
461.16193	1.1
486.13547	0.8
504.15079	100.0
505.15421	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	503.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39336	0.4
59.01389	0.8
59.64743	0.3
61.98829	0.9
67.01033	0.4
69.15855	0.3
69.40411	0.8
69.40820	4.0
78.74549	0.4
78.95908	42.8
96.96976	3.8
97.06624	0.7
98.29825	0.3
111.08160	0.5
131.69501	0.4
150.98051	0.6
152.99608	55.3
153.99965	1.1
159.90605	0.4
171.00656	19.1
173.13554	0.4
204.99953	0.4
227.03308	2.8
231.21182	27.1
232.21429	2.9
241.63313	0.4
245.04306	100.0
245.19069	0.7
246.04620	3.3
275.20154	45.1
276.20477	5.0
323.75583	0.4
385.01318	0.4
426.21381	0.4
433.64447	0.4
503.24130	33.4
504.24533	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.6
59.01365	1.1
61.98830	2.2
66.03487	12.8
68.01409	2.6
68.99834	0.6
69.74608	3.5
71.01380	2.1
78.95934	0.9
81.02226	0.9
82.02988	29.5
83.01407	1.1
83.03317	0.8
92.05043	0.6
94.02988	4.6
95.01411	0.6
96.00912	0.5
96.04563	1.1
96.99303	0.4
108.04562	0.7
110.02492	100.0
111.02016	10.9
111.02817	3.2
120.04536	3.2
122.02502	6.8
134.02510	1.0
136.04031	1.9
138.02039	0.9
138.05595	0.6
140.03558	9.7
141.35019	0.5
152.03529	0.7
153.03088	9.5
164.03575	5.2
182.04582	10.0
200.05566	1.1
225.05244	0.9
253.21724	0.7
267.23218	1.4
277.21710	13.7
278.22147	1.8
370.24045	0.5
442.26044	0.7
460.27042	8.4
461.27365	1.7
503.27603	25.8
504.27780	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	504.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.3
59.01381	9.3
60.72926	0.6
61.98821	1.8
71.01385	18.1
71.71900	0.7
71.72321	1.0
73.02940	1.4
75.00896	1.0
79.95753	1.4
80.88177	0.6
84.04573	0.8
85.02956	4.0
87.00885	1.1
88.04050	1.2
89.02467	1.2
93.03477	2.8
96.95439	1.1
96.96019	10.7
98.95555	0.9
101.02457	1.5
108.02203	1.2
109.02922	0.9
113.02448	1.4
114.01984	12.6
114.05596	0.8
115.00390	21.2
116.00743	0.7
121.02968	9.6
122.03780	8.7
123.04532	3.3
124.01617	0.7
132.03059	1.5
133.02963	1.1
134.03767	21.6
135.04576	1.1
136.01656	1.3
137.02493	1.1
139.03999	0.8
145.02965	0.8
147.04422	0.8
149.02461	26.3
149.04893	0.9
149.06107	18.5
150.03246	64.2
151.03979	5.3
160.01694	1.6
160.04042	1.5
161.04675	1.0
161.06056	1.3
162.03221	0.6
162.06760	0.7
164.04817	5.6
165.05591	58.3
166.05945	3.4
174.05589	1.2
175.04015	2.4
176.03523	2.5
176.07228	0.8
177.04295	4.9
178.02699	1.9
180.04317	4.7
181.05139	2.9
191.01958	0.8
192.06694	6.8
193.05092	14.2
194.05360	1.0
195.06656	19.2
197.08008	0.6
203.05923	1.1
204.06656	1.4
209.03156	0.8
218.08223	2.2
223.06047	0.7
241.00171	0.9
244.06029	0.7
246.07729	3.0
248.07120	1.0
249.05771	1.0
263.07916	1.5
264.06424	0.6
264.08817	7.9
265.06973	0.8
267.06940	0.9
271.23581	0.7
277.07407	1.5
281.06918	1.3
282.08722	1.7
293.06903	2.2
294.07678	1.7
296.09280	2.8
310.07498	1.5
325.09561	6.4
326.10184	1.7
340.11923	7.9
341.10181	7.5
342.10617	1.1
385.11826	0.6
388.14005	3.3
389.12430	6.0
390.12305	0.7
394.13016	2.3
410.51819	0.7
412.14020	14.3
413.14413	2.0
460.16080	4.3
461.16193	1.1
486.13547	0.8
504.15079	100.0
505.15421	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	501.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.7
59.01380	100.0
60.01720	1.0
61.98847	1.0
61.99117	0.2
69.03465	0.4
71.01378	2.7
73.02953	1.2
75.00875	0.9
77.57388	0.2
78.95902	0.5
79.95747	0.6
80.96516	0.3
83.01418	0.4
83.05013	0.3
85.02958	2.8
87.00893	0.7
87.04550	0.3
88.04053	0.3
89.02458	1.2
93.03488	0.4
95.01384	0.3
95.05046	0.3
95.95269	0.3
96.96026	10.1
96.96980	0.4
97.06595	0.3
98.20644	0.4
98.95628	0.6
99.00920	0.5
99.04541	0.3
101.02460	1.1
103.00368	0.2
106.56622	0.2
109.02959	0.2
111.00909	0.3
113.02451	1.1
119.05059	0.2
120.01297	0.3
123.04514	0.2
123.08179	0.3
125.02477	0.2
129.01953	0.3
129.56110	0.2
131.03586	0.4
137.02509	0.5
138.97098	0.4
141.09267	0.6
143.03558	0.2
147.03044	0.5
149.04565	0.4
149.06129	0.2
161.04533	0.5
163.04056	0.2
165.02907	0.2
165.04037	1.1
167.10872	0.2
179.10788	0.3
189.02055	0.2
191.02094	0.4
205.12279	1.1
207.13979	0.2
209.03123	0.3
223.13501	0.3
224.10780	0.2
241.00294	0.8
242.08359	0.2
267.07297	0.3
274.60489	0.2
309.13470	0.3
315.04092	1.0
369.22919	1.7
370.23254	0.3
399.23712	0.2
415.16495	1.7
421.24506	0.5
457.17151	1.1
499.93823	0.2
501.24649	2.4
502.26096	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42914	0.1
59.01368	0.2
60.68170	0.2
61.98829	100.0
63.31499	0.1
69.96604	0.2
69.96997	0.9
72.99290	0.1
78.95935	0.3
88.42084	0.1
98.20591	0.2
142.90524	0.1
226.00148	0.2
253.21764	0.3
277.21652	0.7
278.22083	0.8
367.20752	0.2
388.71274	0.1
482.58572	0.2
502.28314	0.2
503.28500	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
57.85950	0.2
60.59906	0.2
61.98830	100.0
64.66916	0.2
70.60169	0.7
88.83626	0.2
89.66896	0.2
123.95086	0.2
180.10440	0.2
190.40414	0.2
212.57312	0.2
247.22456	0.2
492.09552	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.1
59.98496	0.1
61.98828	0.1
71.01372	0.2
71.64839	0.1
78.95909	7.2
83.05036	0.2
96.97005	0.1
97.06575	0.1
97.85313	0.0
99.04491	0.1
113.06129	0.1
127.07670	0.3
141.09253	0.0
152.99597	0.7
168.04333	1.8
171.00694	0.1
205.19582	0.1
224.06956	1.3
225.07193	0.0
233.15649	0.1
233.22710	0.3
242.08002	3.4
243.08307	0.1
259.20688	0.5
260.20889	0.1
275.20108	0.3
276.20554	0.1
277.21716	100.0
278.22049	11.4
502.29370	11.0
503.29672	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	501.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	0.5
57.03449	0.8
58.76878	0.2
59.01379	100.0
59.85913	0.2
60.01718	1.3
61.98830	0.7
69.03481	0.4
70.75151	0.4
70.75544	0.3
70.90056	0.2
71.01387	2.9
72.99306	0.2
73.02951	1.8
75.00877	1.5
78.95911	0.6
79.95742	0.8
83.01412	0.4
85.02966	3.6
87.00897	0.6
88.04054	0.5
89.02451	1.4
91.63699	0.2
96.96021	8.3
96.96976	0.3
98.95626	0.5
98.96473	0.2
99.00908	0.5
99.04523	0.4
101.02464	2.3
103.00391	0.3
108.08391	0.2
111.00982	0.3
111.52977	0.2
113.02439	1.6
115.00404	0.3
119.05063	0.4
122.64211	0.2
125.02448	0.4
126.63795	0.2
128.03584	0.3
129.02017	0.7
131.03539	0.4
134.03717	0.2
135.04596	0.4
135.08218	0.5
143.03531	0.2
147.03070	1.1
149.04623	0.5
151.07677	0.3
161.04666	0.5
161.13411	0.6
163.03935	0.3
165.04068	2.6
191.02045	0.7
195.06654	0.4
205.12352	3.8
206.12738	0.3
209.03021	1.4
223.13522	0.5
241.00229	0.5
249.06100	0.3
249.11411	0.9
267.07300	0.6
267.12378	0.3
285.12448	0.3
309.13446	1.2
353.16238	0.3
369.22998	0.3
415.16315	2.2
421.24484	0.8
457.17627	1.4
483.32846	0.3
501.19598	3.0
501.34647	0.5
502.30762	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31626	0.2
52.25767	0.2
55.01870	0.8
57.03447	5.7
58.00583	0.7
59.01378	17.1
61.98827	1.4
67.01895	0.6
68.76910	0.2
68.99806	1.0
69.03459	5.1
71.01382	12.5
71.05018	1.8
71.41977	0.4
71.42316	0.3
72.98938	0.4
72.99311	5.0
73.02941	1.0
75.00876	14.3
79.95732	0.3
81.03497	0.4
83.01387	0.8
83.05016	0.3
85.02957	18.4
85.06592	0.7
86.03323	0.4
87.00884	4.8
89.02459	2.8
91.04000	0.5
93.03504	0.6
95.01398	3.7
96.96033	2.3
97.02975	0.5
99.00888	8.1
99.04529	7.2
100.01206	0.3
101.02442	1.1
103.00367	1.6
109.02967	0.3
111.00896	1.0
111.04675	0.3
112.23906	0.3
113.02461	17.4
114.02796	0.5
115.00394	1.8
117.01965	1.9
129.01974	1.5
131.03514	0.4
137.09773	0.3
139.00385	0.3
145.01479	0.3
147.03024	0.4
157.01457	0.8
175.02466	2.2
179.14511	0.4
181.12286	0.5
182.67975	0.2
189.04053	0.6
189.16550	0.3
191.01971	1.0
191.14470	0.4
207.17549	0.6
231.05037	1.5
249.06149	18.5
250.06497	1.0
251.16512	33.3
252.16850	3.9
267.07196	4.5
332.42426	0.3
455.20609	0.3
483.22202	1.6
486.10309	0.3
501.23386	100.0
502.23755	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.1
57.03449	7.8
58.00588	1.8
58.30793	0.5
59.01380	72.1
60.01707	0.5
61.98838	2.3
63.28705	0.4
67.01885	0.8
68.99825	0.8
69.03471	1.8
71.01388	33.6
71.05026	0.9
71.73322	0.8
72.01717	0.7
72.99313	7.6
73.02956	5.9
75.00880	14.7
78.95892	0.9
79.37383	0.5
79.95764	1.6
81.03474	1.3
83.01393	4.2
83.05064	1.4
84.02192	0.8
85.02959	47.3
86.03307	1.6
87.00886	9.2
87.04536	2.5
88.01240	0.5
88.10002	0.5
89.02449	9.5
95.01399	8.2
95.05054	0.6
96.96022	13.3
96.96964	0.9
97.02986	1.3
97.06606	1.9
99.00888	11.5
99.04539	4.0
101.02457	10.3
103.00384	3.1
107.05010	0.5
109.06592	0.6
111.00882	2.5
111.04556	0.9
111.08186	0.7
112.01696	0.8
113.02464	37.1
114.02800	1.1
115.00414	2.2
117.01982	2.1
119.03561	1.5
121.06636	1.8
121.36948	0.5
125.02483	1.8
127.03986	0.9
129.01945	4.1
131.03525	1.8
137.09744	0.9
138.97084	0.7
141.12915	0.8
143.03543	1.6
145.03021	1.4
147.03043	2.1
149.04601	1.2
157.01439	1.3
160.01756	1.2
161.04608	2.6
163.11259	1.1
165.12865	5.5
169.12381	0.7
175.02527	3.7
175.04042	1.7
179.05615	0.7
180.98071	0.5
183.14021	0.7
187.06255	1.0
189.12851	4.0
191.02003	6.8
191.10823	1.6
193.03568	3.8
195.06660	1.0
199.13492	0.5
205.07178	3.0
207.13882	6.9
209.11824	7.7
210.12125	0.9
223.08215	0.7
227.16568	0.5
228.99973	0.5
229.18074	1.2
231.05081	1.2
241.00282	0.8
249.06158	7.0
249.59732	0.5
251.12961	2.5
267.07275	3.7
268.07431	0.6
269.14026	1.4
291.07288	1.2
295.22946	0.7
309.08197	3.7
309.24393	0.8
321.24426	1.2
339.25455	2.8
341.27368	0.5
357.26511	4.0
363.25436	0.5
369.22882	0.9
372.27570	0.7
381.26440	3.0
439.19861	1.6
457.20798	9.4
458.21002	1.6
459.18781	1.0
483.18713	16.0
484.19116	2.7
501.19968	100.0
501.30850	22.6
502.19913	16.5
502.31061	3.4
503.15500	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.9
57.03448	4.7
58.00612	0.8
59.01380	56.4
60.01733	0.9
60.36317	0.4
61.98829	0.8
65.87086	0.4
67.01889	0.7
68.99840	0.5
69.03435	0.9
69.65276	2.4
69.65692	1.0
70.12280	0.3
71.01391	16.9
72.01734	0.4
72.99312	4.9
73.02956	2.3
75.00880	12.3
79.95754	0.4
80.02690	0.7
83.01394	1.6
83.05067	0.4
84.02158	0.5
85.02959	29.5
87.00880	6.4
89.02451	4.0
95.01399	5.2
95.05061	0.6
95.95267	0.4
96.96024	6.2
97.02982	0.4
98.20023	1.4
98.95613	0.7
99.00896	9.5
99.04520	3.3
101.02451	1.4
103.00376	2.0
111.00906	1.2
112.01676	0.6
113.02463	23.7
114.02799	0.7
115.00410	1.6
116.92809	0.4
117.01986	2.3
121.06601	0.8
127.04037	0.7
129.01965	2.5
131.03503	0.7
139.00304	0.5
146.94073	0.4
147.03014	0.9
157.01463	0.8
161.04604	0.9
165.12885	2.8
175.02481	1.9
187.06152	0.7
189.12868	4.8
191.01974	5.0
191.10789	1.0
193.03549	1.5
205.07121	2.6
207.13924	7.0
208.14291	0.6
209.11809	5.0
213.91591	0.5
231.05038	0.9
233.11839	0.9
241.00226	0.6
249.06128	7.2
251.12907	2.4
267.07190	1.8
269.13971	2.8
291.07251	0.8
309.08258	4.4
415.16583	0.6
423.34952	0.5
439.19733	3.9
447.46878	0.4
457.20743	6.3
458.21210	1.0
483.18668	16.4
484.19089	2.8
501.19678	100.0
502.13300	0.9
502.20068	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	501.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82581	0.5
55.01879	4.2
57.03443	1.8
58.00595	0.5
59.01379	100.0
60.01731	1.0
61.98834	8.2
69.03452	0.8
69.17728	0.5
70.25433	0.5
71.01385	9.7
71.05019	0.7
71.73317	0.9
72.99310	0.8
73.02943	5.0
75.00883	13.1
78.95925	1.0
79.95753	2.5
80.96540	0.7
83.01387	1.6
83.05028	0.6
85.02957	7.9
87.00888	3.6
87.04523	0.8
88.04051	1.2
88.98846	0.6
89.02448	3.3
95.01422	1.1
95.95280	1.3
96.96021	41.6
98.95614	1.8
99.00903	1.2
99.04572	1.0
101.02448	6.2
102.05632	1.0
103.00392	3.2
105.02003	0.6
111.00938	0.9
113.02477	4.2
117.02004	0.5
123.08267	0.6
128.03572	0.8
128.07246	0.5
129.01944	6.5
131.03548	0.9
134.61665	0.6
135.04567	0.8
136.07751	0.6
137.02527	0.8
138.97118	1.7
141.09317	1.0
145.02884	0.5
146.04610	1.0
147.03026	7.6
149.04633	0.8
149.06259	0.5
150.97139	0.8
151.45615	0.6
160.71442	0.5
161.02502	0.6
161.04619	0.7
161.09804	0.7
161.13387	4.1
163.04013	0.6
164.98712	0.9
165.04068	27.8
174.84457	0.5
175.04053	0.7
179.10918	0.7
181.08649	0.6
187.11299	1.1
191.02029	1.2
191.03580	1.4
205.12341	33.2
206.12718	2.5
207.05074	2.5
209.03128	0.6
222.56752	0.5
223.13449	4.2
224.13788	0.6
241.00223	3.1
249.06233	0.8
249.11230	4.3
250.11729	0.8
257.00003	0.7
265.14499	1.1
267.07233	0.7
267.12479	1.7
274.25266	0.5
283.15457	0.6
285.23508	0.6
309.13455	6.7
310.13882	1.1
340.10526	0.6
340.27869	0.5
353.16180	1.9
369.22916	2.6
373.26041	0.8
397.14957	2.8
414.14639	0.6
415.16339	11.9
416.16455	1.2
457.17184	23.0
458.17258	2.5
498.20840	0.6
500.22638	1.1
501.10608	1.9
501.24026	21.5
502.17148	1.0
502.24496	2.2
502.30374	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	501.0259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57295	0.3
56.69916	0.2
59.01377	82.2
60.01715	0.8
61.98824	1.0
62.80230	0.3
70.27945	0.7
70.28336	0.8
72.99330	0.4
90.97151	0.7
98.19920	0.3
108.85718	0.3
113.63698	0.3
118.96606	0.6
132.98196	1.6
156.99876	0.4
157.03563	3.1
159.01523	2.2
174.99257	23.3
175.99606	0.5
197.48424	0.3
201.02554	33.3
202.02705	3.2
215.04099	0.4
217.00296	100.0
218.00624	3.4
292.96320	0.5
299.01065	0.4
343.03772	3.0
344.03827	0.8
359.01453	71.0
360.01663	9.3
399.04929	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.6
55.87744	0.8
57.03441	2.7
59.01379	11.2
61.98836	2.0
65.49413	1.0
69.03440	2.0
71.01386	14.1
71.70984	1.3
72.99303	2.2
73.02950	2.4
75.00870	8.8
78.95909	1.0
83.01386	29.2
85.02948	15.2
85.05549	0.8
87.00883	20.4
87.04514	1.3
89.02474	2.1
93.03464	17.0
93.04022	1.4
95.01417	0.9
96.96012	16.8
96.96965	2.1
97.02937	1.1
99.00883	3.6
101.02450	3.1
101.90958	0.9
106.04234	1.2
108.02209	1.7
109.02971	1.0
111.00886	4.4
113.02461	3.0
113.99579	1.5
115.00383	47.7
116.00737	1.3
117.03489	3.8
119.05031	17.5
120.01275	1.0
121.06606	1.3
123.04552	1.7
127.00362	5.7
130.04250	1.1
131.03590	1.3
131.05013	2.6
132.05840	1.6
133.06606	100.0
134.03748	2.5
134.06996	4.8
135.03015	4.9
135.04556	2.3
135.08046	0.9
139.00380	2.8
145.02988	4.4
145.06613	6.9
147.03036	3.3
147.04535	8.2
148.05280	3.8
149.02574	1.1
149.04533	1.2
149.04800	1.4
149.06082	13.2
150.06496	1.1
157.01419	5.5
157.07813	1.5
158.03763	1.6
159.03011	16.0
159.04428	1.6
161.06119	2.5
163.03937	0.9
163.07591	1.9
165.05577	1.7
172.05357	1.2
173.06061	12.9
174.01694	20.1
175.02490	73.7
176.02818	2.9
177.05580	32.3
178.05939	1.8
179.07118	1.8
179.22787	0.9
187.07576	1.4
188.04907	1.2
189.05507	1.4
190.02774	6.5
191.01982	5.7
191.03506	3.0
191.07144	24.2
192.07442	1.3
193.05107	2.9
203.07126	1.3
205.05055	2.2
205.08755	1.5
207.06703	1.3
209.03036	5.4
215.07152	2.5
219.07751	1.6
221.04549	45.6
222.04900	3.9
223.06126	2.1
233.08189	13.6
234.08589	0.9
235.06125	1.8
241.00272	1.5
247.06134	2.0
249.07635	2.4
259.06107	4.1
275.19452	0.8
279.04877	1.0
285.10461	0.9
353.08691	8.0
353.12494	1.5
383.09805	66.7
384.10071	4.8
385.11615	1.3
397.11420	1.6
441.10330	15.3
442.10654	1.6
465.10391	5.6
470.80212	0.9
501.17435	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	499.291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	22.9
61.98812	2.4
71.01387	23.3
72.99316	1.8
73.02950	13.0
75.00869	1.9
78.13478	1.5
83.01395	1.8
84.29880	1.6
85.02958	4.7
89.02456	5.7
95.01382	2.2
98.19827	3.6
101.02447	7.2
109.06638	1.8
113.02438	10.1
139.07686	2.5
190.06909	1.6
249.32381	1.7
261.22278	2.7
263.23682	2.3
273.22174	9.6
277.21719	100.0
278.22162	8.9
278.30295	1.7
291.23282	63.7
292.23660	6.3
301.21710	6.7
319.22720	21.1
320.23050	2.8
331.22748	3.7
340.07742	1.7
349.23746	2.2
380.87064	1.8
527.42749	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	499.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01714	1.0
61.98837	0.6
64.29145	0.3
71.01393	2.1
71.73603	0.5
73.02956	0.5
75.00887	0.9
77.49603	0.3
85.02991	0.8
87.00920	0.3
89.02473	0.7
91.04037	1.3
101.02481	0.7
111.08232	0.3
111.24225	0.3
113.02459	1.8
161.04552	0.5
196.64523	0.3
199.13414	0.5
201.87633	0.3
228.75688	0.4
277.21725	10.4
278.21945	1.5
287.23822	0.4
291.23334	1.9
301.21863	0.4
319.22775	2.6
320.23370	0.4
331.22842	0.5
347.26270	1.2
365.10699	0.4
365.26978	8.5
366.27194	1.5
469.90109	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	78.1
59.10777	0.6
59.84705	0.5
60.01729	0.8
61.98831	1.8
69.54940	5.2
75.00871	0.5
78.95911	10.9
96.96014	0.7
96.96999	1.0
98.19891	1.3
152.99606	13.9
171.00653	3.3
185.83875	0.7
225.22258	0.9
227.03288	1.7
245.04323	6.5
271.22757	100.0
272.23145	9.4
272.94620	0.6
321.95477	0.7
498.92371	0.6
499.26721	43.5
500.26968	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	499.291
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52743	0.8
57.03457	1.2
58.00599	2.9
59.01378	27.1
61.98824	2.0
71.01388	17.5
71.62808	1.3
72.99320	1.6
73.02944	15.2
75.00886	2.9
83.01387	1.9
83.05060	1.0
84.02219	0.9
85.02967	5.0
87.00882	2.3
89.02431	5.2
95.01413	1.7
97.06606	1.4
101.02455	8.9
103.12107	0.8
107.67339	0.8
109.06594	1.3
113.02457	11.5
116.42327	0.8
119.03520	3.1
125.02515	0.8
125.06078	2.2
127.11396	0.7
139.07695	3.1
153.09239	0.8
161.04588	2.8
225.22107	0.9
255.21220	2.3
259.20547	1.0
261.22156	2.6
263.23734	2.7
271.22873	2.9
273.22223	9.1
274.22620	1.4
277.21713	100.0
278.22061	11.7
287.23679	1.3
289.21762	1.0
291.23282	75.3
292.23608	9.8
301.21735	10.0
302.22028	1.6
319.22772	20.4
320.23111	2.1
331.22858	3.6
349.23837	3.6
499.30762	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	2.3
57.03451	55.3
59.01379	92.3
60.01709	1.4
60.21674	1.1
61.98830	18.4
67.01907	1.1
68.99834	3.2
69.03455	3.7
71.01386	49.9
71.73701	1.5
72.99302	9.2
73.02959	7.7
75.00881	31.4
78.95906	2.5
79.95750	6.1
80.96542	3.2
81.03477	3.7
83.01392	4.9
83.05038	2.9
84.02181	1.5
85.02960	46.2
85.03461	2.6
86.03293	1.7
87.00877	15.8
88.04049	1.9
89.02451	17.3
93.03448	2.4
95.01373	10.8
95.05038	1.5
95.95234	3.6
96.96025	100.0
97.02969	1.4
97.06618	2.2
98.95573	7.7
98.96480	1.6
99.00902	17.5
99.04536	36.0
100.04866	1.2
101.02451	19.2
103.00391	5.2
108.02221	1.4
111.00900	1.3
111.04510	1.4
113.02466	55.3
115.00359	3.7
116.05066	4.1
117.01980	5.2
119.03500	3.4
119.05024	1.9
123.04505	1.3
123.08202	2.2
125.02473	9.7
128.03569	1.7
129.01949	5.0
131.03517	3.1
132.03009	1.4
135.03020	2.7
135.04530	5.5
138.97099	4.4
143.03503	2.5
147.03075	1.4
149.04562	4.4
150.97098	1.6
153.09232	3.0
157.01508	2.0
159.11836	1.7
161.02628	1.4
161.04552	2.9
161.13394	14.0
163.04027	43.2
164.04404	2.3
175.02512	4.6
178.06375	45.3
179.06747	2.9
179.10791	1.6
187.11304	4.6
191.02042	2.0
191.03510	9.0
193.08710	66.8
194.09029	4.3
203.08273	4.7
205.07281	1.8
205.12358	17.6
207.05081	2.0
231.05093	4.3
231.09279	1.9
241.00215	11.7
243.09282	4.9
244.10097	2.3
249.06155	44.5
250.06505	2.3
256.99701	1.6
257.10803	15.4
267.07193	97.3
268.07571	4.7
274.13336	1.6
318.12503	40.1
351.21793	4.3
352.02225	1.6
353.03165	1.5
367.21207	2.7
413.14893	5.2
425.14362	2.5
437.18372	2.4
442.16077	1.3
455.19376	49.8
456.19858	7.7
481.17496	2.1
499.08774	7.1
499.18057	63.6
499.22809	31.6
499.33270	3.1
500.18579	11.9
500.23840	4.8
500.29037	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1489
Annotation	kn-93
Peak:m/z	Relative Intensity
53.52887	0.3
57.03435	0.7
57.95346	0.3
59.01380	3.5
61.98826	0.4
63.42493	0.2
67.01906	0.3
69.43108	2.0
69.43535	1.0
71.01378	3.3
72.99302	1.0
73.02956	0.3
78.95899	0.6
79.95741	8.1
80.96515	2.2
83.01396	0.6
85.02946	2.2
87.00873	0.5
89.02457	1.6
93.03488	0.4
95.95255	3.5
96.96021	100.0
97.95958	0.3
98.20656	0.5
98.95576	1.0
99.00909	1.0
99.92598	1.8
101.02451	1.8
109.06609	0.4
113.02457	1.3
115.92094	1.2
116.92879	1.5
119.03498	0.5
119.05055	0.6
122.97591	1.0
123.04585	0.4
129.01930	0.5
134.03699	0.5
138.97098	8.3
139.97430	0.3
143.03493	0.5
149.06105	0.4
150.97096	2.8
152.98672	0.9
163.04018	0.3
163.07672	0.3
164.98692	1.0
168.98137	1.1
173.04573	0.3
175.04033	0.3
177.04057	0.5
177.05519	0.3
179.47087	0.3
180.98166	1.5
181.08691	2.2
191.02051	0.4
191.05600	0.6
198.99205	7.3
205.03448	0.3
209.03015	0.6
219.90227	0.3
233.08295	0.3
239.12842	0.5
241.00230	7.2
242.00577	0.5
242.96098	0.9
251.09247	0.8
256.99698	1.5
259.01270	7.5
259.03964	0.5
267.07156	0.4
285.02945	0.6
299.04544	0.5
413.11267	1.0
425.11737	0.4
427.12778	25.5
428.13092	3.0
437.01904	1.3
439.13260	0.4
455.20294	0.4
479.72433	0.3
481.13791	2.9
482.14236	0.7
499.15076	93.1
500.15399	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	499.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.1
57.03454	13.6
59.01379	7.2
61.98829	0.8
71.01382	9.5
71.71902	1.0
71.72289	0.8
72.99315	3.9
73.02968	1.1
75.00883	22.0
77.86306	0.7
79.95750	7.6
80.96517	2.6
81.95318	0.8
83.01403	1.8
84.02194	0.9
85.02959	42.1
87.00903	1.4
89.02470	1.3
93.03478	1.3
95.95244	5.5
96.96022	100.0
98.95605	25.7
98.96442	5.1
99.00867	1.9
99.04528	11.8
99.92597	1.4
100.04898	0.9
101.02457	6.1
103.00392	0.9
111.00922	4.7
112.01217	0.9
113.02486	1.3
115.92077	1.8
116.92844	1.2
117.03472	3.4
119.05035	6.3
120.01279	0.9
125.02443	2.6
129.01945	2.0
133.06570	0.9
134.03729	0.8
138.97145	4.5
139.07631	0.9
139.23476	0.7
145.02972	29.5
145.04124	1.4
146.03304	1.2
147.03017	16.6
148.03374	0.7
149.06116	4.6
150.97057	1.3
161.04579	10.5
162.04926	1.3
163.03981	6.1
163.05173	1.3
167.07135	2.5
172.16592	0.7
173.00879	0.8
175.03929	0.9
177.01886	1.0
180.98126	1.2
191.01990	1.5
194.08226	3.4
198.99161	1.5
200.06261	0.7
209.02975	1.3
217.51555	0.8
219.03096	1.5
221.08286	1.1
222.99272	1.6
225.00824	1.2
231.06541	0.9
232.69559	0.7
237.03975	1.6
241.00217	20.4
242.95982	1.6
242.99966	2.4
256.99716	1.4
259.01276	2.3
260.60019	0.8
273.73315	0.8
277.03452	0.8
277.11838	1.1
293.06659	12.4
293.09637	1.2
294.06970	1.1
335.07874	1.2
337.05881	1.5
386.04471	1.0
387.04358	8.8
388.04785	1.1
395.06464	1.3
397.11832	0.8
409.12146	0.9
413.05478	1.0
413.11142	1.7
427.12924	1.3
455.11984	44.9
456.12439	5.5
499.05875	23.9
499.11633	22.9
499.23483	1.9
499.25275	1.1
500.05539	1.8
500.11334	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	499.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52948	0.2
57.03440	0.3
59.01380	1.3
61.98824	0.4
69.53011	0.3
69.53416	1.5
71.01381	1.3
72.99291	0.3
73.02939	0.4
73.06794	0.2
75.00877	0.2
79.95742	3.7
80.96523	2.0
83.01399	0.3
85.02958	1.4
87.00890	0.6
89.02489	0.2
93.03483	0.2
95.95233	1.1
96.96021	100.0
97.95956	0.5
98.19902	0.4
98.95592	1.3
101.02458	1.0
109.02962	0.2
113.02448	0.5
122.97594	0.9
138.97084	4.2
140.12236	0.2
143.03479	0.4
149.06087	0.4
150.97086	1.4
151.00340	0.4
164.98663	0.9
168.98148	0.7
180.98160	0.8
198.99290	0.2
203.05972	0.3
222.99046	0.9
225.00798	0.4
241.00227	15.1
242.00514	0.6
243.02859	0.3
255.02898	0.9
257.04605	0.2
257.11829	0.9
271.02457	1.5
272.03000	0.2
300.02753	2.7
301.03494	1.4
302.03964	0.2
311.12897	0.2
406.38538	0.2
413.13287	0.7
455.14389	0.3
463.08939	3.1
464.09277	0.5
498.21140	0.3
499.12769	61.1
499.19629	4.2
500.13028	8.6
500.19275	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2392
Annotation	Jatamanvaltrate L
Peak:m/z	Relative Intensity
55.01868	2.4
57.03453	11.5
58.00589	3.3
59.01381	100.0
60.01708	1.6
61.98820	4.9
69.03454	13.0
71.01388	37.7
71.05025	2.6
72.99304	2.9
73.02943	9.1
75.00871	4.5
78.95913	1.8
79.95744	1.8
80.96527	1.2
83.01382	4.1
85.02959	21.7
87.00925	1.1
87.04537	1.1
89.02462	12.5
90.89010	1.1
93.07099	2.8
95.01424	1.3
96.96022	36.5
97.06562	1.5
98.95537	1.9
99.00890	3.5
99.08144	1.5
101.02451	5.7
109.06582	4.1
111.04543	3.3
111.08163	3.6
113.02475	10.7
113.06084	2.3
119.03520	1.3
119.08685	64.5
120.09013	3.2
123.08175	3.8
125.06096	1.9
127.07685	12.0
131.03511	3.5
137.06111	9.7
137.09735	1.6
139.11317	27.9
140.11644	1.4
151.11304	1.1
155.07155	10.6
157.03114	1.9
163.07661	44.4
163.11278	1.5
164.07913	2.0
165.09248	3.8
167.07185	1.6
169.05336	1.2
181.08743	2.3
181.12315	1.3
183.10283	68.8
184.10629	3.8
191.01845	1.3
197.11823	9.1
225.11304	20.9
241.00179	7.9
255.06619	4.3
255.12390	2.4
295.11871	24.2
296.11984	2.1
302.03696	1.3
305.19693	1.6
313.12939	24.5
314.13464	1.6
434.07852	2.3
455.26459	3.9
467.22910	3.7
479.22885	74.1
480.23322	11.9
497.07788	2.2
497.24515	68.8
498.24692	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	497.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.3
57.03429	0.8
59.01375	3.0
61.98821	0.8
71.01382	3.9
72.99296	0.6
73.02962	0.4
75.00875	4.3
79.95742	3.8
80.96509	1.3
81.95338	0.3
83.01414	0.4
85.02956	3.5
87.00895	0.5
89.02447	0.8
90.93884	0.3
95.95240	2.1
96.96018	93.0
97.02955	0.5
97.95950	0.3
98.95567	1.5
98.96457	0.5
99.00893	0.8
101.02463	1.8
109.02975	0.6
113.02502	0.5
113.50163	0.3
115.04044	0.6
121.84087	0.3
125.02466	1.1
129.01944	2.1
131.03479	0.4
136.43991	0.3
137.02396	0.3
138.97089	2.7
149.11205	0.3
150.97072	0.7
153.01981	0.5
159.02950	1.5
164.98593	0.3
166.02771	0.3
168.98137	1.8
169.01418	0.9
176.98686	0.6
177.04057	23.6
178.04398	1.2
181.05064	0.6
191.01933	0.3
194.99628	1.4
198.99266	0.9
199.13431	0.3
213.00732	3.0
241.00261	1.9
256.99701	14.0
258.00092	0.7
259.01227	0.6
289.07227	0.4
301.02921	0.3
313.05661	0.6
333.91815	0.3
398.52704	0.3
411.13443	1.4
417.15402	0.4
417.21149	0.3
453.14529	1.0
455.18130	1.2
497.20621	100.0
498.21011	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	497.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.5
58.02950	0.2
59.01377	3.2
61.98825	2.0
66.40371	0.2
69.03462	0.4
69.47077	1.6
69.47498	0.7
71.01385	2.5
72.99313	0.4
73.02942	0.6
75.00875	0.5
75.28664	0.2
79.95744	11.4
80.96523	1.3
83.01401	0.3
85.02960	1.8
87.00879	0.5
89.02438	0.5
95.01348	0.3
95.95244	15.9
96.96022	62.2
97.02949	0.3
97.95960	0.3
98.20228	1.0
98.95609	1.5
98.96460	0.2
99.00883	0.4
99.04537	0.2
101.02454	1.0
108.02211	0.3
113.02451	1.2
119.42413	0.2
122.97609	0.8
123.00895	0.4
124.01688	1.6
125.02466	3.6
129.01962	0.3
137.02423	0.4
138.97098	3.5
143.04666	0.4
145.82704	0.2
149.99617	2.0
150.97110	4.0
151.00415	0.5
151.97868	2.1
152.01183	0.7
153.01918	0.9
159.03192	0.2
160.04089	1.4
161.04440	1.2
164.98705	0.6
167.03484	1.1
168.00653	4.0
168.03850	0.7
168.98216	0.4
169.01422	0.5
169.04041	0.4
176.98705	0.6
177.04123	1.3
180.98085	0.6
182.34879	0.2
185.00990	0.3
191.07204	0.2
194.99629	0.4
198.99236	2.0
199.67220	0.2
203.10860	0.2
213.00839	0.6
222.99184	1.2
225.00734	0.3
241.00240	5.8
249.06108	0.5
256.99747	2.2
259.01285	0.8
267.07254	1.1
301.03366	0.3
349.07797	0.2
364.68057	0.3
411.13309	2.1
453.14532	1.0
497.20789	100.0
498.21133	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.3
59.01390	1.4
60.98555	0.2
61.98816	0.5
68.98111	0.2
69.95905	1.1
71.01376	1.4
73.02940	0.2
74.02458	0.2
75.00898	0.2
79.95744	2.4
80.96515	1.3
83.01381	0.4
84.62495	0.2
85.02950	1.5
87.00875	0.5
89.02453	0.7
95.95260	0.7
96.96018	50.1
98.95601	0.5
101.02450	0.9
113.02451	0.5
122.97594	0.5
128.03595	0.3
129.01932	0.2
138.97090	5.4
143.04613	0.3
150.97098	0.5
160.04066	0.6
161.04659	0.4
164.98648	0.2
165.01942	0.4
165.05583	0.3
168.98123	0.5
180.98132	0.6
181.05232	0.2
195.06708	0.6
198.99182	4.0
222.99205	0.2
225.07553	0.3
241.00240	3.0
259.01260	1.7
272.09048	0.2
283.11050	0.3
285.07562	0.5
287.10400	0.3
288.10843	0.3
289.10855	0.3
306.07651	0.7
316.88455	0.2
331.09451	0.3
333.10031	0.4
361.12912	0.3
399.70993	0.2
411.13196	0.5
437.11475	0.5
449.16318	0.2
461.06116	0.2
479.18842	0.2
497.20657	100.0
498.21045	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	497.206
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.4
59.01378	4.4
60.80230	0.2
61.98816	0.8
71.01383	1.9
71.05011	0.3
71.29922	0.4
72.99308	0.3
73.02947	0.6
75.00874	0.3
78.95909	0.3
79.95741	3.6
80.96525	1.4
82.77502	0.2
83.01405	0.2
85.02947	2.0
87.00886	0.5
88.98817	0.8
89.02455	0.8
95.01362	0.2
95.95246	1.3
96.96019	58.8
98.42497	0.2
98.95614	1.2
98.96306	0.2
99.00839	0.4
99.04538	0.4
101.02461	0.9
103.00375	0.6
112.78399	0.2
113.02476	0.6
115.92089	0.5
117.05640	0.2
119.03526	0.3
119.05065	0.2
120.01286	0.2
120.99702	0.3
121.05275	0.4
122.97603	0.4
125.02510	0.3
129.01942	0.4
134.03761	0.3
135.04468	0.4
138.05641	0.2
138.97093	5.8
146.06119	0.6
147.03111	0.3
149.06094	0.3
150.97070	0.8
151.04002	0.3
152.98636	0.4
161.08195	3.4
162.08540	0.6
163.08701	0.6
164.98657	0.4
168.98161	0.8
180.06688	0.3
180.98152	0.6
191.01962	0.5
198.99188	4.1
203.09338	0.8
209.02957	0.3
227.08360	0.4
241.00256	3.6
241.09889	0.3
254.92386	0.2
255.11490	0.3
255.61975	0.2
256.99765	0.3
259.01285	1.8
317.14346	1.3
352.00806	0.2
378.50104	0.3
401.14258	0.2
411.13333	0.9
437.11536	0.3
453.14716	0.5
454.19910	1.7
489.28976	0.2
497.13882	6.4
497.20642	100.0
498.13867	1.4
498.20981	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	497.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84515	0.3
55.42240	0.3
57.22386	0.3
59.01379	12.1
60.35028	0.4
61.98821	1.4
70.58435	1.0
71.01391	2.3
73.02951	1.0
79.95747	8.9
80.43555	0.4
80.96513	3.0
84.48036	0.4
85.02955	2.3
88.37721	0.4
89.02441	0.8
95.95239	3.0
96.96020	100.0
98.95612	0.5
100.49418	0.4
101.02471	2.5
103.00384	7.3
104.00687	0.4
110.21665	0.4
113.02461	0.4
122.97560	0.6
129.01991	0.8
138.97079	0.6
150.97096	1.2
152.98686	2.2
164.98672	2.7
177.03960	0.8
180.98175	2.4
238.98567	1.0
240.97981	0.6
241.00220	4.3
256.99643	3.7
284.26672	0.4
288.40701	0.5
393.12064	1.9
394.12466	0.5
411.13300	88.5
412.13638	10.2
438.45050	0.4
453.14328	40.1
454.14474	4.2
479.12143	1.6
497.13315	35.9
497.20200	4.5
498.13385	5.1
498.19772	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.4
59.01381	7.5
61.98823	0.3
63.32398	0.3
69.03457	0.6
69.42961	1.9
69.43388	1.8
71.01379	3.1
72.01726	0.4
72.99310	1.0
73.02948	1.0
75.00874	0.6
79.95743	24.9
80.96526	6.9
81.95341	0.3
82.39555	0.3
83.05582	0.4
85.02952	4.1
86.03303	0.9
87.00882	1.4
89.02426	0.7
95.95248	2.4
96.96021	100.0
97.02992	0.6
97.95977	0.5
98.20627	0.9
98.95051	0.5
98.95592	2.5
99.00906	0.5
101.02446	1.9
103.00386	0.8
111.00890	1.0
113.02452	1.1
122.97617	1.1
125.02473	0.9
129.01955	0.7
137.96284	1.0
138.97099	5.0
150.97127	1.9
153.01865	0.4
164.98717	0.7
166.92670	0.3
169.01482	0.5
169.94720	0.4
177.04184	0.6
180.98125	0.5
191.01994	1.1
193.02469	0.5
198.99173	0.5
222.98993	0.8
238.19568	0.4
238.98674	1.2
241.00224	6.5
252.69820	0.4
256.99603	1.7
264.53046	0.3
280.99716	1.1
283.01282	4.6
299.00812	2.8
300.02686	0.4
301.03006	0.9
301.15659	0.4
361.76935	0.4
393.12094	1.5
411.13315	19.0
412.13452	2.0
434.08191	0.7
453.14340	59.2
454.14642	7.3
497.13226	28.2
497.20160	13.9
498.01758	1.9
498.13571	4.5
498.20862	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	497.0762
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.7
58.00567	0.7
59.01379	44.1
60.01731	0.5
61.98835	6.1
67.05531	0.6
69.03445	1.7
71.01389	14.3
71.73446	0.7
72.99313	1.9
73.02950	5.5
75.00874	2.0
78.95918	0.7
79.95737	4.8
80.96519	3.3
81.03442	0.8
83.01399	2.3
83.04997	0.6
83.28040	0.5
85.02957	7.1
87.00874	2.1
89.02460	4.4
95.01393	0.8
95.95222	1.4
96.96021	100.0
98.95623	1.3
99.00887	2.3
101.02460	5.9
103.00401	0.9
107.01389	1.0
111.04525	4.3
113.02457	6.5
117.01965	0.9
119.03535	1.0
121.10225	0.8
122.06127	0.7
122.97606	0.9
123.04579	0.6
125.02489	0.9
125.09739	1.2
131.03543	0.9
138.97102	8.3
143.03502	1.8
143.04568	0.6
143.38034	0.6
144.04535	0.7
145.04922	0.7
147.03114	0.5
149.04594	0.8
150.97072	1.1
151.00378	4.3
151.07663	0.7
152.01047	0.6
152.98578	0.6
159.11862	1.0
161.04649	1.7
162.05499	0.6
164.98697	1.0
167.03496	0.8
168.98132	0.7
169.08653	1.9
172.04022	0.7
174.01738	0.7
174.05585	0.5
177.01956	1.1
177.04012	0.5
179.05565	0.8
180.98135	0.7
181.08728	5.6
183.10326	0.7
183.91148	0.5
198.99191	0.6
203.05780	0.6
203.10892	0.8
203.14352	0.8
204.06662	1.6
207.04836	0.5
211.13388	0.7
213.05713	0.7
219.97000	0.5
222.99191	1.8
237.10266	0.8
239.08342	0.8
241.00226	45.3
242.00563	2.1
249.06166	2.1
252.12419	0.7
253.06299	0.9
253.10004	0.9
254.06235	0.7
255.06604	15.2
256.06970	1.5
256.99640	0.6
267.07263	4.0
267.11108	0.5
268.08289	1.3
268.11670	0.6
269.12408	0.7
281.09241	2.1
282.09531	1.2
296.11642	2.4
297.07849	0.8
297.13586	3.4
298.13327	0.5
299.10297	0.8
300.10980	0.7
301.03156	1.4
302.03574	0.7
315.14423	3.2
317.21097	0.6
327.09015	0.6
328.10553	0.8
329.10886	0.7
329.23166	1.2
411.13354	3.2
417.11893	4.1
420.19360	2.1
421.19690	2.2
434.08170	1.6
435.08432	0.6
453.14883	0.5
453.21704	1.5
464.18213	1.6
465.18530	2.9
467.23062	4.2
473.54797	0.6
479.22916	2.7
496.20554	5.9
497.07660	42.4
497.20966	35.1
498.07990	6.7
498.21072	4.2
513.17877	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.0604
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87942	0.4
57.03449	21.3
59.01089	0.5
59.01377	7.1
69.57659	1.5
69.58084	2.0
71.01385	4.1
72.99315	0.6
73.02956	0.7
79.95750	2.4
80.96525	1.1
83.01384	1.1
85.02959	0.8
89.02470	0.5
96.96023	100.0
97.02971	0.4
97.95988	0.6
99.00889	0.6
99.04527	24.3
100.04915	0.4
101.02454	8.6
103.00346	0.4
105.01957	0.4
111.00896	9.4
113.02466	0.8
123.04532	0.7
125.02484	2.5
126.02805	0.4
131.45135	0.4
138.97060	0.6
139.00359	0.6
143.03479	0.9
151.71429	0.5
152.98701	0.6
157.01460	0.4
161.04584	18.4
162.04883	0.6
165.03960	0.4
177.05586	0.4
191.07272	0.5
203.07224	0.4
218.05812	0.6
222.99144	2.1
241.00226	7.9
259.05991	0.7
283.01239	0.5
291.08743	2.5
305.09015	0.4
323.04343	2.1
325.02341	2.3
343.05060	0.4
353.01859	0.5
385.04456	22.6
386.04556	1.9
411.06030	2.5
417.10101	0.7
437.04010	0.5
453.07037	1.7
497.06070	78.3
498.06317	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	497.0604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.4
57.03448	17.6
58.03781	0.4
59.01376	6.5
61.98817	0.8
70.12599	1.4
71.01384	4.9
72.99290	0.4
73.02946	1.0
79.95745	2.7
80.96517	1.0
81.03462	0.5
83.01389	3.0
85.02950	2.7
87.00888	0.7
89.02446	0.9
89.70546	0.3
95.95225	1.0
96.96020	100.0
97.83159	0.4
97.95937	0.4
98.95591	0.6
99.00846	0.5
99.04526	21.0
100.04855	1.1
101.02456	7.0
111.00894	7.5
113.02458	1.1
123.04530	0.7
125.02467	3.1
129.01959	0.5
138.97128	0.8
143.03529	0.6
150.03288	0.4
151.03952	0.6
152.98651	0.7
161.04573	16.1
162.04855	0.8
165.05579	0.5
172.07831	0.3
179.03636	0.3
180.98183	0.5
190.96629	0.4
191.01994	1.0
195.06708	0.4
198.59558	0.4
198.99236	0.6
200.32861	0.3
203.05707	0.4
222.99094	2.0
225.46950	0.3
227.78218	0.3
241.00226	7.7
241.09842	0.4
242.00613	0.4
250.24396	0.3
256.99796	0.4
259.01212	0.4
272.33716	0.3
283.01343	0.9
292.95407	0.3
305.08749	0.9
315.07303	0.3
317.11493	0.7
323.04562	2.4
325.02219	2.4
353.01758	0.5
361.11139	0.4
385.04440	30.3
386.04773	2.5
411.13419	1.1
417.10358	0.7
454.19745	0.7
467.89099	0.4
497.06104	63.8
498.06366	7.0
498.13736	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.076
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01629	0.4
57.03442	1.0
59.01091	0.7
59.01381	12.9
61.98833	3.9
63.02395	0.5
65.00329	0.9
69.03488	0.7
69.84233	2.4
71.01387	5.7
72.99319	0.7
73.02959	2.7
75.00851	0.7
78.95895	0.4
79.95747	3.8
80.96511	2.3
83.01385	2.0
85.02950	2.4
87.00884	0.8
88.04052	0.5
89.02464	1.0
95.01396	0.4
96.96024	100.0
97.02991	0.4
97.95966	0.5
98.95653	0.6
99.00900	0.9
101.02467	3.3
107.01403	1.4
111.42034	0.4
113.02464	2.3
115.00373	0.7
122.97594	0.9
123.04571	0.7
125.02448	0.5
138.97131	1.8
143.03537	0.4
145.06602	1.2
150.97118	1.0
151.00394	2.3
152.98660	5.5
161.04485	0.4
167.03522	2.3
168.03839	1.2
169.06624	1.1
171.04546	0.9
172.05257	0.4
180.98109	2.5
185.06177	0.4
187.07701	0.6
192.03830	0.5
211.07681	1.2
213.05545	3.7
241.00237	85.0
242.00548	3.3
255.06628	42.5
256.06924	4.6
272.02853	0.5
297.13300	0.5
301.03391	0.8
302.03760	0.7
347.13000	0.3
382.26083	0.7
383.24158	0.4
411.07581	0.6
416.97079	0.4
430.24411	0.4
431.17148	0.4
434.08151	1.6
437.24866	0.6
441.29965	0.4
497.07623	37.8
497.19608	9.3
497.26764	0.6
498.07907	5.4
498.20657	1.7
498.27167	3.0
508.16025	0.4
522.68201	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67281	0.6
53.76359	0.6
55.75948	0.7
58.49557	0.5
59.01374	0.7
61.98834	10.9
65.00341	0.7
69.71354	4.0
73.34010	0.6
79.95729	0.9
83.01405	1.0
85.02964	2.8
93.57249	0.7
96.01318	0.7
96.96023	6.7
98.19878	0.8
102.42442	0.6
107.01403	2.3
108.02174	0.6
109.02976	1.3
121.02969	2.1
135.00851	0.7
148.01685	0.6
150.97026	0.6
151.00388	11.4
163.00380	2.8
164.01169	0.7
169.01584	0.7
178.99890	5.0
191.02032	1.0
199.04076	1.0
211.04025	1.3
215.03433	0.7
226.02797	1.3
227.03500	1.9
229.05046	1.4
231.02821	0.7
240.21062	0.7
243.02997	7.4
245.04652	1.4
252.27261	0.7
254.02296	1.7
255.02979	18.3
256.03348	2.4
271.02451	34.5
272.02927	3.7
281.56607	0.6
283.02530	1.7
300.02762	68.9
301.03503	67.4
302.03873	4.5
411.13330	1.6
421.75790	0.8
433.07751	100.0
434.08090	14.3
453.14258	2.2
496.19360	1.5
497.13617	1.2
497.20502	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	496.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48328	0.7
57.29811	0.7
61.98833	6.1
71.37070	0.8
71.37411	0.9
75.43087	0.8
78.95910	41.3
84.37874	0.7
89.94059	0.7
96.96967	6.3
150.97977	1.1
152.99608	100.0
153.99963	1.2
164.44127	0.7
171.00650	3.6
271.02460	1.6
279.23380	1.3
300.02798	2.6
301.03479	3.1
348.58167	0.7
377.82239	0.7
433.07690	4.0
433.23627	31.0
434.23914	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	496.0733
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.5
59.01373	3.2
61.98830	15.6
65.00323	1.1
71.01395	0.6
79.95734	1.2
80.96532	0.4
83.01379	0.5
84.02165	0.5
85.02954	11.5
86.03288	1.2
93.03426	0.5
95.95261	0.4
96.96019	18.3
98.95593	1.3
99.25214	0.4
101.02464	0.7
103.00367	0.9
107.01405	2.1
108.02187	1.3
109.02957	1.1
110.35545	0.4
116.92838	0.6
120.01180	0.5
121.02960	1.1
129.01971	1.0
135.00868	0.6
137.02438	0.5
138.97052	0.9
139.04013	0.5
147.03009	0.8
148.01671	0.7
151.00383	9.3
153.01955	0.5
163.00397	2.5
164.01010	0.4
169.01462	0.5
178.99863	4.2
179.30235	0.4
187.03979	0.5
189.05371	0.4
191.01999	6.2
192.02318	1.5
195.42775	0.4
211.03981	1.4
215.03592	0.4
216.04118	0.5
226.02733	1.0
227.03520	2.6
229.05019	0.6
241.00137	1.6
243.02965	7.0
244.03535	0.5
245.04477	1.0
254.02269	2.0
255.02953	19.8
256.03354	1.8
271.02451	41.7
272.02896	4.5
273.03882	0.5
282.85187	0.4
283.02374	1.7
285.02328	0.5
299.01846	0.9
300.02750	79.6
301.03470	49.3
302.03860	4.0
367.61359	0.4
409.11765	1.3
410.12180	4.4
411.13422	3.0
417.22058	0.4
433.07739	100.0
434.08099	14.9
452.13107	2.1
453.14465	2.1
495.19040	1.1
496.12027	2.8
496.19287	4.8
497.13300	2.1
497.20950	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	495.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39597	0.5
57.03446	4.4
59.01379	100.0
60.01719	1.5
61.98838	7.4
69.03455	4.2
69.60822	3.0
69.61251	1.3
71.01391	4.1
72.99338	0.7
73.02953	1.6
74.97779	0.4
75.00892	1.0
79.95750	3.7
80.06678	0.4
80.96539	0.7
81.95315	0.5
83.01402	0.9
85.02953	6.4
87.00896	1.7
87.04523	4.7
89.02473	1.0
93.03487	0.8
95.95247	3.1
96.96022	47.1
97.02996	1.3
97.59082	0.7
98.95621	6.0
98.96465	1.1
99.00897	1.7
99.04510	0.6
100.95501	0.6
100.96093	0.7
101.02457	2.9
103.04023	63.3
104.04375	1.5
108.02168	0.5
109.02976	1.7
113.02491	2.3
119.05045	0.5
120.01247	0.7
121.02974	0.7
122.97597	0.8
123.04546	1.6
125.02491	1.2
129.02017	0.8
132.17438	0.5
135.04558	0.6
135.72890	0.4
137.02469	1.5
138.97131	1.2
139.04086	0.6
141.02075	0.4
145.02975	1.4
147.03047	0.8
149.02477	1.0
150.97104	1.2
151.00401	1.4
151.04039	0.5
157.03078	1.2
161.02475	0.5
161.04626	0.9
161.09756	1.6
164.98654	0.5
165.01974	1.2
175.04002	0.5
177.01979	2.3
177.04080	2.1
178.99802	0.7
179.10757	1.2
185.00894	3.5
189.01958	2.1
190.02724	1.9
191.02003	1.1
191.03519	0.7
205.05141	1.3
217.01482	1.9
219.03046	0.7
227.07333	0.6
231.03107	1.1
241.00218	4.0
242.99963	1.0
245.00267	0.5
249.06183	0.5
255.03027	0.8
256.99777	1.5
267.07217	0.8
271.02490	2.0
271.06369	1.5
278.71613	0.5
289.07138	4.4
300.02689	3.1
301.03568	2.9
341.06683	5.3
349.18661	0.9
355.08463	0.8
358.05954	0.4
409.08902	2.0
433.07809	4.2
435.10825	0.6
451.10172	1.7
482.14441	0.5
495.18890	53.3
496.19446	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	495.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73683	0.2
57.03444	0.2
59.01377	6.8
59.65084	0.2
61.98820	0.7
69.03448	0.3
70.92217	0.5
70.92599	0.2
71.01382	2.2
72.12766	0.1
72.99303	0.5
73.02954	1.4
73.49442	0.2
75.00896	0.2
75.41958	0.2
79.95738	2.7
80.96517	1.5
83.01398	0.5
85.02963	1.7
86.00140	0.2
87.00877	0.3
87.04512	0.2
89.02463	0.6
94.28333	0.2
95.01395	0.2
95.95239	1.5
96.96021	63.0
97.95920	0.3
99.00915	0.3
101.02458	1.8
113.02461	1.0
119.03604	0.2
122.97601	0.8
138.97075	1.9
150.97089	1.2
151.07681	0.3
152.08418	0.3
155.41849	0.2
161.04587	0.3
164.98660	0.4
165.05728	0.2
180.98145	0.6
198.99170	0.7
199.35652	0.2
213.00755	0.2
222.99330	0.2
235.02596	0.2
241.00235	3.4
253.18114	0.3
256.99747	0.3
271.02466	0.2
285.61050	0.2
300.02795	0.4
301.03345	0.2
387.08469	0.2
415.23337	2.2
433.07828	0.7
435.23718	0.4
451.20041	0.6
495.19009	100.0
496.19345	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	495.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.0
59.01381	13.6
60.01714	0.5
61.98837	4.2
69.03465	1.2
69.55723	1.5
69.56160	2.0
71.01383	5.1
72.99283	0.4
73.02952	3.9
75.00887	0.9
79.95748	6.9
80.96539	1.3
83.00906	0.4
83.01368	2.1
85.02963	6.8
86.03316	0.8
87.00905	0.7
87.03395	0.4
89.02451	1.0
93.03456	0.9
95.95245	9.0
96.96023	58.1
98.20654	0.7
98.95616	1.3
99.00913	1.0
101.02469	4.8
107.01403	0.4
108.02191	23.4
112.27882	0.4
113.02463	2.5
119.03501	0.5
122.97599	0.6
123.00896	0.4
123.04549	10.5
129.01947	1.3
130.08739	0.4
137.02470	0.9
138.97093	1.8
143.03506	0.8
147.03053	0.6
149.04604	1.0
150.97121	2.4
151.00418	0.6
151.97829	1.3
152.01176	46.0
152.98607	0.7
153.01520	1.7
160.04065	8.3
161.04497	1.1
164.98613	0.5
167.03514	100.0
168.03844	5.1
177.01851	0.6
177.04071	1.2
185.00945	0.5
191.01987	1.9
191.03511	0.4
192.02385	0.4
193.02353	0.4
193.61374	0.3
194.99829	0.5
198.99162	0.7
204.03073	0.5
209.02965	0.4
222.99246	1.1
223.04399	0.8
225.00761	0.9
241.00291	4.5
242.00719	0.6
255.02942	0.7
256.99792	2.4
271.02475	0.8
279.01578	0.4
290.08112	0.6
299.01840	0.5
300.02826	1.8
301.03571	2.8
409.11615	0.6
423.13199	1.1
433.07642	1.7
451.19797	0.5
453.16672	1.2
465.18094	0.6
495.19067	90.1
496.12646	1.0
496.19354	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	495.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85210	0.6
57.03325	1.9
57.03624	1.2
59.01252	4.6
59.01578	2.0
60.99759	0.6
61.98697	2.7
61.99042	1.0
65.99752	1.3
71.01245	2.8
71.72752	0.8
72.99177	0.8
73.02859	0.9
75.00736	4.2
75.01195	1.1
79.95587	2.7
79.96040	1.3
80.96442	1.0
80.96907	0.6
82.02843	33.9
82.03387	6.1
83.01250	2.2
83.03207	0.8
85.02804	10.7
87.00761	1.6
89.02309	2.3
94.02875	1.5
95.95118	1.6
96.95864	49.6
96.96558	6.5
96.96897	2.0
97.58877	0.6
98.95509	1.4
99.00786	1.2
99.04427	1.1
101.02290	1.8
101.02905	0.7
108.02077	1.1
109.02797	4.7
111.00782	1.2
113.02305	2.0
115.00263	0.8
119.04905	1.2
120.01094	0.8
120.04433	1.5
121.02888	0.7
122.02345	1.0
122.05963	5.0
123.04418	0.9
125.02321	1.6
129.01801	2.2
131.03500	0.7
134.03595	1.0
136.04063	16.6
137.02287	1.6
137.04201	1.2
138.05617	8.8
138.96922	2.5
139.03897	2.4
145.02931	0.8
147.02968	1.3
148.03935	0.9
149.04419	2.3
150.03104	1.2
152.01054	1.5
152.03384	1.0
155.10704	1.6
160.07507	1.9
161.04515	0.8
162.01956	0.8
162.05475	0.8
163.03935	1.1
164.03552	33.3
164.04829	1.6
165.01845	1.1
165.03793	1.9
165.05377	0.7
167.03381	1.0
169.01352	0.9
175.02348	1.1
176.07065	1.6
178.04955	0.7
178.08636	1.2
180.02925	1.2
182.04475	1.9
186.05536	1.0
188.07066	0.9
191.01845	3.0
192.69824	0.7
193.07068	0.7
194.04591	16.1
195.05370	3.6
196.06165	16.8
198.99075	1.8
201.09067	1.1
202.08716	3.5
203.08278	1.0
204.06523	2.1
205.03235	0.8
216.06653	0.7
216.10130	0.8
217.09724	0.8
227.08360	0.8
228.06729	1.0
229.06094	1.5
231.07640	2.5
240.98015	0.7
241.00182	4.7
243.04033	1.3
243.11327	1.3
244.09778	7.7
245.09349	3.1
249.05989	0.9
255.05505	0.8
257.05716	0.7
258.06454	3.7
259.07077	1.7
259.10782	2.6
261.12360	1.8
267.07196	1.0
269.09265	2.6
270.07672	4.7
271.07336	3.3
272.07971	1.9
274.04831	0.9
287.10361	100.0
288.10748	8.5
289.07278	3.5
291.09665	1.4
305.11362	5.8
313.08307	5.1
319.13000	3.6
324.76526	0.8
331.09366	68.1
332.09726	8.7
345.10956	1.6
363.11987	46.4
364.12268	4.5
433.17093	3.1
451.12930	1.8
463.13583	11.2
463.19052	0.8
464.14163	1.6
477.07596	1.2
477.15378	0.9
495.08575	3.1
495.19519	53.4
495.32236	3.4
496.19620	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	495.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	25.6
59.01143	0.6
59.01382	8.0
66.97850	0.5
71.01397	4.5
71.18401	1.3
72.99335	0.5
73.02957	0.9
75.00882	0.5
79.95740	3.1
80.96512	1.5
85.02956	4.7
87.00867	1.5
89.02441	1.2
89.32982	0.5
90.21949	0.5
95.01367	1.8
95.95232	0.9
96.96021	65.3
99.00845	0.7
99.04530	18.5
101.02452	9.0
108.02193	6.0
109.02964	21.3
110.03276	0.8
113.02451	1.2
120.01218	0.9
123.00880	1.6
123.04549	0.7
125.02470	3.3
135.04507	0.6
138.97102	0.8
151.03998	1.0
152.98560	1.1
161.04575	11.3
164.98607	0.9
191.01973	1.1
241.00208	4.6
283.01306	1.1
313.09311	0.8
331.89923	0.6
333.02811	1.9
351.03989	4.9
385.04126	0.6
415.12424	1.5
433.08157	3.0
435.06024	2.3
436.46609	0.6
495.08044	100.0
496.08377	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	495.1179
Annotation	circumanthracene
Peak:m/z	Relative Intensity
57.03444	1.2
59.01382	4.7
61.98832	3.0
63.39956	0.2
70.14930	1.6
71.01377	2.6
72.74265	0.3
72.99319	0.4
73.02946	0.8
75.00891	0.4
77.49418	0.3
78.95889	0.4
79.95742	24.1
80.96519	1.5
83.01389	0.3
85.02961	3.4
87.00876	0.7
88.98799	1.7
89.02449	1.1
94.98116	0.3
95.94615	0.4
95.95239	10.7
96.96021	100.0
97.95952	0.5
98.20004	0.4
98.95593	1.0
99.00884	0.4
99.04519	0.5
101.02458	2.2
103.00359	0.7
108.04563	0.3
109.02970	0.8
110.97630	0.5
111.00926	0.4
113.02464	0.9
113.94709	0.3
115.04028	0.3
116.92877	0.4
117.05586	0.6
120.01254	1.0
121.02989	0.5
122.97582	0.7
123.04553	0.4
125.02480	0.4
125.09740	1.2
129.01964	0.7
135.30399	0.3
138.05617	0.4
138.97081	2.0
139.04025	0.8
146.03763	0.8
147.03050	0.5
149.04623	0.3
150.97086	4.7
152.98653	3.3
153.01964	0.8
153.09183	0.7
161.08212	3.1
164.98701	0.3
165.01869	0.5
166.05063	0.3
167.03560	0.4
171.10266	2.1
177.04010	0.3
179.07167	0.4
180.98129	2.7
181.08672	0.3
191.02011	0.6
198.99213	1.2
203.09270	0.6
215.09230	3.9
241.00212	10.8
242.00555	0.7
256.99701	4.5
259.01254	1.1
267.07190	0.3
283.01297	0.8
285.02823	0.4
299.04413	2.9
300.05023	0.3
306.30988	0.3
315.03946	1.5
321.79495	0.3
327.00085	0.3
333.09848	0.3
347.13364	1.5
363.12524	0.5
385.89722	0.3
409.07983	0.9
409.75616	0.3
495.11749	80.9
495.18713	7.8
496.11963	10.6
496.18961	0.9
513.96442	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05862	0.3
59.01395	0.5
61.98833	5.0
70.60088	1.2
72.87817	0.3
78.95908	42.8
85.50748	0.3
96.96963	5.1
137.20909	0.3
150.98019	2.3
152.99605	100.0
153.99936	1.8
171.00664	3.7
188.64807	0.3
195.55293	0.4
269.24832	1.0
277.21759	1.0
431.22046	26.7
432.22403	4.4
444.28067	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.0449
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48185	0.3
57.03460	1.3
59.01377	8.8
61.98829	1.1
65.00275	0.3
71.01382	2.6
71.72021	0.4
72.99304	0.6
73.02943	1.0
74.12176	0.2
75.00893	0.5
78.95900	0.3
79.95737	4.6
80.96524	2.0
83.01385	0.8
85.02962	3.3
87.00887	0.9
88.98812	1.1
89.02473	1.3
93.03431	0.3
95.01379	0.3
95.95237	1.4
96.96022	100.0
97.95971	0.5
98.95591	0.7
99.00893	0.8
99.04538	1.0
101.02436	1.4
103.00390	4.3
104.00734	0.3
108.02181	3.8
108.04551	0.3
109.02979	0.6
111.00890	0.5
113.02467	1.0
116.92876	0.9
119.05062	0.3
120.01263	0.8
121.02870	0.3
122.97578	0.4
123.04546	2.5
124.01679	0.3
125.02489	1.0
125.03588	1.6
128.03503	0.3
129.01971	0.3
134.03725	0.3
134.97615	1.5
135.04565	0.5
138.05664	0.3
138.97079	1.7
139.00383	0.9
140.07181	0.7
143.03552	0.4
148.05286	0.5
149.02496	0.4
149.06142	0.5
150.03227	0.7
150.97057	1.1
151.04002	0.5
152.01173	8.8
152.98637	4.1
153.01755	0.3
157.01472	0.5
161.04614	0.6
161.08215	0.9
163.07655	0.3
164.98570	0.3
165.01891	0.5
165.05548	0.7
167.03506	13.7
168.03835	0.8
173.06149	0.5
175.02530	0.3
175.03998	0.7
177.05650	0.3
180.98116	1.3
181.04962	0.3
191.01988	1.1
194.99689	0.8
198.99234	0.5
201.05580	0.6
202.06564	0.3
209.02892	0.3
215.09286	0.2
217.05081	0.5
217.08575	0.4
219.06616	0.3
221.04378	0.3
222.99170	1.5
229.04935	0.3
230.05807	0.3
241.00224	41.6
242.00517	1.9
245.08188	0.8
246.99089	0.3
249.06204	0.3
251.05672	0.4
258.05194	0.4
259.01349	0.6
273.03818	1.4
283.01279	18.4
284.01730	1.2
289.07208	0.5
305.06619	0.8
327.00143	1.6
333.06216	0.6
361.11136	0.7
409.04303	18.7
410.04575	1.8
451.05389	21.0
452.05554	2.5
466.38748	0.3
475.32413	0.3
477.03427	1.3
477.09891	0.4
495.04468	17.6
495.11542	8.1
495.19183	1.8
496.04993	2.3
496.11942	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3666
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89799	23.9
61.98827	100.0
81.23209	23.8
108.62052	24.2
131.73056	28.4
146.23459	25.5
183.12964	24.9
271.74969	28.1
280.71271	27.7
299.25806	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.094
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.2
59.01372	0.6
61.98831	100.0
64.82543	0.2
66.89991	0.2
69.49682	0.5
69.50094	1.1
76.76928	0.2
79.95766	0.3
85.02970	1.1
86.72686	0.2
88.12917	0.1
96.96024	2.4
123.04527	0.2
128.03499	0.4
128.79459	0.2
151.00412	0.3
163.00546	0.2
167.47231	0.2
183.10361	0.2
187.04156	0.2
187.98494	0.2
189.31699	0.2
191.02005	0.5
191.03630	0.2
213.05626	0.2
227.03488	5.6
228.03932	0.4
229.05011	0.9
239.03616	0.2
246.98833	0.2
255.02965	7.8
256.03506	1.4
257.04565	0.5
283.99966	0.2
284.00446	0.1
284.03244	9.6
285.04016	9.2
286.04486	0.7
431.09830	18.5
432.10217	3.0
432.18674	0.3
444.24432	0.2
453.17871	0.2
494.17459	0.8
495.19492	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	493.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.2
56.92608	0.4
57.03448	4.8
59.01377	35.3
60.01715	0.8
61.98817	2.5
66.86851	0.4
68.99818	0.6
69.03472	0.5
69.51866	4.0
71.01386	9.6
72.99304	3.3
73.02944	3.6
75.00873	8.9
79.95749	1.5
83.01401	1.6
83.05046	0.5
84.02180	0.9
85.02956	34.3
86.03280	0.8
87.00876	3.9
89.02435	2.8
93.03452	0.7
95.01385	3.2
95.95245	1.0
96.96019	21.9
99.00893	5.7
99.04547	0.4
101.02461	2.1
103.00380	1.5
111.00888	1.2
113.02470	8.7
115.00381	1.9
117.01950	1.3
119.03544	0.6
120.01290	0.6
121.02979	0.5
125.02426	0.5
129.01949	3.4
130.02307	0.6
131.03510	0.7
137.09749	0.8
138.97057	0.9
139.11308	11.2
140.11630	0.6
147.03011	3.0
152.01199	0.4
155.10779	4.1
157.01489	0.6
161.04549	1.3
167.03546	1.0
173.01007	0.7
175.02513	1.1
179.05623	0.4
181.12334	5.8
183.10278	11.0
184.10629	0.5
191.01988	12.7
199.09738	0.7
199.13414	1.1
201.11346	0.5
209.03111	1.1
214.98315	0.4
225.11368	2.8
231.05124	1.3
241.00238	2.6
243.12372	4.5
249.06145	10.2
250.06445	0.7
267.07397	0.8
299.14990	0.5
301.20438	0.7
317.16040	3.2
361.15182	3.2
361.22467	1.6
368.04236	0.4
382.09839	0.4
406.03943	0.5
431.19189	1.2
433.17242	2.4
433.24121	0.7
458.42154	0.5
475.18008	3.0
476.18735	0.7
493.19116	100.0
494.10242	2.0
494.19431	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	493.1747
Annotation	WZ4002
Peak:m/z	Relative Intensity
53.31404	0.5
55.01880	0.9
57.03183	0.4
57.03446	3.0
59.01379	15.3
61.98835	8.2
64.57265	0.5
67.90447	0.5
69.03448	0.9
69.58953	0.5
71.01385	11.8
71.04979	0.5
71.73798	1.0
72.99319	1.6
73.02960	2.3
75.00889	2.3
79.95746	18.5
80.96510	1.5
83.01385	2.7
85.02961	16.4
86.03287	0.6
87.00870	1.6
88.04049	0.6
89.02454	4.5
95.01377	0.8
95.95244	22.7
96.96024	76.4
97.02950	0.9
98.95608	1.3
99.00867	1.3
101.02455	8.4
101.24799	0.5
111.00883	2.3
113.02480	5.2
115.00357	0.5
119.03517	2.0
119.86526	0.5
122.97613	0.6
125.02463	0.7
129.01987	4.4
131.03519	0.8
138.97081	3.2
141.95790	0.6
147.03000	1.1
150.97101	5.1
151.97896	2.5
161.04622	0.6
164.98569	0.6
177.04062	6.5
180.98169	1.0
191.01997	2.5
194.99713	0.7
205.03577	2.8
213.00688	0.9
222.99135	2.5
225.00676	1.5
241.00253	12.4
242.00548	0.9
248.38528	0.6
256.99707	5.6
267.07339	0.6
267.26892	0.5
287.22275	1.1
325.05820	1.6
345.26328	0.7
361.14160	0.8
413.21790	4.8
414.22028	0.6
431.17966	0.5
449.18289	0.7
463.67532	0.5
493.17313	100.0
494.17706	17.0
494.25873	0.9
494.27628	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30521	0.3
57.03448	7.3
58.00599	0.4
59.01378	21.6
59.51003	0.3
60.01712	0.4
61.98841	1.5
65.77347	0.3
67.45148	0.3
69.03489	0.3
69.73293	0.3
69.91549	0.9
69.91956	0.6
71.01389	5.7
72.36834	0.3
72.99309	1.3
73.02959	1.8
73.63721	0.3
74.91579	0.3
75.00874	1.2
78.95893	0.4
79.95744	6.9
80.96526	3.5
81.03472	0.5
82.31509	0.3
83.01393	1.8
84.02181	0.3
85.02957	14.1
86.03240	0.4
87.00887	1.0
88.98814	0.3
89.02464	2.0
93.03477	0.6
95.01396	0.5
95.95238	2.0
96.96023	100.0
97.02934	0.5
98.95611	2.2
99.00892	1.0
99.04530	4.4
101.02452	5.3
101.06066	0.8
103.00412	0.5
107.05045	8.5
108.05370	0.4
109.02981	0.4
109.06568	0.4
111.00882	0.6
113.02470	2.2
115.00381	0.3
119.03544	0.5
119.05038	0.6
120.01260	0.6
122.97586	0.7
123.04517	1.5
125.02454	1.3
129.01979	1.9
129.10254	0.3
134.03735	0.3
135.04541	0.5
136.05399	0.4
137.02458	0.3
138.97095	1.2
143.03543	0.6
145.03069	0.5
147.03024	1.8
147.04517	0.4
148.05325	0.6
149.02481	0.3
149.06096	0.4
150.97047	0.9
152.01158	1.0
152.98659	0.9
159.44025	0.3
161.04578	2.7
163.04059	0.4
163.07671	0.6
164.98647	3.4
166.05125	0.9
167.03522	3.8
173.00980	0.5
175.03996	0.3
177.04086	0.5
178.07715	0.3
180.98100	1.0
191.01996	5.4
191.03528	0.5
193.05128	0.9
198.99326	0.5
209.03117	1.3
219.03003	0.5
222.99216	1.0
225.00813	0.4
225.14955	0.3
226.15106	0.3
229.04945	0.4
241.00227	6.2
256.99640	0.7
267.07147	1.0
267.11362	0.4
271.06107	1.7
283.01324	2.1
301.11923	0.3
311.68723	0.3
313.07202	8.6
314.07495	0.9
323.04468	0.4
325.05884	1.5
331.08249	0.5
331.12729	0.6
331.24942	0.4
335.05957	0.3
345.22882	0.4
349.05911	1.3
373.22153	0.6
407.09891	0.7
433.08191	0.5
433.15421	1.1
433.24292	0.6
451.16415	29.2
452.16690	3.2
463.16614	0.4
474.60312	0.3
493.10248	24.3
493.17459	61.6
493.29694	2.3
494.10483	3.4
494.17816	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	492.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
58.10840	0.3
59.01378	3.0
60.01717	0.4
61.01804	0.7
61.98830	100.0
67.98987	0.3
69.63943	2.5
71.79675	0.4
78.25952	0.3
88.45306	0.3
93.67654	0.3
95.34341	0.2
96.73689	0.3
98.20614	0.6
128.52177	0.3
141.88559	0.3
184.62057	0.3
203.49084	0.3
518.12378	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31623	0.7
59.01377	1.7
61.58736	0.7
61.98832	100.0
71.73378	1.0
72.59454	0.8
89.56241	0.8
91.35294	0.7
96.96035	1.0
100.54703	0.8
200.09247	0.7
230.03630	0.7
262.56259	0.8
299.73175	0.7
305.14694	0.7
334.04724	0.8
339.19650	0.8
368.10132	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53093	0.7
55.01866	0.8
57.03448	4.4
59.01379	100.0
59.19055	0.7
60.01704	1.6
61.98829	1.7
62.60062	0.7
69.03463	0.8
71.01389	22.6
72.01742	1.1
72.99316	2.3
73.02952	25.8
74.03282	0.7
75.00890	2.1
77.35992	0.7
79.95741	2.6
83.01403	8.2
85.02957	11.2
87.00884	2.9
89.02451	7.9
93.03477	1.3
95.01392	2.0
95.05074	0.8
96.96022	50.5
97.02917	1.3
98.20655	1.8
98.95614	1.8
101.02450	25.7
103.00382	1.6
111.00911	1.1
113.02468	10.5
119.03515	3.5
119.05044	2.8
120.01299	1.3
121.02985	1.6
125.02441	0.9
131.03535	2.2
138.01979	3.2
138.05621	1.6
138.97102	1.2
143.03494	2.9
145.02963	1.4
147.03029	1.4
147.04501	1.0
149.02519	0.8
149.04562	3.5
152.98654	3.0
161.04546	7.1
163.04047	1.8
165.01939	1.2
165.04153	0.8
165.05539	1.0
167.10782	2.2
179.03537	1.2
179.05602	2.4
180.98228	0.9
191.01952	2.4
191.03517	10.1
194.05795	1.4
199.07671	1.2
209.08176	5.0
210.91273	0.8
213.09161	1.0
215.07115	1.7
241.00233	19.1
241.53136	0.9
242.00664	0.9
243.06587	13.3
244.07094	1.0
249.06023	1.4
251.05734	1.0
253.13896	1.0
257.08270	3.8
267.07205	1.5
270.05359	1.7
281.06671	1.3
283.01196	1.4
285.07675	58.4
286.08060	6.0
371.13513	1.2
387.20236	1.7
389.14417	0.9
405.04843	0.9
405.21237	2.7
431.15518	1.6
447.06079	3.6
447.22421	6.1
491.07648	10.5
491.14908	3.5
492.14825	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	491.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55330	0.7
57.03444	1.9
58.00588	1.1
59.01379	100.0
60.01712	1.6
67.88423	0.7
68.12996	0.7
69.03519	0.8
69.66896	3.7
69.67326	2.1
71.01382	18.3
72.99356	0.9
73.02946	9.4
75.00881	1.7
79.95782	1.0
83.01416	3.0
85.02950	8.1
87.00897	2.1
89.02451	9.6
95.01426	1.2
96.96021	18.0
96.96604	1.3
99.00892	1.7
101.02447	12.4
103.00403	0.9
113.02449	9.6
113.64488	0.8
114.02824	0.8
119.03521	3.9
119.05039	1.2
125.02501	1.0
139.07678	1.1
143.03514	1.7
149.04597	1.0
152.43721	0.7
153.09232	3.7
161.04570	4.0
164.76688	0.8
173.00935	0.7
179.05739	0.9
191.02055	0.9
193.74292	0.9
197.11899	1.1
209.11824	0.7
221.06851	0.8
240.98097	1.1
241.00124	4.6
243.15994	4.3
267.07117	1.5
283.01300	1.4
357.14716	1.2
387.20200	13.8
388.20880	1.4
405.05008	0.8
405.21304	6.0
418.70288	0.7
447.06192	2.3
447.22321	16.2
448.22598	2.4
491.05261	1.4
491.16928	8.6
492.18320	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	491.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.6
58.86246	0.4
59.01377	7.7
61.98837	3.3
71.01389	4.5
71.21879	0.8
72.99305	0.6
73.02966	0.7
75.00893	0.5
79.95742	35.4
80.96517	2.0
83.05010	0.5
85.02960	3.3
87.00913	0.4
88.03984	0.4
88.98808	0.4
89.02483	0.7
95.95243	46.2
96.96022	66.3
97.02959	0.4
101.02454	1.4
113.02480	1.0
122.97620	1.4
138.97108	4.5
141.95776	0.8
150.97086	17.1
151.97878	6.8
152.98657	0.5
161.02481	0.6
164.98602	0.8
173.55847	0.4
176.98668	0.9
177.04092	2.2
183.96849	0.5
194.99753	0.6
211.17105	0.6
213.00807	1.1
222.99174	3.7
225.00725	1.9
241.00233	9.6
256.99741	4.1
270.26810	0.5
311.82895	0.4
326.06693	1.0
395.13992	0.7
409.11853	1.8
425.13632	0.6
491.19672	100.0
492.20026	15.8
492.25732	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25120	0.4
55.01878	1.6
57.03442	2.3
57.58629	0.5
58.00584	1.1
59.01377	66.7
60.01708	1.4
61.98822	2.9
62.02398	0.4
62.36156	0.4
69.03452	0.6
71.01384	26.7
71.72861	0.6
72.01725	0.4
72.99313	2.9
73.02953	4.3
73.52435	0.3
75.00884	1.7
79.95742	1.3
83.01395	2.6
83.05029	0.5
85.02960	12.5
86.00140	0.5
87.00871	2.0
89.02449	18.1
91.01917	1.0
95.01424	0.5
95.95249	1.1
96.40282	0.4
96.96017	11.3
99.00888	1.3
99.04576	0.5
101.02464	4.2
103.00401	0.4
108.02197	1.8
109.02222	0.7
109.02962	13.0
111.00939	0.7
113.02452	3.8
119.03502	0.9
119.17274	0.4
120.01285	1.0
122.36359	0.4
123.04555	3.3
124.01708	0.6
125.02486	0.5
125.09752	0.5
129.01965	0.9
131.03517	1.7
135.03033	1.5
135.04517	0.4
137.02472	0.4
138.97072	0.6
143.03528	0.5
147.03038	0.6
149.04578	1.3
158.03806	0.4
159.04543	5.8
161.04648	0.9
161.06058	0.5
167.01567	0.4
171.04591	0.9
172.05321	4.2
173.06081	7.6
175.71884	0.4
179.05681	0.4
181.12358	1.0
187.07669	4.3
189.05528	3.8
190.04927	0.5
190.06389	1.1
191.01901	2.0
191.07175	1.7
201.05612	0.7
202.06252	0.5
203.07149	2.1
204.04263	0.4
205.08784	0.6
209.11899	0.6
213.05447	0.5
225.05563	0.6
225.14951	5.9
237.05707	0.7
240.04343	1.8
241.00284	1.5
241.05063	9.5
242.05457	0.7
249.06003	0.6
253.04990	2.6
253.08780	0.5
255.06604	5.6
256.07193	0.8
263.07135	1.2
264.08063	0.5
265.08606	0.9
267.06644	2.6
268.07278	2.2
269.08115	1.9
269.14017	1.4
279.06647	1.2
280.07486	1.7
281.08212	4.3
282.08765	0.7
283.09808	2.2
284.10425	0.5
293.08231	0.4
295.09747	8.5
296.10388	3.3
297.11078	1.0
298.08481	1.3
299.09210	5.6
300.09723	0.9
308.10736	0.5
309.11163	0.5
311.09262	7.9
311.12692	0.9
312.09833	1.1
313.10809	12.4
314.11261	1.4
317.19418	0.5
325.10815	1.5
326.11575	8.8
327.12125	1.6
328.09622	0.5
329.10312	4.3
329.16122	3.1
330.10928	0.6
341.13943	14.7
342.14462	1.3
343.11792	2.0
343.21335	0.6
344.12622	35.2
345.13095	3.8
359.14999	100.0
360.15369	11.2
371.20776	1.7
389.21848	1.0
405.08701	0.4
431.22791	1.6
491.19339	99.8
492.19733	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	491.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.0
69.03432	0.3
69.86982	1.1
69.87328	0.2
71.01391	4.0
73.02953	3.6
75.34673	0.2
87.00892	1.6
89.02456	23.8
90.02795	0.5
98.20622	0.3
98.90266	0.2
101.02498	0.3
103.04021	1.7
124.02111	0.2
131.03531	7.3
132.03896	0.3
149.04584	100.0
150.04933	2.8
202.96819	0.2
236.85088	0.2
272.18332	0.2
380.63428	0.2
381.49213	0.2
407.67429	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1921
Annotation	Schizandriside
Peak:m/z	Relative Intensity
55.01831	1.3
57.03398	1.7
58.00541	1.7
59.01326	35.0
59.01654	2.3
60.01670	0.9
61.98800	0.4
66.45145	0.4
70.28880	1.7
71.01387	21.2
72.99252	1.5
73.02952	2.5
75.00822	0.9
79.48399	0.4
83.01342	1.7
85.02953	8.8
87.00829	1.4
89.02451	14.8
91.01825	0.5
95.01367	0.5
96.96014	3.5
98.20622	0.6
99.00816	0.9
101.02441	2.9
108.02176	1.1
109.02967	11.6
111.00821	0.6
111.04469	0.7
113.02457	3.0
119.03443	0.5
121.02892	0.4
123.04552	2.2
124.01664	0.5
129.01926	0.8
131.03464	1.4
144.05699	0.5
147.02934	0.6
149.04517	0.9
159.04512	4.3
161.04510	0.5
171.04503	0.5
172.05322	3.8
173.06071	6.2
174.06415	0.6
185.06050	0.7
187.07648	4.2
189.05559	3.4
190.06274	0.8
191.01947	1.7
191.07028	1.4
203.07005	1.9
205.08661	0.7
213.05534	0.5
225.05521	0.8
239.94751	0.4
240.04251	1.2
241.00308	0.6
241.05038	7.0
242.05453	1.0
243.15829	0.5
247.69670	0.4
249.06035	1.5
251.06873	0.4
253.05109	2.6
255.06638	4.4
256.06964	0.6
263.07047	0.8
267.06799	2.9
268.07245	2.3
269.08102	1.6
279.06833	0.9
280.07321	1.6
281.08167	4.5
282.08670	0.9
283.09619	2.6
293.08066	0.6
295.09775	7.4
296.10410	3.4
297.10999	0.5
298.08478	0.7
299.09155	4.1
300.09528	0.7
310.08514	0.6
311.09271	6.6
311.12726	0.9
312.09705	1.5
313.10803	10.3
314.11182	1.6
324.23013	0.5
325.10770	1.5
326.11600	7.5
327.11981	2.1
329.10333	3.8
341.13950	12.1
342.14127	1.4
343.11868	1.7
344.12646	28.8
345.13132	3.7
359.14987	80.7
360.15353	11.0
370.72955	0.5
447.22385	2.5
491.19214	100.0
492.19495	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.5
55.10718	0.4
57.03438	2.0
59.01097	0.6
59.01379	9.2
60.99292	0.4
61.98827	0.7
68.08233	0.4
69.03457	1.1
71.01389	4.3
71.40528	0.4
71.72222	0.6
72.72564	0.4
73.02945	2.3
75.00867	1.1
79.05570	0.5
79.95746	0.9
80.96538	0.4
81.03055	0.5
81.03477	5.9
83.01393	8.5
83.05055	0.5
85.02968	5.7
87.00871	0.9
88.98827	2.1
89.02444	1.8
93.03459	2.8
95.01393	1.8
95.05036	3.7
95.62058	0.5
96.96022	14.7
97.02957	3.9
99.00887	1.0
99.04524	1.9
101.02454	2.2
103.00385	1.1
107.01402	0.9
107.05038	2.0
108.02152	0.9
109.02975	2.6
109.06599	1.4
111.00915	0.6
111.04530	2.0
113.02484	2.7
114.99539	0.4
115.00323	0.5
117.03468	0.5
119.05027	3.1
120.01279	1.0
121.02980	2.6
121.06631	0.7
122.03738	0.9
123.00873	0.6
123.04540	13.7
124.04858	0.5
125.02463	7.9
133.06642	0.6
134.03766	0.5
135.04533	3.8
137.02505	3.4
137.06097	6.9
138.06534	0.5
139.04036	7.1
141.05597	1.2
145.03011	0.5
147.04532	1.9
149.02518	0.7
149.04564	0.8
149.06133	1.8
150.03253	0.6
151.04018	2.7
151.07634	0.9
153.05595	1.3
155.03526	0.9
157.06644	0.8
159.04539	0.7
161.04712	0.4
161.06102	1.5
163.04022	4.2
164.04800	1.3
165.01944	3.1
165.05603	3.9
167.03526	25.8
168.03842	1.3
175.07632	0.5
177.05583	1.9
179.03508	6.2
179.07178	0.7
180.04259	1.4
181.05069	2.9
189.05602	1.7
191.01982	1.0
191.03535	5.6
192.04218	0.5
193.05109	4.2
194.05623	0.7
195.06552	0.4
197.04594	3.9
205.01469	0.7
205.05092	1.0
207.02950	0.7
207.06647	1.3
209.04575	39.6
210.04883	2.8
215.07150	0.8
219.02991	1.0
221.04576	10.2
222.04950	1.0
223.06097	1.3
233.04575	1.4
235.06091	2.9
239.05614	12.7
240.06000	1.2
241.00235	3.0
243.06619	5.0
244.06853	0.5
248.03233	1.1
249.03900	1.1
249.06270	0.6
251.05605	100.0
252.05893	7.1
257.08206	2.0
263.05527	5.7
265.07159	0.9
267.07239	0.9
269.06610	1.2
270.05209	0.7
281.06674	65.0
282.07031	5.6
283.01285	1.8
285.07703	22.1
286.07999	2.7
293.06699	3.7
311.07730	18.7
312.07990	2.0
323.07776	1.9
335.07870	1.1
349.38626	0.5
353.08765	6.0
354.09003	0.5
371.09830	19.3
372.10281	2.1
378.91531	0.6
383.09918	3.7
401.10965	1.9
447.06088	2.7
473.12927	1.7
478.43066	0.5
491.05093	1.1
491.13693	14.6
492.14307	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	491.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47874	0.2
55.01878	0.5
57.03437	0.6
59.01377	13.9
60.01711	0.4
60.99307	0.3
61.98824	0.9
71.01381	4.6
71.05003	0.2
71.72758	0.4
72.99298	0.5
73.02940	2.8
75.00864	0.9
79.01896	0.4
79.95730	0.7
83.01384	0.7
85.02958	4.3
87.00890	1.3
88.57869	0.2
88.98803	2.3
89.02451	2.5
93.03465	3.3
95.01391	0.7
96.96019	4.8
96.96991	0.2
97.02960	0.8
98.95618	0.4
99.00885	0.6
99.04534	0.3
101.02454	2.9
103.00371	0.4
105.01945	0.9
107.19228	0.2
109.02969	0.4
111.00843	0.2
113.02458	2.7
117.03481	0.7
119.03494	0.7
119.05029	0.8
120.01250	0.8
121.02947	0.8
123.04539	0.5
128.87454	0.2
133.06660	0.3
135.04517	0.7
137.02441	0.8
139.04041	1.3
143.03474	0.3
145.02957	1.6
147.03085	0.4
147.04523	1.7
149.02477	0.3
149.04594	0.3
156.05775	0.3
157.06580	1.1
159.04515	1.0
161.04565	0.9
163.04028	0.8
163.11342	0.3
165.01942	1.4
165.04054	0.6
165.05510	0.3
170.07333	0.4
171.08174	1.2
175.02492	0.3
175.07617	0.7
179.05577	0.3
191.03506	16.2
192.03865	0.9
197.06059	0.6
199.07701	1.5
201.05536	0.5
209.03040	0.3
213.09206	1.4
215.07129	3.5
224.43933	0.2
225.05537	0.4
226.06543	0.3
227.03235	0.2
229.08701	0.9
241.00220	0.7
241.05017	0.4
241.08664	0.7
243.06609	20.6
243.16006	0.5
244.06967	1.4
249.06168	0.4
256.99545	0.4
257.08157	8.7
258.08459	0.9
267.07047	1.0
269.04590	0.4
270.05283	3.3
283.05954	0.3
285.07663	100.0
286.08008	9.9
315.14291	0.2
329.06723	1.2
359.14581	0.3
371.13162	0.4
387.20239	4.3
388.20297	0.5
405.04532	0.3
405.21219	1.7
411.13647	0.3
447.13184	0.4
447.22488	1.7
453.88248	0.3
491.11325	4.9
491.18604	2.0
492.12610	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.6
55.06105	0.2
57.03449	1.0
58.00584	0.4
59.01380	35.6
60.01717	0.6
61.98833	1.4
69.65455	0.9
69.65879	1.2
71.01385	7.6
72.99324	1.1
73.02952	3.4
74.02473	0.4
75.00896	1.4
79.01863	0.4
79.95747	0.8
80.96568	0.3
83.01405	1.1
83.05027	0.3
85.02956	5.8
86.03302	0.4
87.00898	1.3
88.98808	0.5
89.02451	4.2
93.03463	2.9
95.01401	0.8
96.96020	12.2
97.02982	0.9
98.19838	0.3
99.00884	0.9
99.04520	0.8
101.02448	5.1
103.00394	0.5
103.05559	0.4
107.05023	0.4
108.02168	0.3
109.02976	0.7
111.00914	0.3
113.02460	4.8
117.03483	0.4
119.03531	1.3
119.05024	1.4
120.01254	0.7
121.02998	1.0
123.04537	0.8
125.02480	0.5
129.01947	0.5
131.03508	0.3
135.04549	0.7
137.02461	0.8
138.97131	0.4
139.04037	1.2
143.03568	0.5
145.02974	1.3
147.03133	0.4
147.04555	1.5
149.02454	0.3
149.04581	0.5
150.03224	0.5
153.09245	1.0
156.05843	0.4
157.06628	1.4
159.04535	1.0
161.04585	1.3
161.05905	0.4
163.04030	1.1
165.01953	1.2
165.05591	0.5
170.07358	0.4
171.08237	1.4
173.06085	0.4
175.02556	0.4
175.07736	0.6
179.05634	0.5
191.01999	0.9
191.03508	16.4
192.03860	1.1
193.07388	0.3
197.06039	0.3
199.07701	1.6
201.05577	0.5
209.02968	0.3
213.09189	1.8
215.07101	3.1
216.07396	0.3
222.99152	0.4
227.09392	0.3
229.08711	1.2
241.00238	2.0
241.08615	0.7
241.10858	0.5
243.06610	21.4
243.16034	0.8
244.06943	1.9
249.06055	1.5
256.99719	0.3
257.08179	8.8
258.08487	1.0
266.06500	0.7
267.07214	2.1
268.07507	0.5
269.04404	0.4
269.07770	0.4
270.05328	3.4
283.01297	1.0
283.06213	0.4
285.07678	100.0
286.08032	8.8
329.06824	1.8
371.12521	0.4
387.20267	3.4
388.20752	0.4
405.05103	0.4
405.21332	2.6
406.21671	0.3
431.22775	1.0
432.23233	0.3
447.05972	1.1
447.22400	5.3
448.22687	0.5
473.16812	0.3
491.11954	4.8
491.17361	6.7
492.11978	0.4
492.17670	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.6
59.01380	20.3
62.07628	0.3
69.03465	0.5
71.01388	10.5
71.50295	0.4
72.99305	1.0
73.02954	1.0
79.95277	0.7
79.95742	13.8
80.96526	11.1
83.01396	0.9
85.02953	2.1
87.00881	1.7
94.98085	0.7
95.95226	0.5
96.96022	100.0
97.02951	0.7
97.95988	0.7
99.00886	1.0
101.02453	2.6
111.00932	0.5
113.02473	1.7
119.05038	0.6
120.49266	0.3
122.97589	2.2
125.02460	1.3
137.96326	0.7
138.97087	7.4
143.03529	0.6
148.04141	0.4
148.05324	7.3
149.05693	0.3
150.97090	6.2
155.03462	0.5
162.97037	0.4
163.04102	0.3
163.07689	2.9
164.98654	0.8
166.96565	1.3
180.98135	0.9
222.99187	2.7
224.58588	0.3
241.00233	18.6
242.00572	1.1
283.01288	90.3
284.01584	5.1
285.98233	0.3
327.00345	0.7
405.08652	1.3
447.09674	17.5
448.09930	2.3
491.08701	11.5
491.15695	1.0
492.09088	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	491.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	6.2
64.97105	0.2
65.12432	0.2
69.93301	1.3
71.01379	0.9
72.99321	0.2
73.02953	0.8
74.82735	0.2
79.95741	3.3
80.96519	1.4
83.01379	0.3
85.02978	1.0
87.00874	0.6
95.95251	0.8
96.96021	100.0
97.95936	0.5
98.20589	0.4
99.00873	0.3
101.02458	1.0
103.00377	4.8
113.02489	0.5
121.46030	0.2
122.97598	0.5
134.97597	1.1
138.97099	1.4
143.03529	0.2
148.05321	8.0
149.05629	0.3
150.97070	0.8
152.32610	0.2
152.98627	4.4
163.07675	4.2
164.98628	0.4
166.96620	0.3
176.98701	0.2
180.98122	1.7
193.49670	0.2
194.99750	0.6
222.99248	0.6
227.10580	0.2
229.02420	0.2
241.00233	25.8
242.00595	0.7
263.56195	0.2
283.01279	4.6
291.11234	0.3
387.07251	0.4
405.08615	34.1
406.08905	3.3
447.09650	25.3
448.09937	3.6
460.18817	0.4
473.01852	0.3
473.07275	1.0
491.08661	16.2
491.15402	0.9
492.08963	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	489.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01716	1.3
60.40202	0.3
61.37391	0.3
61.98822	0.6
69.39917	3.8
83.00891	0.3
91.04047	1.0
115.49040	0.3
160.39804	0.3
340.67664	0.3
355.32300	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	491.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.4
59.01379	7.9
61.98821	1.0
70.31003	0.9
71.01374	1.6
72.99300	0.4
73.02940	0.6
75.00855	0.3
79.95747	4.2
80.96539	1.4
83.01406	0.3
85.02954	2.8
87.00877	0.6
89.02443	0.6
94.85909	0.2
94.98122	0.3
95.95233	1.0
96.96020	100.0
97.02994	0.3
97.95955	0.4
99.00922	0.3
101.02458	1.2
103.00379	4.5
113.02472	0.8
122.97584	0.6
129.01962	0.4
131.31268	0.2
134.84419	0.2
134.97591	1.1
138.50581	0.2
138.97061	1.3
143.03493	0.3
148.05316	8.1
149.05748	0.3
150.97118	0.8
152.98650	4.2
163.07655	4.3
164.08009	0.3
164.98659	0.4
166.96588	0.5
180.98138	1.5
191.01917	1.1
194.99727	0.6
204.97997	0.2
213.00833	0.2
222.99202	0.7
225.00850	0.3
241.00226	27.8
242.00520	1.0
256.99603	0.3
257.30966	0.2
283.01288	5.1
284.01978	0.2
327.00134	0.3
329.10822	0.4
344.83459	0.2
405.08594	32.8
406.08969	3.5
425.13257	0.3
447.09647	24.2
448.09985	3.6
449.27225	0.3
473.07770	1.6
491.08856	15.2
491.16037	4.1
491.28668	1.0
492.09131	2.1
492.16766	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87778	0.1
57.03443	0.4
59.01380	100.0
60.01712	1.1
61.98837	0.2
67.06489	0.1
69.03470	0.2
71.01387	1.6
72.99339	0.2
73.02943	0.8
75.00890	0.5
79.95731	0.4
82.71270	0.1
83.01403	0.3
85.02963	2.2
87.00894	0.4
89.02470	0.6
95.95280	0.2
96.96025	2.5
96.96598	0.2
98.95614	0.3
99.00890	0.4
99.04520	0.2
101.02426	1.3
111.00869	0.2
113.02467	1.5
119.03529	0.3
119.05054	0.2
129.01985	0.2
147.03023	0.2
149.04543	0.2
151.11371	0.4
158.91344	0.2
161.04596	0.7
161.44020	0.2
166.53687	0.2
191.02013	0.5
203.05481	0.2
205.12282	0.2
221.87370	0.2
225.15065	0.4
230.39386	0.2
241.00220	0.2
241.14542	0.2
249.06293	0.8
266.54980	0.2
267.07233	1.9
302.67599	0.2
369.19070	0.2
385.18802	0.4
387.20361	0.7
403.19867	0.2
429.21478	0.5
489.07971	0.3
489.14960	1.5
489.23831	0.2
490.16354	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16357	0.4
59.01378	100.0
60.01720	1.3
70.91814	1.0
91.04030	1.3
133.39244	0.4
145.79803	0.4
151.83388	0.4
152.21095	0.4
202.16461	0.3
243.07899	0.4
249.52182	0.4
268.87708	0.4
276.71048	0.4
304.10059	0.5
355.32117	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	489.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67600	0.3
55.01873	1.2
56.44540	0.3
57.03451	1.2
58.00602	0.4
59.01378	100.0
60.01713	1.3
64.65329	0.3
69.03521	0.3
69.39112	1.4
69.39539	2.4
71.01383	13.2
71.01768	0.8
71.04956	0.3
71.25230	0.3
72.99323	0.8
73.02948	4.3
75.00879	0.8
79.32632	0.3
83.01384	3.2
85.02960	8.8
85.03457	0.6
86.00070	0.5
86.03321	0.3
87.00892	1.4
89.02444	3.5
91.68024	0.4
95.01398	1.6
96.96016	4.1
96.96501	0.3
97.02973	0.5
98.03731	0.4
98.20682	0.5
99.00889	2.4
101.02455	12.7
104.91176	0.4
111.00915	0.4
113.02458	6.9
114.02786	0.5
119.03531	1.3
125.02451	0.7
129.01987	0.5
131.03522	0.4
143.03551	0.8
147.03043	0.4
149.04573	0.4
151.54333	0.4
159.03030	1.0
159.43161	0.4
161.04581	5.6
191.02074	0.4
197.15623	0.3
239.16496	3.7
241.00169	0.5
249.06120	0.6
267.07172	2.3
354.76770	0.3
359.20767	6.3
360.21210	0.8
385.11722	0.6
387.20258	0.6
401.14667	0.8
401.21808	13.9
401.26889	0.7
402.22052	2.0
403.19891	2.8
429.21265	1.0
445.20883	6.5
446.10031	0.4
446.21222	1.0
489.14963	2.0
489.21298	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.6
56.39505	0.5
57.03445	5.3
59.01378	100.0
59.29597	0.5
60.01707	1.3
61.98830	4.0
65.49475	0.5
67.01890	0.5
69.03458	0.9
69.45714	3.0
69.46137	2.1
69.91828	0.4
71.01387	10.7
72.99323	1.7
73.02949	2.8
75.00879	4.4
78.95914	0.6
79.95750	1.5
83.01398	2.1
83.05038	2.0
84.01532	0.6
85.02954	9.8
87.00878	2.6
89.02444	3.6
89.13622	0.6
92.35336	0.5
95.01426	1.4
95.95287	1.3
96.96020	19.5
97.02947	0.7
98.19902	0.9
98.95606	2.5
99.00887	3.6
99.04511	3.9
101.02438	5.8
106.06637	1.3
111.00859	0.8
113.02462	7.6
114.02785	0.6
115.00395	0.9
117.01968	0.7
119.03535	1.8
125.02489	2.2
128.03572	1.1
129.01984	1.2
134.06120	0.9
137.02467	0.7
138.97121	1.0
143.03564	0.9
143.04581	0.6
160.04070	1.0
161.04596	1.2
162.02417	0.7
177.12886	1.6
191.01945	1.2
195.13914	16.3
196.14273	1.0
209.11870	0.8
221.11824	0.7
225.14984	0.6
234.01416	0.5
239.12935	0.7
241.00284	2.4
249.06203	3.7
256.99863	1.4
263.08246	1.0
267.07257	1.0
277.09778	1.0
291.07718	4.0
306.10229	3.7
313.12054	1.2
313.16678	1.6
341.23502	1.0
345.19363	1.2
350.09042	4.6
357.22507	0.6
386.15680	0.6
387.20236	6.9
388.20908	0.9
401.11310	0.9
403.10294	0.6
429.21353	1.8
445.20535	1.1
446.17163	1.2
447.26068	0.6
488.69510	0.8
489.01385	0.7
489.19760	30.8
489.69226	0.6
490.16364	4.7
490.20831	2.3
493.01678	0.6
504.38559	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.9
57.03443	3.9
59.01379	58.6
60.01702	0.9
61.98835	6.1
68.92140	0.6
69.03452	0.8
71.01395	7.5
71.05031	0.5
71.73307	1.1
72.99297	1.3
73.02945	7.7
75.00854	1.8
79.95743	2.9
83.01384	1.5
85.02962	17.6
87.00892	1.1
88.04049	0.6
88.90902	0.5
89.01990	0.8
89.02451	7.6
89.19326	0.6
93.03483	0.6
95.01398	0.6
95.05015	2.8
95.95232	1.7
96.96022	21.5
97.02945	0.5
98.95585	1.5
99.00864	0.8
99.04499	1.1
101.02467	3.8
103.03995	0.8
107.05016	0.7
109.06605	0.6
111.00867	1.5
113.02472	3.0
113.06156	0.7
115.00370	0.9
116.92848	1.9
119.05019	1.2
120.01240	0.9
121.02946	2.0
129.01915	3.0
131.03532	2.9
134.03685	0.8
135.04553	0.9
136.07700	0.9
138.97090	1.3
143.03542	0.8
145.02966	1.6
147.03009	1.5
149.04576	21.8
150.04849	1.1
151.05107	0.6
160.04010	0.7
161.04556	1.0
161.09731	0.6
163.11307	5.8
173.01016	0.8
179.10794	2.4
180.11166	1.5
181.05035	0.5
181.12379	25.4
182.12660	2.0
191.02014	4.1
193.05057	1.1
207.10220	1.0
224.10207	0.7
225.11325	100.0
225.14983	2.9
226.11679	7.4
241.00308	4.1
246.25046	0.6
255.03049	1.4
256.99756	1.8
269.13187	0.7
271.02481	3.0
273.18851	1.3
300.02728	6.3
301.03418	2.0
313.05670	1.1
322.61514	0.5
327.22113	0.8
339.14386	1.0
343.07083	1.0
355.13409	1.0
356.95123	0.5
357.15549	45.9
358.15765	4.3
396.12170	0.6
429.25775	0.6
430.86307	0.5
489.14627	3.7
489.19894	45.0
490.20490	5.9
490.30801	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.4
57.03444	0.7
59.01377	100.0
60.01723	1.1
61.43354	0.2
61.98846	0.7
65.62550	0.2
69.03460	0.3
69.54707	2.1
71.01386	3.8
72.99305	0.5
73.02954	1.4
75.00883	0.7
75.72546	0.2
79.95755	0.7
83.01423	0.7
85.02953	4.3
87.00893	0.5
88.04075	0.5
89.02465	1.1
93.03471	0.3
96.96014	8.7
98.19932	0.5
98.95613	0.7
99.04520	0.5
101.02448	2.0
103.00398	0.3
109.02981	0.3
111.00968	0.4
113.02475	2.2
115.00403	0.4
119.03515	0.6
119.05049	0.3
120.01299	0.4
121.03020	0.4
128.03548	0.4
129.01955	0.6
134.03726	0.4
135.04591	0.3
143.03635	0.3
147.03015	0.5
149.04584	0.6
161.04614	0.9
167.03445	0.3
179.10791	1.6
191.02022	1.0
194.05307	0.3
194.08253	0.3
195.01175	0.2
217.01550	0.3
223.09782	0.5
225.15015	0.4
241.00290	1.3
249.06148	0.4
267.07333	0.3
271.02448	0.3
275.01926	0.5
285.04141	0.6
323.29282	0.2
357.15521	0.5
369.12244	0.5
369.19272	1.2
387.20203	1.8
388.20911	0.4
399.07813	0.3
409.89056	0.2
429.21158	2.4
445.21030	0.3
447.09351	0.3
489.07928	1.8
489.16177	1.2
489.24594	0.3
490.16882	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56462	0.5
55.01883	1.7
57.03442	1.7
59.01379	100.0
59.78264	0.5
60.01723	1.5
63.34944	0.5
69.80244	1.9
69.80674	2.0
71.01385	17.1
73.02945	6.1
83.01395	3.2
83.55112	0.5
85.02956	9.4
87.00885	0.9
89.02455	4.1
91.77383	0.6
95.01408	2.0
96.96008	3.8
98.19839	0.6
99.00908	2.5
101.02453	15.4
108.62621	0.6
111.00919	0.7
113.02468	7.4
119.03539	1.4
125.02510	0.7
129.01944	1.2
143.03554	0.7
159.03049	1.2
161.04591	6.6
194.98845	0.6
195.87448	0.5
231.05106	0.6
239.16505	4.8
267.07306	2.3
311.48282	0.5
353.10434	0.7
359.20786	6.7
360.21249	1.1
401.21811	15.6
401.26877	0.8
402.22495	2.0
403.19852	3.2
428.17337	0.6
429.21674	0.8
445.20886	6.8
446.21289	0.9
489.16217	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	489.198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.9
57.03443	3.9
59.01379	58.6
60.01702	0.9
61.98835	6.1
68.92140	0.6
69.03452	0.8
71.01395	7.5
71.05031	0.5
71.73307	1.1
72.99297	1.3
73.02945	7.7
75.00854	1.8
79.95743	2.9
83.01384	1.5
85.02962	17.6
87.00892	1.1
88.04049	0.6
88.90902	0.5
89.01990	0.8
89.02451	7.6
89.19326	0.6
93.03483	0.6
95.01398	0.6
95.05015	2.8
95.95232	1.7
96.96022	21.5
97.02945	0.5
98.95585	1.5
99.00864	0.8
99.04499	1.1
101.02467	3.8
103.03995	0.8
107.05016	0.7
109.06605	0.6
111.00867	1.5
113.02472	3.0
113.06156	0.7
115.00370	0.9
116.92848	1.9
119.05019	1.2
120.01240	0.9
121.02946	2.0
129.01915	3.0
131.03532	2.9
134.03685	0.8
135.04553	0.9
136.07700	0.9
138.97090	1.3
143.03542	0.8
145.02966	1.6
147.03009	1.5
149.04576	21.8
150.04849	1.1
151.05107	0.6
160.04010	0.7
161.04556	1.0
161.09731	0.6
163.11307	5.8
173.01016	0.8
179.10794	2.4
180.11166	1.5
181.05035	0.5
181.12379	25.4
182.12660	2.0
191.02014	4.1
193.05057	1.1
207.10220	1.0
224.10207	0.7
225.11325	100.0
225.14983	2.9
226.11679	7.4
241.00308	4.1
246.25046	0.6
255.03049	1.4
256.99756	1.8
269.13187	0.7
271.02481	3.0
273.18851	1.3
300.02728	6.3
301.03418	2.0
313.05670	1.1
322.61514	0.5
327.22113	0.8
339.14386	1.0
343.07083	1.0
355.13409	1.0
356.95123	0.5
357.15549	45.9
358.15765	4.3
396.12170	0.6
429.25775	0.6
430.86307	0.5
489.14627	3.7
489.19894	45.0
490.20490	5.9
490.30801	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1038
Annotation	Quercetin 3-(4''-acetylrhamnoside)
Peak:m/z	Relative Intensity
57.03446	2.9
58.00584	0.3
59.01381	45.3
60.01720	0.7
61.98840	3.8
63.02409	0.9
64.53708	0.3
65.00336	1.2
69.03459	0.8
71.01390	7.6
71.01768	0.6
71.73112	0.7
72.99312	0.7
73.02950	4.5
74.02468	0.4
78.95895	0.4
79.95763	1.4
80.19995	0.3
80.96532	0.4
81.03431	0.4
83.01395	2.6
84.02183	0.5
85.02962	12.9
86.03292	0.4
87.00867	2.0
87.04510	0.3
88.04061	1.1
89.02459	3.2
91.01916	0.5
93.03452	0.5
95.01405	0.6
95.95240	0.6
96.96026	18.7
97.02962	0.6
98.95618	3.2
98.96467	0.6
99.00897	0.9
99.04553	0.5
101.02454	4.5
107.01415	2.3
108.02199	1.7
109.02976	1.5
109.06615	0.3
111.00889	0.9
113.02483	3.2
119.03551	1.0
119.05042	0.8
121.03013	3.4
123.04596	0.4
124.01684	0.4
125.02480	1.2
129.01982	2.6
131.03545	0.4
134.03716	0.5
135.00897	0.9
135.04539	0.8
135.11847	0.5
136.07663	0.4
137.02495	0.5
137.34566	0.3
138.97128	0.5
139.04070	0.4
143.03596	0.8
143.04698	0.4
145.02969	0.6
147.03030	1.5
148.01659	1.3
149.02362	0.7
149.04601	2.1
150.97107	0.5
151.00386	7.4
152.01024	0.4
153.01932	0.5
153.09210	0.4
155.10823	0.3
161.02473	0.5
161.04558	0.8
161.05980	0.5
163.00397	1.7
163.04005	0.7
163.11301	0.5
164.01134	0.7
165.05536	0.4
169.01469	1.0
173.00983	0.6
175.04028	0.9
178.99896	4.8
179.05670	0.4
179.10817	3.1
180.11168	1.7
181.12428	0.9
183.04536	0.4
183.10196	0.4
184.13364	0.4
191.00369	0.4
191.01935	2.2
191.50548	0.4
193.05104	0.8
193.66631	0.4
199.04037	1.2
201.05589	0.6
203.03561	0.5
209.11783	0.4
211.03964	0.9
215.03438	1.1
223.09712	1.1
223.13435	0.5
224.10008	1.0
225.11229	1.4
225.14867	0.7
226.02759	1.0
227.03511	3.0
228.03862	0.5
229.05014	0.6
241.00171	1.7
241.14377	0.5
243.00743	0.4
243.02980	11.2
244.00035	0.5
244.03459	1.1
245.04567	1.1
249.06194	0.8
254.02229	2.3
255.02982	26.6
256.03378	2.3
259.01239	0.4
267.07169	0.5
267.15802	0.5
271.02469	57.5
272.02878	6.0
273.03876	0.7
283.02362	1.1
285.04193	0.4
299.01926	2.2
300.02762	100.0
301.03427	30.4
302.03870	2.4
304.06900	2.1
304.57037	2.1
305.07150	0.6
313.05576	0.9
341.63333	0.4
356.14288	0.7
356.26624	0.3
357.15274	1.7
361.09485	0.5
369.19113	2.8
385.18613	0.6
387.20200	1.2
403.19608	2.1
429.08115	1.6
429.20352	1.7
429.25748	0.6
445.20834	8.8
446.21039	1.1
447.09201	1.3
475.92377	0.4
488.22348	1.1
488.28680	1.0
488.66248	0.4
489.10138	58.0
489.21631	1.5
490.10217	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	489.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	3.1
57.03444	12.9
58.00587	1.3
59.01379	67.9
61.98843	2.3
64.38214	0.8
67.01884	1.8
68.99825	1.2
69.03456	3.3
71.01387	41.3
71.05022	6.4
71.72992	1.8
72.99319	6.1
73.02946	10.6
75.00883	19.1
75.50540	0.8
78.95928	0.9
79.95770	2.2
80.96528	1.4
81.03488	3.9
83.01377	4.5
83.05047	2.4
85.02959	37.4
85.03455	2.0
87.00887	11.5
88.98814	1.5
89.02452	15.7
90.94629	0.9
91.04030	1.8
93.03486	1.3
95.01398	7.6
95.05025	5.0
96.96024	28.1
97.02982	1.8
98.95583	1.0
99.00884	14.0
99.04533	11.3
101.02456	16.4
103.00400	4.3
103.85789	0.9
109.02982	2.5
111.00945	1.4
112.01714	1.3
113.02465	43.5
115.00391	3.8
116.92866	1.7
117.01994	3.0
117.74854	1.1
119.03519	1.9
120.01236	1.2
121.06637	3.4
123.04605	1.2
125.02512	1.8
129.01991	3.7
131.03548	1.3
133.10371	1.1
135.08159	1.9
136.01651	1.6
139.00412	1.5
143.03519	1.5
147.04478	1.2
149.02473	1.0
149.04631	1.9
149.09717	1.7
151.11293	19.7
152.11664	1.2
153.08963	0.8
161.04558	7.4
165.05638	2.0
175.02527	3.6
177.09239	6.8
193.05125	1.1
194.12317	1.0
195.10268	8.3
197.15466	1.1
205.07097	1.2
207.05138	1.4
212.77579	1.0
231.05240	1.9
239.09346	2.5
239.16682	1.8
241.00290	1.6
241.14412	1.8
249.06137	27.3
250.06659	1.3
260.61386	0.9
265.12848	1.3
267.07202	73.4
268.07599	4.1
345.08798	2.3
359.20883	3.2
369.36462	1.0
374.12451	1.4
385.18839	1.2
401.21936	8.1
402.22058	1.3
415.12289	6.0
445.16559	11.9
446.17719	1.6
471.15079	2.2
489.16238	100.0
490.16608	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.4
57.03444	1.5
57.93902	0.5
58.02982	1.5
59.01378	71.2
60.01706	2.0
61.98829	7.9
69.03449	0.7
70.02979	1.3
71.01382	28.3
71.72907	1.0
73.02955	4.4
75.00900	1.0
75.97219	0.5
79.95751	1.5
83.01413	1.4
83.05067	0.5
85.02957	6.8
87.00903	0.9
88.04048	51.0
89.02440	3.0
89.04382	0.7
93.03482	1.0
95.95255	0.9
96.96018	12.2
96.99329	1.4
97.02969	0.7
98.95607	0.7
99.00902	0.5
99.04559	0.8
101.02449	4.2
108.02161	0.8
109.02982	0.5
111.00901	0.6
112.04047	0.9
113.02481	2.7
113.03179	0.5
114.02000	1.5
115.00384	26.0
116.00715	0.6
119.05038	1.1
120.01278	0.9
121.02981	8.7
123.04491	0.9
129.01958	0.9
132.03038	11.2
135.04541	2.1
137.09726	0.6
145.02977	1.3
147.02934	0.5
147.04558	2.6
149.04488	1.0
149.06136	1.4
150.97072	0.6
161.04552	2.4
161.05919	0.5
163.04004	0.6
177.05531	0.6
179.05652	0.8
179.10735	0.8
187.11253	0.5
190.05060	0.6
191.02000	1.4
203.05573	0.5
205.12347	0.6
206.12628	0.8
221.06860	0.7
225.05527	1.0
225.09123	0.6
225.14949	1.3
226.06525	0.5
236.09206	1.4
237.05515	1.0
238.06198	0.6
239.07034	1.3
240.04256	1.0
241.00204	1.0
241.04944	0.8
241.08682	0.8
249.05490	0.6
251.07118	1.4
253.04947	1.3
253.08734	0.9
254.05713	1.6
255.06552	3.5
256.99695	1.2
267.06598	6.6
268.07364	5.5
269.08170	26.4
270.08438	2.2
279.06653	0.6
280.07358	2.1
281.08154	3.8
282.08780	0.6
283.09717	12.5
284.10278	2.5
295.05994	1.4
295.09680	3.4
296.09439	2.4
299.12805	0.7
307.06036	0.9
310.08270	1.6
311.09143	4.5
312.08817	7.7
313.09467	5.8
322.08347	1.9
323.09006	1.1
324.08801	6.0
325.10751	6.9
326.10742	0.7
327.11105	19.2
328.11984	13.7
329.12241	1.4
337.10837	2.0
338.10440	1.7
339.11191	6.3
340.08780	1.5
340.11829	4.0
341.10031	0.8
342.09189	0.8
342.13452	19.1
342.99829	1.3
343.11737	20.2
344.12146	2.0
354.13458	7.3
355.11771	11.3
356.12216	2.1
369.19110	2.1
372.14386	1.0
373.12808	4.4
382.12903	1.8
387.20050	1.2
394.12668	0.6
399.13162	1.0
411.13181	1.7
414.15518	10.3
415.16046	1.3
426.16116	3.3
427.15784	0.6
429.21167	2.4
440.13568	0.9
458.14536	33.5
459.14856	4.6
470.14679	4.2
471.14795	0.6
488.15570	100.0
489.15747	17.4
489.22614	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83310	0.2
52.40737	0.2
57.03440	0.6
59.01379	100.0
60.01716	1.0
61.98838	1.3
69.03465	0.5
70.28613	0.4
70.29008	0.5
71.01385	5.4
72.99316	0.3
73.02953	3.1
75.00891	0.3
79.95756	0.9
80.53275	0.2
83.01399	0.7
83.05044	0.3
85.02962	2.1
87.00895	0.6
87.04546	0.3
88.04060	2.1
89.02463	1.5
95.01414	0.7
95.95259	0.4
96.96024	7.5
97.02971	0.3
98.95612	0.9
99.00854	0.3
99.04546	0.2
101.02454	4.6
107.05085	0.2
113.02457	4.9
113.03242	0.3
115.00403	0.9
119.03530	0.7
121.02976	0.6
125.02514	0.2
129.01958	0.2
131.03552	0.9
132.03073	0.6
136.05305	0.3
137.09744	1.5
138.97153	0.2
143.03525	0.6
147.03046	0.3
147.04523	0.3
149.04625	0.6
149.05992	0.2
161.04588	1.2
161.05858	0.2
163.04027	0.2
163.11316	0.5
179.10811	0.3
180.04350	0.3
180.98077	0.2
191.02110	0.2
193.12592	0.3
205.12329	3.0
223.13422	0.9
229.32478	0.2
241.00307	1.0
254.06119	0.2
254.96101	0.2
263.13007	0.2
267.06934	0.5
269.08179	1.1
281.13913	0.3
283.09924	0.4
311.09253	0.4
327.11136	0.4
328.12213	0.6
342.13620	0.6
343.12015	0.6
354.13312	0.4
355.11874	0.6
414.15994	0.4
427.19592	1.0
435.43692	0.3
452.50970	0.2
454.64984	0.2
458.14545	1.3
470.14481	0.2
478.82068	0.2
487.09418	0.5
487.18494	3.5
488.08856	0.2
488.15335	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	487.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38267	0.3
57.03465	0.4
59.01380	100.0
60.01711	1.1
71.01393	2.2
73.02953	3.2
80.53066	0.3
83.01407	1.1
85.02941	0.4
89.02441	0.4
96.85695	0.3
96.96034	1.0
101.02460	3.3
103.28687	0.3
113.02489	1.2
131.03513	0.5
143.03471	0.3
149.04567	0.4
149.06174	0.4
161.04584	0.8
165.30678	0.2
205.12328	2.4
206.12636	0.5
244.90260	0.3
275.89645	0.3
331.40646	0.3
483.53439	0.3
486.00024	0.3
487.13992	1.0
487.22098	0.4
488.12976	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13136	1.4
54.13368	3.3
55.01893	1.4
57.03442	12.4
59.01378	61.4
60.01719	2.0
61.98823	7.3
68.23691	1.2
69.03462	3.0
69.67508	9.6
69.67910	2.0
71.01392	23.4
72.20755	1.3
72.99311	1.7
73.02953	13.3
74.02481	1.3
75.00882	3.0
79.95746	3.8
80.96590	1.3
83.01381	2.9
85.02956	24.6
87.00903	2.0
87.04533	2.1
88.04047	29.2
89.02441	14.2
90.06337	1.2
95.95233	2.2
96.96021	53.8
98.95580	1.5
99.00896	2.0
99.04527	6.3
101.02451	9.1
103.00407	1.4
103.04008	2.0
111.00917	6.2
113.02460	6.1
115.00398	7.3
119.03518	1.4
120.01289	1.7
123.08190	1.7
127.77312	1.2
128.03583	4.0
129.01961	10.8
131.03551	7.1
132.03058	12.8
133.10229	1.4
134.73749	1.2
135.04532	1.8
135.11830	15.8
139.11363	1.5
145.02928	1.5
147.03032	1.4
149.04581	62.4
158.88503	1.3
159.08217	1.6
161.02444	2.1
161.04568	5.0
161.09761	6.4
179.03532	2.2
179.10800	100.0
180.11177	7.0
191.02036	3.1
205.03525	5.7
205.12335	3.5
223.09769	46.6
223.13167	2.4
224.10210	2.0
241.00232	5.3
278.21371	1.4
311.14725	1.6
343.10779	3.0
355.13965	48.3
356.14291	6.1
372.27695	2.4
373.25983	3.9
425.14801	2.5
444.29764	1.6
445.24689	1.6
486.27292	1.9
487.17075	31.2
487.22894	12.9
488.17554	5.9
488.22430	2.7
488.28677	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	487.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38768	0.5
57.03433	1.2
59.01378	97.1
59.98856	0.6
60.01718	1.7
60.42577	0.6
61.45963	0.7
61.98828	3.6
62.01804	0.6
64.85500	0.6
69.03455	5.6
70.94558	0.6
70.94897	1.5
71.01380	6.9
72.99316	0.9
73.02936	3.7
75.00886	1.6
78.95921	0.5
79.95749	1.7
83.01425	0.6
85.02957	8.5
87.00880	1.7
88.04055	2.3
89.02448	11.2
93.91424	0.5
95.01411	0.7
95.95238	1.2
96.96021	19.8
97.02953	1.5
98.95631	1.5
99.00897	1.9
99.04542	3.3
99.92625	0.7
101.02446	2.2
103.00378	2.4
111.00922	1.0
113.02496	2.8
115.00348	0.9
115.92104	1.5
116.92869	2.3
125.02482	0.9
125.88371	0.6
129.01971	1.9
131.03535	3.8
132.03067	1.1
138.97134	0.6
149.04572	37.6
150.04900	1.4
161.13348	1.6
165.12889	2.1
179.10782	1.6
185.00916	4.5
205.03477	0.8
205.12332	2.9
207.13904	100.0
208.14258	8.4
241.00261	1.6
251.10349	1.3
251.12880	22.4
251.15483	1.5
251.39812	0.8
252.13220	2.4
256.99756	0.7
267.15015	0.7
269.13846	5.5
311.14981	38.4
312.15353	4.8
339.18051	2.9
355.13889	1.4
383.17001	1.8
389.82819	0.6
401.18301	2.9
443.19278	23.2
444.19382	2.7
486.27328	0.9
486.67215	1.6
487.16675	2.4
487.22318	10.3
487.27158	1.1
488.22601	1.0
488.28394	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52840	0.9
57.03436	1.4
59.01382	22.1
69.03450	1.8
71.01380	7.3
71.11111	1.5
71.11427	1.4
73.02949	7.1
80.19216	0.9
82.86640	0.8
85.02965	2.2
87.00883	3.1
87.04557	1.3
87.63305	0.8
88.04050	1.7
89.02457	26.4
92.40098	0.9
96.96026	21.8
98.95577	0.9
101.02464	1.8
103.04060	1.8
105.25468	0.7
111.04541	1.0
113.02462	1.4
113.55462	0.9
115.10427	0.8
131.03506	9.2
132.03032	1.1
135.11833	15.8
148.56000	0.8
149.04572	100.0
150.04935	2.2
159.82536	0.8
161.09737	3.7
179.10794	86.4
180.11154	7.1
198.99171	0.9
223.09755	24.1
223.11821	1.6
224.10138	1.1
241.00175	1.2
337.13303	1.3
355.14008	39.4
356.14224	6.2
487.17410	58.5
488.17868	9.6
488.28738	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	486.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32997	0.5
57.03470	0.5
58.00584	1.8
58.02601	0.4
59.01378	35.9
65.82374	0.4
68.59473	0.4
69.03460	0.7
70.47877	1.1
71.01382	26.5
72.00925	1.1
72.01721	0.5
72.99313	1.2
73.02949	0.7
82.02996	0.6
83.01403	1.1
85.02959	3.7
87.00893	1.9
89.02451	37.9
90.02740	0.6
95.01405	1.1
95.34254	0.4
98.06133	0.9
98.20670	0.5
101.02455	15.1
110.77711	0.5
113.02457	11.1
119.02672	0.6
119.03515	12.7
119.04329	0.8
121.99187	0.5
125.02450	2.5
126.05627	0.6
127.05141	0.6
131.03476	2.3
142.05115	5.6
143.03520	3.5
144.03047	2.2
144.06679	86.3
145.06137	1.4
145.07031	2.1
149.04597	1.0
161.04565	4.2
179.05618	17.3
180.05902	0.5
311.82159	0.6
332.66666	0.6
341.10892	100.0
342.11212	7.1
404.24545	0.5
486.18280	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.7
59.01379	12.1
60.01709	0.3
61.98832	100.0
65.45605	0.2
69.03439	0.5
71.01389	3.6
71.73259	0.3
72.99310	0.4
73.02960	1.3
75.00884	1.3
79.95758	0.7
83.01395	0.4
83.05039	0.3
83.75192	0.2
85.02961	3.3
86.95515	0.2
87.00890	0.9
88.04057	0.5
89.02455	0.7
93.03474	0.5
95.01388	0.5
96.96025	15.6
98.95602	0.9
99.00900	1.1
101.01859	0.2
101.02472	1.1
113.02473	2.3
115.00397	0.4
117.01953	0.3
119.05048	0.3
129.01973	0.5
130.08768	0.6
131.03621	0.2
137.02458	0.9
138.97092	0.6
149.04651	0.3
154.23509	0.2
161.04605	0.3
161.09752	1.0
179.10864	0.9
191.02086	0.4
205.12421	0.5
206.12587	0.3
223.13362	0.4
241.00224	1.4
242.00554	0.5
249.06093	1.2
267.07126	0.8
292.18515	0.3
301.02917	0.3
355.13840	0.4
366.05945	0.5
426.22687	0.4
448.10037	0.4
486.08130	2.8
486.17853	1.1
486.26929	0.3
486.67853	0.5
487.08032	0.6
487.22427	8.6
487.33167	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39614	0.6
54.12189	0.6
56.90818	0.5
58.64935	0.6
59.01380	5.0
61.98814	0.9
68.21547	0.6
68.56506	0.6
71.01376	3.9
71.71162	0.7
72.99337	0.9
73.02953	45.3
78.95934	1.7
83.01374	0.7
84.04781	0.6
85.02960	5.1
89.02473	2.5
93.82317	0.6
94.65244	0.6
96.96020	7.4
98.95618	1.9
99.00889	5.7
99.04531	0.6
99.92621	1.1
101.02454	2.8
102.05609	0.8
113.02463	1.3
115.92026	0.6
116.92873	15.5
117.01957	100.0
117.05564	1.2
117.66876	0.6
117.92879	1.0
118.02274	2.2
118.05106	1.1
120.01293	0.8
128.07172	1.1
134.04756	1.6
135.31470	0.6
144.06651	2.8
146.04610	1.4
149.04552	1.3
161.04520	1.1
163.04034	0.9
172.02039	0.7
179.05711	0.7
180.53575	0.6
191.01938	1.7
209.03015	2.6
220.45398	0.7
221.08327	0.8
223.56029	0.6
237.09706	4.6
301.82388	0.6
315.76385	0.7
341.10971	1.4
342.11203	2.0
343.11499	1.1
365.45740	0.6
369.14200	3.2
389.66428	0.7
487.10968	1.1
487.17804	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	485.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12095	0.2
56.04483	0.2
57.03444	0.2
59.01381	1.3
65.43279	0.2
68.92113	0.2
69.85059	1.6
71.01388	0.7
72.99298	0.3
79.95739	2.3
80.96531	0.8
85.02969	0.6
89.02447	0.5
95.95248	0.8
96.96024	59.1
98.19778	0.2
98.95605	0.4
101.02448	1.0
113.02448	0.3
116.36940	0.2
122.97598	0.6
138.97087	1.0
150.97081	0.7
152.98630	0.8
180.98128	1.9
188.12032	0.2
198.99124	0.4
201.22968	0.2
241.00252	5.4
242.00647	0.3
256.99750	0.5
259.01410	0.4
290.47278	0.2
427.12857	0.8
467.15759	0.4
485.16974	100.0
486.17297	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32014	0.2
52.37067	0.2
59.01377	1.1
70.28683	0.2
71.01384	0.8
71.48756	0.2
72.99323	0.2
79.95738	1.6
80.96524	1.0
83.01351	0.2
84.57629	0.2
85.02951	0.5
87.00880	0.2
89.02448	0.4
95.95251	0.8
96.96022	46.3
97.95986	0.2
98.95609	0.6
99.92599	0.9
101.02448	1.2
113.02430	0.4
115.92104	0.9
116.92835	0.3
122.97571	0.5
134.03752	0.2
138.97063	1.8
142.97504	0.2
150.97090	0.9
152.01208	0.4
164.98625	0.3
167.03526	0.6
168.98204	0.3
170.91823	0.2
180.98117	0.8
184.62775	0.2
198.99193	0.9
241.00243	2.9
241.46886	0.2
256.99841	0.4
259.01294	0.5
276.98132	1.0
290.96103	0.3
364.30377	0.2
364.81653	0.3
377.90662	0.2
397.11948	0.5
404.99792	0.3
405.04968	0.5
455.15875	0.5
467.15656	1.0
485.16980	100.0
486.17303	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	485.1695
Annotation	Haplodimerine
Peak:m/z	Relative Intensity
53.84264	0.2
54.75200	0.2
55.01876	0.2
57.03445	0.4
59.01374	2.4
61.98817	0.6
69.48950	1.9
71.01368	1.1
72.99331	0.3
73.02957	0.4
75.00862	0.2
75.48464	0.2
75.57577	0.2
79.95744	3.2
80.96523	1.3
83.01386	0.3
85.02956	2.1
89.02460	0.5
95.95255	1.5
96.96018	57.1
98.19841	0.3
98.95604	1.5
98.96420	0.3
99.00871	0.3
101.02460	1.3
103.00407	0.2
113.02448	0.5
117.05620	0.2
119.58483	0.2
120.01244	0.4
122.97578	0.6
124.00158	0.2
129.01962	0.3
135.04515	0.6
138.97069	1.7
147.03024	0.2
150.97075	1.1
152.98642	0.5
160.04031	1.1
161.07303	0.2
164.98669	0.3
167.03476	0.3
175.08784	0.2
176.98643	0.2
177.04088	0.3
180.98111	1.0
189.06798	0.3
191.01901	0.2
198.99213	0.8
222.99207	0.3
225.00734	0.3
241.00240	4.1
243.00076	0.2
256.99704	1.0
316.66486	0.2
405.04922	0.3
411.13251	2.7
412.13937	0.3
427.76285	0.2
437.16333	0.3
451.16055	1.0
453.14313	0.6
455.15863	0.6
467.15906	0.3
468.16479	0.3
485.16937	100.0
486.17258	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	485.1697
Annotation	Haplodimerine
Peak:m/z	Relative Intensity
59.01385	1.4
66.90559	0.2
70.30356	0.2
70.47803	0.7
71.01382	1.2
72.99309	0.5
73.02953	0.2
79.95744	1.9
80.96518	1.0
85.02925	0.3
87.00936	0.2
89.02476	0.4
95.95219	0.9
96.96020	52.4
98.20547	0.2
99.34994	0.2
99.92580	0.2
101.02452	0.5
113.02487	0.2
115.92069	0.2
122.97595	0.7
138.97081	3.0
150.97093	1.0
155.69594	0.2
164.98610	0.3
168.98085	0.3
180.98117	0.7
198.99173	2.0
222.99350	0.2
225.00775	0.2
241.00256	3.0
259.01166	0.9
276.98108	0.2
285.02917	0.3
405.04861	0.4
415.29431	0.2
475.82098	0.2
485.16953	100.0
486.17273	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	485.1695
Annotation	Haplodimerine
Peak:m/z	Relative Intensity
57.03451	0.3
59.01373	0.9
63.58191	0.2
64.72655	0.2
71.01381	0.8
72.99312	0.3
73.02946	0.3
79.95744	2.8
80.96525	1.2
82.08986	0.2
83.01385	0.3
84.54498	0.2
85.02979	0.4
86.29173	0.2
89.02454	0.5
90.69501	0.2
95.95237	0.8
96.96021	68.6
97.95908	0.3
98.95605	0.5
99.92599	0.6
101.02452	1.1
105.01883	0.2
113.02456	0.4
115.92081	0.7
122.97602	0.5
138.97067	1.0
150.97098	0.8
152.98674	1.3
165.66046	0.2
180.98163	1.9
198.99219	0.6
219.70107	0.3
241.00224	6.2
242.00526	0.3
255.67467	0.2
256.99765	0.4
259.01175	0.5
276.97983	0.4
290.96130	0.3
317.11124	0.2
405.00214	0.2
405.04788	1.0
485.16946	100.0
486.17297	13.5
486.23117	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34962	0.8
59.01377	100.0
61.98837	4.6
69.03452	0.9
69.38980	8.9
71.01376	4.9
73.02946	3.6
79.95755	1.8
80.96492	1.0
85.02962	3.5
87.00896	1.3
88.04050	1.0
89.02454	9.7
93.07100	0.8
95.95215	0.9
96.96018	37.9
98.20728	1.4
98.95600	1.5
101.02480	2.1
103.00379	1.4
107.23020	0.8
113.02480	1.5
115.00383	0.8
131.03558	3.6
135.00845	0.9
135.26613	0.9
138.97104	1.7
149.04581	41.8
150.06842	0.8
150.97081	0.8
161.13361	7.9
187.11368	0.9
205.12341	57.4
206.12729	3.5
207.14001	0.9
223.13483	2.7
226.91705	0.9
241.00247	11.9
242.99565	0.7
243.06825	1.1
249.11308	7.4
265.14478	1.2
267.12415	1.4
283.01291	1.4
300.02844	1.2
301.03589	1.0
309.13406	11.5
337.16586	2.1
377.01840	7.2
378.02274	1.1
381.15717	1.3
399.16901	2.7
441.17667	13.7
441.23236	1.1
442.18134	1.1
447.09476	1.3
485.07562	15.4
485.20978	3.3
486.07974	1.5
486.20911	0.9
486.27448	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	485.17
Annotation	Haplodimerine
Peak:m/z	Relative Intensity
57.03423	0.3
59.01376	1.2
69.00475	0.2
71.01382	0.9
71.03118	0.5
71.03460	0.3
73.02969	0.4
79.95740	1.6
80.96525	0.9
83.01405	0.3
85.02965	1.2
86.99216	0.2
87.00928	0.2
89.02455	0.5
94.51546	0.2
95.95252	0.6
96.96023	49.1
97.95959	0.4
98.95615	1.4
98.96169	0.2
101.02459	1.1
113.02490	0.3
122.97599	0.3
138.97079	1.1
150.97058	0.9
152.98659	0.6
180.98145	1.7
208.50262	0.2
232.53069	0.2
241.00255	4.4
256.99707	0.4
379.37482	0.2
394.15369	0.2
397.11911	0.3
399.09659	0.3
408.86325	0.2
420.75610	0.3
455.15964	0.3
467.15894	0.5
476.92239	0.2
485.16959	100.0
486.17270	13.0
497.59189	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.0763
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.7
57.28748	0.4
59.01379	7.7
61.98823	1.7
63.84169	0.5
67.79467	0.5
70.40815	0.4
70.98042	0.4
71.01382	5.0
71.05013	0.6
71.74006	0.6
72.53522	0.5
72.99283	0.7
73.02942	1.4
75.00882	0.4
78.95921	0.6
79.95747	3.4
80.96523	1.9
83.01395	1.7
83.05070	0.5
85.02951	3.3
86.97631	0.4
87.00893	0.9
88.04046	0.5
88.36032	0.4
89.02477	0.8
91.01897	2.7
94.10658	0.5
95.01370	0.7
96.96021	100.0
97.02966	0.6
97.06570	0.5
98.95615	0.7
99.00909	1.0
101.02449	4.1
108.02184	3.4
109.02981	1.1
112.87272	0.4
113.02450	2.4
118.75209	0.4
122.06113	0.9
122.97588	1.0
123.00894	1.1
135.00894	3.2
137.02498	0.4
138.97073	1.4
143.03569	0.5
143.37802	0.5
149.04550	0.6
150.97060	0.8
152.01193	3.7
152.98662	6.2
153.01942	1.7
161.04599	0.5
174.30920	0.4
179.10597	0.4
180.98088	1.7
205.12372	0.5
213.18665	0.5
221.08330	0.5
227.12935	0.5
239.11859	0.8
241.00227	54.0
242.00510	1.8
243.06598	13.2
243.19615	0.6
244.06924	1.6
271.02271	1.1
293.24945	0.5
300.02750	1.3
301.03418	1.3
305.24799	0.8
341.26840	1.1
344.17572	0.9
375.87262	0.5
377.01862	2.4
405.25049	1.3
447.09256	1.4
449.28888	0.5
467.30441	0.8
484.22406	0.8
485.07471	41.6
485.20557	3.7
485.25916	0.8
485.31302	5.2
486.07724	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	485.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01706	0.7
61.98826	1.6
63.77216	0.7
69.61605	3.9
69.62026	1.9
71.01389	4.9
73.02956	2.2
78.78876	0.7
87.00901	1.8
88.04063	1.6
89.02446	9.9
89.02937	1.0
93.51140	0.8
96.96022	11.7
96.96603	1.1
101.02444	1.6
103.00401	0.7
103.04060	0.9
105.07096	1.3
111.72176	0.8
113.02509	1.1
120.77908	0.6
129.02065	0.8
131.03557	2.5
132.03062	0.7
140.36913	0.7
149.04575	43.5
150.04970	0.9
150.06921	1.6
161.13371	11.9
161.14595	0.9
162.13744	1.0
179.10759	0.8
205.12355	59.3
206.12665	4.9
223.13406	3.4
241.00195	1.3
249.11328	8.5
264.41699	0.7
265.14551	2.0
267.12445	1.3
301.03793	0.9
309.13446	11.2
310.13797	1.9
337.16760	1.4
399.16605	1.2
441.17731	8.1
442.17728	1.8
447.09598	1.9
450.79999	0.9
485.09372	1.2
485.17059	3.3
485.22006	3.5
486.17563	0.9
486.27399	2.0
494.95938	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.0761
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.3
58.58952	0.2
59.01380	5.1
61.98824	0.8
69.03470	0.3
71.01386	2.3
71.42145	0.5
72.99291	0.5
73.02946	0.8
75.00890	0.2
79.95740	3.2
80.96523	2.6
83.01411	0.4
85.02966	1.3
87.00880	1.1
88.04056	0.4
89.02454	0.4
91.01898	1.5
95.01373	0.2
95.95254	0.6
96.96021	100.0
97.95943	0.3
98.95621	0.3
99.00904	0.5
101.02440	1.2
105.72943	0.2
108.02180	1.7
109.02962	0.9
113.02453	1.2
122.97620	0.5
123.00916	0.5
125.02470	0.3
132.03046	0.2
135.00894	2.1
137.02457	0.4
138.97089	9.3
143.03561	0.4
149.02489	0.3
149.04590	0.3
150.97069	0.7
152.01160	1.7
153.01944	2.1
164.98653	0.8
168.98154	1.0
177.01930	0.5
177.03339	0.3
178.74809	0.2
180.98178	0.8
187.00739	1.0
197.06136	0.3
205.12227	0.2
222.99168	1.8
241.00230	36.1
242.00496	1.4
242.05759	0.2
243.06607	10.3
244.06998	0.8
246.25763	0.2
297.06046	0.4
300.02783	0.5
301.03482	0.2
377.01846	3.1
378.02127	0.2
394.97577	0.2
395.02881	4.6
396.03058	0.5
405.11914	1.6
447.09006	0.3
449.09894	0.3
484.24533	0.3
485.07565	49.7
486.07883	7.1
491.71579	0.3
501.77524	0.2
503.48965	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.0759
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.0
61.78286	0.3
63.17897	0.3
69.61475	3.0
71.01390	2.5
71.43336	0.3
72.99296	0.4
73.02947	0.9
79.09708	0.4
79.95747	2.7
80.96511	2.5
85.02975	1.3
87.00885	1.5
90.99140	0.3
91.01904	5.3
95.95213	0.4
96.96021	100.0
97.95969	0.5
101.02459	1.5
109.02964	2.5
113.02452	0.6
121.02933	0.4
122.97590	0.9
133.03020	0.4
135.00902	19.3
136.01234	1.0
137.02455	3.0
138.97099	13.1
143.03496	1.0
149.02481	0.8
150.97083	1.3
153.00731	0.4
153.01971	8.0
164.98650	1.3
168.98109	1.0
175.04066	0.5
177.01955	1.9
180.98097	0.5
187.00697	1.5
191.65721	0.4
193.00981	0.3
198.99205	1.3
207.03009	3.4
208.03317	0.5
214.96449	0.5
222.99234	2.3
241.00232	63.0
242.00575	2.0
297.06137	4.6
301.03421	0.6
377.01828	43.7
378.02200	3.2
395.02832	1.1
485.07562	39.6
485.18796	1.0
486.07913	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	483.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
64.88360	0.2
69.46851	2.2
69.47260	0.3
71.54853	0.2
74.68380	0.2
77.01197	0.2
78.95908	6.2
82.37490	0.2
91.66612	0.2
96.96940	0.5
98.20674	0.5
99.87870	0.2
103.98924	0.2
117.00175	0.3
149.59509	0.2
152.99606	13.2
171.00647	1.0
183.13936	0.2
185.93726	0.3
215.53943	0.2
227.03255	3.2
236.87138	0.2
245.04300	1.5
255.23280	100.0
256.23602	8.7
318.02600	0.3
330.09680	0.2
346.72931	0.3
483.27267	37.2
484.27609	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	485.0761
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60678	0.2
55.01882	0.4
57.03438	0.2
59.01381	3.6
61.98821	0.8
63.40515	0.2
64.01484	0.2
69.03452	0.6
69.86208	1.4
71.01389	2.6
72.99309	0.4
73.02947	1.2
75.00870	0.3
78.95924	0.4
79.95750	3.2
80.96527	1.8
83.01401	0.8
83.05038	0.2
85.02959	1.6
87.00880	0.8
88.39051	0.2
89.02454	0.6
94.98109	0.4
95.01418	0.4
95.95259	0.6
96.96021	100.0
97.02956	0.7
97.95943	0.5
99.00903	0.4
99.82325	0.3
101.02451	2.2
107.01398	0.4
108.02206	0.5
109.02973	0.5
113.02478	2.0
122.97611	1.0
125.02456	0.8
135.00954	1.0
138.97047	1.3
143.03540	0.4
150.97057	0.8
152.01157	0.6
152.98648	6.1
152.99893	0.3
153.01939	1.5
155.99461	0.2
161.04582	0.4
166.96616	0.3
180.98151	2.3
220.24844	0.2
230.94772	0.2
241.00229	52.5
242.00520	1.9
300.02878	0.6
301.03394	0.5
328.65692	0.3
377.01837	22.9
378.02148	2.1
447.09274	0.5
449.29633	0.2
455.24426	0.2
485.07568	63.9
485.30795	1.2
486.07877	9.1
486.15109	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.076
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	4.0
60.18473	0.2
61.98811	0.8
68.38450	0.2
69.03439	0.6
71.01394	1.8
71.50127	0.4
72.99313	0.3
73.02955	0.8
79.95740	3.9
80.96519	2.0
83.01361	0.3
85.02983	1.2
86.82558	0.2
87.00887	0.9
88.04026	0.4
89.02439	0.4
95.95240	1.8
96.96021	100.0
97.02915	0.4
97.95954	0.4
98.20172	0.3
99.00900	0.3
101.02462	1.2
108.02177	0.5
113.02440	0.7
121.02967	0.3
122.97598	0.8
125.02480	0.6
131.03525	0.3
132.03075	0.2
135.00871	0.6
135.04482	0.3
138.97084	6.7
143.03539	0.5
149.02399	0.3
149.04559	0.7
150.97096	1.4
152.01158	1.0
153.01952	0.6
163.04062	0.3
164.98645	0.7
168.98158	0.7
180.98160	1.1
187.00735	0.3
191.01949	0.2
205.12378	0.4
213.00690	0.4
222.99208	1.5
225.00763	0.6
241.00233	33.2
242.00491	1.3
287.13965	0.3
300.02551	0.2
377.01831	31.8
378.02191	2.9
395.02933	0.9
405.12079	0.3
435.06552	0.3
441.08618	0.3
447.09119	0.3
484.19073	0.3
485.07568	71.1
486.07880	9.9
486.15121	0.4
486.26834	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.076
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03471	0.2
59.01377	3.9
61.98828	0.4
63.89447	0.2
69.03455	0.4
70.92493	0.4
71.01392	1.8
72.99300	0.3
73.02940	0.6
75.00866	0.2
79.95747	3.4
80.96519	2.1
83.01384	0.2
85.02948	1.0
87.00890	0.7
88.04027	0.2
89.02464	0.3
95.95261	1.4
96.96021	100.0
97.02967	0.3
97.95967	0.5
99.00892	0.4
101.02452	1.2
108.02194	0.6
109.02986	0.3
113.02449	0.6
113.87051	0.2
121.02997	0.4
122.97593	0.7
125.02435	0.6
135.00912	0.6
138.97089	6.8
143.03514	0.6
149.04572	0.7
150.97108	1.5
152.01192	1.0
152.98712	0.3
153.01920	0.7
163.03958	0.3
164.98666	0.9
165.01999	0.2
167.03520	0.2
168.98109	0.6
180.98108	0.9
187.00691	0.3
205.12386	0.9
213.00781	0.2
221.06274	0.2
222.99236	1.6
225.00778	0.6
241.00229	33.6
242.00627	1.3
287.14145	0.3
294.40955	0.2
300.02966	0.2
353.23291	0.2
377.01837	29.6
378.02167	2.6
395.02795	0.7
395.59491	0.2
441.17560	0.2
447.09372	0.3
449.19247	0.2
485.07565	69.3
486.07877	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	483.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18756	0.2
50.22502	0.3
50.24681	0.2
56.40861	0.3
62.96419	0.3
70.92267	0.7
70.92619	0.4
78.95907	17.2
80.02583	0.2
84.60003	0.3
85.60616	0.2
96.96968	1.5
111.26669	0.2
152.99603	30.1
153.99936	0.5
171.00647	1.2
184.62476	0.2
227.03249	4.1
245.04291	0.7
255.23283	100.0
256.23593	10.2
391.22437	0.8
408.95755	0.3
483.27264	63.5
484.27597	10.4
484.34735	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.4
55.36094	0.5
55.56031	0.5
57.03448	4.5
58.00584	1.3
59.01376	41.0
61.98833	6.7
65.99879	0.7
69.03484	1.0
71.01383	40.0
71.42159	1.4
72.01730	0.7
72.69169	0.6
72.99306	2.8
73.02948	15.9
75.00879	1.1
79.95727	3.3
80.96519	1.6
82.02988	1.6
83.01392	9.6
83.05016	0.7
85.02957	23.4
86.00105	0.9
87.00861	3.1
88.04050	1.5
89.02447	6.6
91.77769	0.6
95.01379	3.3
95.95250	1.2
96.96018	70.0
97.02946	2.4
97.95932	0.6
98.95589	4.9
98.96490	0.7
99.00889	8.0
101.02454	43.5
102.02782	1.0
111.00885	1.7
113.01702	1.1
113.02462	18.8
114.02792	0.8
121.02945	0.9
122.97601	0.9
125.02445	2.0
129.01967	2.1
129.64224	0.6
131.03500	1.1
137.09735	0.8
138.97072	2.6
140.96686	0.7
143.03511	1.9
150.97087	1.2
151.00339	1.8
159.03017	3.1
161.04570	11.4
191.01959	0.7
194.04547	0.8
222.99365	0.7
241.00224	7.8
243.03038	0.7
255.02966	1.7
269.08899	0.5
271.02454	2.5
284.11417	2.2
285.11871	1.7
291.18115	100.0
292.18478	9.1
300.02713	5.9
301.03503	4.2
312.46112	0.6
315.13406	0.8
328.10394	1.6
329.10916	1.5
335.17224	0.9
351.21811	1.7
359.12900	0.6
423.22345	68.8
424.22672	9.4
447.09250	7.0
448.09558	1.0
451.17075	5.2
452.17593	0.9
483.09610	18.2
483.20319	25.1
484.09933	4.2
484.19067	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	483.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
61.70973	0.2
69.01794	0.2
71.04260	0.4
71.04613	0.2
72.19485	0.2
78.95907	7.7
78.96368	0.4
94.74095	0.2
95.42314	0.2
96.96987	0.6
98.20034	0.2
105.05539	0.2
123.62391	0.2
124.84500	0.2
127.52284	0.2
150.04427	0.2
151.96359	0.2
152.99600	15.0
171.00679	1.2
227.03256	3.4
237.22342	0.3
242.37553	0.2
245.04311	1.1
255.23279	100.0
256.23621	10.9
263.99191	0.2
439.53360	0.2
447.09738	0.3
483.27258	35.8
484.27603	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	483.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.3
57.03452	4.5
57.91719	0.7
58.00576	1.2
59.01379	44.9
61.98832	11.2
65.99838	0.9
68.99790	0.7
69.03447	1.3
69.97350	4.2
71.01386	43.4
72.06100	0.7
72.99300	3.0
73.02946	18.2
75.00867	1.7
79.95752	4.9
80.96519	2.4
82.02990	2.2
83.01402	10.6
83.05062	1.0
85.02959	24.5
86.00124	0.9
87.00905	3.4
88.04028	1.8
89.02457	7.3
94.97284	0.6
95.01386	2.6
95.95239	1.1
96.96021	85.1
97.02960	1.3
98.95602	6.3
98.96427	0.8
99.00892	8.8
99.04568	0.8
101.02451	43.7
102.02814	1.4
111.00906	2.3
113.02468	19.5
115.00331	0.8
119.03541	1.3
119.22240	0.7
121.02977	1.3
122.06075	1.0
122.97622	1.1
123.00887	0.7
125.02439	2.2
127.00356	1.0
129.01917	1.7
131.03531	1.8
132.03065	1.3
137.09698	1.1
138.97076	3.6
143.03510	1.8
149.04514	0.8
150.97101	1.6
151.00362	1.0
159.02992	4.5
161.04572	11.9
167.03505	1.3
189.00311	0.8
198.99237	1.1
231.95576	1.0
241.00179	10.2
255.02963	2.1
269.08902	0.8
271.02469	3.8
283.10983	1.8
284.11304	2.7
285.11911	1.4
291.18127	100.0
292.18478	7.8
300.02771	7.4
301.03406	4.8
315.13742	0.8
316.13690	1.1
324.63251	0.8
328.10614	2.0
329.10864	2.7
335.17303	1.1
351.21805	1.7
360.12903	2.0
403.23123	1.0
423.22342	73.2
424.22763	8.9
447.09308	9.0
448.09760	1.4
451.17068	6.4
483.09641	25.2
483.20151	29.0
484.09946	5.5
484.19159	1.4
484.25656	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	483.116
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01537	1.2
57.03432	2.3
59.01372	8.5
60.69093	1.1
61.46292	1.6
68.99818	2.0
71.01386	9.2
71.71118	1.7
72.99287	4.2
73.02931	1.7
75.00881	11.5
75.02549	1.6
75.76398	1.2
83.01378	4.4
84.99326	1.3
85.00996	1.6
85.02518	1.2
85.02962	15.3
87.00865	2.4
89.02427	3.5
96.96020	40.4
96.96944	2.8
99.00898	6.9
100.64706	1.1
101.02403	4.5
103.00359	6.1
106.81326	1.3
111.00865	3.4
112.98831	25.6
113.99173	1.8
115.00372	2.5
115.02053	2.8
117.01957	1.6
118.96684	1.7
128.03523	1.6
128.07199	10.8
129.01915	3.7
133.06554	2.1
134.03720	2.0
134.04666	1.5
142.99780	1.4
143.01486	1.5
145.01439	34.9
146.01775	1.4
149.04527	3.8
157.01350	2.0
157.03127	1.4
171.01044	4.4
182.99817	1.7
191.01988	8.0
203.03601	1.8
209.02960	2.9
221.04494	1.5
223.04497	1.5
223.08028	1.9
226.98822	1.5
231.03105	2.0
241.00034	1.6
258.01892	1.8
263.05792	9.4
335.04071	3.2
335.07748	2.1
355.12363	3.0
359.04172	1.5
385.07867	1.9
391.07010	6.2
439.11044	1.6
451.08984	10.5
483.11349	100.0
484.11926	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01719	1.2
61.98842	1.3
63.55885	0.3
71.01391	3.1
71.14754	0.3
71.62407	0.5
72.99336	0.5
73.02958	0.4
79.95770	0.4
83.01408	0.3
85.02969	0.8
89.02439	0.3
93.71806	0.3
95.95277	0.4
96.96027	7.1
101.02473	0.8
113.02501	0.7
121.02991	0.9
136.51212	0.3
151.00372	0.4
162.26584	0.3
178.99821	0.4
241.00294	0.4
255.03194	0.6
271.02563	1.1
291.08960	0.7
300.02759	2.5
301.03497	1.6
305.61011	0.4
309.20700	0.3
381.12097	0.6
439.15790	0.3
447.09238	4.2
447.14166	0.3
448.09604	0.4
476.33215	0.3
478.41122	0.3
483.07764	0.7
483.23056	4.5
483.29736	0.4
483.81335	0.3
484.23413	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.154
Annotation	Nap-HoPhe-OH
Peak:m/z	Relative Intensity
56.59095	0.2
57.03476	0.2
58.42331	0.2
59.01391	1.1
71.01384	1.3
71.27420	0.5
72.99317	0.5
73.02941	0.3
75.72482	0.2
77.71539	0.2
79.95741	3.1
80.96526	1.3
83.01392	0.7
85.02942	1.2
89.02468	0.4
91.25311	0.2
93.03481	0.4
95.91202	0.2
95.95260	2.3
96.96023	62.4
98.95621	0.5
99.00877	0.5
100.92844	0.2
101.02463	0.6
113.02460	0.3
119.05083	0.3
122.97602	1.0
129.01991	0.3
133.06604	2.2
138.97102	1.6
143.03596	0.3
145.03032	0.3
147.04539	0.4
149.06145	0.3
150.97046	1.5
153.09177	0.4
164.98714	0.3
177.04102	0.4
177.05585	1.2
177.55128	0.2
180.98145	1.0
187.07756	0.3
198.99203	0.8
213.00644	0.2
215.07173	0.4
217.05040	0.3
221.04552	2.1
227.10283	0.2
241.00229	5.5
242.00668	0.3
243.00020	0.2
249.02692	0.2
256.99826	0.5
259.01245	0.6
261.04071	1.1
275.05829	0.3
303.05069	0.6
318.18436	0.2
321.06171	0.3
321.09839	0.3
329.05643	0.4
342.76904	0.2
383.09833	1.0
397.06808	0.3
437.72821	0.2
439.07635	0.3
453.14487	0.5
483.15430	100.0
484.15747	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	481.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.7
57.03447	10.7
57.96364	0.8
58.00592	4.9
59.01377	94.1
60.01725	1.3
61.98824	4.6
69.03455	10.8
69.49338	9.2
71.01384	87.7
71.05033	1.6
72.01727	2.4
72.99303	8.5
73.02951	16.7
73.80910	0.9
75.00903	1.2
79.95750	1.2
83.01393	13.2
85.02440	2.2
85.02957	44.1
86.00094	1.2
87.00884	4.9
89.02451	58.2
93.07071	0.9
95.01397	5.3
96.96027	12.6
97.02995	2.2
99.00905	10.4
101.02454	83.7
102.02809	2.0
109.06593	1.6
111.08170	1.3
113.02461	40.3
113.06113	1.9
119.03516	25.0
121.10255	8.6
123.08179	1.6
125.02490	2.8
127.07710	3.1
131.03564	4.6
137.06131	2.0
139.11308	19.5
143.03529	6.7
149.04626	2.8
155.07162	2.1
159.03029	2.8
161.04549	13.1
161.05722	1.3
165.09222	6.9
167.10823	1.3
179.05675	10.9
183.10272	64.8
184.10645	3.6
197.11832	3.0
225.11266	4.7
297.13416	39.7
298.13873	3.4
315.14429	7.5
319.21240	34.8
320.21713	3.8
434.57135	1.2
481.14923	3.3
481.26392	100.0
482.15860	1.6
482.26807	16.3
509.93536	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78622	2.2
55.01878	5.5
56.98387	1.7
57.03462	10.6
58.00596	3.5
59.01377	89.6
61.98834	12.5
69.03463	11.6
71.01385	86.2
71.05028	2.8
71.72973	3.5
72.99298	9.6
73.02944	17.5
75.00881	2.0
78.95911	2.2
83.01385	14.1
85.02956	37.6
87.00909	6.4
89.02455	54.8
95.01381	3.9
96.96020	22.5
99.00924	8.2
101.02455	73.1
107.01521	1.8
111.08192	2.1
113.02463	37.1
119.03508	22.9
119.04179	1.7
121.10228	7.8
123.08233	1.8
125.06121	1.8
127.07704	1.7
131.03546	3.1
137.06093	2.3
139.11316	24.2
143.03522	8.6
145.90019	1.6
149.85602	1.6
152.99602	2.9
161.04570	9.2
165.09183	9.0
179.05606	10.1
183.08647	3.5
183.10265	68.3
184.10643	3.1
197.11774	3.6
225.11470	4.8
235.19057	1.9
246.95746	1.8
294.27536	1.6
297.13422	54.7
298.13882	5.2
315.14484	9.8
319.21222	31.1
320.21680	3.0
481.15131	5.4
481.26419	100.0
482.16049	2.4
482.26767	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	481.257
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24058	0.6
53.94873	0.6
71.19495	1.8
78.95907	40.0
79.26633	0.7
81.93705	0.6
96.96968	3.5
143.84784	0.7
151.79839	0.7
152.99606	60.1
165.67039	0.7
171.00658	17.6
227.03300	3.4
230.43344	0.7
245.04305	100.0
246.04683	4.0
246.07005	0.7
253.21715	63.1
254.21977	7.1
263.69644	0.6
330.92178	0.8
481.25696	49.6
482.25888	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	481.2115
Annotation	Paraensidimerin C
Peak:m/z	Relative Intensity
59.01382	1.5
61.98824	0.6
71.01385	0.8
71.24780	0.3
71.25111	0.2
72.69147	0.1
79.95732	1.5
80.96506	1.0
85.02955	0.5
89.02455	0.4
95.95223	0.3
96.96021	42.3
97.95966	0.2
98.95631	0.3
101.02444	0.6
108.02077	0.2
113.02491	0.2
122.97594	0.3
125.10217	0.2
138.97089	9.9
139.97310	0.2
150.97102	0.3
164.44333	0.2
168.98112	0.9
180.98138	0.2
198.99208	7.2
241.00241	1.6
259.01309	3.2
260.01517	0.2
481.21115	100.0
482.21457	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2114
Annotation	Paraensidimerin C
Peak:m/z	Relative Intensity
57.03442	0.3
57.78390	0.2
59.01375	1.5
59.04005	0.2
61.98835	1.0
71.01389	1.9
71.50005	0.4
73.02953	0.5
79.95747	1.2
80.96531	0.7
85.02953	1.3
89.02453	0.5
95.95257	0.5
96.96023	38.1
97.95972	0.3
98.05734	0.2
98.20338	0.3
98.95607	0.9
101.02454	0.9
111.37177	0.2
113.02460	1.1
115.67292	0.2
122.97594	0.5
123.11093	0.2
138.97093	4.4
140.96709	0.2
150.97090	0.4
168.98160	0.4
177.03978	0.3
180.98129	0.3
198.99193	3.5
241.00194	2.4
259.01294	1.1
304.61850	0.2
385.50168	0.2
401.21683	0.4
450.17166	0.2
463.20837	0.2
481.21167	100.0
482.21484	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	481.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91467	0.2
57.03449	1.1
58.03783	0.2
59.01376	3.1
61.98531	0.2
61.98830	2.9
65.54047	0.2
69.03449	0.2
69.84516	1.0
69.84929	0.3
71.01389	1.9
72.37753	0.2
72.99302	0.4
73.02940	0.7
75.00888	0.3
79.95742	1.6
80.96510	1.0
83.01396	0.5
84.53817	0.2
85.02951	4.8
86.03300	1.0
87.00886	0.4
87.03381	0.3
88.04036	0.2
89.02445	0.5
90.38046	0.2
92.62245	0.2
95.95249	0.7
96.96018	47.4
97.95922	0.2
98.95597	0.9
98.96384	0.2
101.02451	1.4
106.28857	0.2
113.02466	0.8
122.97598	0.3
129.01974	0.5
130.31662	0.2
138.97084	5.5
145.03070	0.2
147.02994	0.5
150.97067	0.5
151.00507	0.2
168.98117	0.5
180.98195	0.5
191.02005	1.4
192.02324	0.5
193.02451	0.9
198.99191	3.1
241.00232	2.5
242.00438	0.2
259.01132	1.0
301.03638	0.2
302.12128	0.4
304.64212	0.2
319.19458	0.2
349.14139	0.3
405.16614	0.2
437.19150	0.3
447.09497	0.4
456.56332	0.2
481.21140	100.0
482.21503	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	481.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60767	0.2
53.90211	0.2
56.36813	0.2
56.77491	0.2
57.03451	0.3
59.01377	2.5
61.98829	0.7
69.64386	0.6
69.64808	0.9
71.01378	1.8
71.01736	0.3
71.37550	0.2
72.99290	0.2
73.02934	0.4
79.95740	1.8
80.96503	1.0
85.02969	1.2
89.02454	0.5
89.76295	0.2
95.01396	0.2
95.95247	0.7
96.96021	42.9
97.94829	0.3
97.95958	0.2
98.95622	1.2
98.96200	0.2
99.00890	0.3
101.02454	0.7
101.39054	0.2
113.02459	1.0
127.26654	0.2
128.03603	0.4
129.01941	0.3
138.97086	8.5
143.03532	0.2
147.03001	0.2
150.97105	0.4
164.26628	0.2
168.98155	1.0
177.04083	0.2
180.98003	0.3
191.01865	0.3
198.99168	6.0
241.00221	2.2
259.01315	2.6
355.73907	0.2
481.21109	100.0
482.21451	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	2.0
57.03447	2.5
59.01381	12.4
60.74100	0.5
61.98810	1.6
69.41039	1.5
69.41455	4.2
71.01385	19.5
72.99318	1.1
73.02950	8.2
79.95741	3.3
80.96496	1.4
83.01386	4.8
85.02457	0.6
85.02956	12.9
86.00073	1.6
87.00852	1.7
89.02451	2.9
95.01357	1.8
95.95221	2.2
96.96021	50.8
97.02927	0.8
98.95576	3.8
98.96179	0.7
98.96398	0.6
99.00889	3.7
101.01801	1.1
101.02454	21.7
108.02157	0.9
109.02948	0.6
111.00880	0.9
113.02465	9.4
119.03457	0.8
125.02455	0.7
129.01941	1.1
134.34937	0.5
135.04477	1.3
138.97070	2.5
143.03468	0.8
152.01089	0.7
153.01819	0.7
159.02939	1.3
160.04062	0.5
161.04558	3.8
176.08337	0.5
177.03992	0.5
177.09218	1.3
195.13918	0.6
198.99113	0.7
241.00175	6.1
267.31567	0.5
274.15677	0.9
275.16309	1.7
357.18979	1.2
401.18176	20.4
402.18320	1.8
437.14755	0.9
480.19891	0.8
481.13596	100.0
481.19623	12.7
482.13837	10.7
482.19989	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	481.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.6
58.00602	0.2
59.01375	3.1
61.98831	1.3
66.14252	0.3
69.03481	0.2
71.01378	2.3
71.73398	0.3
72.65240	0.2
72.99295	0.3
73.01528	0.2
73.02946	0.7
75.00866	0.5
79.95737	3.6
80.96513	1.0
81.03459	0.4
83.01386	0.6
85.02954	2.6
87.00874	0.5
89.02466	0.5
95.95245	3.2
96.96019	64.4
97.95941	0.6
98.95607	1.1
101.02449	1.7
106.03001	0.2
112.64675	0.3
113.02459	0.6
118.88860	0.3
122.97591	0.8
123.04556	1.5
125.02489	2.4
129.01981	0.4
135.04596	0.3
137.02473	0.4
138.97064	2.0
149.06145	0.4
150.97102	1.3
151.00308	0.5
151.97885	0.4
164.98595	0.4
167.03513	4.3
168.98145	0.4
169.01436	1.4
177.04068	0.7
179.41681	0.3
180.98129	1.0
191.02019	0.6
198.99141	1.4
211.02402	0.3
222.99193	0.3
225.00633	0.3
230.91458	0.2
241.00250	4.8
241.02771	0.3
242.00540	0.4
256.99655	1.4
259.01407	0.8
265.05786	0.8
267.07397	0.3
285.02939	0.5
300.02679	0.2
313.05859	0.7
331.12845	0.3
379.10724	0.4
391.15466	0.7
395.10382	0.4
407.10284	1.1
417.24225	0.3
451.12106	0.3
481.17664	100.0
482.17993	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	481.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.5
59.01376	4.5
61.98822	1.7
69.72845	1.5
69.73259	0.6
71.01383	2.8
71.05018	0.6
72.99311	0.7
73.02951	0.7
75.00858	1.8
79.95737	6.4
80.96532	1.5
83.01401	0.6
85.02950	2.8
87.00891	0.4
89.02444	1.9
90.55548	0.3
93.34158	0.3
95.22003	0.2
95.95245	5.9
96.96020	83.4
97.02968	0.6
97.95959	0.4
98.95605	0.5
99.00883	0.5
101.02454	1.2
103.00398	0.7
109.02969	5.3
111.00924	0.3
113.02428	1.5
116.92929	0.4
119.03525	0.6
119.05057	0.3
120.31844	0.3
122.97560	1.1
123.00970	0.3
123.04518	0.3
125.02443	0.3
134.97682	0.3
135.04572	0.4
138.97101	2.0
139.04031	6.1
140.04405	0.4
149.02486	0.5
149.04567	0.7
149.30479	0.3
150.97105	1.6
152.98639	1.1
153.01953	9.2
153.05508	0.5
154.02255	0.4
158.80174	0.3
164.04785	0.7
164.98668	0.8
165.01953	1.0
168.98122	0.4
177.04103	0.5
179.05614	0.4
180.98112	1.2
181.05054	0.3
191.01978	1.1
198.99202	0.9
208.03737	0.3
209.02899	0.3
213.05533	0.9
213.30005	0.3
222.99176	0.4
223.06113	1.0
225.00740	2.8
241.00244	11.3
241.05090	4.8
242.00357	0.6
242.05521	0.3
249.06181	0.3
256.07379	3.6
256.99753	0.9
259.01233	0.7
271.09732	8.1
272.10117	0.7
283.01266	6.8
305.97791	0.3
319.11722	1.8
319.26868	0.3
322.10541	0.4
327.00073	0.4
345.08249	2.3
395.02454	0.7
395.06628	0.9
421.20685	0.7
435.09836	0.3
437.03528	4.6
438.04111	0.3
451.12827	3.3
452.13132	0.6
481.02710	3.5
481.13809	100.0
482.03650	0.5
482.14066	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	481.1005
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47743	0.7
57.03506	1.3
59.01137	3.3
59.01466	20.1
61.01110	2.1
66.86310	0.7
68.99878	1.3
69.84139	4.1
69.84541	1.3
71.01490	2.9
72.99419	2.7
75.00996	3.5
75.02695	2.2
78.95998	1.7
79.95850	0.8
83.01494	2.3
85.01110	1.5
85.03042	1.4
87.00961	1.7
87.04610	1.0
89.02582	2.1
96.96146	8.2
96.97073	1.6
98.19912	1.0
99.00414	0.9
99.01024	2.3
99.02719	1.0
101.01975	0.9
101.02577	3.2
102.99795	1.3
103.00514	19.3
110.98625	1.0
111.01016	1.0
112.98835	9.9
113.02554	1.1
113.04282	1.5
114.98557	1.5
115.00483	1.1
115.01538	0.7
115.02235	3.3
116.83047	0.7
117.02074	0.7
120.01383	0.7
124.98945	1.6
129.02080	1.2
129.03810	0.9
131.03629	2.2
142.99979	1.8
143.01668	1.5
145.01443	10.7
149.04706	2.3
157.01663	3.0
157.03148	21.3
171.01079	4.3
175.04231	6.9
187.02626	2.2
189.05733	4.9
217.05161	5.0
229.01767	1.2
231.03233	1.3
241.00362	1.4
241.05426	0.9
247.02644	4.7
259.06500	2.5
263.05753	16.3
264.06131	0.9
283.01282	0.9
285.04431	1.3
303.05365	3.1
349.05786	1.3
363.07355	2.9
377.09003	7.7
394.10349	1.0
395.10083	100.0
396.10345	8.7
405.08551	1.1
437.11179	37.9
438.11545	3.9
450.09225	1.4
481.09988	39.2
482.11472	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	480.3094
Annotation	LPE(18:0/0:0)
Peak:m/z	Relative Intensity
61.98830	40.0
69.40233	1.1
69.40640	2.8
78.95908	21.9
80.17885	0.3
93.97327	0.4
96.96963	0.3
98.19855	0.7
110.33652	0.3
122.00136	0.8
136.15230	0.4
140.01210	5.8
142.90562	0.4
152.99612	4.5
171.00665	0.4
171.37210	0.4
196.03804	11.1
214.04912	2.4
227.03510	0.4
245.04196	0.6
253.21590	0.6
255.23235	1.3
283.26419	100.0
284.26752	12.5
338.92462	0.4
409.23398	0.8
415.35056	0.4
457.16647	0.4
480.30945	39.9
481.25534	0.5
481.31351	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	481.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.2
57.03442	1.3
59.01377	3.0
61.85892	0.4
61.98825	1.1
69.65578	3.2
69.95155	0.4
71.01376	2.4
71.05023	7.3
73.02943	0.6
75.00882	1.1
75.69800	0.4
79.95748	3.2
80.96507	0.8
83.01387	2.1
85.02959	7.7
89.02447	0.7
95.05034	2.3
95.95250	2.1
96.96021	38.0
97.02956	10.6
97.95972	0.4
98.19925	0.7
98.95625	0.7
101.02452	1.9
107.01366	0.5
108.02155	0.5
109.02966	15.7
110.03309	0.7
113.02430	0.7
114.26811	0.4
119.05023	0.9
120.01266	0.7
121.03003	0.8
125.02470	1.8
126.75373	0.4
129.01927	0.9
135.04515	0.4
137.02452	2.1
138.97125	2.0
139.04027	100.0
140.04370	4.1
147.03032	0.9
150.97070	0.8
152.01134	1.0
153.01956	37.0
154.02261	1.4
163.03995	2.3
165.01952	13.0
166.02257	0.8
167.03468	1.0
169.01451	2.2
171.25282	0.4
180.98152	0.5
181.05016	0.7
183.02991	1.7
191.01982	3.2
198.99152	1.4
206.92690	0.4
207.02968	0.8
214.98419	0.4
222.99272	0.4
225.00732	0.7
241.00200	3.9
256.99774	0.7
259.01270	1.1
266.18280	0.4
267.07129	0.6
283.01285	0.6
313.05658	0.8
327.07214	2.9
345.08255	43.2
346.08578	4.3
437.07153	0.8
481.13855	45.0
482.14191	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.0783
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67459	0.3
56.50889	0.3
57.03454	0.7
57.11197	0.4
59.01379	7.2
61.98832	100.0
69.63042	1.0
69.63453	2.1
71.01395	1.7
72.03732	0.4
72.99335	0.3
73.02958	1.0
75.00881	1.0
79.95747	1.7
80.96541	0.5
85.02962	2.7
87.00891	0.6
89.02484	0.9
93.03479	1.5
95.95259	0.7
96.96024	24.1
98.95624	1.2
99.00898	0.6
101.02493	1.2
113.02480	1.0
120.01288	0.8
120.71024	0.4
125.02460	0.5
137.02481	1.2
138.97119	1.1
147.95868	0.4
151.00409	0.4
183.53365	0.3
191.02052	0.5
198.99072	0.4
227.03496	9.9
228.03960	1.1
229.05127	1.0
239.16641	0.5
241.00244	2.6
255.02971	15.0
256.03632	2.8
257.17700	1.6
284.03268	18.8
285.04001	12.3
286.04575	1.1
301.03604	0.5
363.59061	0.4
417.08295	28.1
418.08624	4.0
419.22867	0.9
479.19513	4.6
479.25403	3.5
479.32224	0.8
480.20218	8.4
480.25931	1.8
481.07791	0.6
481.17642	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	479.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55602	0.3
55.01877	2.4
57.03447	13.4
58.03769	0.4
59.01376	12.6
60.01702	0.9
61.01798	0.7
61.98830	0.7
68.99826	0.7
71.01375	3.1
71.19194	0.6
72.99306	1.2
73.02956	0.5
75.00865	1.7
79.95767	0.6
83.01396	2.3
84.02177	3.0
85.02957	100.0
86.03300	2.1
87.00892	1.4
88.98818	1.0
89.02483	0.6
95.01390	0.3
95.95232	0.4
96.96018	13.6
98.95550	0.3
99.00912	0.7
101.02450	1.0
103.00378	1.8
103.04031	0.8
107.28032	0.2
111.00895	3.0
113.02460	0.7
115.00379	0.6
129.01953	10.9
138.97096	0.5
147.03008	10.7
148.03372	0.3
173.00923	2.5
177.04102	0.8
183.13936	0.3
191.01982	56.1
192.02347	2.2
198.99156	0.5
209.03000	2.1
217.13329	0.3
241.00256	0.8
256.99686	0.7
287.22299	3.4
355.24905	0.4
417.24881	0.4
461.23972	1.4
479.19485	19.6
479.25244	7.1
480.19827	2.8
480.26083	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	479.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.4
57.03457	0.6
58.00585	0.8
59.01379	100.0
60.01719	1.1
61.98839	1.6
69.03462	0.5
69.70733	0.9
69.71152	0.3
71.01387	16.8
72.01737	0.4
72.99310	0.9
73.02953	9.8
75.00887	0.3
79.95757	0.4
80.96522	0.2
81.03473	0.3
83.01398	4.0
83.01876	0.3
85.02963	4.2
87.00892	1.0
89.02455	9.3
91.46399	0.2
95.01382	1.4
96.96026	3.6
97.02955	0.4
98.95634	0.2
99.00900	0.6
99.04604	0.2
101.02454	12.9
102.02819	0.3
102.22984	0.2
113.02463	9.0
119.03526	3.8
119.04324	0.3
125.02500	0.6
131.03548	1.2
137.09761	0.2
143.03528	1.5
149.04575	0.9
153.96962	0.2
155.03529	0.3
161.04581	3.1
171.36092	0.2
179.05644	1.8
203.05637	0.2
221.06796	0.2
241.00214	0.2
275.20160	0.6
337.03574	0.2
390.82825	0.2
419.24423	2.7
420.24933	0.3
437.25497	2.6
437.69324	0.2
438.25879	0.4
479.13235	0.3
479.19763	2.8
479.26819	0.6
480.19791	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.6
56.29199	0.2
57.03447	3.0
59.01379	5.7
61.98835	1.1
62.91899	0.2
71.01385	3.3
71.44893	0.5
72.99319	0.7
73.02954	0.6
75.00874	0.7
79.95742	13.8
80.96532	1.3
80.96934	0.2
83.01399	0.7
84.02193	0.5
85.02957	20.8
86.03278	0.4
87.00883	0.6
88.00574	0.2
89.02444	0.7
93.03477	0.4
95.95242	21.3
96.96021	62.9
97.02934	0.3
97.95937	0.4
98.95609	0.4
99.00880	0.6
99.78823	0.2
101.02457	1.5
103.00386	0.3
111.00878	0.6
113.02455	0.7
113.35245	0.2
122.97599	0.7
129.01950	2.2
137.02492	1.0
138.97087	2.7
140.01193	0.2
141.95815	0.4
147.03011	2.6
150.97095	5.2
151.97864	2.8
152.98608	0.3
164.98694	0.6
166.95151	0.2
168.98187	0.3
173.00868	0.4
176.98666	0.2
177.04063	2.9
180.98137	0.5
191.01985	11.3
192.02312	0.4
194.99696	0.9
198.99237	0.7
209.03062	0.6
213.00732	1.0
222.99210	1.6
225.00606	0.3
241.00243	5.3
256.99710	4.5
258.00284	0.2
287.22214	0.9
359.10150	1.4
360.11041	0.2
393.12311	0.8
395.13885	0.3
435.13422	0.8
449.18405	0.3
479.19519	100.0
480.19870	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	479.1957
Annotation	Paraensidimerin G
Peak:m/z	Relative Intensity
53.97824	0.2
55.01865	0.2
57.03451	1.0
59.01382	2.4
61.98829	0.9
71.01388	2.5
71.04377	0.3
71.04710	0.3
71.70214	0.2
72.99311	0.3
73.02943	0.3
75.00869	0.6
79.95744	16.2
80.96530	1.2
84.02129	0.2
85.02956	7.0
87.00894	0.2
89.02438	0.2
95.95242	23.4
96.96021	58.9
97.03030	0.2
101.02465	0.6
103.00402	0.2
111.00960	0.3
113.02444	0.2
120.64517	0.2
122.97597	0.8
129.01952	0.8
133.30461	0.2
138.58815	0.2
138.97087	1.9
141.95822	0.3
147.03009	0.8
150.97089	6.2
151.97879	4.1
152.98596	0.2
164.98659	0.5
168.98079	0.4
173.00949	0.3
176.98634	0.5
177.04068	3.9
180.98177	0.5
182.99783	0.2
191.01999	3.7
194.99719	1.1
196.69293	0.2
198.99107	0.3
213.00746	1.0
222.99147	2.2
225.00716	0.2
241.00232	5.6
256.99753	3.3
268.80066	0.2
311.05655	0.2
407.13815	0.3
461.23947	0.2
479.19534	100.0
480.19876	14.5
490.04068	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31831	0.5
54.99057	0.6
55.01869	1.3
56.15652	0.5
56.17510	0.6
57.03438	1.5
59.01377	21.5
61.98823	3.0
69.75983	4.9
70.89715	0.6
71.01386	19.4
72.01732	0.6
73.02958	5.7
75.00877	1.5
79.95744	16.0
79.96203	1.3
80.96534	1.8
83.01392	2.5
85.02956	10.5
87.00900	0.8
88.98845	0.7
89.02449	8.0
95.01393	1.3
95.95242	25.6
96.96021	94.9
98.20454	1.9
98.95628	1.3
99.00896	2.5
101.02460	15.5
103.00379	1.0
113.02460	8.1
113.74954	0.5
119.03522	2.7
122.03811	0.8
122.97617	1.0
129.01949	1.1
138.97083	5.0
143.03485	0.8
150.97104	5.7
151.97896	3.0
152.03539	9.3
152.98587	1.7
159.03102	1.2
161.04604	2.0
177.04066	2.8
180.98166	0.9
194.99696	1.0
198.99130	1.4
213.00746	1.1
222.99144	2.0
225.00876	0.7
229.14465	0.8
241.00227	17.4
249.89868	0.7
256.99768	3.9
259.01352	1.4
283.01297	2.2
394.04532	4.0
399.11795	0.7
399.16568	18.1
400.16891	2.4
436.05588	5.1
479.12289	100.0
479.19455	44.2
480.04651	4.6
480.12589	13.2
480.19675	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	479.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.2
57.03436	0.5
58.00596	0.6
59.01379	3.3
61.98825	1.0
65.31321	0.3
70.12645	1.5
71.01385	2.7
72.99310	0.5
73.02940	0.5
73.23109	0.2
75.00898	0.4
79.06190	0.3
79.95739	6.9
80.96529	1.3
85.02965	2.1
87.00917	0.5
89.02467	1.4
93.03469	0.5
93.41348	0.3
95.94679	0.5
95.95246	7.1
96.96021	71.0
97.95954	0.4
99.00912	0.3
100.72590	0.3
101.02462	1.8
109.96819	0.3
110.06135	0.3
113.02469	0.9
119.03519	0.4
122.06149	0.5
122.97610	1.0
123.04536	1.2
138.97107	1.6
141.95758	0.7
143.03555	0.5
146.06087	0.7
148.77805	0.2
150.97079	1.6
152.98651	0.5
161.04671	0.4
163.04037	0.5
164.98625	1.1
174.05647	0.4
180.98106	1.4
181.05075	0.3
182.99706	0.5
184.52780	0.3
187.06387	0.6
198.99277	0.4
201.09225	0.4
204.06544	1.5
205.07390	0.7
207.05469	0.5
215.09216	0.4
219.05331	0.3
219.10223	0.5
220.73030	0.3
225.00760	4.8
237.06375	0.5
241.00215	7.8
256.99829	0.3
285.12640	0.4
297.12524	0.9
315.13589	1.7
327.13455	2.9
345.14569	4.1
346.14627	0.7
390.13776	0.3
435.09518	0.3
443.19189	0.9
479.12283	100.0
480.12616	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	19.1
59.01382	8.2
61.98815	0.6
70.88120	1.4
71.01385	4.2
73.02946	1.0
75.00874	0.9
79.95745	4.7
80.96532	1.8
83.01382	0.5
83.05049	0.4
85.02956	5.3
87.00885	1.2
89.02443	0.6
89.06094	0.8
93.03471	24.9
94.03825	0.7
95.95231	2.1
96.96024	100.0
99.04527	13.5
101.02460	7.3
103.00411	0.7
111.00867	0.4
111.62877	0.4
113.02464	1.5
120.01287	1.0
120.99767	0.5
121.02956	1.6
122.97620	0.7
123.41637	0.5
125.02546	2.2
125.03296	0.5
134.81010	0.4
134.97520	0.4
137.02528	0.6
138.97081	1.4
141.18292	0.4
143.03503	0.5
147.59627	0.4
150.03253	0.8
150.97072	1.0
152.98622	2.2
155.10799	3.0
161.04585	8.6
164.98657	1.0
165.01993	0.6
177.04216	0.4
180.98126	1.5
191.02014	0.9
198.99152	0.9
199.09779	1.4
215.03552	0.8
222.99147	1.0
229.14354	0.8
237.07686	1.3
241.00238	34.8
242.00334	1.1
242.91347	0.4
245.00784	0.6
249.06137	0.7
251.11331	0.5
256.08972	0.5
257.00980	5.3
258.01273	0.8
259.01559	0.4
261.00406	5.4
283.01181	0.8
297.09830	0.6
299.01901	0.4
317.03268	1.7
323.04407	0.9
331.13699	0.6
335.04413	3.8
385.04333	0.9
386.69778	0.5
393.08945	2.1
399.13116	1.1
417.08578	1.8
419.06628	1.3
435.09915	1.3
437.11145	1.0
461.07251	8.2
462.07565	0.9
477.14264	1.1
479.08698	75.3
479.15964	34.5
480.08990	9.2
480.16116	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95555	0.9
59.01364	1.9
59.48246	0.9
61.98832	11.1
63.02838	0.8
71.01393	12.7
71.05023	19.7
71.73010	0.9
71.73439	1.3
72.00892	1.6
78.01949	0.7
79.68820	0.8
88.04049	16.3
98.02524	1.2
98.06135	1.0
100.04073	0.9
126.09273	14.4
127.09620	0.9
127.54741	0.7
128.07191	83.8
129.07527	2.5
142.82115	0.8
144.02986	4.5
145.59953	0.8
146.08263	8.4
154.55093	0.7
163.11259	1.5
200.09294	100.0
201.09613	4.2
218.10320	11.9
238.72412	0.8
257.73209	0.9
277.21719	84.2
278.22061	10.9
278.24902	1.4
478.31735	63.6
479.31931	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0859
Annotation	6-Hydroxytricetin 5-glucoside
Peak:m/z	Relative Intensity
50.94256	0.6
52.34659	0.5
53.15385	0.5
54.00451	0.6
55.01868	0.7
57.03450	18.5
58.03788	0.6
59.01377	9.8
61.98823	1.0
69.50941	1.2
69.51344	4.1
71.01395	5.2
72.99336	0.6
73.02948	2.2
75.00877	0.9
79.95744	6.0
80.96514	1.9
83.01395	1.3
85.02960	6.9
87.00887	1.1
89.02451	0.9
89.06070	0.8
93.03467	23.8
94.03773	0.8
95.01372	0.9
95.95249	2.1
96.96023	100.0
98.95605	1.0
99.00869	0.9
99.04535	13.1
100.04875	0.6
101.02455	7.5
107.01384	0.7
111.00892	0.6
113.02441	2.1
117.07039	0.5
120.01276	1.5
121.02964	1.8
121.81798	0.5
122.40479	0.6
125.02483	3.1
137.02489	1.3
138.05641	0.6
138.97076	2.1
147.03096	0.7
148.05409	0.5
150.97160	1.1
151.00359	1.6
151.04137	0.7
152.98645	1.9
155.10803	5.0
156.11124	0.5
160.18889	0.6
161.04575	8.0
163.00400	0.8
164.98639	1.3
165.01981	0.6
165.05550	0.6
174.01698	0.7
178.99879	1.5
180.98146	1.5
191.02002	2.0
193.98755	0.6
199.09753	2.2
201.01851	0.7
215.03474	1.1
222.99306	1.0
229.14368	0.8
230.02119	1.6
237.07565	1.1
241.00240	35.4
242.00272	0.8
245.00958	1.6
251.11246	0.8
257.00943	12.0
258.01401	1.1
259.02481	1.4
261.00378	11.6
262.00562	1.1
271.02444	1.6
272.03104	0.6
274.01202	0.9
286.01184	0.7
287.02106	0.7
289.03629	1.0
297.00449	0.5
299.02017	1.5
314.00574	0.9
315.01453	1.4
316.02005	1.4
317.03198	2.7
323.04413	1.2
329.11548	0.8
331.13730	0.7
335.04312	2.2
374.20874	0.8
385.04248	0.6
393.08752	3.5
399.12875	1.2
417.08588	1.5
419.06522	1.1
435.09689	1.4
461.07272	19.7
462.07568	2.3
477.14267	1.6
479.08652	76.1
479.15939	41.1
480.08920	8.9
480.16275	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	478.2938
Annotation	Glycerophospho-N-Oleoyl Ethanolamine
Peak:m/z	Relative Intensity
50.13068	0.2
59.45194	0.2
61.98821	0.3
69.67669	0.5
69.68092	0.7
78.95907	100.0
79.52440	0.2
82.60095	0.2
88.67523	0.2
91.00616	0.1
96.96040	0.3
96.96967	7.9
97.78347	0.2
139.31381	0.2
140.01230	0.4
141.95787	0.2
150.98044	0.2
152.99600	18.9
153.99939	0.3
171.00655	21.5
172.00980	0.4
214.04874	0.3
226.04248	0.2
249.73448	0.2
386.24579	0.4
404.25735	1.7
405.26471	0.2
478.29367	62.1
479.29697	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	478.2941
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
50.75106	0.1
51.97110	0.1
59.01366	0.2
61.98830	0.3
70.60352	0.4
78.95909	8.7
82.99631	0.2
93.21334	0.1
96.96003	0.3
96.96983	0.2
115.13569	0.1
122.00137	0.3
133.75197	0.1
140.01207	2.0
152.99631	1.2
171.00584	0.7
196.03879	0.8
201.04091	0.5
211.13541	0.2
214.02991	0.1
214.04865	2.8
225.15833	0.2
237.48102	0.1
251.20142	0.2
278.21805	0.2
281.24847	100.0
282.21921	0.2
282.25201	10.4
478.29398	15.5
479.08716	0.2
479.29797	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.4
56.27042	0.2
57.03449	1.8
58.00594	0.4
59.01379	10.9
67.01878	0.6
68.99815	0.6
69.03460	0.7
69.62067	1.7
71.01387	10.7
71.01701	0.1
72.99313	3.6
73.02934	1.1
75.00879	9.9
79.95734	0.2
81.03479	0.3
83.01376	0.9
83.05050	0.2
84.02174	0.3
84.18155	0.2
85.02959	12.5
86.03298	0.3
87.00392	0.3
87.00883	4.2
89.02451	2.3
91.04017	0.4
93.03474	0.4
95.01402	3.2
96.96004	1.3
97.02984	0.2
97.06618	0.3
98.75252	0.2
99.00896	6.6
99.04507	0.2
100.01208	0.2
100.34921	0.2
101.02448	0.5
103.00364	1.1
103.51359	0.2
109.02957	0.3
111.00879	0.8
111.04543	0.3
111.08162	0.7
113.02461	12.0
114.02802	0.4
115.00397	1.6
117.01967	1.6
126.81693	0.2
129.01947	1.1
130.99811	0.2
139.00346	0.3
149.04599	0.2
157.01398	0.8
165.12865	7.5
166.13202	0.5
175.02527	1.4
183.13910	72.6
184.14238	5.5
189.04056	0.3
191.01978	0.4
193.81883	0.2
201.11073	0.2
205.07190	0.4
209.11807	1.7
210.11987	0.2
224.90620	0.2
227.12868	4.9
228.13217	0.3
231.05066	1.0
249.06142	8.0
250.06514	0.5
267.07187	3.9
268.07614	0.2
294.08798	0.2
301.13428	0.3
301.16571	3.8
302.16751	0.3
390.60495	0.2
409.49496	0.2
415.19730	4.9
416.20126	0.6
433.20801	0.7
435.26068	0.3
459.18735	2.1
477.19742	100.0
478.20084	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51934	0.1
57.03431	0.7
58.91674	0.1
59.01382	3.0
61.98827	0.5
71.01376	1.6
71.49890	0.3
72.16245	0.1
72.99297	0.4
73.02936	0.5
75.00872	0.4
76.27354	0.2
78.95918	0.2
79.95741	2.6
80.96513	1.4
83.01388	0.2
85.02951	3.6
86.03281	0.2
87.00886	0.4
89.02462	0.9
95.95258	1.2
96.96021	59.1
97.95892	0.2
98.95598	0.2
99.00906	0.3
101.02460	1.1
113.02470	0.6
119.03517	0.2
120.01263	0.5
122.97598	0.5
129.01964	0.4
134.03819	0.2
135.97060	0.2
136.97034	0.2
137.95917	0.1
138.97092	4.6
139.97401	0.2
147.02934	0.3
150.97121	1.0
151.00235	0.2
152.98698	0.3
164.98666	0.3
167.03545	0.4
168.98099	0.3
177.03964	0.3
180.98164	0.8
191.02057	1.0
198.99184	2.4
222.99289	0.2
225.00829	0.3
241.00238	4.1
242.00525	0.2
252.33020	0.2
256.99683	0.5
259.01236	0.7
273.07504	0.2
345.22757	0.3
461.14627	0.2
462.15912	0.2
477.17993	100.0
478.18365	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.2
59.01374	1.9
61.36582	0.1
61.98862	0.2
69.67569	1.2
71.01389	1.0
72.99290	0.2
73.02950	0.3
79.95742	2.6
80.26260	0.1
80.96524	1.2
82.55689	0.2
85.02951	0.9
87.00900	0.2
89.02452	0.3
92.69223	0.1
95.95246	0.9
96.96018	59.9
97.95943	0.4
101.02455	0.6
113.02454	0.4
122.97589	0.6
138.97089	6.1
149.06136	0.2
150.97089	0.8
152.98657	0.2
164.98647	0.3
168.98114	0.4
177.50771	0.2
180.98106	0.5
198.99174	3.9
225.00905	0.3
241.00226	4.9
242.00351	0.2
259.01266	1.4
283.01239	0.2
359.15204	0.2
391.06915	1.0
417.25067	0.2
433.08194	0.9
477.17975	100.0
478.18311	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	477.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57752	0.2
57.03440	0.5
57.78698	0.2
59.01376	6.6
61.98828	1.1
67.43000	0.3
68.55970	0.2
69.03431	0.3
69.71626	1.2
69.72036	0.4
71.01378	2.6
72.99300	0.6
73.02939	1.1
75.00862	0.8
79.63284	0.2
79.95743	3.9
80.73734	0.2
80.96513	1.3
82.05410	0.2
83.01395	0.7
83.30346	0.2
85.02962	2.3
87.00851	0.6
88.08482	0.2
88.09065	0.2
89.02462	1.0
95.56609	0.2
95.95239	2.1
96.35699	0.2
96.96021	74.7
97.02919	0.3
98.14504	0.2
98.20618	0.5
98.95610	0.6
99.00877	0.3
101.02456	1.5
111.00873	0.3
113.02465	0.9
118.67049	0.3
120.01254	0.3
122.56994	0.2
122.97580	0.6
129.01988	0.3
133.02966	0.3
138.97095	6.6
143.03531	0.2
145.05103	0.4
150.97083	1.3
161.04628	0.4
164.98706	0.4
168.98119	0.5
175.02542	0.6
180.98227	0.7
181.12355	1.1
198.99202	4.3
222.99188	0.3
225.14966	0.7
227.03343	0.3
241.00243	4.0
242.02536	0.3
243.02971	2.1
244.03447	0.3
255.16017	0.5
257.04590	0.7
259.01230	1.6
264.08774	0.3
271.02475	2.6
278.10406	0.3
285.04019	1.2
286.04852	0.5
292.11780	0.3
299.01929	1.3
300.02676	0.8
314.04352	3.0
315.05130	0.7
345.15527	0.5
345.22833	1.1
417.25125	0.4
433.17209	0.4
433.24762	0.3
477.18192	100.0
478.18576	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.2
57.03442	0.5
59.01377	6.0
60.01693	0.4
61.98514	0.2
61.98825	0.4
67.75502	0.2
71.01382	1.8
71.73519	0.4
73.02962	0.4
75.00874	0.3
79.95749	2.4
80.96532	1.1
83.01382	0.3
85.02953	2.4
87.00880	3.3
89.02452	0.6
95.01424	0.2
95.95245	1.6
96.96020	64.7
101.02453	1.0
106.80120	0.2
113.02393	0.6
120.03754	0.2
122.97601	0.4
130.95848	0.3
134.03761	0.4
138.97089	6.3
150.97050	0.8
152.98680	0.4
163.03983	0.4
164.98648	0.3
167.87782	0.3
168.98129	0.7
169.12282	0.2
175.04042	0.8
175.90343	0.3
176.65427	0.2
180.98155	0.6
190.06393	0.4
191.01994	0.5
191.07097	0.3
194.99637	0.2
198.99176	3.1
205.08681	0.3
207.06444	0.3
208.07365	0.4
213.11276	0.5
241.00214	5.1
242.00616	0.4
256.99652	0.4
259.01239	1.3
283.01450	0.3
315.05066	0.3
329.10306	0.7
341.10373	0.5
344.12650	0.9
345.22897	0.3
356.12933	0.3
359.14908	3.1
360.15308	0.3
371.14813	1.3
391.06970	1.1
417.25208	0.3
433.08051	1.1
477.18039	100.0
478.18445	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	477.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87741	0.7
57.03446	0.8
58.00595	1.8
59.01378	8.2
59.62858	0.7
61.98822	2.8
70.42593	1.7
70.42973	2.8
71.01382	5.0
72.99306	1.1
73.02951	1.3
75.00874	1.0
78.95900	1.0
85.02949	6.2
87.00877	5.8
89.02456	2.4
93.03497	0.8
95.01376	1.1
96.60645	0.8
96.96022	12.0
99.00927	0.9
99.04500	0.8
100.22629	0.7
101.02428	1.5
104.29486	0.9
113.02442	2.3
114.01900	0.9
117.03444	0.9
118.22753	0.7
121.02967	2.0
122.03775	0.8
123.04506	0.8
129.02032	0.7
137.02509	0.9
139.04079	1.0
139.05151	2.4
141.01952	2.0
145.03000	2.6
149.01274	1.3
149.02461	25.8
150.03244	48.8
151.03641	2.2
161.02496	3.5
162.03284	3.8
163.03972	1.6
164.04805	13.7
165.05585	100.0
166.05945	6.3
177.05603	3.3
180.04298	2.6
181.01311	0.7
191.02003	1.5
195.06641	32.0
196.07024	1.9
209.03061	1.3
241.00333	2.4
249.06219	1.7
268.36176	0.8
283.26508	1.1
300.99878	1.6
369.11911	20.9
370.12289	2.9
399.13348	0.9
417.17825	0.9
477.12811	6.0
477.20273	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03433	0.3
58.08611	0.3
59.01382	0.7
62.96401	0.5
69.41350	3.8
69.41762	0.8
78.95907	100.0
96.96973	7.1
97.15019	0.3
97.91354	0.4
97.93082	0.4
106.86833	0.3
118.24657	0.4
122.00173	1.1
124.39969	0.4
140.01196	5.8
152.99602	14.4
171.00661	15.3
194.09734	0.4
196.03813	12.1
214.04860	2.3
274.86017	0.4
279.23276	96.2
280.23599	11.4
280.26669	0.8
302.33746	0.5
306.92535	0.4
354.68533	0.4
402.24234	1.2
476.27805	77.9
477.28104	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	476.2781
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
58.07043	0.2
59.01370	0.5
71.49931	0.5
74.14603	0.3
77.96818	0.3
78.95910	23.1
81.35701	0.2
96.96988	1.5
114.86787	0.2
127.63470	0.2
140.01193	1.9
148.41780	0.2
152.99614	3.7
169.24689	0.3
171.00655	3.4
177.00464	0.2
196.03798	1.1
214.04869	3.0
261.22244	0.4
279.23279	100.0
280.23621	11.6
443.14471	0.3
465.30731	0.3
476.27826	22.8
477.28052	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	476.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
63.15311	0.3
68.30405	0.2
69.43894	2.5
69.44235	0.2
78.51865	0.2
78.95908	100.0
94.73026	0.3
96.96972	8.1
98.20615	0.4
112.56216	0.2
140.01199	0.7
150.97980	0.5
152.78252	0.2
152.99605	17.0
153.99921	0.3
171.00655	20.6
172.00896	0.4
190.93626	0.2
200.46126	0.2
215.07761	0.2
279.23279	0.5
357.56519	0.3
402.24023	1.3
423.93680	0.3
476.27811	62.2
477.28119	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	477.1041
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
55.01870	1.1
57.03436	1.1
59.01376	20.7
61.98824	0.8
63.05428	0.5
69.30583	0.4
71.01375	3.3
71.73142	0.8
72.99316	0.6
73.02950	1.5
75.00872	2.0
79.95736	4.4
80.96519	1.6
83.01397	0.7
85.02970	4.0
87.00866	0.8
89.02457	1.4
95.95227	2.1
96.96017	77.5
98.95587	0.6
99.00914	0.5
101.02456	2.4
103.00342	0.6
107.01454	0.5
113.02470	1.4
122.97598	0.8
125.02438	1.7
129.01973	2.0
138.97076	6.4
147.02986	2.2
149.67653	0.5
149.99580	0.6
150.97066	0.7
151.00362	1.6
153.01979	0.6
153.38797	0.5
164.98596	0.7
165.04031	0.5
169.01357	0.8
171.04532	0.8
175.02464	0.6
180.98132	0.5
181.12354	12.0
182.12679	0.7
198.99216	2.9
199.03999	2.9
201.01997	1.0
203.03531	0.8
215.03456	2.8
225.11412	2.9
225.14923	5.0
226.02827	0.6
227.03465	2.7
229.14354	0.5
241.00179	5.4
242.02171	5.2
243.02962	29.6
243.12302	0.8
244.03313	2.1
255.02951	0.7
257.04532	7.3
258.05090	0.6
259.01328	1.6
269.13831	1.3
270.01678	7.6
271.02438	28.6
272.02896	2.3
285.00870	1.0
285.04031	17.3
285.13333	3.6
286.04758	5.4
287.04984	0.5
299.01990	6.1
300.02786	3.5
301.03275	0.8
314.04309	32.1
315.01202	0.7
315.04913	8.4
316.05594	0.6
329.16003	3.3
345.22821	1.3
357.06204	0.9
373.15134	0.8
383.59119	0.4
391.15366	0.5
433.17142	5.8
434.17450	0.7
477.10400	69.6
477.17984	100.0
478.10638	10.5
478.18292	13.4
494.77704	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	18.6
61.50307	6.0
61.98833	14.8
65.64987	6.3
71.21435	10.8
71.21773	13.5
78.95901	100.0
79.63757	5.9
96.96003	10.5
96.96952	12.1
96.99212	6.5
152.99634	34.9
158.17172	4.8
165.89923	5.2
171.00674	30.6
189.41205	6.5
200.70311	5.8
277.21780	13.7
279.23270	27.0
475.17184	12.5
475.27197	15.1
476.27744	46.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24736	0.3
55.01887	0.3
57.03443	1.4
59.01377	100.0
60.01697	1.9
60.27844	0.2
61.98830	4.1
69.81689	0.8
69.82111	1.1
71.01381	3.7
72.99316	0.6
73.02959	1.1
75.00879	1.2
79.95734	1.3
80.96512	0.5
81.05324	0.2
83.01387	0.9
85.02962	9.0
86.03295	0.4
86.62619	0.3
87.00883	5.3
89.02456	1.3
95.01441	0.3
95.95238	0.9
96.96018	12.3
97.03011	0.6
98.95586	0.6
99.00909	0.6
99.04530	0.4
101.02443	1.9
111.00932	0.3
113.02449	1.5
118.72974	0.3
119.03564	0.4
119.05071	0.3
120.01276	0.8
121.02910	0.3
123.04568	0.7
125.02473	0.7
128.99294	0.6
129.02000	0.9
136.01694	1.8
136.07767	0.3
138.97078	0.5
139.04082	0.6
145.03033	0.3
147.03055	0.8
148.05368	0.8
149.05685	0.7
151.00404	0.3
151.04060	1.9
153.09274	0.3
161.04492	1.2
163.07668	1.2
164.07959	1.3
165.05551	0.3
166.02791	0.9
167.03511	3.0
181.05118	1.2
185.85696	0.3
191.01985	3.2
192.02344	0.5
193.02545	0.3
200.67679	0.3
216.15332	0.2
241.00365	1.2
249.06143	0.4
251.82082	0.3
255.74376	0.3
256.99875	0.8
267.07431	0.3
327.21930	0.7
357.09964	0.8
372.12463	0.4
387.14514	2.8
388.15329	0.5
389.09250	0.4
415.23294	1.4
431.10059	0.3
431.22525	0.4
433.24301	0.4
439.81528	0.3
461.30084	0.3
474.70163	0.3
475.16446	8.5
475.30707	1.2
476.16806	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	475.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.8
57.03447	2.4
58.00581	0.5
59.01378	100.0
60.01711	1.3
61.98826	0.9
65.42397	0.3
67.01888	0.5
69.03460	0.6
71.01387	9.0
71.03642	0.4
71.03963	0.8
72.99306	3.3
73.02943	3.2
75.00876	7.5
75.14511	0.3
79.95743	0.5
83.01385	0.9
85.02955	13.8
85.03458	0.7
87.00888	3.1
87.90399	0.4
89.02459	2.5
93.03464	3.2
95.01398	2.8
95.95250	0.5
96.96018	7.3
98.20353	0.6
98.95602	0.6
99.00893	5.4
99.04525	0.6
101.02452	2.0
103.00398	1.4
107.05056	0.7
111.00877	0.6
113.02460	14.6
115.00412	1.2
117.01958	1.3
119.03535	0.7
127.04041	0.5
129.01965	1.3
131.03528	0.8
133.89433	0.3
137.02458	3.4
139.00404	0.4
139.11302	6.9
140.35440	0.3
147.03024	0.5
160.01672	1.4
161.04578	0.9
163.11252	0.6
175.02493	1.2
175.04041	1.3
179.05600	0.4
181.12370	6.0
182.12601	0.4
183.10265	5.6
191.01993	1.0
193.03484	0.7
196.20107	0.4
225.11305	4.0
231.05107	0.5
241.00264	1.7
243.12299	0.5
249.06116	5.3
250.06464	0.4
267.07056	0.3
299.15051	0.5
337.09274	1.4
363.20282	0.3
404.19489	0.4
413.18613	0.6
415.23529	0.5
420.11163	0.4
431.19135	2.9
432.19730	0.5
457.17111	3.2
458.17422	0.5
475.18173	57.4
476.18497	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	34.1
61.98829	20.6
71.72718	7.9
78.95903	100.0
88.76469	5.2
88.86610	5.9
90.09048	6.2
96.96011	12.0
96.97038	7.6
120.53915	5.6
139.29457	5.4
152.99591	17.6
160.73785	6.5
171.00601	17.4
185.21191	6.6
277.21741	19.1
279.23260	9.4
475.26575	11.6
476.27841	81.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.8
55.44651	0.4
57.03448	2.5
59.01379	13.0
60.99279	0.5
61.98825	0.8
67.01910	0.6
68.20237	0.4
68.95396	0.4
68.99824	1.4
69.03453	1.0
69.72205	2.5
71.01382	13.1
72.99321	2.7
73.02957	1.6
75.00875	10.2
79.95753	0.5
81.03479	0.5
83.01392	1.0
83.05047	1.0
85.02956	14.8
86.95300	0.4
87.00884	4.0
88.98813	2.1
89.02443	3.8
91.04019	0.7
93.03478	0.9
95.01388	3.4
95.05039	0.8
96.96008	4.9
97.02982	1.1
97.06567	0.7
98.95606	0.8
99.00883	6.3
101.02473	1.2
103.00383	1.7
107.05035	0.7
109.02970	1.1
109.06673	0.5
110.03795	0.5
111.00916	1.0
111.04514	3.5
113.02458	17.1
115.00383	2.0
115.04003	0.6
115.92112	0.4
117.01960	1.4
120.01290	1.7
120.94222	0.4
121.02963	1.0
123.08202	0.7
124.05339	0.8
125.02450	0.5
125.06094	5.8
129.01958	1.0
131.03539	0.5
137.09752	0.8
138.06877	1.6
139.07680	0.8
147.08130	0.5
149.04552	0.7
149.28545	0.4
153.09248	3.2
161.04578	0.7
163.11298	18.4
164.11659	1.2
165.09300	1.1
175.02454	1.0
181.12325	1.2
189.04041	0.5
189.09210	0.5
196.81522	0.4
205.07118	0.4
207.10249	7.4
208.10670	0.9
225.07784	0.7
225.11314	11.4
225.13562	0.7
226.11685	1.0
231.05092	2.3
241.00307	0.6
249.06137	27.3
250.06502	1.3
259.76624	0.4
267.07184	3.0
289.02386	0.4
312.65329	0.4
335.76947	0.5
354.04175	0.4
358.36349	0.5
363.51389	0.4
457.17084	1.3
475.18262	100.0
476.18579	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	475.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	78.6
58.03783	1.1
59.01381	15.7
60.97023	0.7
61.39254	0.6
69.54871	0.6
70.13158	0.6
71.01389	7.5
73.02938	2.6
77.74643	0.6
79.95748	4.5
80.96516	1.8
81.03432	0.9
83.01363	1.5
85.02958	6.4
87.00881	1.0
89.02435	1.3
95.01389	0.7
96.96021	40.5
98.95641	0.7
99.00872	1.0
99.04531	41.0
100.04848	1.5
101.02454	22.3
110.00088	1.9
111.00890	3.8
113.02483	3.9
120.01243	1.4
124.01598	0.6
125.02456	15.5
137.02425	0.7
137.99574	1.9
139.00395	34.6
140.00682	1.2
143.03508	1.3
144.38217	0.8
149.04507	0.9
152.01128	1.9
152.63770	0.6
153.01959	43.8
154.02737	45.6
155.03261	2.0
161.04579	17.7
164.98647	1.5
165.05588	0.8
167.03523	7.5
168.02905	1.3
168.04305	22.3
169.05081	67.7
170.05470	3.6
170.06721	0.7
179.03456	1.2
180.98102	1.1
191.01889	0.6
191.03549	0.8
195.06618	0.9
195.13747	0.6
209.04507	0.9
211.06104	0.8
232.22903	0.7
241.00143	1.8
243.08714	0.8
251.11366	7.7
293.12421	0.8
310.16754	0.7
313.05878	2.9
313.09323	1.8
331.06903	7.1
331.10309	21.2
332.10611	1.4
373.07162	0.9
373.11453	15.4
374.11713	2.5
395.15677	1.0
413.11035	2.9
413.15210	1.7
415.09125	1.7
432.06155	0.7
475.11151	100.0
476.11374	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	474.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18362	0.2
57.03445	0.7
59.01379	31.8
61.98831	100.0
68.02538	0.3
70.87160	0.8
71.01395	1.0
73.02958	0.6
79.95718	0.4
82.37074	0.2
83.01388	0.2
85.02955	3.2
86.03291	0.3
96.96023	2.6
101.02457	0.4
113.02444	0.3
128.99261	0.4
129.01965	0.6
147.02966	0.3
148.05324	24.0
149.05669	1.1
155.61148	0.3
156.65663	0.2
158.34717	0.3
161.04614	0.3
163.07668	32.3
164.07991	1.6
167.45378	0.2
191.02000	1.2
248.99538	0.2
258.00119	0.3
263.01822	0.3
474.20740	0.4
474.31110	0.4
475.16647	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	474.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.9
71.44022	0.3
71.44344	0.4
73.70935	0.3
78.95909	27.4
96.96963	2.2
122.00164	0.3
140.01216	2.3
152.99623	4.0
171.00648	4.6
196.03755	1.3
214.04857	3.4
259.20560	0.5
277.21713	100.0
278.22070	10.8
314.21606	0.2
400.22739	0.3
474.26239	26.3
475.26569	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	474.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20468	0.3
59.01361	0.5
64.93465	0.3
71.15538	0.8
73.82343	0.3
74.03933	0.2
78.58592	0.2
78.95908	100.0
96.96969	7.2
108.42300	0.3
122.00158	0.4
140.01212	2.1
148.78133	0.3
150.98013	0.4
151.58092	0.3
152.99606	16.9
153.99895	0.3
171.00659	19.7
172.01021	0.6
196.03828	3.8
214.04907	1.0
225.32469	0.3
225.43419	0.3
277.21713	26.0
278.22098	3.7
295.34564	0.2
307.09131	0.3
366.42468	0.3
400.22519	1.8
466.43988	0.3
474.26242	61.9
475.26608	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	474.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.4
61.98829	100.0
69.62589	3.5
71.01391	0.5
78.95878	0.6
87.90553	0.4
96.21763	0.4
98.19821	0.8
101.70095	0.4
110.65005	0.5
138.66379	0.4
198.24271	0.5
224.57013	0.4
231.66800	0.5
277.21686	2.0
475.26682	0.6
478.01416	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47091	0.6
52.15386	0.5
55.01878	0.6
57.03449	68.2
58.03791	1.1
59.01099	1.2
59.01378	17.0
61.98811	0.6
71.01382	7.2
71.61741	0.5
71.71910	0.6
71.72322	0.8
73.02956	3.0
79.95747	4.9
80.96503	1.6
83.01385	1.4
85.02953	7.2
87.00853	1.4
89.02442	2.5
94.53883	0.6
96.96021	41.5
97.02918	0.7
99.00894	1.6
99.04530	37.4
100.04842	0.7
101.01787	1.2
101.02451	23.8
102.02832	0.6
103.00416	0.7
106.17722	0.5
110.00107	1.2
111.00880	3.2
112.39944	0.5
113.02436	4.3
120.01263	1.1
125.02463	11.3
133.80028	0.6
137.02444	0.6
137.99556	1.5
139.00394	25.6
143.03496	0.9
145.01373	0.6
147.02950	0.6
149.06088	0.6
152.01137	1.3
153.01955	32.3
154.02739	33.5
155.03316	1.4
159.02979	1.4
161.04572	17.3
162.04865	1.0
164.98602	1.7
166.02716	0.7
167.03506	4.7
168.04289	17.1
169.05074	48.1
170.05394	2.2
181.04939	0.8
185.91658	0.6
191.02034	0.8
191.03557	0.8
195.06525	0.7
241.00201	2.2
249.06259	0.7
251.11386	7.4
252.11642	0.8
313.02695	0.6
313.05902	2.9
313.09457	1.4
327.81497	0.6
331.06876	8.7
331.10315	15.2
331.16016	0.8
332.06964	0.8
332.10773	1.0
343.88446	0.6
373.11472	11.9
374.11722	1.8
377.88467	0.7
389.11496	0.8
395.15427	0.9
413.10931	2.5
413.15216	1.2
415.08987	2.0
475.11133	100.0
475.17731	3.5
476.11502	10.0
476.18216	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.3
59.01378	100.0
60.01717	1.0
61.98834	0.2
70.49343	0.9
70.49706	0.3
71.01385	1.4
73.02975	0.7
75.00877	0.3
79.95744	0.2
85.02958	1.8
87.00912	0.2
89.02457	0.7
96.41903	0.2
96.96030	2.1
101.02465	0.9
113.02490	0.9
119.03534	0.2
147.03056	0.3
150.14830	0.2
161.04604	0.3
191.02016	0.4
225.55975	0.2
267.07056	0.3
371.20837	0.7
386.16492	0.2
413.21887	0.8
473.14627	0.3
473.24780	2.3
474.24130	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.3
59.01380	100.0
60.01725	1.4
69.05610	0.3
69.59792	0.5
69.60211	1.6
71.01388	1.0
73.02950	1.2
75.00899	0.5
79.95744	0.5
80.15974	0.2
83.01392	0.3
85.02979	0.9
95.95224	0.4
96.96019	5.9
101.01872	0.3
101.02449	1.3
113.02453	1.2
121.52927	0.3
135.02995	0.3
155.84360	0.2
179.10739	0.5
241.00197	0.5
249.06224	0.4
267.07214	1.3
341.12262	0.3
369.12225	7.3
370.12708	0.8
389.66025	0.3
429.17639	0.4
470.09131	0.3
473.16891	12.0
474.17294	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	473.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.6
57.03448	3.0
58.00598	0.3
59.01380	100.0
60.01719	1.6
61.98833	4.4
62.10738	0.2
68.99855	0.4
69.69476	2.0
71.01389	3.9
71.05040	0.2
72.99311	0.7
73.02951	1.1
75.00890	0.7
79.95751	0.7
80.96535	0.3
83.01407	1.3
83.04990	0.3
83.25246	0.2
84.02194	0.7
85.02959	22.1
86.03304	0.5
87.00900	0.7
87.04553	0.2
89.02459	0.7
95.01414	0.3
96.96021	9.2
97.02963	0.2
99.00896	1.4
101.02451	1.7
103.00369	0.3
111.00893	1.2
113.02460	1.7
115.00375	0.3
117.03506	0.3
119.05105	0.3
120.01343	0.3
129.01959	2.3
138.97089	0.3
143.03471	0.3
145.02966	0.7
147.03029	2.5
155.10847	0.2
160.04095	0.3
161.04623	0.8
163.04144	0.4
173.00980	0.7
185.01057	0.2
186.84067	0.3
191.01985	9.6
192.02374	0.3
209.03125	0.5
223.04163	0.3
241.00278	0.7
249.06261	0.4
256.02643	0.2
267.07343	0.4
281.17627	0.3
300.02600	0.3
327.07410	0.4
331.60022	0.3
369.12491	0.3
371.20911	0.9
408.15021	0.2
413.22000	1.1
473.20670	3.9
474.16306	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.2
57.03448	12.5
57.59216	0.4
59.01379	82.6
60.01715	1.1
61.98834	7.1
68.99819	1.5
71.01385	9.0
71.05036	0.8
71.73174	0.6
72.99314	3.0
73.02946	2.4
73.54565	0.4
75.00874	5.4
79.95741	2.5
80.96524	0.7
83.01403	3.8
84.02174	2.6
85.02959	100.0
85.06594	0.8
86.03295	1.9
87.00881	3.6
89.02455	2.7
95.01364	1.0
95.95250	0.6
96.96023	32.2
98.95684	0.5
99.00903	2.1
101.02459	2.7
103.00373	2.7
111.00888	5.2
113.02463	6.5
115.00379	1.2
117.01913	0.5
118.60870	0.4
121.02944	0.6
129.01076	0.8
129.01965	11.7
130.02289	0.7
133.01370	0.6
135.03073	0.7
138.97031	0.7
145.01472	0.5
145.03012	0.4
147.03015	12.6
150.97011	0.4
151.64746	0.4
154.99930	0.7
161.04610	0.7
163.07454	0.4
168.04063	0.4
173.00996	2.9
180.98206	0.8
191.01993	49.8
192.02280	2.0
207.13829	1.0
209.03078	2.5
217.35678	0.4
223.04242	0.7
223.13319	1.6
241.00258	3.2
249.06125	5.7
251.12500	0.5
251.16493	0.5
267.07184	11.3
268.07504	0.5
281.17703	1.1
289.90289	0.5
301.03311	0.5
308.55850	0.4
316.05087	0.4
369.12296	11.2
370.12473	0.9
371.20389	0.5
402.15640	0.4
405.08313	0.9
413.21445	0.7
429.16919	0.6
447.09106	0.6
455.19006	1.2
473.15747	10.9
473.20114	20.0
473.31021	1.1
474.15933	1.6
474.20563	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	473.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54821	0.2
53.01985	0.2
54.79239	0.3
55.01879	0.5
57.03449	2.7
58.00593	0.4
59.01379	100.0
60.01715	0.9
61.98830	1.0
68.99850	0.4
69.03435	0.6
69.50334	1.9
69.50757	0.7
71.01385	8.0
71.01765	0.5
71.05033	0.4
72.99310	1.3
73.02965	1.7
75.00880	4.8
76.73056	0.3
79.88074	0.2
79.95739	2.6
80.96532	0.9
81.03465	0.3
83.01408	0.8
84.02174	0.3
85.02960	18.5
86.03284	0.4
87.00883	2.3
89.02454	2.7
91.17208	0.3
95.01405	1.7
95.95250	2.7
96.96022	49.2
97.02940	0.3
98.30753	0.3
98.95600	0.4
99.00901	2.8
99.04528	0.4
99.92621	0.4
101.02463	3.5
103.00391	1.4
103.04025	2.3
111.00912	0.7
113.02462	10.2
115.00415	0.7
115.92105	0.5
116.92873	2.3
117.01967	0.8
119.03529	0.5
120.01281	0.5
121.03017	0.3
122.97570	0.6
126.19991	0.3
129.01950	1.9
131.03532	0.9
133.10329	0.3
135.03027	3.0
135.11803	1.1
136.11086	0.3
138.97078	1.2
138.98062	0.3
143.03548	0.7
147.03018	1.7
149.04485	0.7
150.97066	1.6
158.93938	0.4
159.08041	0.4
161.04565	0.8
161.09744	0.8
163.04004	0.3
164.98595	0.6
173.00975	0.5
175.02487	0.6
179.10777	3.4
180.98160	0.8
191.01982	6.0
192.02238	0.3
197.11961	0.4
198.99222	0.6
209.02997	0.7
223.04320	1.0
223.09743	0.5
225.00793	0.6
231.05228	0.3
241.00256	3.9
241.71164	0.2
244.62701	0.3
248.92749	0.3
249.06166	5.3
256.99756	0.6
259.01263	1.0
267.07187	17.5
268.07556	0.9
271.02451	0.3
311.15033	0.4
341.12317	0.9
369.12244	41.6
370.12595	3.6
387.13263	1.2
413.21786	0.3
429.17783	6.4
430.17828	0.7
465.17194	0.3
473.16769	74.8
474.17120	9.9
474.23788	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.4
56.45328	0.9
57.03452	7.2
58.00591	2.0
59.01379	42.9
61.98834	2.4
64.62819	0.8
69.03452	3.5
71.01385	50.0
71.71741	1.2
72.01700	1.6
72.99313	4.2
73.02954	9.0
74.64050	1.0
75.00875	2.1
78.95911	12.4
79.95719	1.1
80.55464	1.0
83.01392	5.3
83.92279	0.9
85.02961	34.2
87.00892	3.3
87.04540	1.7
88.98813	2.8
89.01913	2.2
89.02454	38.8
93.03472	18.5
95.01385	1.7
96.96019	21.2
96.96974	26.9
97.02979	3.3
98.95608	2.2
99.00896	6.8
99.04537	2.8
101.02451	34.7
102.02797	1.3
107.05077	1.1
108.02131	1.1
109.02958	2.7
111.00907	3.0
113.02463	15.5
119.03539	6.1
119.05039	4.7
119.07137	4.1
120.01263	1.9
121.02995	2.5
122.06143	3.4
125.02470	7.4
129.01936	4.1
129.07486	1.2
131.03528	8.1
133.62589	0.9
135.04562	4.0
137.02480	2.8
138.05618	2.8
143.03531	4.8
146.08226	2.9
147.03015	2.7
148.95314	1.0
149.04575	10.1
149.06020	5.5
150.05663	5.7
151.04062	1.1
156.05856	1.2
157.06609	3.0
159.03009	1.4
161.04546	12.2
166.05110	1.4
167.08238	4.6
168.06686	17.7
175.07755	1.2
177.05585	36.8
178.05959	1.9
189.05565	6.3
191.01993	12.4
191.05566	2.8
192.02492	1.0
209.02994	5.4
219.06662	7.1
221.04555	4.3
233.06662	1.7
236.81494	1.1
241.00200	1.2
281.07053	7.3
281.12408	56.7
282.06668	1.6
282.12619	4.8
290.85965	1.0
293.08792	3.7
311.07715	19.3
312.08023	2.4
413.16629	100.0
414.17090	9.0
473.08948	1.8
473.16364	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	473.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54821	0.2
53.01985	0.2
54.79239	0.3
55.01879	0.5
57.03449	2.7
58.00593	0.4
59.01379	100.0
60.01715	0.9
61.98830	1.0
68.99850	0.4
69.03435	0.6
69.50334	1.9
69.50757	0.7
71.01385	8.0
71.01765	0.5
71.05033	0.4
72.99310	1.3
73.02965	1.7
75.00880	4.8
76.73056	0.3
79.88074	0.2
79.95739	2.6
80.96532	0.9
81.03465	0.3
83.01408	0.8
84.02174	0.3
85.02960	18.5
86.03284	0.4
87.00883	2.3
89.02454	2.7
91.17208	0.3
95.01405	1.7
95.95250	2.7
96.96022	49.2
97.02940	0.3
98.30753	0.3
98.95600	0.4
99.00901	2.8
99.04528	0.4
99.92621	0.4
101.02463	3.5
103.00391	1.4
103.04025	2.3
111.00912	0.7
113.02462	10.2
115.00415	0.7
115.92105	0.5
116.92873	2.3
117.01967	0.8
119.03529	0.5
120.01281	0.5
121.03017	0.3
122.97570	0.6
126.19991	0.3
129.01950	1.9
131.03532	0.9
133.10329	0.3
135.03027	3.0
135.11803	1.1
136.11086	0.3
138.97078	1.2
138.98062	0.3
143.03548	0.7
147.03018	1.7
149.04485	0.7
150.97066	1.6
158.93938	0.4
159.08041	0.4
161.04565	0.8
161.09744	0.8
163.04004	0.3
164.98595	0.6
173.00975	0.5
175.02487	0.6
179.10777	3.4
180.98160	0.8
191.01982	6.0
192.02238	0.3
197.11961	0.4
198.99222	0.6
209.02997	0.7
223.04320	1.0
223.09743	0.5
225.00793	0.6
231.05228	0.3
241.00256	3.9
241.71164	0.2
244.62701	0.3
248.92749	0.3
249.06166	5.3
256.99756	0.6
259.01263	1.0
267.07187	17.5
268.07556	0.9
271.02451	0.3
311.15033	0.4
341.12317	0.9
369.12244	41.6
370.12595	3.6
387.13263	1.2
413.21786	0.3
429.17783	6.4
430.17828	0.7
465.17194	0.3
473.16769	74.8
474.17120	9.9
474.23788	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1698
Annotation	Petromurin D
Peak:m/z	Relative Intensity
57.03447	1.1
59.01379	100.0
60.01714	1.4
61.98854	0.5
69.94634	0.5
70.32879	0.4
70.75076	1.3
71.01377	3.8
72.99339	0.8
73.02962	1.5
73.40776	0.4
75.00893	1.1
79.95744	4.2
80.96532	1.8
81.08533	0.4
83.01408	1.0
83.54436	0.4
85.02959	7.3
86.09230	0.5
87.00845	0.4
89.02442	1.1
95.95248	3.4
96.96021	50.8
97.10949	0.4
98.95635	0.4
99.00918	0.5
101.02457	3.1
103.04020	2.6
109.85474	0.4
113.02473	1.9
129.01915	0.9
135.03024	1.7
138.97124	1.1
139.97469	0.5
147.02971	0.4
150.97089	1.4
161.04486	0.8
168.03091	1.0
177.04173	0.7
179.10800	1.3
180.98190	0.8
183.04619	0.4
188.91136	0.4
191.01987	1.7
207.13930	0.7
222.99367	0.5
223.09818	0.7
225.00841	0.7
241.00246	4.4
249.06143	0.7
256.99869	0.6
267.07275	1.3
341.12405	0.8
353.19714	0.9
369.12250	51.6
370.12589	4.7
371.20624	1.1
373.30685	0.4
385.11728	0.6
387.13306	1.3
413.21896	1.3
429.14328	0.5
472.65707	0.5
473.16956	74.3
474.17334	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99469	0.6
59.01376	3.0
61.98831	44.9
66.27771	0.7
71.01397	1.0
71.62386	1.0
71.62711	0.8
73.02961	1.6
96.96050	1.1
112.48624	0.7
131.03557	4.0
178.37476	0.8
187.60271	0.8
239.11606	0.8
277.21713	100.0
278.22089	10.4
293.34012	0.7
300.25552	0.9
409.26010	10.8
410.26498	1.8
472.35104	1.9
473.30396	3.6
473.35907	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33622	0.2
57.03505	2.7
59.01114	0.3
59.01437	4.4
65.00375	0.2
67.01955	0.2
71.01391	1.6
72.99352	0.2
73.03011	0.5
75.00939	0.8
79.95807	0.8
80.30496	0.2
80.96566	0.3
81.03461	2.4
83.01392	1.9
85.02956	1.6
87.00883	1.1
88.94089	0.2
89.02518	0.6
93.03500	0.2
95.01472	0.2
95.05077	0.3
96.96024	9.2
97.02956	0.2
97.96011	0.2
98.19820	0.4
98.38146	0.2
98.95606	1.2
98.96545	0.2
99.00939	0.3
99.04511	0.9
101.02470	1.3
103.00450	0.5
107.01465	0.2
113.02501	0.8
119.03618	0.2
119.05040	0.9
120.01282	0.2
123.04542	21.8
124.04846	1.1
125.02463	5.7
126.02829	0.3
129.01974	0.3
137.02507	0.2
138.97168	0.2
143.03548	0.2
147.03049	0.2
149.02478	0.8
149.04607	0.4
151.00368	1.0
160.04066	0.8
161.04514	0.2
163.04048	0.4
164.98711	0.2
165.04044	1.3
167.03511	100.0
168.03847	5.1
173.11514	0.2
179.10925	0.2
191.03435	0.6
193.05003	0.2
209.04512	1.1
230.26646	0.2
241.00131	0.6
249.06013	0.6
267.06943	0.6
293.08701	0.2
311.07306	0.3
312.12320	0.4
329.08774	13.2
330.09213	1.3
341.08923	0.3
371.09799	4.5
372.09662	0.5
376.97244	0.2
382.94946	0.2
387.13315	3.5
388.13089	0.2
411.12292	0.8
413.21774	0.2
429.14178	2.2
430.14056	0.4
473.12311	6.3
473.29892	0.2
474.13013	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15024	0.6
55.01910	1.5
57.03453	6.6
58.00611	0.8
59.01378	34.4
61.98860	0.8
62.24417	0.6
67.01920	1.2
68.99861	1.6
69.03480	1.6
71.01383	30.8
72.99310	6.1
73.02991	2.6
75.00876	24.6
76.01231	0.7
83.01427	1.5
84.02231	0.8
85.02958	46.1
86.03331	1.2
87.00881	11.2
89.02454	9.3
90.06835	0.7
91.04046	1.0
93.03500	1.0
95.01407	7.7
95.01907	0.7
96.96020	12.9
98.19846	1.5
98.20539	3.4
99.00894	12.6
99.04568	1.2
101.02512	1.1
103.00374	3.3
111.00952	1.1
111.04539	1.1
112.01740	1.0
113.02460	43.7
114.02823	0.7
115.00448	2.6
117.01953	4.1
119.03600	0.6
128.85742	0.7
129.01945	4.9
131.03552	1.5
133.10306	1.9
135.03015	4.0
135.11800	5.4
136.12216	0.8
147.03030	1.9
157.01375	1.6
159.08197	1.2
161.09718	3.5
163.90276	0.7
175.02469	3.8
179.10785	14.3
179.12219	1.1
180.11145	1.1
189.04077	0.8
191.01970	5.6
197.11880	1.0
205.07112	1.9
207.05099	1.5
223.09758	1.5
231.05148	2.3
241.00288	1.2
249.06142	28.5
250.06573	1.9
267.07187	100.0
268.07471	4.8
297.13235	0.9
341.12332	1.1
343.76340	0.7
387.12842	0.9
429.11719	1.7
429.17627	39.2
430.17896	4.1
473.16434	75.1
474.16757	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1588
Annotation	Raloxifene
Peak:m/z	Relative Intensity
51.75085	0.6
54.48435	0.8
57.03440	3.2
59.01388	3.6
61.98820	3.6
66.01002	1.1
67.03024	4.3
68.02538	1.7
71.00996	1.7
71.01398	1.7
72.99315	0.7
79.95756	0.9
83.02530	1.1
85.02964	5.5
89.02458	0.9
92.05064	15.8
94.04105	1.1
96.96018	11.3
98.95637	1.3
99.04530	1.6
100.04096	0.7
101.02457	2.1
102.05634	5.5
106.04126	3.9
108.04568	1.9
109.02997	1.4
109.04098	2.7
111.03146	1.7
113.02505	0.7
117.04601	1.3
120.04542	2.0
120.99641	1.2
122.06155	0.8
125.02446	1.6
126.06753	5.5
128.03552	36.5
129.01947	1.3
129.03937	1.4
135.04549	4.2
135.05664	6.5
136.04059	7.7
138.05611	6.4
140.41748	0.8
146.04572	5.7
147.05675	5.7
148.04073	14.0
148.98473	0.7
149.04649	2.8
149.06073	2.1
151.06277	1.9
157.07785	1.0
161.02448	1.5
161.07158	1.0
163.06282	7.7
166.05107	20.0
177.05602	1.2
177.10347	7.8
178.10565	0.8
187.08748	1.8
189.05612	1.4
189.10313	4.6
191.02019	1.6
194.54443	0.7
203.08363	1.6
209.03145	1.5
214.09903	1.6
215.08211	2.1
221.04623	1.9
221.09282	9.7
229.10857	0.8
231.06590	1.6
233.09311	20.0
234.09666	2.0
241.00262	2.1
258.08914	1.7
273.09933	1.3
275.05630	0.9
275.11499	9.2
277.08337	1.0
300.11014	35.6
301.11273	3.8
305.08661	0.7
311.07785	1.9
343.11234	9.1
344.11905	1.1
360.16739	2.9
379.06934	0.7
385.16321	14.8
386.15738	2.1
393.08466	1.1
404.15756	38.0
405.16055	5.7
411.14243	5.3
412.14447	0.7
429.15244	11.5
430.15945	1.5
454.14807	4.0
471.34769	1.0
472.15891	100.0
473.16626	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12226	0.5
59.01379	10.3
61.98819	1.0
66.26635	0.5
69.55122	5.2
79.95747	0.7
85.02954	0.7
96.96017	2.0
188.80246	0.6
203.75452	0.5
248.84210	0.6
277.21716	100.0
278.22055	11.0
411.77841	0.6
471.26248	1.8
471.35104	4.4
472.34909	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24515	0.8
59.01374	2.6
59.14035	0.9
61.46704	1.0
61.98830	2.5
71.72916	1.1
71.73304	1.0
73.37135	1.0
78.95911	11.6
96.96958	1.7
114.73466	1.3
152.99612	17.0
153.04437	0.8
166.74762	0.9
193.63376	1.1
258.57983	1.0
277.21722	100.0
278.22061	10.5
332.36597	0.9
409.23502	8.8
471.34949	10.9
472.34735	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95325	0.2
57.03448	10.1
59.01383	2.8
61.98820	1.0
63.54674	0.2
63.63628	0.2
63.95842	0.2
71.01379	0.8
73.02927	0.3
75.00893	0.3
79.95724	0.2
81.03468	0.4
82.30189	0.2
83.01408	0.3
84.36635	0.2
85.02960	1.9
92.05079	0.7
94.03011	0.3
96.96018	4.3
96.96973	0.3
98.95591	0.5
99.04524	6.4
101.02440	2.9
108.04562	12.7
108.44598	0.2
109.04893	0.6
110.06116	0.3
113.02478	0.4
116.65732	0.2
120.04575	1.7
122.06149	2.6
125.02460	7.4
126.02815	0.3
135.04543	0.5
136.04048	3.3
138.05626	30.1
139.05968	0.7
143.03537	0.4
147.03017	0.3
152.03543	0.3
152.07242	0.2
160.04074	0.4
161.02448	0.4
161.04602	0.6
163.04056	0.3
164.03554	0.3
166.05107	100.0
167.05464	4.6
167.64949	0.2
169.50751	0.3
177.05605	0.4
190.05179	0.3
191.01936	0.6
203.05656	0.3
208.06160	0.5
209.03040	0.7
221.04640	0.4
221.06721	0.3
241.00305	0.4
305.08789	2.9
311.07718	0.7
328.10367	1.4
472.15137	3.2
473.13791	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18987	0.2
57.03429	0.2
59.01381	100.0
60.01702	1.2
61.98830	0.9
69.52926	2.2
71.01388	2.1
72.99317	0.2
73.02954	1.2
75.00890	0.3
79.95752	0.8
83.01424	0.4
85.02984	0.9
87.00895	0.4
88.04055	0.5
89.02465	0.7
95.01394	0.3
95.95267	0.4
96.96021	7.7
98.19838	0.4
98.95615	0.6
99.00915	0.3
101.02448	1.5
113.02471	1.7
129.01904	0.3
131.03590	0.3
143.03635	0.3
149.04524	0.3
150.97096	0.3
158.19398	0.2
161.04576	0.4
241.00323	0.6
246.47760	0.2
256.99753	0.3
427.16412	0.3
429.85165	0.3
471.09622	0.5
471.16766	0.3
471.22659	6.3
471.34409	0.5
472.18198	0.3
472.23837	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50652	2.0
54.27889	2.3
55.93649	1.6
57.03458	2.0
59.01383	29.6
61.98827	6.0
69.03432	2.5
71.01394	19.4
71.73409	3.7
71.73784	2.2
72.28884	1.7
72.99314	8.0
73.13681	2.5
81.03448	7.1
83.01385	8.9
85.02957	36.4
87.63421	2.3
89.02447	14.8
92.22960	1.8
94.02191	1.8
96.96014	20.2
97.02940	5.8
99.04538	5.1
101.02484	3.0
113.02480	3.1
113.09780	1.9
118.14242	1.8
125.02448	2.6
131.03517	27.0
141.09196	2.2
143.03499	6.7
161.04575	61.3
162.04950	2.6
179.05643	3.0
181.12262	2.2
203.07906	2.0
211.13316	3.8
235.17006	2.3
264.96735	1.9
291.19620	16.8
292.19955	2.2
309.20721	45.7
310.21207	4.5
312.89703	2.2
471.17688	8.5
471.25906	100.0
471.34549	15.3
472.18527	2.2
472.26181	13.9
472.35202	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	471.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83057	0.1
55.01881	0.3
57.03450	4.1
59.01379	100.0
60.01713	1.2
61.98843	0.9
68.02539	0.7
69.03458	0.5
71.01385	4.1
71.05019	1.1
71.73091	0.3
72.99324	0.4
73.02951	1.5
75.00879	0.8
78.37766	0.1
78.95919	0.2
79.95753	0.5
83.01395	0.7
83.05029	0.2
85.02957	2.5
87.00890	0.5
88.04057	0.5
89.02454	1.1
93.03451	0.2
95.01398	0.6
95.05057	0.4
96.96023	8.5
97.02971	0.3
98.95605	1.9
98.96433	0.4
99.00907	0.6
101.02459	1.9
103.00394	0.3
109.02974	0.4
109.06595	0.4
113.02473	2.4
115.00380	0.2
119.03461	0.2
119.05003	0.6
121.02941	0.2
121.06564	0.2
123.04538	0.2
123.08212	0.2
125.02441	0.3
126.99588	3.7
129.02000	0.2
130.28688	0.2
131.03513	0.2
132.03069	0.2
135.03009	0.8
135.04547	0.2
137.02402	0.2
137.09741	1.0
138.97090	0.2
139.03928	0.2
139.07645	0.3
140.96672	0.2
143.03464	0.3
143.04991	0.5
145.02971	0.7
149.09756	0.2
161.04576	0.9
161.13376	0.2
163.03984	0.4
166.05154	0.2
177.01967	0.3
177.12810	0.3
179.05626	0.4
179.10803	0.9
189.01900	0.5
190.02840	0.2
191.02003	0.2
192.11581	2.0
203.05605	0.8
205.12363	0.8
205.15971	0.3
207.13918	20.7
208.12776	0.1
208.14276	1.6
217.01384	0.5
221.11748	0.4
241.00267	1.1
249.06210	1.2
249.11191	0.2
249.14999	1.0
267.07184	1.5
283.01221	0.2
289.07135	0.4
301.30225	0.1
309.13647	0.2
309.17361	0.2
341.06689	1.2
367.17807	0.2
385.06055	1.2
411.19937	0.7
427.07050	0.9
428.64273	0.2
429.20877	0.5
435.10843	1.1
436.11163	0.2
463.34344	0.2
471.05685	0.6
471.17383	8.0
471.34351	0.3
472.18033	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83436	0.3
57.03442	1.6
59.01377	100.0
60.01715	1.0
61.98836	1.2
69.39581	1.6
69.40005	2.1
71.01395	1.4
73.02953	0.8
75.00836	0.4
79.95751	0.8
82.09029	0.3
83.01400	0.6
85.02952	5.7
95.95264	0.5
96.96017	11.2
98.19875	0.8
98.95595	0.3
101.02433	0.5
109.04044	0.4
111.00889	0.9
113.02390	0.4
115.59888	0.4
120.51738	0.3
122.97525	0.3
123.02831	0.4
129.01950	1.7
138.97113	0.6
147.03018	0.5
153.48354	0.3
168.77843	0.3
191.02043	1.1
203.05573	0.5
205.03525	0.9
207.13911	4.7
208.14200	0.5
241.00313	0.4
255.51163	0.3
256.99756	0.9
265.18192	0.4
471.22635	9.6
471.34982	1.0
472.23322	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12012	0.2
50.67599	0.2
55.01890	0.4
57.03453	0.5
59.01382	100.0
60.01712	1.0
61.98848	0.3
69.03471	0.7
71.01389	4.4
71.72942	0.4
71.73359	0.4
72.99294	0.3
73.02952	4.3
75.00891	0.5
77.38608	0.3
81.03515	0.3
83.01401	1.3
85.02951	1.6
87.00903	0.3
89.02454	1.7
89.06056	0.2
93.03509	0.3
96.96027	6.8
97.22188	0.2
98.95615	0.8
99.00870	0.3
99.04520	0.3
101.02459	4.2
113.02472	2.5
119.03539	0.5
119.05039	1.3
123.04562	0.7
125.02474	0.6
131.03542	0.5
143.03612	0.5
145.02972	0.4
147.11841	0.3
148.08926	0.2
149.04605	0.4
161.04602	1.2
161.13399	1.1
163.04070	1.0
167.03513	2.2
185.00984	0.3
185.09850	0.3
185.13416	0.5
187.11316	3.6
188.11719	0.3
201.12944	0.2
203.05814	0.2
203.14496	0.8
205.12355	3.3
206.12726	0.4
214.84569	0.2
229.12350	2.2
241.00264	0.6
247.13466	1.0
249.11337	1.1
259.13370	0.4
273.07706	3.3
277.14542	0.3
307.08377	0.4
309.13379	1.4
351.14462	0.3
411.16370	1.3
412.17075	0.4
433.10767	0.4
435.12985	0.4
471.18533	5.2
472.18835	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.3
57.03445	0.5
59.01381	3.7
61.98827	0.6
64.68160	0.3
69.47017	3.4
69.47369	0.6
71.01373	2.0
72.99350	0.3
73.02939	0.6
75.00869	0.5
79.95743	3.2
80.96524	1.3
85.02954	1.8
87.00873	0.5
89.02452	0.7
95.95251	2.0
96.96021	71.8
98.19795	0.4
98.53969	0.3
98.95622	1.8
99.00870	0.6
100.12555	0.3
101.02447	0.9
111.65392	0.3
113.02474	0.9
122.97598	0.9
123.27409	0.3
135.13000	0.3
138.97054	2.0
150.97113	1.4
179.05667	0.5
180.98126	0.7
197.27301	0.3
198.99197	1.0
241.00198	3.2
243.16139	0.3
245.04155	0.3
248.86497	0.3
249.06192	0.5
256.99649	0.5
267.07236	0.4
275.01688	0.3
291.50897	0.3
327.11172	0.6
391.19720	1.0
471.19037	100.0
472.19385	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	471.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19545	0.2
57.03432	0.8
59.01375	3.2
61.98819	0.3
65.66035	0.2
69.72586	0.5
69.72998	1.2
71.01386	2.6
72.99300	0.3
73.02946	0.6
79.95741	2.6
80.96524	2.3
83.01380	0.4
83.05034	0.6
85.02957	1.9
87.00871	0.4
88.04042	0.6
89.02455	0.6
95.01423	0.3
95.95216	0.5
96.96018	57.2
97.02944	0.3
97.95917	0.5
98.95602	5.1
98.96346	0.4
98.96469	0.5
101.02458	1.9
103.00390	0.2
113.02459	0.5
115.00374	0.6
119.04998	0.2
122.97604	0.6
126.05626	0.6
127.45573	0.2
129.03494	0.5
132.03023	0.3
134.03719	0.5
137.26147	0.2
138.97072	1.6
143.10870	0.5
143.70905	0.2
144.06680	0.3
147.04523	2.3
149.06128	0.4
150.97063	1.1
152.98593	0.3
161.04651	0.3
164.98680	0.8
165.05577	4.2
166.70947	0.3
168.98096	0.3
180.84941	0.2
180.98207	0.5
191.01970	0.2
193.05052	0.5
198.99229	0.7
223.06200	0.4
225.00830	0.5
241.00247	3.1
242.00485	0.3
269.31161	0.2
279.14584	0.7
327.10956	0.9
369.12033	0.4
385.11743	1.8
400.57950	0.3
409.14294	0.3
411.18970	0.9
427.12918	1.0
428.12967	0.2
465.82037	0.3
471.19025	100.0
472.19400	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.3
57.03447	0.5
58.00616	0.3
59.01376	7.0
59.18452	0.2
59.20187	0.2
59.73278	0.2
61.57766	0.2
61.98816	0.6
69.03487	0.3
71.01389	2.9
71.03657	0.2
71.03973	0.6
71.86145	0.2
72.99316	0.5
73.02952	3.4
75.00876	0.5
79.95744	3.3
80.96508	1.6
81.95329	0.6
82.57055	0.2
83.01392	1.1
83.05022	1.0
85.02964	2.0
87.00885	0.5
89.02456	1.2
92.92829	0.2
95.95235	1.1
96.96020	71.6
97.02937	0.3
97.94811	1.0
97.95948	0.3
98.95598	6.6
98.96421	1.3
101.02459	3.1
103.00384	0.3
104.21210	0.3
111.00896	0.3
113.02472	1.5
122.97591	0.9
125.02470	0.4
129.01938	0.3
138.97079	1.9
143.03528	0.2
147.03041	0.3
149.04536	0.4
150.97060	0.9
152.98714	0.2
153.01968	0.3
161.04562	0.8
164.98605	0.7
177.04022	0.4
180.98169	0.5
182.42752	0.3
191.01909	0.5
198.99161	0.8
241.00223	3.5
242.00562	0.4
243.00011	0.5
253.07387	0.4
275.25943	0.2
297.10107	0.3
358.11032	0.2
385.11917	3.8
386.11700	0.4
391.19669	0.6
427.12674	1.5
471.18771	100.0
472.19165	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	471.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96998	0.2
55.01878	0.3
57.03422	0.2
59.01381	3.0
66.46185	0.2
69.03443	0.2
69.38593	0.2
71.01380	1.8
71.50212	0.3
73.02932	1.2
74.47447	0.2
76.90262	0.2
79.95737	2.9
80.96513	1.3
83.01386	0.6
85.02958	1.2
87.00848	0.2
89.02469	0.2
95.01431	0.2
95.95238	1.7
96.96021	64.6
97.02945	0.2
97.95948	0.3
98.95601	2.6
98.96459	0.3
101.02464	1.4
113.02470	0.5
121.03032	0.3
122.97575	0.9
124.58699	0.2
129.01971	0.2
134.29353	0.2
138.97083	2.2
140.93814	0.2
150.97099	0.9
151.00407	0.6
160.00847	0.2
164.98650	0.5
165.99574	0.2
168.98148	0.2
177.04044	0.7
178.99899	0.6
180.63257	0.2
180.98143	0.6
187.03973	0.2
198.99191	0.7
199.13458	0.7
205.12375	0.3
225.00848	0.3
227.03523	0.2
230.85469	0.2
241.00255	3.8
243.02942	0.3
255.03076	1.3
256.03546	0.2
256.99731	0.7
259.01273	0.2
267.07263	0.3
271.02408	2.9
272.02969	0.2
300.02777	4.5
301.03488	3.8
302.03687	0.8
303.03983	0.2
375.77585	0.2
385.11966	0.3
391.19733	0.3
433.07758	6.0
434.08118	0.8
435.02795	0.2
435.08011	1.0
471.18982	100.0
472.19363	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	471.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.1
59.01378	31.0
60.01692	0.5
61.60930	0.2
61.80053	0.2
61.98817	0.9
67.47575	0.2
68.02539	0.9
69.03457	0.7
70.88814	0.7
71.01385	7.4
71.05021	3.3
72.99326	0.4
73.02949	4.7
75.00869	1.7
79.95742	0.5
83.01388	1.4
85.02961	4.1
87.00913	0.9
89.02448	2.4
93.03485	0.4
95.01443	0.6
95.95250	0.4
96.96021	7.7
97.02937	0.4
98.95595	1.3
99.00878	1.4
101.02455	4.7
102.02845	0.2
103.00392	0.2
113.02468	3.6
115.00414	0.4
117.03481	22.7
118.03785	1.1
119.03593	0.8
119.05042	12.5
120.01314	0.3
120.05418	0.7
121.03041	0.4
125.02493	0.4
126.99586	1.8
129.01996	0.4
131.03590	0.4
131.05048	0.3
132.05881	0.4
133.06616	1.3
135.03070	0.8
135.11842	0.4
138.97130	0.4
139.04054	0.3
143.03596	0.3
145.02969	100.0
146.03302	4.8
147.04588	0.3
147.11957	0.3
149.04675	0.2
150.17482	0.2
159.04626	0.7
161.04720	0.7
161.06229	3.3
163.04028	14.6
164.04532	0.7
166.05183	0.5
177.05760	1.0
179.10786	2.2
187.04033	4.5
188.04596	0.3
205.05087	2.7
205.12491	0.5
207.13902	2.5
217.05260	0.4
221.11832	1.8
229.05196	0.4
231.14157	0.2
235.06206	2.1
235.58011	0.3
241.00459	0.5
247.06361	0.3
249.06129	2.0
249.14992	1.5
265.07147	4.4
266.07922	0.3
267.07214	2.7
307.08224	12.4
308.08676	1.3
309.08002	0.4
323.19125	0.4
325.09836	1.9
351.09061	0.5
354.95242	0.2
381.10229	0.4
411.10989	1.6
412.71506	0.2
427.20551	0.6
429.21738	0.3
471.13605	6.4
471.17877	2.1
471.23648	11.3
472.14200	0.9
472.23926	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.098
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72151	0.1
57.03426	0.3
58.59398	0.1
59.01384	1.4
60.36941	0.1
61.98827	0.8
66.28074	0.1
69.56954	0.4
69.57368	1.2
71.01376	1.3
71.28007	0.1
72.99295	0.2
73.02958	0.3
78.95893	0.2
79.95744	5.6
80.96522	0.7
81.00567	0.2
81.95332	0.8
82.96095	0.4
85.02956	1.3
87.00888	0.3
89.02454	0.4
95.95270	1.0
96.96021	100.0
97.94817	0.5
97.95986	0.9
98.20668	0.4
98.95607	17.0
98.96429	2.6
101.02480	0.8
103.00372	0.2
104.63589	0.2
109.92113	0.2
110.97601	0.3
113.02416	0.3
116.92810	0.2
122.97591	0.3
123.04551	0.2
129.01942	0.2
134.03751	0.4
137.02477	0.6
138.97098	0.8
140.96663	0.6
150.97105	0.5
160.04031	0.4
161.04489	0.2
164.98657	0.2
165.05594	0.3
166.98207	0.2
174.51685	0.2
177.03943	0.2
178.02696	0.2
180.98151	0.4
191.01907	0.2
193.05077	1.0
196.03926	0.2
198.99176	0.3
204.99933	0.2
219.06581	0.2
226.06836	0.2
235.79008	0.2
240.04300	0.7
241.00188	1.2
242.00529	0.5
242.99805	1.1
255.06522	0.2
256.99710	0.2
258.99570	0.2
270.08881	0.2
283.06128	0.6
287.02856	0.2
290.42218	0.2
298.08453	0.6
313.10910	0.3
337.06137	0.3
381.10602	0.3
385.11816	1.1
396.14114	0.6
397.13849	2.1
410.85312	0.2
427.12839	0.4
470.17780	9.5
471.09811	30.6
471.17795	64.5
472.10132	4.1
472.17993	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	470.276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	13.5
60.53002	0.5
61.98829	5.9
62.99358	0.4
71.01389	16.9
71.05030	1.1
71.26561	0.9
71.26902	0.6
72.01723	0.6
73.02948	0.7
75.00899	0.7
79.95750	1.5
83.01404	0.6
84.40359	0.5
85.02958	1.9
87.00877	0.7
87.04527	1.7
88.04053	77.6
89.02477	1.1
89.03851	0.5
89.04385	1.6
95.95245	0.8
96.96024	19.0
96.99316	0.6
98.95609	1.3
98.96428	0.6
99.00864	0.7
99.47805	0.5
101.02460	1.9
113.02464	1.3
114.01971	1.3
115.00390	15.1
116.00725	0.5
119.42466	0.5
120.77698	0.5
120.98717	0.4
132.03047	35.0
133.03368	0.5
135.04474	0.8
135.11853	1.1
141.12819	0.8
169.12161	0.6
177.01936	1.3
179.06831	0.5
179.10622	0.6
241.00258	5.4
256.99774	1.0
283.01233	0.8
311.25964	0.6
321.63449	0.5
335.83505	0.5
354.26617	2.2
355.24875	6.8
356.25159	0.9
385.11887	1.1
426.28583	3.0
427.12662	1.5
427.29245	0.5
445.51971	0.5
469.65012	0.5
470.21722	5.4
470.27579	100.0
471.11945	1.3
471.22055	2.0
471.28088	15.9
471.34738	0.6
472.83664	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.2
59.01382	1.6
61.98838	0.8
67.26212	0.1
71.01393	1.1
71.72313	0.2
72.99322	0.3
73.02953	0.6
78.95902	0.3
79.95266	0.3
79.95747	5.7
80.96532	0.7
81.95321	0.5
82.96112	0.4
83.01402	0.4
84.95117	0.2
85.02953	1.3
86.02565	0.2
87.00892	0.3
89.02448	0.3
95.95242	0.7
96.96024	100.0
97.94816	0.6
97.95985	0.9
98.95606	14.9
98.96437	2.8
99.00919	0.2
101.02467	0.7
103.00420	0.4
110.97608	0.5
113.02486	0.5
116.05088	0.2
116.92867	0.2
122.97607	0.3
124.97146	0.2
129.01958	0.2
134.03751	0.6
137.02473	0.6
138.97092	0.8
140.96646	0.4
147.02940	0.2
149.06035	0.3
150.03285	0.2
150.97083	0.4
151.04042	0.3
152.96671	0.3
160.04062	2.3
161.04436	0.2
163.04120	0.2
164.98656	0.4
165.05556	0.2
171.42297	0.1
174.76070	0.2
177.04070	0.2
177.05605	0.2
178.02757	0.3
180.98131	0.3
185.47945	0.1
191.02101	0.2
193.05080	1.5
198.99251	0.3
200.98779	0.2
240.04362	0.7
241.00244	1.5
241.05045	0.2
242.00699	0.4
242.05759	0.2
242.99915	1.1
255.06602	0.2
256.99680	0.2
258.99420	0.2
283.06110	0.5
291.11215	0.2
298.08456	0.7
299.09384	0.2
313.10764	0.3
337.06165	0.2
381.10666	0.4
385.11734	2.6
396.14075	0.6
397.13824	1.7
427.12738	1.0
470.17856	6.6
471.09808	27.6
471.17807	60.1
472.10153	3.8
472.18112	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	470.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15824	0.6
55.01862	1.1
56.21384	0.6
57.03436	0.8
58.00579	1.8
59.01378	40.1
60.01715	0.8
71.01385	29.6
71.05077	1.4
72.01719	0.9
72.99312	2.6
73.02955	1.5
75.00865	0.7
83.01389	2.0
85.02962	4.8
87.00875	1.7
89.02449	40.7
90.02753	1.0
95.01398	1.8
96.96019	0.9
99.00881	1.8
101.02457	14.1
102.02776	0.7
111.00889	2.2
112.98829	4.5
113.02466	13.7
113.99174	1.3
119.03512	13.8
120.01270	0.6
125.02522	0.8
128.03566	11.0
128.07191	21.6
129.01949	0.9
129.07562	0.7
131.03534	2.3
142.99870	1.1
143.03481	3.5
143.84163	0.7
144.06633	0.9
145.01408	2.8
146.01750	0.9
161.04543	3.3
173.00906	1.2
179.04126	1.2
179.05624	17.8
210.96323	0.6
263.05746	1.0
264.06198	0.7
297.11899	2.2
341.10898	100.0
342.11124	6.9
470.10306	5.4
471.10709	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.5
57.03448	1.8
58.00598	1.7
59.01379	37.7
60.01712	0.7
67.54971	0.2
69.37991	0.2
71.01387	33.7
71.71764	0.3
72.01727	0.8
72.99313	2.6
73.02960	1.1
75.00877	0.7
78.95919	0.2
79.95758	0.3
81.03500	0.2
82.26512	0.2
82.96295	0.2
83.01399	1.6
83.64081	0.2
84.01717	0.2
85.02959	12.5
86.03312	1.1
87.00889	2.0
89.02453	41.6
90.02796	0.9
93.03448	0.3
95.01396	1.8
96.96021	8.1
96.96983	0.3
97.02967	0.2
97.95966	0.2
98.95606	0.9
99.00895	1.0
99.04510	0.3
101.02456	18.9
102.02801	0.5
103.00385	0.5
111.00912	1.5
112.98846	1.1
113.02465	13.2
114.02802	0.5
115.00400	0.5
115.04018	0.4
119.03521	14.3
120.01261	0.5
120.03878	0.3
123.64134	0.2
125.02453	0.6
128.03557	14.1
128.07195	22.9
129.01944	1.6
129.03883	0.4
129.07535	0.8
131.03522	2.7
133.01442	0.4
143.03526	3.4
144.06667	0.8
145.01430	0.8
145.06670	0.2
147.03003	1.2
149.04562	2.6
161.04584	4.3
173.00916	0.6
173.04802	0.2
173.06021	1.2
179.05626	18.0
180.05991	0.9
191.02017	3.5
191.05614	0.6
192.02385	0.3
209.01041	0.3
209.03026	6.4
210.03368	2.1
211.03452	0.6
217.05070	1.2
232.03409	0.3
235.06122	0.4
241.00148	0.3
253.89984	0.5
263.05737	0.3
264.06149	0.4
278.20090	0.2
296.90686	0.4
321.08173	0.3
341.10892	100.0
342.11227	8.1
372.06503	0.6
388.44449	0.2
393.10342	0.3
411.11212	0.3
470.10477	2.1
470.17105	1.7
471.09537	1.6
471.14957	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2812
Annotation	Dendronpholide N
Peak:m/z	Relative Intensity
53.16933	1.3
57.03445	7.4
59.01367	5.8
61.98825	2.9
68.99805	1.8
69.03460	9.3
71.01377	13.0
71.43506	1.6
71.43828	1.6
72.99300	9.6
73.02951	1.9
78.95895	2.2
83.01389	4.7
84.02173	1.4
85.02959	36.6
86.00085	1.7
87.00884	8.9
87.04500	3.9
96.95960	1.7
97.02962	12.2
99.00900	6.1
111.00871	4.6
113.02444	2.4
115.04028	6.4
116.87410	1.4
127.42053	1.2
129.01956	18.8
141.01953	7.3
152.99614	3.8
159.02994	4.3
191.05646	21.6
209.06700	2.6
230.21492	1.2
241.21638	2.4
277.21725	88.9
278.22049	10.2
345.24243	4.2
378.20551	1.3
419.24222	2.6
434.24136	1.4
469.27997	100.0
469.33023	5.7
470.28378	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14599	0.2
57.03455	0.3
58.00595	0.4
59.01377	10.3
69.80813	1.4
69.81220	0.3
70.16020	0.2
71.01382	8.4
72.01713	0.4
72.99314	0.7
77.88232	0.2
79.95755	0.2
82.02988	0.5
83.01388	0.4
85.02952	1.3
87.00879	0.6
89.02450	10.3
94.67358	0.2
95.01382	0.5
96.96024	0.7
98.19955	0.3
99.00893	0.5
101.02451	4.1
111.00926	0.3
112.98822	0.5
113.02467	3.4
115.00374	0.2
119.03518	3.7
128.03554	100.0
128.07179	5.3
129.01955	0.4
129.03900	2.9
131.03496	0.7
143.03529	1.0
144.06790	0.4
145.01404	0.7
146.01776	0.4
149.04616	0.5
161.04576	1.0
179.05618	4.5
263.05750	0.3
341.10889	25.4
342.11252	2.0
384.25497	0.2
443.69775	0.2
470.09738	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	469.175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95370	0.3
59.01381	1.9
62.35044	0.2
69.46528	2.5
71.01389	0.9
73.02969	0.5
74.88696	0.2
77.80460	0.2
79.95746	2.5
80.96528	0.8
83.01402	0.4
85.02954	1.0
95.95315	0.4
96.96022	55.7
97.95952	0.4
98.20644	0.4
98.95611	0.8
101.02455	0.7
122.97598	0.2
138.97052	0.5
149.06055	0.2
150.97037	0.6
152.98566	0.3
171.24678	0.2
180.98085	1.4
208.74208	0.3
227.03523	2.7
228.03833	0.6
229.04979	0.5
241.00200	3.1
255.02985	4.5
256.03479	1.1
257.04306	0.4
267.09058	0.5
284.03265	6.2
285.04019	7.3
286.04138	1.5
287.04468	0.5
406.88412	0.2
423.15009	0.2
431.09824	10.4
432.10211	1.6
433.10648	1.2
469.17438	100.0
470.17758	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32113	0.2
57.03448	0.5
57.65759	0.2
59.01091	0.4
59.01375	6.8
60.01696	0.2
61.98820	1.0
65.95295	0.2
69.57941	1.8
69.97044	0.2
71.01392	1.9
72.99313	0.4
73.02940	1.1
75.00889	0.3
75.43510	0.2
78.95896	0.2
79.95746	2.4
80.96516	1.2
83.01376	0.5
85.02959	1.1
87.00901	0.3
88.04047	0.3
89.02450	0.6
95.01414	0.4
95.95254	0.5
96.96021	64.9
97.95996	0.2
98.19986	0.7
98.20654	0.4
98.95593	0.9
101.02444	1.4
109.02923	0.2
110.95463	0.2
113.02458	1.2
115.00370	0.2
119.05040	0.3
122.97598	0.9
125.02467	0.2
138.97078	2.2
150.97076	1.0
164.82626	0.2
164.98682	0.3
180.98126	0.8
185.00906	0.3
198.99216	0.6
205.12318	0.2
214.24896	0.2
217.14479	0.5
241.00223	3.8
261.40741	0.3
455.72467	0.2
469.17413	100.0
470.17761	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	469.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.1
71.01379	0.8
71.73451	0.3
71.73839	0.1
72.99313	0.3
73.02962	0.2
79.95737	1.2
80.96523	1.0
84.55943	0.1
85.02948	0.5
85.91376	0.2
87.00840	0.2
93.96729	0.2
95.95234	0.3
96.96024	41.9
97.95981	0.2
98.95583	0.3
101.02457	0.6
113.02457	0.2
122.97586	0.5
138.97093	1.2
150.97119	0.8
164.98561	0.3
168.98170	0.2
177.10928	0.2
180.98163	0.7
198.99194	0.6
213.10092	0.1
241.00145	1.7
242.00778	0.2
269.17780	0.2
271.02457	0.2
300.02707	0.5
300.75323	0.2
301.03656	0.2
404.81335	0.2
433.07596	0.4
469.17462	100.0
470.17786	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	469.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70317	0.2
54.78700	0.2
57.48647	0.2
59.01380	1.0
60.76046	0.2
61.34328	0.2
61.56837	0.2
70.26223	0.4
70.26620	0.4
71.01392	1.0
79.95744	2.0
80.96548	0.8
82.05191	0.2
85.02959	0.5
87.00921	0.2
94.63122	0.2
95.95237	1.7
96.96022	43.2
98.95585	0.3
101.02443	0.6
122.97619	0.7
138.97081	1.6
150.97116	0.9
164.98697	0.3
177.04085	0.6
180.98189	0.4
198.99193	0.6
225.00815	0.2
241.00230	2.9
256.99716	0.6
273.77100	0.2
285.02805	0.3
301.73459	0.2
379.10568	1.0
393.12244	0.5
395.13840	4.4
396.14178	0.3
437.14951	0.3
469.17471	100.0
470.17801	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.7
61.99756	0.3
63.56352	0.3
70.49180	1.2
71.01389	1.1
74.31251	0.4
79.95743	3.0
80.96534	1.2
82.11070	0.4
85.02960	0.7
89.02499	0.5
90.20544	0.3
95.95238	2.3
96.96021	52.2
101.02474	0.7
110.97565	0.4
113.02499	0.7
114.85369	0.4
122.97572	0.5
126.96031	0.3
138.97119	1.7
150.97096	1.1
177.04068	0.5
180.98143	1.0
198.99200	1.2
222.99010	0.4
241.00223	3.6
251.28493	0.4
256.99753	0.9
259.01172	0.4
439.10651	0.4
451.16595	0.6
469.17471	100.0
470.17816	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	469.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78544	0.2
59.01369	1.0
66.45761	0.2
71.01387	0.7
71.15720	0.5
72.99297	0.2
79.95746	3.3
80.96523	0.9
81.95349	0.3
82.13238	0.2
85.02957	0.5
89.02445	0.2
95.95249	1.6
96.96020	57.1
97.95953	0.3
98.95609	1.7
98.96441	0.6
101.02457	1.1
110.39838	0.2
122.97590	0.6
133.96201	0.2
138.97087	1.5
140.61234	0.2
150.97110	1.1
152.98660	0.4
164.98601	0.2
167.12752	0.2
177.04082	0.3
180.98172	1.2
198.99141	0.5
241.00212	4.4
254.51483	0.2
256.99756	0.7
259.01181	0.4
299.04413	0.2
336.20135	0.2
383.10043	0.5
395.13876	0.4
437.14746	1.0
469.17438	100.0
470.17807	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	469.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.0
71.01376	0.7
71.15364	0.5
71.15711	0.2
72.99328	0.3
73.02964	0.3
77.15965	0.2
78.59925	0.2
79.95747	2.0
80.96528	0.9
84.21291	0.2
85.02960	0.4
86.03791	0.2
89.02492	0.2
95.95247	1.8
96.96021	46.3
98.95620	0.3
101.02438	0.6
113.02496	0.2
115.98237	0.2
118.61849	0.2
122.97601	0.7
138.97076	1.6
150.97061	1.0
152.98630	0.2
154.03093	0.2
164.98611	0.4
177.04079	0.5
180.98132	0.8
198.99182	0.8
213.00856	0.2
225.00681	0.2
241.00200	3.4
256.99768	0.8
285.02869	0.3
289.11215	0.2
379.10928	1.0
395.13831	4.2
396.14160	0.6
437.14618	0.3
451.16376	0.2
469.17474	100.0
470.17819	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	469.1174
Annotation	Shogasulfonic acid D
Peak:m/z	Relative Intensity
59.01385	1.1
64.16856	0.2
71.03937	0.6
71.53520	0.2
79.95746	7.6
85.02957	0.4
85.81983	0.2
95.95274	0.3
96.96021	100.0
97.95950	0.4
98.95607	0.4
103.44211	0.2
110.97556	1.1
116.31156	0.2
138.03235	0.2
153.87875	0.2
155.10785	0.5
167.03542	0.6
181.05078	0.4
241.00235	0.4
270.09094	0.3
285.11337	0.3
299.09268	0.6
314.08041	1.2
329.10345	1.7
336.20187	0.2
344.12573	2.6
469.11703	40.8
469.17514	5.2
470.11942	6.5
470.17520	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	469.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.5
59.01378	1.4
61.98836	0.6
67.39982	0.2
71.01382	2.3
71.03585	0.3
71.03931	0.6
72.99314	0.5
73.02945	0.6
75.00840	0.3
79.95741	3.9
80.96526	2.2
83.01411	0.3
85.02960	5.9
87.00890	0.7
89.02480	0.6
91.80191	0.2
93.60198	0.2
95.95260	1.7
96.96021	100.0
97.95966	0.5
98.95573	0.3
99.00880	0.4
99.92641	0.2
101.02445	0.9
108.74757	0.2
110.97603	1.1
111.00930	0.3
113.02471	0.5
115.92102	0.5
116.92883	0.3
122.97620	0.4
125.02471	0.3
129.01942	0.9
133.01410	0.4
137.02528	0.3
138.97083	6.0
148.05275	0.2
150.97072	0.9
163.07610	0.3
164.98671	0.8
168.98132	0.6
180.98109	0.7
191.01982	2.8
209.03032	10.9
210.03412	0.4
212.06917	0.4
222.99159	1.5
225.00714	0.6
227.09280	0.4
241.00238	20.6
242.00562	0.8
242.96109	0.3
252.67700	0.2
338.82593	0.2
371.06110	1.7
469.10223	46.8
469.17239	3.4
470.10507	5.6
470.17523	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89238	0.2
55.01876	0.3
57.03436	0.7
58.24813	0.3
59.01374	2.2
61.98822	1.1
69.03474	0.2
71.01382	3.0
71.71276	0.3
72.99312	0.9
73.02966	0.7
75.00878	0.6
79.95744	4.2
80.96525	2.5
83.01398	0.8
84.02161	0.3
84.94636	0.2
85.02959	7.8
85.28329	0.3
86.03298	0.2
87.00883	1.2
87.04609	0.2
89.02448	0.9
95.95246	1.4
96.96023	100.0
97.95941	0.6
98.95611	1.0
99.00899	0.9
99.84447	0.3
99.92538	0.3
101.02469	1.5
110.97599	1.0
111.00893	0.8
112.98833	0.9
113.02442	0.7
115.00395	0.3
115.92108	0.7
116.92887	0.3
120.01226	0.3
121.49473	0.2
125.02476	0.4
128.03586	0.3
129.01962	0.7
133.01437	0.5
135.04581	0.5
138.97095	6.1
143.03561	0.4
145.01457	0.8
145.03078	0.4
147.03000	0.4
149.02512	0.3
149.04524	0.3
150.97076	1.2
159.03024	0.3
164.04872	0.6
164.98633	1.0
168.98195	0.6
179.07159	0.6
180.98135	0.7
191.02007	2.9
199.62323	0.3
205.26396	0.2
209.03038	12.5
210.03432	0.5
222.99207	1.4
225.00720	0.5
241.00249	26.9
242.00430	1.3
260.03522	0.2
263.05862	1.0
341.10703	0.6
365.09167	0.7
371.06226	2.0
469.10294	50.7
469.17392	7.8
470.10684	5.9
470.17441	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1006
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.4
57.03447	9.9
58.00583	1.5
59.01095	1.9
59.01379	34.4
68.99825	5.0
69.83363	5.5
69.83787	4.4
71.01385	35.6
72.99319	11.6
73.02952	3.8
75.00875	5.2
75.02596	2.7
79.95763	1.8
80.96471	1.2
83.01396	12.2
84.02208	2.3
85.01031	4.2
85.02959	62.6
86.03284	1.8
87.00887	7.6
88.98827	2.5
89.02451	23.1
96.96019	44.9
98.95599	4.5
99.00897	17.2
100.98830	1.8
101.02448	14.1
103.00372	4.0
111.00900	19.0
112.98057	2.9
112.98823	40.8
113.00513	2.5
113.02473	8.6
114.98466	2.9
115.00383	6.0
115.02047	1.8
117.01964	5.1
119.03548	6.5
127.00417	1.8
128.03558	58.5
128.07198	10.7
129.01942	13.4
131.03510	1.6
133.01448	3.8
135.04512	2.6
138.97029	1.7
142.99875	6.7
143.01593	4.6
143.03503	4.0
145.01442	41.1
145.03125	1.9
146.01781	1.7
147.03036	4.3
149.04546	2.7
154.99957	2.1
157.01462	3.3
159.02954	1.4
161.04562	2.6
165.73820	1.4
171.01086	5.7
173.00970	9.6
179.05627	9.3
187.02428	1.8
191.01984	22.5
199.00615	1.9
203.03712	2.0
205.03522	3.3
209.03036	100.0
210.03371	3.8
217.05339	1.7
231.03207	7.9
241.00143	7.2
245.04799	2.0
263.05789	30.3
341.10898	55.4
365.09021	4.2
371.06213	15.3
383.04788	3.1
391.07095	2.0
393.08777	2.0
409.08005	2.6
425.05521	2.0
425.10938	2.2
437.07388	2.4
451.08981	4.7
469.10165	79.1
469.17426	10.7
470.10361	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	469.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	5.6
57.57094	0.5
59.01375	4.5
61.98819	1.1
68.99801	0.7
69.93108	3.2
70.00547	0.5
71.01381	5.4
72.99312	1.6
75.00879	1.5
79.95745	2.3
80.96490	0.9
83.01410	1.4
84.02170	1.2
85.02958	49.5
86.03284	1.4
87.00882	1.4
88.04058	0.6
89.02450	2.2
95.95264	0.5
96.96021	87.6
98.95603	0.7
99.00892	0.7
99.92590	0.6
101.02457	0.8
103.00367	0.8
106.15760	0.5
111.00882	2.0
115.00368	1.2
115.92103	0.6
118.37271	0.5
129.01950	4.6
133.01457	3.3
135.04556	2.6
138.97054	0.9
146.08304	0.9
147.03017	3.6
163.07591	0.5
169.73950	0.5
173.00883	1.5
179.03534	1.0
189.30829	0.5
191.01994	22.0
192.02328	0.7
209.03035	100.0
210.03363	3.3
210.66646	0.5
241.00238	3.7
242.99832	0.6
249.06140	1.0
254.84512	0.6
283.01578	0.7
353.05347	0.9
371.06223	19.2
372.06638	2.0
383.04300	0.9
395.51657	0.5
425.05316	0.9
468.17169	1.7
469.04984	0.6
469.10263	4.9
469.17422	11.6
470.11185	0.7
470.17804	1.2
473.27191	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.081
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14123	0.2
59.01379	1.2
59.50059	0.1
60.48874	0.1
63.65981	0.1
63.92398	0.2
69.95321	0.3
69.95734	0.6
71.01380	1.7
72.99298	0.2
73.02939	0.5
79.95737	3.3
80.96523	2.7
83.01368	0.2
85.02963	0.5
87.00883	0.7
89.02440	0.2
93.03452	0.6
95.01388	0.2
95.95248	0.4
96.96020	100.0
97.95953	0.4
99.00899	0.5
100.31737	0.1
101.02458	0.8
113.02440	0.7
121.02953	0.8
122.97592	0.5
125.02441	0.3
126.85667	0.2
135.42505	0.1
138.97092	8.0
143.03546	0.5
150.97096	0.9
164.98671	0.8
168.98216	0.8
180.98128	0.7
222.99164	1.3
227.07195	0.6
241.00223	33.7
242.00584	1.3
269.08182	0.2
283.03375	0.2
361.02274	0.2
469.08063	38.8
469.33240	0.8
470.08386	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	468.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.5
57.03452	2.8
59.01376	8.5
61.98841	4.5
68.99821	1.2
69.03458	1.2
71.01389	21.0
71.05015	7.7
71.71305	0.6
72.00914	0.4
72.01719	0.5
72.99312	3.6
73.02947	1.2
75.00879	8.5
77.38586	0.4
79.95741	3.0
80.96521	0.7
83.01385	1.3
84.02166	0.8
85.02958	22.8
87.00883	3.1
88.04048	24.1
89.02467	2.9
90.12890	0.4
93.03436	0.5
95.01392	1.7
95.95248	1.3
96.96022	61.9
98.95610	1.6
99.00885	4.6
99.04526	2.4
99.92537	0.5
101.02463	1.4
103.00362	1.1
103.92041	0.5
111.00915	1.1
113.02467	9.6
114.02783	0.5
115.00414	0.8
115.92116	0.6
116.07178	1.2
116.92866	0.5
117.01967	1.5
117.10925	0.4
120.01276	0.7
125.57743	0.4
129.01990	2.3
130.99947	0.5
133.01443	0.9
135.04552	1.0
137.02502	0.4
138.97096	1.8
146.08250	26.5
147.03027	1.0
147.08591	0.9
148.05318	0.7
149.04549	0.6
150.97073	0.7
157.01471	0.4
161.58928	0.4
163.07663	0.9
172.95439	0.4
173.00980	0.5
175.02513	1.0
180.98097	0.5
191.02013	7.2
195.06642	0.6
209.03046	27.8
218.10336	7.1
231.05058	1.4
239.40401	0.4
241.00244	7.9
242.95992	1.1
249.06149	15.9
250.06541	1.0
263.09189	0.5
267.07202	4.7
268.07272	0.5
293.17313	0.4
321.08240	2.4
371.06165	4.6
382.05203	0.5
424.06116	0.7
450.16391	1.3
468.17172	100.0
469.10272	10.1
469.17447	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	468.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.2
58.49368	0.2
59.01382	6.8
60.01711	0.9
61.01805	1.1
61.98832	100.0
62.98544	0.2
66.60255	0.2
71.01391	2.0
71.72066	0.3
72.99325	0.4
73.02950	0.4
75.00885	0.3
79.95742	3.2
80.96526	0.6
82.20515	0.2
85.02964	1.2
87.00925	0.2
88.23112	0.2
89.02454	1.3
95.95244	2.4
96.96024	32.1
97.95988	0.3
97.98991	0.2
98.19869	0.2
98.95617	1.0
99.00882	0.3
99.92628	0.2
100.68423	0.2
101.02468	1.1
107.05093	0.2
110.02415	0.2
110.97576	1.2
113.02473	0.6
115.92069	0.3
116.92908	0.2
119.03518	0.2
129.79189	0.2
137.02483	0.2
138.97108	0.8
147.02989	0.2
149.04628	0.4
150.97096	0.8
151.73222	0.2
151.97932	0.2
152.98651	0.3
163.07648	0.3
164.98691	0.3
165.02013	0.4
177.03996	0.2
179.03528	0.4
179.05617	0.2
180.04321	0.3
180.98181	0.5
191.02019	0.3
195.06699	0.5
198.99219	0.7
208.09958	0.2
209.03081	0.4
225.00809	0.9
241.00250	2.6
242.00623	0.3
245.08128	0.2
256.99921	0.6
259.01352	0.3
285.02951	0.2
398.35159	0.2
409.17444	0.5
425.07864	0.2
454.08255	0.6
468.16647	9.3
469.10440	18.3
469.17575	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	467.1957
Annotation	18-Demethylparaensidimerin C
Peak:m/z	Relative Intensity
50.47340	0.2
55.01883	0.2
59.01376	3.0
61.98832	3.9
65.59127	0.2
69.03448	0.9
71.01395	1.7
71.62915	0.4
72.99316	0.5
73.02943	0.7
75.00877	0.3
78.95901	0.3
79.95739	2.6
80.96537	1.2
83.01404	0.4
85.02959	1.3
87.00890	0.3
87.34808	0.2
88.04057	0.4
89.02485	0.3
95.95232	2.8
96.96021	56.3
97.02987	0.3
97.95951	0.3
98.95623	0.3
99.00876	0.6
101.02457	0.9
113.02441	0.5
122.97585	1.0
123.52018	0.2
130.08797	0.3
138.97089	1.7
150.97107	1.7
152.98666	0.3
154.13963	0.2
164.98615	0.5
169.08720	0.2
174.01727	0.3
177.04080	0.7
179.51263	0.2
180.98163	1.1
185.00896	0.5
187.40263	0.3
198.99194	0.6
241.00218	3.4
256.99643	1.2
259.01379	0.2
259.13901	0.2
381.12253	0.6
421.15433	2.9
422.15924	0.4
435.17041	1.0
436.17157	0.2
437.18628	3.1
438.18854	0.6
467.19598	100.0
468.19955	11.6
468.25116	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1961
Annotation	18-Demethylparaensidimerin C
Peak:m/z	Relative Intensity
57.03447	0.6
59.01095	0.5
59.01379	9.5
60.01693	0.3
61.98825	3.6
67.01907	0.4
69.03461	1.1
71.01382	5.8
71.33533	0.7
71.33868	0.4
72.99303	0.9
73.02951	1.2
75.00870	1.5
78.95912	0.5
79.95743	20.0
80.96511	2.3
83.01382	0.8
84.90726	0.3
85.02964	3.6
87.00891	0.6
88.04043	3.3
89.02446	1.2
95.94609	0.7
95.95243	29.0
96.96021	87.7
97.02911	0.5
97.95896	0.3
98.20079	0.5
98.95609	2.6
98.96447	0.5
99.00871	0.6
101.02451	1.3
103.00407	1.8
104.80545	0.3
113.02450	1.6
115.00394	1.2
122.97598	0.9
123.32498	0.3
129.01961	0.8
132.03052	1.5
134.82683	0.3
138.97095	3.3
141.95752	0.5
142.16484	0.3
143.03387	0.3
150.97093	7.0
151.97879	4.4
152.98653	0.6
164.98645	1.3
165.04202	0.4
176.98650	0.4
177.04066	3.0
180.98145	0.9
185.00909	0.5
194.99753	1.4
213.00793	1.2
222.99107	2.5
225.00810	0.5
231.58247	0.3
233.15727	0.4
241.00235	7.2
241.02489	0.6
242.00742	0.5
243.00089	0.4
256.99649	3.8
315.14728	0.6
327.11957	0.4
353.23474	0.5
381.12228	16.2
382.12491	1.7
387.20160	0.5
423.13232	7.2
424.13995	0.5
449.15445	0.5
467.12772	4.4
467.19693	100.0
467.67245	0.7
468.13220	0.7
468.19986	13.1
468.26230	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.5
61.98829	0.4
70.92211	0.6
71.01370	1.2
71.89537	0.2
72.99301	0.3
73.02955	0.4
79.95739	4.1
80.96526	1.1
83.01394	0.3
85.02963	1.6
86.95267	0.2
87.00874	0.2
89.02463	0.3
95.95235	3.8
96.96020	63.1
97.95960	0.3
98.95609	1.6
98.96487	0.2
99.00881	0.2
101.02460	1.1
113.02409	0.5
122.97588	0.6
129.01930	0.2
138.97096	2.1
144.04633	0.3
150.97079	0.8
152.98666	0.2
162.05647	0.2
164.98712	0.5
168.98097	0.3
177.04094	2.1
180.98143	0.9
182.99754	0.2
198.99185	1.6
204.06616	0.4
213.00761	0.3
225.00713	0.8
241.00243	3.6
242.00645	0.2
256.99741	2.5
259.01285	0.9
340.34863	0.2
418.10223	0.2
439.16183	0.9
447.09167	0.3
450.20392	0.4
467.15857	100.0
468.16208	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	467.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71007	0.2
59.01378	2.1
60.14179	0.2
61.98830	2.0
69.59700	1.9
71.01382	1.4
72.99290	0.4
73.02954	0.2
73.65287	0.2
75.00860	0.5
75.86674	0.2
78.95907	1.0
79.95739	3.8
80.96510	1.2
81.03451	0.2
83.01376	0.2
85.02936	1.0
87.00882	0.2
89.02436	0.6
90.35429	0.2
95.95243	4.3
96.89469	0.2
96.96021	57.0
97.95937	0.3
98.95615	0.3
101.02442	0.9
120.01324	0.2
122.97581	0.8
138.97092	2.3
147.91951	0.2
150.97128	1.6
151.97774	0.4
152.98601	0.3
161.92926	0.2
164.98604	0.3
168.98157	0.5
171.73196	0.2
177.04033	2.2
180.98108	1.0
198.99193	2.2
213.00761	0.4
225.00798	0.5
241.00233	3.6
256.99710	2.6
259.01279	3.5
268.91788	0.2
284.46503	0.2
289.62988	0.2
352.86230	0.2
383.10202	0.4
411.09726	0.3
423.13074	0.4
467.15921	100.0
468.16260	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24343	0.2
52.75621	0.2
56.76828	0.2
57.03467	0.2
59.01378	1.0
61.68029	0.2
69.40433	1.2
69.40859	0.9
71.01381	1.0
73.02978	0.2
79.95747	3.2
80.96541	1.3
81.97951	0.2
83.01361	0.3
85.02956	0.6
87.00890	0.4
95.95251	2.3
96.96024	55.9
97.95957	0.2
98.95586	0.2
101.02462	1.0
105.27901	0.2
107.52554	0.2
112.88925	0.2
113.02466	0.3
122.97588	0.9
124.05283	0.2
138.97130	1.0
150.97102	1.3
152.98618	0.5
177.04028	0.5
180.98158	1.3
193.28229	0.2
198.99190	0.6
222.99194	0.3
225.00786	0.7
241.00214	4.9
242.00522	0.4
256.87952	0.2
256.99716	1.1
285.02914	0.6
379.10800	0.5
407.10278	0.9
423.13495	0.6
449.14963	0.5
467.15900	100.0
468.16226	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.0
70.92616	0.5
71.01379	1.3
73.02953	0.3
79.95742	2.4
80.96531	1.4
85.02962	0.8
87.00889	0.4
89.02473	0.4
91.13739	0.2
95.95234	1.6
96.96021	65.6
101.02457	0.5
122.97633	0.7
138.97073	2.3
150.97110	1.4
164.98654	0.5
168.98172	0.3
177.04080	0.3
180.98172	1.0
198.99217	1.0
222.99150	0.3
241.00235	4.6
241.02509	0.4
256.99750	0.5
259.01312	0.3
299.04205	0.3
341.37918	0.3
431.45425	0.3
435.13190	0.4
467.15930	100.0
468.16299	10.6
487.78720	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59348	0.2
56.11770	0.3
57.18614	0.2
59.01372	1.3
70.15985	0.7
70.16397	0.7
71.01390	1.1
72.99306	0.4
73.02988	0.3
79.95735	4.0
80.96525	1.4
83.01340	0.3
84.53155	0.3
85.02961	0.7
89.02451	0.4
95.95246	1.9
96.96020	79.3
97.95959	0.3
98.19965	0.4
98.95604	1.4
98.96371	0.3
101.02454	1.1
101.56874	0.3
105.00243	0.3
113.02502	0.3
113.68626	0.2
122.97598	0.8
138.97093	1.2
150.97076	1.2
152.98656	1.1
177.04108	0.3
180.98172	1.8
198.99182	0.6
225.00841	0.4
241.00208	4.5
242.00708	0.3
256.99762	0.9
379.10754	0.6
467.15878	100.0
468.16223	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	467.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.4
60.23863	0.2
66.71370	0.1
71.01392	0.6
71.10687	0.3
79.95737	1.4
80.96524	0.5
95.95249	0.4
96.34246	0.2
96.96020	42.6
101.02454	0.6
122.97586	0.2
138.97075	0.4
150.97076	0.5
152.98668	0.5
155.65341	0.2
180.98141	1.9
204.13029	0.1
219.18677	0.2
225.00829	0.2
241.00221	4.7
242.00758	0.2
256.99747	0.6
258.66473	0.2
304.11240	0.2
372.57715	0.2
379.10669	0.6
467.15903	100.0
468.16235	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	467.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27909	0.2
55.58544	0.2
57.14157	0.3
59.01374	0.8
70.54725	1.0
70.55078	0.3
71.01379	0.8
79.95740	3.9
80.96519	0.7
85.02961	0.5
89.02465	0.3
95.92532	0.2
95.95235	5.4
96.96020	48.7
97.95901	0.4
101.02473	0.6
122.97619	0.6
127.25301	0.2
129.71411	0.3
138.50764	0.2
138.97078	1.1
150.97076	0.7
152.98625	0.5
164.98639	0.3
180.98085	0.6
198.99135	0.4
222.99207	0.3
225.00819	1.8
241.00293	2.6
246.77831	0.2
256.99628	0.6
374.97461	0.2
437.48792	0.3
467.15887	100.0
468.16217	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	465.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.9
58.00597	0.3
59.01378	100.0
60.01710	1.5
61.39739	0.3
61.98822	2.0
69.84917	1.7
71.00997	0.4
71.01387	7.8
72.99320	0.8
73.02960	1.1
75.00890	0.5
78.95920	1.1
79.95755	1.8
80.96542	0.8
81.48455	0.3
83.01422	0.4
85.02947	2.6
87.00895	1.3
89.02450	8.6
94.09002	0.3
95.01411	0.5
95.95257	1.1
96.96019	31.9
99.00916	0.7
101.02454	5.2
103.00400	0.3
113.02451	3.7
119.03510	3.6
125.02505	0.7
125.09709	0.4
129.02000	0.3
131.03552	0.4
136.73909	0.3
138.02066	0.4
138.16629	0.3
138.97110	1.6
143.03525	1.3
145.05092	0.8
149.04562	0.4
150.97118	0.4
153.09262	0.9
161.04596	3.2
164.98648	0.4
165.12981	0.3
171.10359	1.0
177.04129	0.6
179.05638	4.4
179.07193	0.4
180.98225	0.3
188.23138	0.3
198.99347	0.3
215.09323	0.9
222.99222	0.5
223.06136	0.5
225.00595	0.3
240.96489	0.3
241.00227	8.7
242.00496	0.5
243.15909	1.5
249.06113	0.5
256.99899	0.8
259.01343	0.3
285.04120	0.4
289.12915	0.3
324.92841	0.3
333.15533	0.3
372.57837	0.4
379.06937	1.7
405.21283	18.6
406.21582	3.1
418.57428	0.3
421.07944	1.5
449.20261	0.7
452.78647	0.3
465.07391	5.3
465.14850	28.7
465.23489	3.4
466.07687	1.0
466.15207	4.1
466.24020	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3353
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14434	28.6
59.01369	45.1
61.90741	28.2
61.98818	100.0
70.59482	76.9
91.56526	27.5
96.95982	26.5
98.20598	34.6
104.14841	29.8
117.14644	26.9
247.09155	28.5
247.45242	31.1
330.14691	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	467.05
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74728	0.3
59.01380	8.7
60.01725	0.4
61.98829	1.2
67.03202	0.3
70.85506	1.0
71.01371	0.9
71.28000	0.3
72.62019	0.4
73.02959	0.6
79.95735	4.1
80.96519	1.6
81.53499	0.4
85.02956	0.9
87.00887	0.6
89.02467	0.5
94.98083	0.5
95.95219	1.9
96.96020	100.0
97.79629	0.3
97.95901	0.5
98.95599	0.4
101.02451	1.1
103.00392	5.4
113.02431	0.6
113.55683	0.4
122.97613	0.7
123.00883	1.2
124.01684	5.5
128.08286	0.3
134.97578	1.4
138.97105	1.1
139.04019	4.5
150.97000	0.7
152.44017	0.4
152.98642	3.8
161.04665	0.4
164.98634	1.1
166.18275	0.3
166.96600	0.4
180.98151	1.9
194.99782	0.4
222.99174	0.6
225.00818	0.6
241.00229	25.3
242.00612	1.1
283.01251	3.1
363.04044	0.9
381.04959	43.5
382.05145	3.8
423.06015	28.6
424.06174	2.7
449.03952	1.4
467.05045	20.0
467.15665	9.8
468.05447	2.3
468.16422	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62094	0.2
57.03438	0.2
58.06010	0.2
58.58254	0.2
59.01373	1.1
61.98831	0.3
71.01389	1.0
71.71435	0.4
72.99310	0.5
75.00885	1.2
75.02592	0.9
78.95910	45.1
79.95747	0.9
83.01411	0.4
85.02952	1.4
96.96022	27.2
96.96971	100.0
99.00887	1.7
103.00385	1.1
112.98829	0.8
113.02469	0.2
124.86910	0.2
125.00941	0.3
126.20961	0.2
129.01907	0.5
129.03705	0.2
145.01445	0.6
157.03162	0.5
185.01035	0.2
191.01978	0.5
201.02158	0.6
209.02971	0.4
229.01503	0.4
235.10179	0.2
241.00174	0.9
261.04202	4.1
334.93121	0.2
377.85718	0.2
379.84912	0.2
381.04785	1.3
423.06003	0.6
449.05667	0.3
467.08566	1.4
467.15939	3.7
468.16345	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.6
59.01378	100.0
60.01712	1.2
61.98829	0.4
69.86409	2.0
71.01388	6.5
71.01772	0.4
71.49573	0.3
72.99298	0.2
73.02960	0.3
81.62029	0.3
83.01416	0.3
85.02976	1.2
87.00902	0.4
89.02449	9.7
96.96027	2.8
98.19901	0.6
101.02463	4.4
113.02456	3.0
119.03523	5.5
128.20578	0.3
129.01772	0.3
131.03523	0.6
138.40099	0.3
143.03522	1.7
149.04578	0.4
161.04561	2.0
167.10800	0.6
179.05626	4.2
241.00154	0.6
379.07101	0.5
388.94348	0.5
405.21280	3.6
406.21631	0.6
421.08463	0.3
465.15112	0.8
465.23471	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	465.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.0
58.00611	0.4
59.01379	100.0
60.01718	1.1
61.98835	0.9
67.00673	0.3
69.90402	1.6
71.01385	7.1
71.01773	0.5
72.99300	0.3
73.02961	0.6
75.00890	0.4
78.95905	0.3
79.95764	0.7
85.02954	1.8
87.00899	1.0
89.02453	9.6
95.01435	0.4
95.95233	0.4
96.96024	10.5
96.96979	0.5
98.19865	0.3
99.00951	0.3
101.02451	4.2
113.02469	3.5
116.92798	0.3
117.43444	0.2
119.03520	5.0
125.42709	0.3
131.03523	0.6
138.97092	0.5
143.03520	1.1
149.04538	0.6
153.09297	0.3
160.64102	0.3
161.04594	2.4
167.10770	0.3
171.10243	0.2
179.05649	5.0
215.09332	0.3
241.00328	1.2
256.99753	0.4
379.06967	0.7
405.21317	4.3
406.21710	0.6
421.07925	0.4
447.14938	0.3
449.20505	0.3
465.08005	0.5
465.14395	13.6
465.23413	1.3
466.09268	0.3
466.14871	1.9
466.23438	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.18
Annotation	Asterriquinone C-1
Peak:m/z	Relative Intensity
55.01883	0.3
56.05437	0.3
57.03433	0.8
58.22741	0.2
59.01378	11.8
61.98831	22.8
69.03449	0.6
70.71433	1.0
71.01385	5.1
72.99303	1.2
73.02948	1.4
75.00889	2.0
78.95911	1.1
79.95742	6.4
80.15722	0.3
80.96530	1.6
83.01379	0.9
85.02963	4.8
87.00873	1.2
88.04057	0.8
89.02446	1.3
93.03434	0.4
95.01387	0.6
95.95232	2.8
96.96022	100.0
97.95955	0.7
98.20391	0.5
98.95602	5.0
98.96461	0.6
99.00875	1.6
101.02460	2.5
103.00376	0.4
111.00909	0.4
113.02458	4.2
115.00420	0.5
117.01998	0.4
119.05032	0.5
120.01266	0.3
121.03002	0.3
122.03757	0.3
122.97578	0.7
125.02438	0.3
129.01994	0.4
132.03062	0.3
138.97137	1.4
143.03383	0.3
149.04547	0.3
150.03235	0.6
150.97118	1.7
152.98636	1.4
154.99963	0.3
163.03983	0.4
165.05603	0.4
180.98154	2.7
191.02065	0.4
198.99219	0.6
215.16504	6.9
215.18494	0.3
216.16872	0.6
240.13356	0.5
241.00215	8.0
242.00627	1.4
242.99809	4.5
249.06232	1.6
256.99844	1.0
259.01263	0.3
267.07120	0.6
325.90607	0.3
435.17349	0.8
465.18335	87.2
465.23273	7.8
465.66888	0.4
466.18790	12.1
466.24530	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	465.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42902	0.3
58.98862	0.2
59.01383	1.6
70.31223	1.2
71.01378	0.9
72.35820	0.2
72.99285	0.3
73.02954	0.3
79.95741	4.8
80.96527	1.5
83.01374	0.3
85.02940	0.5
87.00873	0.4
89.02456	0.2
95.95250	1.1
96.96018	100.0
101.02461	1.5
102.07220	0.2
105.74673	0.3
122.12991	0.2
122.97598	0.8
125.56396	0.3
131.43240	0.3
131.49838	0.3
138.97069	1.5
150.97072	1.1
152.98671	1.6
180.98131	3.7
198.99303	0.5
225.00800	0.4
241.00247	6.9
242.00381	0.3
256.99750	0.4
259.01334	0.3
289.38321	0.2
302.03467	0.7
417.69696	0.2
465.14340	76.0
466.14658	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	465.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.7
71.01379	1.6
71.19032	0.8
72.99287	0.4
73.02939	0.5
79.95331	0.4
79.95753	3.2
80.10733	0.3
80.96521	1.4
83.35650	0.2
85.02963	0.9
87.00880	0.6
89.02441	0.3
95.95255	1.6
96.96020	72.8
97.95982	0.3
101.02457	1.5
113.02470	0.3
120.76693	0.3
121.02975	0.4
122.97585	1.1
138.97099	2.4
150.97064	1.7
152.98599	0.3
155.10796	1.2
156.11159	0.3
159.24120	0.3
163.11270	0.3
164.98636	0.5
168.98120	0.3
180.98131	1.1
181.12332	0.4
191.02029	0.3
198.99147	0.9
199.09686	0.5
222.99290	0.3
225.00778	0.8
240.97704	0.3
241.00212	6.6
259.01263	1.2
343.07028	0.5
381.12253	0.5
465.14383	100.0
466.14691	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	465.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06482	0.4
59.01380	2.8
60.72692	0.3
61.98804	0.4
69.34171	0.3
69.62348	3.0
71.01382	4.2
72.99279	0.3
73.02938	0.9
75.00867	1.1
79.95742	25.2
80.96531	1.0
83.01420	0.4
85.02966	2.4
87.00368	0.3
87.00876	1.5
95.95238	35.5
96.96019	73.6
98.20612	0.8
98.95580	0.7
99.00867	0.6
101.02455	1.0
113.02425	0.6
122.97607	0.9
129.01968	0.7
138.97092	3.6
141.95807	0.4
147.02795	0.4
150.97086	10.5
151.97871	7.1
152.98663	0.6
164.98586	0.4
168.11751	0.3
168.98109	0.8
176.98740	0.8
177.04045	7.0
194.99658	1.5
213.00783	1.9
217.38719	0.4
222.99190	3.0
241.00238	8.0
256.99716	10.1
258.00046	0.8
285.62961	0.3
303.13727	0.7
329.05606	0.5
439.10681	0.6
465.14224	100.0
466.14536	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	465.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12178	0.2
56.65673	0.2
59.01377	2.7
62.21080	0.2
69.39558	0.8
69.39984	1.4
71.01113	0.2
71.01386	1.9
72.99297	0.4
79.95275	0.3
79.95745	5.3
80.96516	1.8
81.25991	0.2
82.68137	0.2
83.01399	0.4
85.02955	1.3
89.02467	0.7
95.95239	4.0
96.96019	90.8
97.95949	0.4
101.02476	1.3
113.02480	0.5
118.07050	0.2
122.97584	1.2
138.96045	0.4
138.97092	7.7
138.98155	0.5
150.97093	1.7
152.98672	0.2
164.98636	0.6
168.98132	1.0
177.04037	0.5
180.98149	1.2
198.99190	6.5
199.99513	0.2
213.41422	0.2
222.99139	0.3
241.00211	4.6
256.99619	0.6
259.01266	3.9
285.02911	1.2
465.14285	100.0
466.14645	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.2
59.01375	2.3
61.33995	0.2
62.54434	0.2
70.01151	0.3
70.01556	0.7
70.46690	0.2
71.01382	1.4
72.71861	0.2
77.48619	0.2
79.95741	3.4
80.96528	1.5
85.02959	0.8
85.71600	0.2
88.70844	0.2
89.02459	0.5
93.10841	0.2
95.95239	2.0
96.96021	70.8
101.02461	0.9
122.97614	1.2
125.02449	0.4
138.97104	2.1
149.81412	0.2
150.97098	1.8
152.98607	0.2
164.98650	0.5
168.98105	0.6
177.04030	0.3
180.98132	0.8
198.99184	1.6
222.98920	0.2
225.00740	0.5
241.00240	4.8
242.00378	0.2
256.99603	0.3
259.01370	1.0
273.01926	0.2
407.10019	0.4
465.14340	100.0
466.14648	13.3
467.93500	0.3
476.64929	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68897	1.6
55.01875	0.5
57.03454	1.0
58.88853	0.5
59.01382	9.0
61.98821	1.7
65.00340	0.5
69.03455	0.6
69.67847	4.1
71.01380	3.8
73.02940	0.9
75.00866	0.6
79.95745	4.4
80.96528	1.4
83.01406	1.1
85.02964	5.2
85.70326	0.5
87.00857	1.2
87.02602	0.5
89.02478	1.2
89.03994	0.6
93.03480	2.1
95.01408	0.4
95.05039	1.7
95.95251	2.5
96.96021	47.7
98.20282	1.8
98.95573	2.9
99.00900	1.3
101.02467	1.7
103.00390	0.5
103.05538	0.6
108.02190	12.2
109.02980	14.8
110.03288	0.5
111.00893	0.7
113.02459	1.9
117.03465	1.1
119.05055	1.7
121.03010	1.1
122.03747	0.9
122.97542	0.8
123.04537	17.3
124.04866	1.0
125.02471	1.3
129.01970	0.8
133.02953	2.5
134.03716	0.5
135.00879	1.0
137.02483	3.7
138.97095	1.4
145.02942	1.7
147.03009	0.5
147.03400	0.5
147.04533	4.3
149.02391	1.4
150.03198	1.2
150.97104	1.0
151.00365	1.5
151.04027	8.4
154.99875	1.6
159.04523	2.5
160.01678	3.0
161.02451	3.4
161.04590	0.5
161.06102	0.5
162.03293	0.9
163.00243	0.5
163.04010	0.7
169.84288	0.6
175.04018	5.0
176.01155	1.1
177.01949	25.7
178.02289	2.0
178.99870	0.6
187.03983	2.2
188.04788	0.6
189.01944	52.0
190.02690	13.3
191.01958	1.3
191.03508	11.5
192.03735	0.7
193.05167	0.7
198.99176	1.3
203.03511	6.6
203.07187	0.6
205.05000	1.0
205.12318	0.8
216.00639	9.6
216.31055	0.5
217.01419	39.5
218.01936	3.7
219.02966	15.9
220.03371	0.8
222.99272	0.5
225.00757	1.5
227.07088	0.6
229.08614	0.6
231.02995	13.0
232.03525	1.0
233.04469	0.9
241.00131	3.6
245.08110	1.1
255.06584	0.6
259.01248	1.2
259.06076	0.6
270.05319	0.6
271.06107	4.1
272.06473	0.5
281.04572	1.2
285.12384	0.8
289.07187	3.8
297.04266	1.1
297.07715	2.1
300.02798	0.6
301.07123	1.2
303.13409	0.8
310.28094	0.6
313.07260	1.5
323.05658	1.9
327.05566	1.8
341.06668	100.0
342.06989	9.8
345.08347	0.9
355.08231	8.5
356.08493	1.1
399.15021	0.6
433.15491	0.5
448.18204	0.6
465.12665	49.2
465.18295	12.3
465.28128	2.1
466.12079	7.6
466.18652	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	464.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54279	0.4
57.03452	0.6
59.01378	17.8
61.98830	100.0
71.01381	3.3
72.99300	0.5
73.02959	0.8
75.00889	1.0
78.95906	2.2
79.95758	1.2
83.01386	0.8
85.02960	2.8
87.00916	0.6
88.04069	0.7
89.02461	0.6
94.63140	0.4
95.95247	0.7
96.96017	12.6
96.96603	0.8
98.06122	0.5
98.24376	0.4
99.00883	1.2
99.04601	0.5
101.02438	1.0
109.86474	0.5
113.02467	1.2
115.00411	0.7
122.97594	0.5
127.00402	0.5
189.00447	0.8
202.34471	0.5
241.00339	1.3
245.07423	0.5
271.02603	0.5
272.02798	0.5
301.03284	0.9
302.03674	0.8
315.18228	1.2
329.23434	0.6
330.23782	0.8
340.44009	0.5
464.09543	1.7
464.16812	4.2
464.22968	2.7
465.18292	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	465.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37961	0.2
57.03437	1.0
57.63260	0.2
59.01378	28.8
60.01711	0.5
61.01803	0.4
61.98829	7.2
69.71671	1.4
71.01387	4.8
72.01696	0.2
72.99323	0.8
73.02957	1.1
75.00884	0.7
78.95896	0.4
79.95733	3.3
80.96522	2.3
81.03468	0.3
83.01383	0.2
85.02956	2.7
87.00896	1.2
89.02448	4.9
90.02776	0.4
91.02843	0.2
94.98099	0.4
95.01399	0.5
95.95235	1.4
96.96022	100.0
98.95632	0.4
99.00878	0.4
101.02457	3.6
103.00378	3.4
107.05058	0.3
109.02955	0.2
113.02452	3.0
114.02776	0.3
115.00383	0.3
117.62994	0.2
119.03516	2.1
119.05031	0.7
120.01279	1.1
121.06578	0.3
122.97640	0.6
125.02453	0.9
125.09711	0.6
129.01958	0.3
131.03535	0.4
134.97609	1.0
137.06102	7.5
137.49055	0.2
138.97095	2.2
143.03493	0.5
144.03889	0.3
150.97075	1.0
152.98663	2.9
153.09204	0.4
161.04578	0.9
164.98627	0.9
166.02666	0.2
166.09476	0.3
166.96626	0.4
168.98192	0.3
171.10283	1.0
177.04114	0.6
179.05698	1.3
180.98149	1.5
181.01326	0.2
184.54642	0.2
191.01909	0.3
194.99643	0.4
198.99205	1.5
211.83769	0.3
213.00594	0.3
215.09293	0.6
220.17426	0.2
222.99193	0.8
241.00237	21.9
242.00551	0.7
249.06168	0.8
256.99789	0.4
259.01349	1.3
267.07376	0.3
283.01385	2.4
285.04126	0.7
285.12500	0.3
289.12939	0.6
303.05188	0.3
361.06064	0.5
379.07047	28.4
380.07379	2.9
405.21362	4.0
406.21545	0.3
421.08060	20.5
422.08426	2.5
447.06122	0.9
450.03735	0.3
465.07147	18.6
465.14505	43.6
466.07538	1.6
466.14819	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	463.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45403	0.2
55.01862	0.4
56.13528	0.2
56.82531	0.2
57.03437	0.7
58.00591	0.2
59.01375	6.0
60.01699	0.2
61.98829	0.3
69.03488	0.5
71.01380	3.8
71.05009	0.3
73.02940	1.0
79.95730	0.9
80.96532	0.3
83.01398	0.8
83.05026	0.3
85.02956	1.8
87.00882	0.5
89.02451	2.5
89.34494	0.2
93.03463	2.1
95.01431	0.5
95.95221	0.5
96.96018	10.4
97.03011	0.2
98.19833	0.4
99.00877	0.3
101.02446	3.7
111.08197	0.5
113.02489	1.8
119.03510	1.1
121.02972	0.3
125.02498	0.3
133.05116	0.3
134.03780	0.3
137.02455	5.2
143.03447	0.4
151.00391	0.3
157.05052	0.3
161.04558	1.2
164.26534	0.2
165.12859	8.1
166.13152	0.6
177.04089	0.4
183.13905	100.0
184.14240	6.6
184.15895	0.4
209.11804	1.1
212.54836	0.2
221.08250	0.8
225.00496	0.2
227.12874	9.8
228.13162	0.6
235.08180	1.4
241.00180	1.5
253.09265	5.4
254.09558	0.3
256.99756	0.2
271.02380	0.7
300.02823	0.8
301.03534	0.5
325.05957	2.3
343.07083	0.9
445.20737	0.8
463.08841	4.3
463.16907	3.0
463.21814	68.8
464.09164	0.6
464.17194	0.4
464.22171	9.6
486.87067	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.9
56.92368	0.3
57.03448	12.2
58.00589	0.5
59.01379	5.9
61.98825	1.7
68.99818	1.2
71.01379	3.2
71.28826	0.7
72.99316	1.4
73.02959	0.8
75.00885	1.2
78.95884	0.4
79.35979	0.4
79.95751	1.0
80.96532	0.8
83.01381	2.1
84.02180	2.8
85.02958	100.0
85.65782	0.4
86.03291	2.4
87.00869	1.8
96.96021	26.3
99.00862	0.5
101.02451	1.0
103.00411	2.0
110.80556	0.3
111.00890	4.7
113.02469	0.4
113.80811	0.3
115.00379	0.8
115.91382	0.3
117.82038	0.4
127.21342	0.3
129.01959	10.9
138.97113	2.5
145.01463	0.3
147.03011	12.0
147.04517	3.1
151.00406	0.8
152.99532	0.4
168.78143	0.3
168.98201	0.5
173.00896	2.4
180.98029	0.4
191.01987	53.9
192.02362	2.2
198.99228	1.0
209.02988	1.8
241.00273	1.1
243.02904	0.5
255.03004	1.2
259.01196	0.6
271.02499	2.1
271.22803	2.6
272.03058	0.7
272.23080	0.5
299.01920	0.6
300.02823	3.6
301.00156	0.4
301.03226	2.1
317.02875	0.4
339.25302	0.9
344.32782	0.4
445.24515	0.9
463.08929	3.7
463.19958	49.6
463.25537	5.3
464.09506	0.6
464.20172	6.2
464.25885	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56940	0.2
52.47364	0.2
55.01873	0.6
57.03438	0.9
58.00608	0.3
59.01377	8.8
64.24559	0.2
69.03474	0.5
69.96752	0.8
71.01382	6.8
72.99311	0.4
73.02956	1.5
79.95739	0.4
80.90692	0.2
83.00974	0.2
83.01377	0.9
83.05069	0.2
85.02961	2.9
87.00880	1.1
89.02447	5.0
89.69714	0.2
91.04018	0.3
95.01422	0.4
95.95215	0.2
96.96019	3.9
97.02941	0.3
97.06599	0.2
98.19891	0.2
98.20432	0.3
98.95610	0.5
99.00880	0.4
101.02453	6.2
111.08150	0.8
113.02455	3.0
115.03931	0.2
119.03538	1.7
121.02975	0.3
125.02499	0.3
131.03494	0.3
133.05095	0.6
136.07669	0.2
138.97072	0.2
143.03532	0.4
160.04027	0.5
161.04585	1.7
163.11325	0.2
165.12868	8.1
166.13223	0.6
174.99854	0.2
179.05650	0.6
183.13918	100.0
184.14265	6.6
191.01962	0.4
209.11806	1.5
210.82799	0.2
227.12878	7.9
228.13268	0.6
235.08211	1.1
241.00215	0.7
249.82578	0.2
253.09264	6.9
254.09738	0.3
271.02533	0.3
283.50284	0.2
290.63370	0.2
300.02832	0.6
301.03467	0.3
301.16492	0.3
336.14984	0.2
369.46100	0.2
377.09430	0.3
417.21939	0.2
439.71783	0.2
445.20718	0.8
463.16946	2.5
463.21814	68.7
464.16718	0.5
464.22183	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.8
58.00585	1.4
59.01380	100.0
60.01713	1.3
61.98830	3.0
64.90909	0.4
69.03465	0.4
69.71695	3.1
71.01386	25.8
72.01734	0.4
72.99318	2.7
73.02957	1.8
75.00871	2.9
79.95739	1.4
81.49226	0.4
83.01404	0.9
85.02961	8.4
87.00881	4.1
89.02455	33.9
90.02793	0.6
93.03486	0.6
95.01400	2.2
96.96021	11.4
97.02956	0.6
99.00912	2.3
99.04562	0.8
101.01784	0.6
101.02457	12.9
103.00389	0.5
107.08714	0.5
109.02955	0.8
110.97594	0.9
111.04532	0.8
113.02466	14.5
114.02781	0.6
117.01962	0.9
119.03521	12.5
120.01295	1.0
125.06108	6.2
129.01959	0.9
131.03510	1.9
135.04517	0.5
137.02515	0.5
143.03503	3.5
149.04561	1.3
151.07664	0.7
161.04587	4.4
161.08167	1.1
165.09236	4.3
169.08730	0.8
175.02501	0.4
179.05650	13.9
180.06079	0.6
190.99850	0.4
191.01964	0.5
203.09239	0.4
205.12379	0.4
205.69348	0.4
206.02209	0.6
221.04474	1.5
223.06447	0.4
240.98326	0.4
241.00253	3.7
241.14474	0.4
249.06177	5.2
267.07208	2.7
332.17188	0.4
372.98883	0.5
375.13000	8.2
376.13104	1.1
401.55542	0.4
403.19849	2.0
463.05460	1.3
463.14258	16.9
464.14499	2.2
468.32507	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.6
57.03447	4.4
58.00592	2.4
59.01379	100.0
60.01708	1.3
61.98829	2.2
63.12854	0.6
68.99828	0.5
69.03453	1.3
69.81821	2.9
69.82233	1.5
71.01385	40.3
71.05036	0.6
71.65847	0.6
72.01724	1.0
72.99324	2.3
73.02964	2.2
75.00891	2.5
79.95763	1.2
83.01396	1.3
85.02966	9.7
87.00881	5.6
89.02452	59.5
90.02808	0.7
95.01399	2.7
95.64326	0.5
96.96020	13.4
98.19906	0.6
99.00894	2.1
99.03403	0.5
99.04578	0.8
101.02457	19.1
101.03097	1.0
102.02837	0.6
103.00349	1.1
109.02969	1.3
113.02464	21.0
117.01985	0.7
119.03519	24.5
120.03828	0.8
125.02490	1.0
125.06091	4.1
129.01956	0.7
131.03532	2.7
138.97157	0.8
140.01204	0.7
143.03508	6.1
149.04646	2.7
149.06007	0.5
150.25319	0.6
153.09230	1.0
155.03532	1.3
156.03745	0.5
161.04567	5.9
165.09218	8.3
169.08704	0.5
175.02499	0.6
179.05626	24.0
180.05939	0.6
202.03957	0.5
239.83098	0.6
239.93993	0.6
241.00214	7.3
241.14426	3.4
242.00502	0.7
242.14778	0.8
249.06165	4.9
267.07343	2.4
342.44443	0.6
375.12943	8.7
379.70160	0.6
403.19687	4.9
419.06772	0.7
445.13358	0.6
463.08307	1.2
463.14514	15.9
463.21497	1.0
464.15210	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.1
59.01379	4.6
61.18496	0.4
69.03472	0.7
71.01384	1.4
73.02945	3.5
75.00891	0.6
83.05020	1.0
85.02952	2.7
85.10226	0.4
87.04535	0.5
89.02470	0.6
95.95245	0.8
96.96022	8.2
98.20650	1.0
99.04562	0.7
101.02447	0.8
120.04845	0.6
131.03548	0.9
137.09744	6.3
138.10016	0.6
143.73148	0.4
149.04518	0.5
151.00398	0.6
152.32112	0.5
155.10797	100.0
156.11122	6.0
191.02019	0.8
199.09775	49.6
200.10155	3.2
202.89534	0.5
209.11876	2.3
238.58072	0.4
241.00272	1.1
243.03061	0.9
253.09082	0.5
255.02968	1.3
271.02533	3.7
299.13937	0.6
300.02768	4.1
301.03497	2.6
301.06708	0.6
331.13986	22.6
332.00290	0.4
332.14297	2.0
428.12708	0.5
463.08554	2.8
463.12924	1.8
463.18188	25.1
464.18527	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	463.2005
Annotation	MK 0457
Peak:m/z	Relative Intensity
50.74890	0.2
57.03447	2.0
58.15360	0.2
59.01374	2.8
59.30212	0.2
61.98835	1.1
69.17511	0.2
69.69298	1.6
71.01378	1.3
72.99295	0.3
73.02965	0.3
75.00881	0.4
78.95877	0.2
79.95737	1.5
80.96507	1.1
83.01385	0.7
84.02160	0.6
85.02953	16.2
86.03272	0.5
87.00848	0.3
89.02454	0.3
95.95226	0.6
96.96019	50.7
101.02447	0.9
103.00365	0.4
111.00870	0.6
113.02458	0.3
115.00378	0.2
122.97585	0.3
129.01941	2.0
138.97083	5.6
138.98151	0.3
147.03001	2.4
147.04453	0.5
150.97078	0.7
151.00334	0.5
152.99612	0.2
164.98616	0.4
168.98103	0.4
173.00923	0.7
180.98151	0.3
191.01979	8.8
198.99193	3.7
209.03058	0.3
241.00232	2.6
243.02982	0.3
249.93475	0.2
255.03056	0.6
259.01187	1.0
271.02432	1.6
271.22812	0.5
272.02676	0.4
299.01929	0.4
300.02740	2.0
301.03375	1.3
316.02271	0.3
429.96732	0.2
463.20013	100.0
463.68173	0.4
464.09894	0.4
464.20328	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	463.182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.1
59.01379	4.6
61.18496	0.4
69.03472	0.7
71.01384	1.4
73.02945	3.5
75.00891	0.6
83.05020	1.0
85.02952	2.7
85.10226	0.4
87.04535	0.5
89.02470	0.6
95.95245	0.8
96.96022	8.2
98.20650	1.0
99.04562	0.7
101.02447	0.8
120.04845	0.6
131.03548	0.9
137.09744	6.3
138.10016	0.6
143.73148	0.4
149.04518	0.5
151.00398	0.6
152.32112	0.5
155.10797	100.0
156.11122	6.0
191.02019	0.8
199.09775	49.6
200.10155	3.2
202.89534	0.5
209.11876	2.3
238.58072	0.4
241.00272	1.1
243.03061	0.9
253.09082	0.5
255.02968	1.3
271.02533	3.7
299.13937	0.6
300.02768	4.1
301.03497	2.6
301.06708	0.6
331.13986	22.6
332.00290	0.4
332.14297	2.0
428.12708	0.5
463.08554	2.8
463.12924	1.8
463.18188	25.1
464.18527	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	463.1643
Annotation	PM-53
Peak:m/z	Relative Intensity
51.45671	1.1
55.56291	0.2
56.62960	0.3
57.03430	0.4
59.01102	0.6
59.01382	11.1
61.98834	2.3
68.40651	0.3
69.03458	0.4
71.01385	4.9
71.05016	1.0
71.73096	0.3
71.73457	0.4
72.99286	0.8
73.02941	1.2
75.00890	2.0
79.95744	7.7
80.96524	2.3
83.01388	1.0
85.02962	3.4
87.00880	1.0
89.02447	1.2
90.40237	0.2
93.03461	0.4
95.01379	0.4
95.95242	8.8
96.96020	100.0
97.02969	0.5
97.95939	0.6
98.95570	0.4
99.00901	1.3
99.91974	0.3
101.02453	3.4
101.32065	0.3
103.00393	0.3
107.01355	0.3
108.02211	0.3
113.02481	1.8
120.01276	0.5
121.02969	5.3
122.97615	0.8
124.90615	0.3
125.02479	0.5
129.01965	0.9
131.03543	0.5
132.03011	0.3
134.03767	0.6
138.97090	8.4
141.95874	0.3
144.04607	0.8
147.02995	0.4
150.97098	2.0
151.00401	0.9
151.97910	0.4
153.02286	0.6
155.10867	0.5
160.04102	0.5
161.02481	0.8
161.04605	0.3
161.13504	0.4
164.98721	0.8
165.01958	0.3
168.98193	1.1
176.98679	0.5
177.04034	4.5
177.05258	0.3
178.99878	0.4
180.98213	1.0
194.99762	0.5
198.99190	5.1
199.00874	0.3
205.07370	0.3
205.12328	0.5
213.00830	0.8
221.08282	0.9
222.99275	0.7
227.03401	0.4
241.00223	18.8
242.00526	0.3
243.02916	0.4
253.57034	0.3
255.03084	0.7
256.99701	3.9
257.13052	0.4
259.01248	2.1
271.02521	3.0
272.03110	0.7
299.02191	1.1
300.02762	3.5
301.03510	2.5
301.12067	0.5
301.20523	0.4
301.91864	0.3
316.02475	0.7
317.03000	0.4
341.05655	1.1
341.09360	2.3
377.09839	0.4
382.22119	0.6
431.13754	3.0
432.14429	0.5
445.08270	0.5
447.13171	2.1
463.09641	8.0
463.16898	65.1
463.25015	3.6
463.74533	1.9
464.10501	0.6
464.17368	9.4
464.23740	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.5
57.03439	1.0
59.01092	0.5
59.01380	6.9
61.98824	0.8
69.45149	0.9
69.45574	2.3
71.01382	5.0
72.99312	0.8
73.02953	2.0
75.00874	1.4
79.95746	7.1
80.96516	1.8
83.01390	1.1
83.05037	0.3
85.02950	3.1
87.00864	0.7
89.02472	1.5
95.01341	0.3
95.95247	4.7
96.96022	63.6
97.95975	0.5
99.00914	0.4
101.02451	4.2
113.02484	1.7
116.92833	0.3
119.03487	0.5
121.03007	0.4
121.06609	0.7
122.97618	0.7
129.01955	0.7
137.09749	6.1
138.97084	1.7
141.95805	0.7
143.95915	0.3
149.04720	0.3
150.97047	1.3
151.00369	0.6
152.98634	0.3
155.10788	0.3
160.71117	0.3
161.04611	0.4
161.09569	0.4
163.11316	5.8
164.98631	0.3
178.99901	0.4
180.98177	1.1
181.29340	0.3
185.26030	0.3
187.07658	0.7
191.01970	0.3
198.99184	1.2
199.09772	0.3
203.10788	9.9
203.12689	0.6
204.11057	0.5
221.11871	1.8
222.99156	0.4
225.00735	2.4
241.00247	4.2
259.01248	1.5
300.02643	0.4
301.03574	1.7
302.04404	0.3
315.14444	0.5
345.11011	0.3
365.15988	0.7
383.17096	1.8
419.18723	0.3
463.12772	100.0
464.13086	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23811	0.4
57.03440	1.3
59.01094	0.9
59.01379	12.5
61.98830	1.6
65.81752	0.4
68.99837	0.4
69.03454	0.9
69.85593	1.4
69.86025	1.5
71.01385	7.6
71.05031	1.0
72.99309	1.4
73.02957	2.3
75.00909	2.2
79.95742	8.1
80.96535	2.2
83.01391	1.4
83.05038	1.6
84.69232	0.4
85.02959	7.5
87.00899	2.0
88.56134	0.4
89.02442	4.0
93.03468	37.9
94.03813	1.4
95.86368	0.4
95.95242	6.8
96.96022	100.0
97.02946	0.6
98.20420	1.4
98.95616	1.3
99.00900	1.4
99.12695	0.4
101.02446	5.2
101.06124	0.5
109.02938	0.6
111.00898	0.5
111.08186	0.6
113.02478	2.9
115.04100	0.4
119.03524	1.2
120.01247	0.6
121.02979	1.2
122.97665	0.7
125.02369	0.5
129.02003	1.6
134.03766	1.3
137.02463	99.2
138.02812	4.4
138.97119	2.9
141.95825	0.6
143.03596	0.6
147.03023	0.7
149.02512	0.7
150.97090	1.6
151.00392	1.4
152.98648	0.9
155.10759	0.9
159.02893	0.5
160.04065	0.9
161.04576	1.6
164.98683	0.7
165.07536	0.4
165.12868	7.7
166.13316	0.5
167.03494	0.5
168.98172	0.9
177.04059	6.7
177.09167	0.6
178.99832	0.5
180.08754	0.4
180.98163	0.8
183.13916	99.2
184.14294	4.2
191.02040	2.0
191.03613	0.7
199.09732	0.4
209.11861	1.6
213.00757	1.0
219.02991	1.6
221.08203	3.7
222.99240	1.1
225.00731	2.1
227.12914	8.6
235.08171	0.9
241.00252	13.2
243.02928	0.8
253.09296	4.3
255.03033	1.6
256.99713	5.4
271.02554	3.0
272.03195	0.5
299.01852	1.6
300.02747	4.6
301.03546	2.1
316.02402	0.6
317.03052	0.5
325.05984	51.4
326.06424	3.2
343.02869	0.9
343.07050	15.8
344.07443	1.2
383.13519	0.5
419.10013	0.6
421.24667	0.6
427.16263	0.5
463.09161	62.1
463.16248	15.4
463.21970	55.7
464.09521	7.6
464.16531	1.9
464.22369	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	463.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28234	0.2
55.01875	0.3
57.03438	0.7
58.00599	0.2
59.01087	0.4
59.01378	6.8
61.98830	1.1
67.49884	0.2
67.50396	0.2
69.03451	0.4
69.59023	1.1
69.59441	0.4
71.01382	3.2
71.03690	0.2
71.05021	1.6
71.09839	0.2
72.99325	0.4
73.02949	1.5
73.30962	0.2
75.00890	0.6
79.95744	5.8
80.96524	3.0
83.01377	1.0
85.02954	2.9
87.00883	0.8
89.02463	0.9
95.01392	0.2
95.19685	0.2
95.94654	0.1
95.95239	4.1
96.96021	100.0
97.02934	0.3
97.95977	0.3
98.95614	0.3
99.00899	0.6
101.02454	3.2
109.02972	0.2
111.94740	0.2
113.02448	1.6
121.02974	3.5
122.97600	0.9
123.04578	0.3
125.02524	0.3
129.01938	0.5
131.03464	0.2
134.03741	2.0
138.97087	15.4
143.03529	0.2
147.03084	0.2
149.04681	0.2
149.09703	0.4
150.97064	1.2
151.00397	0.5
151.97795	0.2
152.98628	0.4
153.02278	2.3
153.83069	0.2
154.25894	0.2
159.02917	0.3
161.02458	1.4
161.04596	0.5
164.98669	0.4
168.98105	0.6
171.37779	0.2
177.04097	2.0
177.09193	0.4
178.99878	0.3
180.98129	0.7
191.01930	0.2
194.99728	0.4
198.99190	6.3
199.99493	0.2
205.12312	0.5
221.08188	2.4
222.99214	1.7
225.00792	0.3
232.13451	0.2
241.00229	41.3
242.00488	1.6
243.02890	0.4
255.02995	0.5
256.99832	1.2
259.01279	0.9
266.93817	0.2
271.02435	1.4
272.03162	0.3
299.01895	0.4
300.02695	1.9
301.03452	1.1
341.09140	1.0
350.83932	0.2
382.21881	0.8
382.71902	0.4
395.22430	0.2
397.15118	0.3
431.13736	1.2
432.14111	0.2
445.07977	1.3
447.13455	0.7
463.09161	35.9
463.16382	27.3
463.24338	2.8
463.74426	1.0
464.09464	5.0
464.16660	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	463.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.2
56.71414	0.2
59.01373	2.3
61.98830	2.1
69.38789	1.9
69.80222	0.2
71.01382	1.2
71.05024	0.9
72.99319	0.3
73.02948	0.5
75.00865	0.2
79.95742	3.1
80.96514	1.1
83.01385	0.4
85.02956	0.6
87.00875	0.2
88.04091	0.2
94.98089	0.3
95.95261	0.6
96.96021	88.8
97.95943	0.3
98.19942	0.5
98.20609	0.3
98.95613	0.3
99.00912	0.2
101.02449	1.8
112.34534	0.1
113.02444	0.5
121.02953	0.5
122.97598	1.0
129.01955	0.2
131.03467	0.2
134.03731	1.6
134.20486	0.2
138.97118	1.3
150.97058	0.6
151.00456	0.3
152.98654	5.6
164.98665	0.2
177.09290	0.2
180.98143	1.9
194.37849	0.2
194.99760	0.2
197.01224	0.2
199.10025	0.2
221.08192	2.5
241.00227	100.0
242.00510	4.2
255.02957	0.2
270.99728	0.2
271.02319	0.8
298.39417	0.2
300.02698	0.7
301.03424	0.4
325.05908	0.3
331.24930	0.3
398.16034	0.2
463.09076	13.5
463.16257	3.7
464.09332	1.7
464.16299	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
57.74363	0.4
59.01377	5.9
61.98833	3.6
63.82054	0.3
70.88724	1.0
71.01388	1.9
71.04996	0.8
73.02966	0.5
75.00856	0.5
79.95730	3.4
80.96523	0.9
83.01414	0.4
85.02962	1.7
87.00876	0.4
88.68659	0.4
94.98092	0.5
95.01400	0.4
95.95253	0.9
96.96021	90.9
97.95943	0.6
98.20177	0.7
101.02448	2.3
106.84834	0.3
113.02457	0.8
121.02998	0.7
122.97612	1.5
134.03699	0.5
138.97086	1.1
150.97086	0.5
151.00388	0.5
152.98639	5.7
157.42606	0.4
174.10376	0.4
180.98164	1.9
219.00760	0.4
221.08234	1.4
241.00227	100.0
242.00505	3.6
255.71689	0.4
271.02469	1.1
299.01862	0.6
300.02789	1.9
301.03418	0.7
349.99133	0.4
463.09048	9.7
463.16388	8.3
463.23578	0.6
463.25708	0.6
464.10052	0.7
464.17044	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.088
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
63.02404	0.6
65.00322	0.9
77.27564	0.4
79.57764	0.3
80.45370	0.3
83.01397	0.8
91.01893	0.5
95.03065	0.3
96.96000	0.6
107.01399	3.4
108.02206	1.9
109.02974	1.8
121.02981	2.1
124.01720	0.6
125.02393	0.5
129.00262	0.4
135.00928	0.7
146.03726	0.4
148.01689	1.8
151.00391	12.2
155.10799	0.5
159.04626	0.4
163.00426	3.0
164.01115	0.9
169.01486	0.5
178.99852	6.2
187.03943	0.8
190.99803	0.5
192.00577	0.6
199.03998	1.3
201.05646	0.7
203.03514	0.5
211.04030	1.5
215.03520	0.8
216.04312	0.5
226.02724	2.7
227.03488	3.2
228.03923	0.4
229.05095	0.9
229.67287	0.4
243.00453	0.4
243.02983	13.1
244.03522	1.6
245.04596	1.9
254.02199	3.1
255.02965	29.9
256.03433	3.2
257.04578	0.8
271.02451	67.6
272.02835	9.0
273.03867	1.2
283.02414	1.3
299.01987	1.2
300.02747	100.0
301.03445	44.8
302.03845	3.5
311.07706	0.3
317.03186	0.4
377.04340	0.4
463.08780	48.8
464.09055	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	461.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04088	0.2
59.01380	100.0
60.01711	1.2
61.98837	1.1
70.52405	0.3
71.01383	0.4
71.73179	0.3
78.95927	0.3
91.04033	1.3
96.96033	0.5
142.64162	0.3
157.14308	0.3
201.47696	0.3
205.03624	0.5
270.01797	0.4
271.02679	0.3
307.09744	0.3
327.28989	2.6
328.29471	0.4
369.24457	0.6
387.25409	2.6
415.32571	0.3
461.07571	0.7
461.29556	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	462.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.3
59.01383	4.0
61.98833	100.0
69.42262	3.0
71.01395	1.0
75.00862	0.3
78.95915	0.7
79.95744	0.5
85.02970	1.2
95.95235	0.4
96.96024	6.0
98.95638	0.6
99.00912	0.3
101.02445	0.4
103.59706	0.3
111.16526	0.2
113.02460	0.4
115.26434	0.3
124.01749	0.2
130.28319	0.2
152.99626	0.4
155.33009	0.2
177.08624	0.3
178.99854	0.4
241.00270	0.5
255.03101	0.3
271.02335	1.4
299.02060	0.7
300.02692	2.2
301.03497	0.6
329.23398	0.8
418.17722	0.4
462.08450	0.3
462.16156	0.8
463.09277	2.3
463.16632	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32985	0.4
57.03475	1.1
59.01377	7.1
61.98865	0.8
63.02449	1.8
63.38860	0.4
64.57273	0.4
65.00375	2.0
65.09294	0.4
66.85234	0.4
70.07001	0.4
70.88013	0.5
70.88417	0.4
71.01096	0.4
71.01440	1.9
71.72974	0.7
73.02978	0.8
74.02505	0.6
79.95739	2.3
80.96525	0.5
83.01388	2.4
85.02961	3.2
87.00937	0.6
89.02499	1.0
92.73128	0.4
93.03538	0.6
95.01453	0.9
95.95250	2.4
96.96021	18.4
98.95636	0.6
101.02503	0.9
104.03557	0.7
107.01395	4.3
108.02248	1.0
109.03030	1.4
111.00942	0.9
113.02514	0.7
117.92221	0.4
119.05121	0.5
121.02996	0.6
123.00961	0.9
124.01681	4.5
125.02484	3.2
125.34167	0.4
129.02017	0.9
133.03046	0.5
134.03877	0.5
135.04596	0.9
136.01793	0.7
137.02495	1.5
138.97169	0.6
139.00415	0.5
143.05138	0.5
145.03061	0.8
147.00992	0.6
149.99641	0.7
151.00391	16.6
151.98007	0.5
152.01175	7.8
153.01875	0.5
155.10786	10.0
156.11250	0.6
158.03810	1.0
159.03383	0.5
159.04512	0.9
161.02496	0.9
163.00395	2.0
163.04054	0.6
164.01175	5.6
165.01790	0.6
169.01538	2.0
169.02789	0.5
171.04582	1.5
173.02441	1.0
174.03244	0.7
174.05804	0.6
175.04034	1.5
177.02000	0.4
178.99866	10.4
179.01303	0.7
180.00253	0.8
181.12340	0.8
183.04482	1.1
185.02553	0.7
185.16331	0.4
186.03264	1.4
187.04100	1.9
188.04843	0.6
189.01956	1.6
189.05455	0.5
190.99974	0.8
191.02037	1.1
192.00621	2.3
193.01398	0.7
198.03207	0.8
199.03993	3.5
199.09749	3.3
200.04752	0.7
201.01965	1.5
201.05667	0.8
202.02769	0.7
203.03503	1.0
205.01474	0.8
209.03038	0.5
211.03986	0.6
213.01918	0.8
214.02710	3.0
215.03494	4.1
216.04181	3.1
217.01486	0.6
217.05075	1.9
225.14948	1.6
227.03503	7.1
228.04146	1.5
229.01451	0.7
231.02954	1.2
232.03822	0.6
241.01605	5.3
242.02208	6.1
243.02960	7.7
244.03735	4.6
245.00882	3.5
245.04431	2.6
246.01559	0.8
255.02962	5.2
256.03528	0.7
256.99792	0.9
257.04599	0.5
259.02432	0.5
270.01663	9.5
271.02448	39.0
272.03159	19.6
273.03952	6.1
280.08020	0.5
283.02139	0.7
287.01941	1.2
288.02649	1.3
289.03824	0.4
298.01184	7.7
299.01956	63.7
300.02466	9.9
301.03522	3.3
311.02112	0.8
316.02246	21.9
317.02997	15.8
318.03198	1.0
318.92276	0.4
331.13870	2.7
419.10196	2.7
420.10269	0.5
445.07764	9.4
446.08023	1.2
463.08600	100.0
463.16812	3.3
464.08951	12.4
464.17993	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84022	0.9
55.01884	2.1
57.03442	6.8
58.00594	2.0
59.01381	69.5
60.11524	1.1
61.98827	1.4
69.03481	1.2
71.01391	51.8
71.05056	1.2
71.72646	1.5
72.99313	3.0
73.02956	18.4
73.97711	0.9
75.00883	4.1
79.95732	5.0
81.03458	2.6
83.01393	6.8
83.05034	1.1
85.02960	26.1
87.00899	4.1
89.02454	26.1
95.01418	6.3
95.05058	1.5
95.95219	2.2
96.02177	1.1
96.96025	29.4
97.02983	2.4
97.06625	1.5
98.95594	1.4
99.00900	5.1
99.04526	3.9
101.01780	1.8
101.02459	35.1
107.01411	1.0
107.05061	1.4
109.02956	1.7
109.06640	1.2
111.08127	0.9
113.02470	24.1
113.06235	1.1
119.03521	11.1
120.01270	1.8
123.04541	3.1
125.02470	2.7
125.06115	4.9
129.01962	1.8
137.06091	1.0
137.09775	1.8
139.07657	1.8
143.03514	3.9
143.04573	1.1
149.02484	1.1
149.04530	1.2
151.00351	2.1
151.11328	1.4
153.09134	1.0
159.03000	2.8
161.04584	20.2
162.02101	1.0
162.04820	0.9
163.02820	1.5
163.07607	0.9
165.05536	2.2
165.09268	5.3
169.08736	1.4
170.05815	1.0
174.05774	1.1
177.12892	1.2
179.05664	4.0
179.10767	9.1
180.11099	0.9
181.08725	14.0
182.08986	1.1
191.02032	2.8
193.12466	1.0
203.10844	3.0
206.09462	1.2
221.11821	13.6
239.12862	10.3
240.13010	1.0
241.00214	1.7
249.06117	2.2
257.01083	5.9
258.01611	1.1
261.00375	3.4
267.07230	2.9
278.88388	1.1
306.08020	1.3
307.08023	1.7
316.04684	3.2
331.14081	1.4
342.99832	2.0
371.12408	1.1
401.18179	100.0
402.18478	12.8
418.24939	1.4
461.11722	7.0
461.16748	6.0
462.10931	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.8
57.03449	9.3
57.94294	0.9
58.00592	2.7
59.01379	100.0
60.01730	0.8
61.98829	1.7
63.42724	0.8
68.60651	0.7
71.01385	56.6
71.72070	1.6
72.58642	0.7
72.99303	4.3
73.02961	5.8
74.91768	0.7
75.00878	1.7
79.95741	2.1
83.01398	3.3
83.05016	1.0
85.02959	15.3
87.00871	5.1
88.98832	0.9
89.02454	66.1
90.02798	1.0
95.01398	3.6
96.96022	25.6
97.02976	1.0
98.95613	2.6
99.00871	2.5
99.04536	4.1
101.02455	35.5
108.02207	1.7
110.59410	0.8
111.00901	1.2
113.02466	23.2
115.00332	0.8
119.03519	29.2
120.01263	2.8
121.03023	0.8
123.04542	1.8
125.02472	2.7
125.06088	0.8
129.01974	1.1
131.03532	3.5
137.02403	1.7
139.00395	2.9
140.01184	26.9
140.02214	1.4
143.03500	7.6
149.04582	4.5
151.07678	1.4
153.01918	1.5
153.05496	0.9
153.09233	3.0
155.03528	37.9
155.04626	2.4
156.03844	1.3
161.04585	11.6
161.09753	1.1
165.09256	1.9
167.03549	1.6
167.08359	1.0
168.00674	1.1
179.05617	19.2
179.10738	0.8
180.06104	0.8
183.03044	1.0
191.01895	1.5
203.10814	4.9
206.09489	2.9
209.03085	1.0
221.11827	9.2
231.05579	0.8
239.09258	2.4
239.12842	3.2
241.00145	4.5
299.07922	1.3
299.11252	0.8
304.07001	0.9
310.22980	0.7
317.08817	12.6
342.14536	1.1
359.09894	4.5
371.12125	0.9
375.04346	1.0
375.09979	0.7
399.12744	1.7
401.18198	25.2
402.18579	3.1
417.12134	0.8
461.07330	3.2
461.15396	4.2
461.20389	5.7
462.07138	1.1
462.20032	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	461.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51263	0.7
59.01379	49.2
69.49080	4.1
69.49494	2.7
71.01380	0.7
73.02952	1.7
85.02954	2.3
89.76964	0.7
92.80596	0.8
93.77526	0.8
96.96013	4.8
98.19969	2.0
98.20637	1.4
101.02470	0.9
101.82146	0.7
103.00381	1.1
113.02493	0.7
139.11308	1.6
163.11334	0.9
172.41307	0.7
181.12354	100.0
182.12666	5.7
183.10274	1.9
191.01912	0.7
211.13388	0.7
219.05147	0.7
225.11313	17.8
226.11574	2.4
241.07317	1.4
242.02220	0.7
243.12358	3.5
285.13419	24.6
286.13724	1.1
313.16489	2.2
336.22635	0.9
357.15482	1.2
375.16425	0.9
417.09128	0.8
417.17676	15.2
418.17859	1.9
438.20026	0.8
461.06784	1.1
461.20187	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	461.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.1
57.03437	4.0
58.00605	2.2
59.01379	35.7
61.98833	2.3
69.03456	1.5
69.61596	6.2
71.01383	52.4
72.01735	1.1
72.99339	2.0
73.02949	18.5
75.00875	15.0
83.01392	10.1
85.02956	23.6
86.03310	1.0
87.00894	3.2
88.04053	0.9
89.02451	8.4
95.01420	3.3
96.96021	6.8
97.02962	1.9
99.00890	9.8
99.04556	1.0
101.02450	40.9
102.02805	1.4
111.00939	1.0
113.02461	23.2
122.06141	1.7
123.04499	1.0
125.02455	3.4
129.01933	1.9
131.03508	1.4
143.03539	2.2
143.16785	0.9
147.03268	1.3
159.03001	5.1
161.04573	31.4
162.04890	1.0
186.05661	1.3
187.06310	2.2
217.07497	1.7
221.11873	1.1
243.24052	0.8
249.06456	1.1
260.79691	0.9
269.10278	100.0
270.10641	7.2
327.13336	1.2
329.11545	1.5
339.13608	2.2
353.07416	1.5
357.14468	2.7
371.12509	1.7
387.15881	0.9
401.14499	78.9
402.14792	9.4
443.14563	2.5
461.10733	0.7
461.15997	9.2
462.16080	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.9
55.56747	0.3
57.03451	0.9
59.01378	100.0
60.01711	1.2
60.60156	0.3
61.98825	2.9
63.55675	0.3
69.03456	0.6
69.54887	2.5
70.70938	0.3
71.01389	6.0
72.99310	0.7
73.02943	2.8
75.00868	2.2
78.95946	0.3
79.95757	1.3
80.96532	0.3
83.01373	1.6
83.05031	0.6
85.02958	4.7
87.00918	0.6
89.02469	2.0
91.04015	2.0
95.01378	0.5
95.95270	0.8
96.96023	11.0
97.06618	1.4
98.19970	0.7
99.00902	0.8
101.02453	4.1
103.00393	0.7
108.02200	0.4
111.00896	0.6
111.04472	0.3
111.08154	0.5
113.02467	2.5
117.01960	0.4
119.03531	0.7
119.04968	0.3
122.03765	0.4
124.01720	0.4
125.02473	1.9
129.01935	2.0
134.04762	0.4
143.03558	0.6
146.77522	0.3
147.03091	1.1
147.04436	0.3
149.04500	0.4
149.99615	0.6
153.12868	12.4
154.13303	0.7
155.10880	0.4
161.04623	1.3
165.04144	0.4
165.12848	3.7
167.10776	2.6
168.00685	0.9
171.10339	1.1
179.10776	4.4
179.12209	0.4
180.74750	0.3
181.12340	0.4
183.13919	10.2
184.14331	0.4
197.11841	23.3
198.12244	1.2
207.05128	2.0
209.15440	0.6
211.13388	1.8
214.02843	0.4
227.12894	11.8
227.16618	1.2
228.13251	0.7
229.14561	1.3
241.00229	0.7
245.00951	0.7
256.99585	0.4
269.17667	0.4
270.01691	0.8
271.02405	0.8
283.02545	0.4
297.00528	0.4
299.02148	0.9
300.02777	0.3
309.20871	1.1
317.27029	0.5
327.21780	7.9
328.02658	0.4
328.22208	0.7
329.03070	0.5
329.23080	0.5
353.59277	0.4
357.15701	1.4
375.16751	0.8
401.26025	0.6
417.17850	1.5
417.25174	1.1
449.60425	0.4
461.01779	0.5
461.16159	4.1
461.25101	1.3
461.31308	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	461.13
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32454	0.9
55.49097	1.1
57.00959	1.2
57.02979	1.1
57.03452	15.2
57.03714	1.1
58.00577	2.0
58.60198	1.0
59.01376	20.4
61.98804	3.0
66.80016	1.1
70.17199	3.5
70.17609	2.2
71.01385	6.5
73.02911	2.9
75.00831	2.1
78.95905	17.1
79.95702	2.7
83.01351	1.3
85.02962	13.2
87.00878	6.5
89.02412	4.7
95.01338	1.2
96.96022	30.3
96.96942	3.6
99.04525	9.9
101.02470	7.8
109.02855	1.1
110.02440	1.1
111.00800	1.9
111.02046	5.1
111.02628	1.3
113.02399	3.4
117.03385	1.3
120.01196	4.7
121.02989	7.0
122.03663	1.2
123.04520	5.5
125.02345	2.0
137.02367	2.0
138.02002	2.1
139.02354	1.2
140.01204	9.0
141.01837	2.0
145.02847	3.8
147.02979	1.2
149.02461	23.7
149.04427	6.5
149.05624	1.3
150.03242	46.2
150.04298	1.9
151.03474	3.7
153.03056	9.1
154.05090	1.0
155.03535	16.8
161.02339	2.8
161.04576	8.8
162.03111	4.2
164.04810	13.4
165.05580	100.0
166.05774	4.5
177.05409	3.6
179.06911	1.4
180.04213	1.9
191.01874	3.2
195.06622	29.0
196.06927	1.2
207.06259	1.4
209.02931	2.8
222.17918	1.2
237.09727	3.2
241.00034	3.9
249.05873	1.0
253.03043	2.4
273.22946	1.3
299.04407	1.4
309.09409	1.3
317.05087	4.0
317.08563	5.3
340.34955	1.1
359.09677	2.0
369.11896	10.2
370.12045	1.4
375.09473	2.6
399.09247	1.1
461.09213	41.8
461.25400	2.1
462.09549	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22736	0.6
57.03441	2.0
59.01378	100.0
60.01736	0.9
69.03470	0.8
69.52074	5.7
71.01389	3.5
73.02956	2.4
75.00896	0.8
79.95748	1.6
83.01437	1.0
85.02956	5.6
87.22993	0.7
89.02459	1.6
93.03435	0.7
95.95231	0.9
96.96021	12.1
98.19866	0.8
99.04555	0.9
101.02471	2.2
103.00382	3.7
111.00975	0.7
119.05052	0.8
120.99677	0.7
125.02412	0.7
129.01949	2.0
131.03554	0.9
137.02400	0.9
139.11331	1.8
149.04625	1.4
153.05612	0.8
155.10826	2.1
155.83627	0.6
181.12354	92.0
182.12691	5.5
183.10246	3.1
184.11195	0.6
191.01984	1.1
193.03239	0.6
199.09753	1.5
207.13934	1.0
209.11882	1.4
213.14984	2.0
223.13496	0.6
225.11441	15.7
225.14949	39.8
226.11763	0.8
226.15340	2.8
241.01289	0.9
243.12372	7.3
244.12639	0.9
250.69225	0.6
255.00450	0.6
255.02983	15.2
256.03357	1.9
263.29892	0.6
269.13934	8.4
270.01801	1.5
270.14212	0.8
283.02451	11.9
284.03186	2.2
285.13425	29.8
285.16653	1.5
286.13568	3.3
297.04111	2.2
298.04736	2.2
299.02066	0.9
299.05548	1.6
329.12289	0.9
329.16043	17.4
330.16574	1.2
357.15378	1.2
357.19287	1.7
358.92465	0.8
375.16269	1.2
375.20447	1.5
417.17087	8.5
417.21719	2.1
446.08392	3.9
461.10550	16.7
461.20694	6.0
462.11267	3.8
462.20810	1.2
486.59082	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.3
55.08278	0.3
57.03447	0.8
57.25425	0.2
59.01379	12.4
59.01682	0.6
60.01716	0.4
61.98832	1.2
69.03465	0.5
69.46705	2.8
71.01385	3.9
72.99322	0.5
73.02958	0.9
75.00877	1.8
75.67770	0.3
76.66721	0.3
79.79434	0.3
79.95738	7.2
80.96515	1.7
83.01403	0.6
83.05041	0.4
85.02962	2.8
87.00883	0.6
89.02455	1.0
95.01382	0.4
95.95244	7.2
96.96021	100.0
97.95944	0.4
99.00909	0.4
101.02451	1.7
111.00807	0.3
111.04588	0.3
113.02463	1.1
115.03993	0.3
120.01220	0.3
121.02969	23.9
122.03300	0.8
122.97612	0.6
129.01933	0.9
131.03487	0.3
138.01932	0.4
138.97063	2.4
147.00935	0.3
147.88695	0.3
150.97084	1.6
151.00395	0.5
151.03915	0.3
151.97900	0.4
152.98627	0.6
159.03043	0.6
160.04036	0.4
164.98610	0.8
168.98137	0.7
177.04062	6.9
180.98122	0.8
181.12346	0.8
191.02016	0.4
198.99255	0.7
211.13385	0.4
213.00742	0.8
225.00743	1.8
225.11598	0.4
241.00148	5.8
245.01003	0.3
256.99713	4.2
270.01535	0.8
271.02454	0.8
299.01917	0.6
329.23315	0.3
339.07526	5.3
340.07724	0.6
417.63498	0.5
418.13541	0.8
419.13361	0.3
431.13580	0.3
439.14499	0.5
460.32788	0.4
460.63510	0.5
461.11084	85.5
462.05447	0.6
462.11429	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.5
61.98846	0.4
65.00319	0.4
69.57216	2.5
71.01366	0.3
73.02968	0.3
83.01414	0.4
85.02955	0.9
95.95262	0.5
96.96026	2.4
101.02456	0.3
101.43243	0.3
103.00439	0.3
107.01407	0.7
108.02198	0.3
124.01744	0.3
125.02504	0.7
135.00931	0.3
143.05055	0.5
147.03029	0.3
151.00400	2.5
155.05042	0.4
163.00432	0.5
164.01164	0.4
171.04492	0.7
175.04071	0.5
178.99948	0.6
181.12369	1.1
183.04507	0.6
187.04082	0.4
199.04025	5.3
201.02010	1.8
203.03505	0.8
209.36668	0.3
214.02737	0.3
215.03519	5.1
216.04262	0.4
225.01971	0.5
225.11258	0.4
225.14989	0.4
226.02640	0.9
227.03508	5.5
228.03967	0.7
229.01410	1.1
242.02217	10.8
243.02968	46.5
244.03281	4.4
255.02930	4.4
256.03470	0.8
257.04541	13.3
258.04968	1.0
270.01688	13.5
271.02451	51.1
272.02814	4.8
285.04041	24.9
285.06528	0.5
286.04703	9.4
287.05356	1.0
299.01974	17.6
300.02722	13.4
301.03128	1.3
314.04315	55.0
315.05035	37.5
316.05453	3.2
318.03421	0.4
329.16046	0.8
357.06027	1.1
461.10846	100.0
462.11182	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	459.26
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71874	0.3
59.01378	100.0
60.01710	1.4
60.02001	0.3
61.98830	1.5
69.66679	0.4
71.43181	0.9
71.43577	0.4
78.95911	0.6
85.02946	0.6
93.03462	0.5
96.96059	0.6
113.36748	0.4
113.95670	0.4
116.92860	0.7
121.02998	1.0
125.06097	0.8
147.04553	0.9
240.03065	0.4
249.18607	0.9
255.72023	0.4
277.10767	0.8
291.19757	2.1
293.17529	2.5
313.95734	0.4
325.20157	6.8
326.20654	0.9
355.38812	0.4
459.22284	0.4
459.27905	3.5
460.28134	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16911	0.4
53.96225	0.3
57.03452	1.8
59.01095	0.6
59.01379	9.7
61.98828	1.0
62.58320	0.3
68.49354	0.3
69.80810	1.8
69.81219	0.6
71.01386	22.5
71.05024	3.1
71.34814	0.3
72.00901	0.4
72.99317	0.9
73.02950	1.0
73.73112	0.4
75.00865	1.6
79.95735	1.0
80.96510	0.7
83.01399	0.7
83.34045	0.3
85.02959	5.4
87.00883	0.7
88.04050	3.9
89.02454	6.0
91.99154	0.4
95.01386	0.4
95.95263	0.5
96.96020	25.5
98.95609	0.6
99.00892	0.8
99.04519	1.6
101.02451	6.5
105.95985	0.4
111.00887	2.6
111.04452	0.4
113.02440	3.1
116.03532	0.9
116.07195	0.6
116.92878	0.4
119.03508	1.7
125.02438	0.9
128.07179	1.7
129.01982	0.9
129.05560	0.5
138.01981	0.5
138.97089	0.7
140.01213	2.1
144.06723	0.6
146.08243	44.2
147.03085	0.5
147.08626	2.0
149.06056	0.4
150.97083	1.0
155.03548	2.6
155.19980	0.4
161.04541	1.4
165.05617	0.5
179.05682	0.4
185.26239	0.4
191.02000	2.0
200.09254	1.2
209.03018	3.9
218.10335	0.9
228.15111	0.4
241.00241	5.2
263.11224	1.0
284.05200	0.4
297.95651	0.4
308.13516	6.7
317.08841	0.7
343.06998	3.1
358.77225	0.4
362.14514	1.3
375.09778	0.6
380.03003	0.8
380.07477	1.6
380.15625	35.1
381.15921	3.3
425.00375	0.4
459.27780	1.0
460.11285	100.0
461.11719	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	459.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	7.9
59.01377	100.0
61.98849	2.5
66.36854	1.8
70.58797	1.7
71.01382	27.0
71.72819	3.1
73.02950	30.1
75.00888	3.3
79.95760	3.8
83.01408	9.9
85.02957	55.5
87.00900	4.9
89.02439	8.9
96.96022	40.1
101.02451	25.9
107.75107	1.8
109.89042	1.6
111.00898	6.3
113.01761	1.7
113.02441	9.3
119.03534	3.1
119.05068	2.3
121.02985	5.7
129.01956	11.9
131.03517	3.5
145.03046	2.1
147.02997	7.3
149.04596	9.0
161.04575	6.2
173.00964	2.0
179.10828	6.0
191.01974	12.6
216.37080	1.8
219.15263	1.6
223.09698	1.7
223.13390	2.1
241.00307	3.9
267.07376	1.8
271.61493	1.8
283.11826	2.1
285.56021	1.7
313.05634	9.2
373.11978	2.9
459.13934	1.7
459.18903	27.0
459.28186	2.6
472.30774	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	459.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.6
57.03443	1.2
59.01378	100.0
59.20137	0.3
60.01713	1.7
61.98826	2.0
69.03451	0.7
70.30009	0.8
70.30404	1.0
71.01384	11.2
71.01765	0.6
72.99318	0.9
73.02936	3.3
75.00883	0.8
79.95756	0.7
83.01410	1.3
85.02963	6.2
85.05331	0.4
87.00893	1.3
88.04050	0.5
89.02448	4.7
95.01401	1.0
96.96017	9.5
98.20208	0.9
98.95583	0.9
99.00896	1.1
101.02456	7.5
109.03072	0.3
111.00880	0.9
113.02466	6.1
116.92892	0.4
119.03507	1.9
122.03729	0.7
125.02493	0.6
125.06077	0.5
129.01997	0.7
131.03532	0.5
143.03552	0.7
145.36302	0.4
161.04611	2.2
165.12810	0.4
167.03506	0.4
179.05670	1.0
183.13951	1.8
219.22014	0.4
219.85172	0.4
225.15024	1.1
241.00272	1.0
249.06107	0.9
251.12874	0.4
267.16055	0.8
271.75784	0.4
277.10690	0.5
327.21704	2.0
373.22516	1.3
399.24011	4.3
400.24094	0.5
415.23917	1.0
417.24991	3.5
418.25757	0.5
459.13211	1.9
459.18835	1.8
459.27744	1.9
460.13718	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.5
57.03450	5.8
57.77204	0.6
59.01378	36.3
59.93450	0.6
61.98825	5.7
64.58595	0.7
67.01910	0.8
68.99807	0.8
69.03457	2.0
69.28887	0.7
69.54589	6.6
71.01390	19.1
72.99312	5.7
73.02951	2.3
75.00878	14.3
78.95908	1.0
79.95742	4.5
80.96552	0.7
81.03471	0.7
83.01398	2.3
83.05031	1.8
85.02956	31.7
86.03304	2.1
87.00877	5.9
87.03366	1.1
89.02453	3.9
89.63446	0.6
95.01392	5.4
95.95234	2.1
96.96019	43.4
97.02942	1.1
97.06593	1.0
98.20618	1.4
98.95602	5.8
98.96172	0.6
98.96469	0.9
99.00903	9.6
99.04532	0.9
101.02479	3.5
103.00396	2.1
109.06580	1.1
109.98145	0.7
110.09183	0.7
111.00930	1.2
111.08175	2.6
112.82436	0.7
113.02456	25.5
115.00379	1.2
115.07752	0.8
117.02007	3.4
125.02422	0.8
125.06085	1.3
125.33353	0.7
129.01949	2.6
138.97095	3.3
147.03020	1.2
150.97060	0.8
157.01352	1.0
161.04568	0.7
165.12869	20.3
166.13277	1.3
175.02480	2.1
177.04057	1.5
181.12280	0.8
183.13910	100.0
184.14275	7.6
191.01923	1.8
191.10872	1.1
197.11873	0.9
199.95830	0.7
205.07217	3.8
209.11838	6.1
211.13477	0.8
217.06656	4.4
217.08426	0.8
222.42247	0.7
227.12878	10.7
241.00256	11.8
242.00368	1.1
249.06122	3.7
256.99686	3.6
274.80414	0.7
277.10809	1.3
325.20148	1.5
327.21548	0.9
371.12207	4.6
385.11896	0.7
415.19696	60.9
416.20020	7.8
459.08383	12.2
459.18500	70.8
459.27518	4.5
460.07819	2.7
460.18939	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	459.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.2
57.03451	4.2
58.00584	0.9
59.01379	100.0
60.01721	0.9
61.98819	1.0
69.43587	5.2
69.44003	1.4
71.01385	11.3
73.02953	5.6
75.00874	1.1
79.95760	0.9
83.01397	3.2
85.02963	22.5
86.42274	0.6
87.00911	0.9
89.02458	8.0
95.01430	0.8
96.96021	12.9
96.96600	1.1
98.95630	1.4
99.00925	1.0
101.02464	9.0
111.00921	1.4
113.02454	5.6
119.03517	3.3
119.05050	1.4
121.03005	2.7
123.84629	0.6
129.01981	4.2
131.03552	1.3
133.02917	0.7
133.06680	0.9
143.03566	1.1
145.03027	1.3
147.03058	0.9
149.04631	1.4
153.03931	0.8
161.04602	1.8
161.05948	0.7
163.04044	2.5
179.05669	2.8
179.10759	0.9
189.05611	0.7
191.02016	1.0
241.00409	0.8
312.18411	0.8
312.21814	0.7
373.22229	1.0
459.18658	6.2
459.27762	1.0
460.09732	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31124	0.2
57.03447	8.5
58.05544	0.2
59.01377	3.3
70.67522	0.2
71.01371	1.3
71.27603	0.5
72.99317	0.8
73.02948	1.1
79.95746	0.6
85.02961	0.9
87.00870	0.3
88.04063	0.2
89.02451	0.4
93.03461	0.3
95.01407	0.2
95.05067	0.3
96.96023	8.9
98.95610	0.4
99.04540	0.7
101.02455	2.2
103.00368	0.3
108.61638	0.2
113.02495	0.3
115.00377	0.3
119.03585	0.2
119.05111	0.2
121.03004	0.5
122.03767	0.4
123.04539	54.8
124.04846	2.0
125.02469	0.5
130.08765	0.3
135.04500	0.3
143.48225	0.2
153.05592	100.0
154.05927	4.7
159.55614	0.2
161.04539	0.3
164.98668	0.2
168.98047	0.2
195.06622	0.4
197.04868	0.2
217.14268	0.2
239.10989	0.2
241.00191	0.7
266.06335	1.0
297.09848	0.8
315.10852	21.2
316.11246	1.8
357.11917	6.1
358.12338	0.7
373.11752	3.8
374.06311	0.2
374.11856	0.5
379.19806	0.4
386.17673	0.2
397.15054	1.0
415.12766	1.6
459.16217	3.7
460.17847	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.6
57.03443	0.8
59.01377	100.0
60.01717	1.5
61.98843	0.8
69.03465	0.4
70.97373	0.6
70.97720	0.7
71.01381	4.2
72.99342	0.3
73.02959	1.9
75.00887	1.0
75.06917	0.3
78.95899	0.4
79.95749	0.8
83.01422	0.8
84.26958	0.3
85.02961	4.2
87.00909	1.0
89.02476	1.3
93.73096	0.3
95.01403	0.4
96.96021	11.3
99.00922	1.1
101.02443	2.1
103.00385	0.8
111.00882	0.4
113.02441	2.3
115.07693	0.5
119.05103	0.3
120.01284	0.5
121.02979	0.8
129.01981	0.6
147.03035	0.4
149.04581	0.8
161.04590	0.8
181.48457	0.3
191.01863	0.4
207.13907	6.1
208.14267	0.6
225.14978	3.3
241.00301	1.1
251.12973	1.2
267.16006	3.3
268.16559	0.4
269.14105	0.7
271.02454	0.4
300.02991	0.3
307.39050	0.4
311.15015	1.9
327.18167	0.8
327.21899	1.2
329.16034	0.8
358.64639	0.3
371.17212	1.3
399.24219	1.7
417.13028	0.7
417.24918	1.0
459.13339	0.7
459.19153	6.6
459.26904	2.1
460.19629	1.1
460.26895	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	68.9
61.98831	18.3
71.01379	60.4
71.72894	3.7
74.00864	3.5
78.03936	3.9
85.02946	9.8
87.00895	5.7
89.02453	84.6
101.02464	14.2
113.02460	10.2
117.00816	3.6
117.39437	3.7
119.03532	8.9
121.70692	4.1
130.56503	4.3
131.03548	5.4
143.03513	6.3
157.50539	4.2
161.04604	8.9
179.05629	25.1
179.06996	4.2
249.90770	3.8
277.21732	100.0
278.22046	8.3
281.79538	4.0
397.31125	4.8
456.35345	19.2
457.26071	8.2
457.35770	57.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84843	0.2
59.01379	0.5
59.89843	0.2
61.98838	0.5
69.52165	0.8
69.52586	1.7
75.00906	0.3
86.45314	0.2
93.07128	0.3
95.05027	1.3
98.19775	0.3
100.83577	0.2
108.04589	1.3
118.06611	0.4
120.04566	0.9
121.05352	1.6
125.06103	0.3
125.24030	0.3
127.86456	0.2
134.06126	2.6
135.03229	1.2
136.07697	55.9
137.08029	2.7
150.05598	0.3
168.06676	0.6
180.06673	100.0
181.07028	5.1
277.21689	2.6
278.21942	0.5
322.31940	0.6
366.30856	0.4
383.16373	0.2
406.41934	0.2
444.71478	0.2
458.35400	0.3
459.27435	0.9
459.34891	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.6
57.03435	1.0
59.01381	16.4
60.47981	0.6
66.68101	0.6
71.01387	13.3
71.71254	1.0
72.99305	1.5
73.02950	44.8
74.02480	0.7
74.03284	0.9
75.00858	0.6
78.95922	0.6
85.02965	6.9
87.00887	1.9
89.02449	15.1
93.68851	0.5
95.01402	0.6
96.96015	7.0
96.96966	1.0
99.00890	4.9
99.92606	0.8
101.02451	6.2
101.39929	0.6
103.00413	0.6
113.02456	5.1
116.92874	8.4
117.01953	100.0
117.92887	0.9
118.02308	1.9
118.05131	4.3
119.03506	5.4
123.04468	0.5
126.50953	0.6
131.03513	1.5
143.03555	1.5
147.03015	0.8
147.04514	1.3
149.04578	6.8
153.01822	0.7
161.04590	2.4
165.04120	0.9
179.05617	8.7
191.01944	2.2
191.03577	1.9
209.02921	0.6
241.00195	1.6
267.07086	0.6
341.10910	25.1
342.11230	1.2
343.07529	0.6
399.14999	0.8
444.05020	0.6
459.11224	3.3
460.11557	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	457.208
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97490	1.0
55.01867	0.9
55.23927	1.0
57.03430	1.7
58.96902	0.9
59.01381	100.0
60.01704	1.3
61.98820	2.6
71.01385	11.1
72.99342	1.0
73.02956	7.4
75.00882	1.9
79.95734	2.9
81.95309	1.0
83.01379	1.5
85.02954	5.4
87.00883	1.5
88.15555	0.9
89.02463	7.9
95.95245	1.9
96.96023	36.4
98.95601	17.6
98.96431	2.9
99.04520	1.2
100.96062	1.5
101.02460	10.0
113.02491	6.8
115.05162	1.6
119.03519	3.3
125.02477	1.3
130.08740	2.9
131.03482	1.5
149.04565	1.1
152.03539	1.6
161.04565	2.4
165.04108	1.8
179.05663	1.4
181.49901	0.9
186.85217	1.1
205.12408	1.6
229.65593	1.1
241.00163	2.6
254.07309	1.0
299.56528	1.0
366.09818	1.2
413.24091	2.0
457.18777	44.3
457.25037	7.7
458.18765	3.6
458.25143	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	457.208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.2
57.03448	13.9
58.00594	0.4
59.01092	0.6
59.01379	9.5
61.98829	0.9
68.99817	0.5
70.92361	0.9
71.01389	3.6
72.69576	0.3
72.99312	1.3
73.02959	1.0
75.00877	1.2
76.16421	0.3
79.95760	0.8
80.96544	0.4
83.01387	2.9
84.02168	2.4
85.02959	100.0
86.03294	2.5
87.00886	1.2
89.02451	0.6
96.96022	11.8
99.00903	0.4
101.02460	1.1
103.00365	1.5
111.00902	4.4
115.00383	0.6
129.01959	10.9
132.79922	0.3
147.03015	12.9
148.03319	0.4
149.97800	0.3
173.00885	2.7
191.01990	44.7
192.02272	1.7
209.03084	2.1
211.13361	0.3
221.15504	0.5
236.08916	0.3
241.00227	0.6
247.17041	0.6
265.18091	1.2
337.62744	0.3
369.12244	4.5
371.13651	0.8
386.85873	0.3
397.22211	0.4
413.14557	0.5
415.23444	0.4
431.21988	0.3
439.19781	0.8
457.17310	4.6
457.21295	3.4
458.16708	0.6
458.21832	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.175
Annotation	Neotrilobine
Peak:m/z	Relative Intensity
55.01889	0.3
57.03450	0.3
59.01379	8.9
59.52533	0.2
59.59105	0.2
61.98833	1.0
68.86980	0.2
69.03468	0.3
71.01385	2.8
71.28661	0.6
72.99321	0.8
73.02947	1.2
75.00876	0.5
79.95745	5.6
80.96523	2.3
83.01406	0.7
85.02956	2.0
87.00885	0.5
87.04511	1.2
89.02476	0.5
95.95238	3.8
96.96021	100.0
97.02959	0.2
97.95974	0.3
98.95599	0.6
99.00879	0.5
101.02435	1.5
111.00870	0.2
113.02483	1.0
119.03520	0.2
122.97599	1.2
123.00488	0.2
129.01936	0.4
134.76849	0.2
138.97087	2.0
141.95819	0.5
150.97075	1.9
152.98631	0.5
160.86394	0.2
161.04504	0.4
164.98595	0.9
167.03561	0.2
168.98157	0.4
177.03963	0.7
180.98123	1.4
198.99106	0.5
204.59857	0.2
213.00674	0.2
225.00737	1.5
241.00224	6.1
242.00652	0.2
256.99728	1.1
281.20926	0.2
340.09879	0.2
369.12207	1.6
371.13333	0.5
412.76489	0.2
413.14832	1.6
415.22910	0.3
457.16901	87.2
458.17255	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	457.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.3
55.72596	0.7
57.03448	6.0
58.00586	1.2
59.01381	49.9
61.98827	3.0
67.01888	1.4
68.99807	1.7
69.03460	1.9
69.45007	6.4
71.01389	33.3
72.01726	0.8
72.99314	9.1
73.02954	10.7
75.00878	24.2
79.95762	3.2
80.96510	1.1
81.03451	1.3
83.01411	3.5
83.05058	1.8
84.02159	1.3
84.47545	0.6
85.02959	43.0
87.00879	12.2
88.02940	0.6
89.02452	9.7
93.03459	0.8
95.01398	8.3
95.05035	2.7
95.95269	1.5
96.96024	57.4
97.02962	2.3
98.95609	3.5
98.96502	0.7
99.00897	15.5
99.04536	2.0
101.02470	5.3
103.00379	4.4
107.05008	1.2
107.08678	1.4
109.06602	2.6
111.00890	2.1
113.02470	40.5
114.02791	1.1
115.00383	3.0
117.01945	5.1
119.03505	0.9
121.06587	2.2
125.02530	0.8
127.03998	2.0
129.01945	3.2
130.08820	0.7
131.03506	1.6
135.08197	0.8
138.97093	2.4
139.00410	0.9
145.10231	1.0
157.01451	1.6
161.04642	1.3
161.09813	0.8
163.10022	1.3
163.11310	17.4
164.11591	0.7
175.02490	5.4
181.12358	28.3
182.12619	1.6
184.05977	0.6
186.01947	1.2
187.06177	1.2
193.03561	4.6
198.99214	0.9
205.07187	1.2
207.10265	7.1
218.04620	2.8
222.99837	0.7
225.11349	8.0
241.00278	3.3
249.06122	4.0
256.99634	1.6
267.06995	0.7
278.51349	0.7
350.50104	0.7
371.12573	1.3
397.14954	0.7
413.18204	25.9
414.18347	2.4
415.23111	1.2
439.16824	2.4
457.16232	100.0
457.22141	21.3
458.16669	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40939	0.2
52.34114	0.2
55.01879	0.5
57.03446	0.7
58.00588	0.6
59.01378	100.0
60.01720	0.7
61.52263	0.2
61.98837	1.3
65.53754	0.2
65.77906	0.2
69.03437	0.5
71.01383	12.9
72.99330	0.7
73.02950	9.2
75.00892	0.8
75.09023	0.2
79.95751	0.9
83.01398	2.0
85.02964	3.6
87.00896	0.6
89.02454	7.3
95.01414	0.8
95.95251	0.3
96.96018	12.9
98.95621	4.2
98.96445	0.7
99.00903	0.7
101.02451	10.2
113.02454	5.6
119.03512	2.6
119.05038	0.3
121.02913	0.3
129.01991	0.4
131.03532	1.2
135.04549	0.4
143.03525	1.0
145.02974	0.2
149.04601	0.9
153.09262	0.9
155.10872	0.3
161.04559	2.0
163.04041	0.8
165.04092	0.5
165.50050	0.2
177.02020	0.3
178.06357	1.0
179.05701	0.8
193.08667	1.3
205.12372	0.4
223.13445	0.3
241.00322	0.6
243.15755	0.3
359.80026	0.3
366.09933	1.0
371.12137	0.2
377.22000	0.4
391.12521	0.8
391.62689	0.3
397.22641	0.3
415.23489	0.3
439.10791	0.7
440.10779	0.5
457.16742	7.1
457.25058	0.6
458.17502	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.5
57.03450	4.9
59.01377	47.4
59.54008	0.8
61.98828	3.3
68.99777	0.7
69.03466	1.1
69.40431	9.3
71.01382	21.7
72.99322	4.1
73.02946	6.4
75.00878	14.6
79.95756	5.1
80.96529	2.1
83.01402	3.6
83.05062	1.1
85.02956	29.7
87.00884	6.7
87.04533	1.3
89.02449	6.0
95.01400	5.7
95.05028	2.5
95.95259	1.5
96.96020	90.9
97.02973	1.8
98.20039	3.5
98.95610	2.8
99.00912	6.7
99.04546	1.6
101.02438	6.9
103.00384	3.2
108.30786	0.7
110.06151	1.5
111.00921	1.0
113.02460	26.2
114.40569	0.7
115.00388	2.2
116.05091	1.0
117.01965	3.0
119.03471	1.1
122.06133	6.1
122.97596	0.9
123.08176	1.5
125.06043	1.0
127.04043	2.0
127.06544	0.9
129.01958	2.5
131.03491	1.8
135.04614	0.8
138.97090	3.3
147.02939	1.2
149.04547	0.9
150.97174	1.3
157.01447	1.4
158.02466	1.0
160.04047	1.3
161.04645	1.3
163.11296	5.0
175.02524	3.0
180.98167	1.7
181.12349	7.5
183.13898	1.5
186.01976	22.6
186.05658	1.1
187.02550	2.5
187.06113	1.4
188.03552	1.8
193.03560	2.4
198.99124	1.1
205.07210	1.0
207.10231	1.5
214.12366	1.1
218.04573	35.6
218.06688	1.8
219.01828	1.4
219.05194	3.5
225.11270	7.3
230.11748	1.2
234.10884	0.9
241.00220	5.0
249.06158	2.9
249.18701	1.1
256.99750	2.4
258.11325	3.1
267.07132	1.1
273.10004	1.4
274.10822	2.3
291.11450	1.3
292.12097	1.1
305.12714	4.5
309.08740	0.8
309.24142	1.2
327.09842	1.1
327.25345	6.1
328.25833	1.1
349.11783	2.5
371.24463	1.3
383.19717	3.0
395.19931	5.6
397.75998	0.9
413.18173	4.0
413.25531	1.4
413.65143	1.3
414.18646	1.1
415.23535	1.5
427.18793	2.8
439.18814	18.0
440.18863	2.5
457.16617	38.3
457.20880	100.0
458.16882	5.9
458.22290	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.9
55.29059	0.4
57.03448	5.4
58.00584	0.7
59.01380	31.0
61.98821	1.3
66.34206	0.5
67.01884	1.2
68.99815	1.5
69.03450	1.4
69.59396	3.0
69.59823	1.4
71.01385	27.7
72.99312	8.2
72.99689	1.0
73.02948	5.4
75.00877	22.9
76.83010	0.5
77.70943	0.5
79.95744	2.0
80.02683	1.3
80.96545	0.8
81.03471	1.1
83.01388	3.3
83.05025	0.9
85.02959	34.7
85.19713	0.5
86.03311	0.9
87.00879	10.7
89.02451	7.2
93.03511	0.6
95.01393	8.2
95.05049	5.2
95.95244	1.0
96.96022	29.2
97.02966	1.2
98.95620	1.4
99.00890	16.2
99.04533	1.9
99.82314	0.6
100.01199	0.8
101.02459	3.1
103.00397	3.1
107.05027	1.4
107.08719	0.9
109.02943	0.5
109.06607	1.7
111.00878	1.8
111.04560	0.6
113.02461	35.2
114.02775	0.9
115.00372	2.5
115.04051	0.6
117.01958	5.0
120.01260	0.7
121.06607	1.3
122.06104	1.6
123.08186	0.6
127.04016	2.8
127.91099	0.5
129.01926	2.6
131.03519	1.1
138.97108	1.0
145.05124	0.7
150.97047	0.7
152.52829	0.5
157.01454	1.4
161.09839	1.2
163.11319	9.8
175.02507	4.5
181.12364	25.3
182.12695	1.5
186.01962	8.5
187.02609	0.8
187.06160	1.7
188.03568	1.1
193.03470	1.1
205.07193	1.1
207.10260	1.4
218.04597	14.2
219.05057	1.3
225.11340	18.2
226.11693	0.9
231.05130	1.0
241.00250	1.6
249.06129	8.4
251.04568	0.6
256.99786	1.0
258.11298	1.3
273.10260	0.6
274.10931	0.7
305.12671	1.5
383.19693	1.4
395.19696	2.1
397.14938	0.7
413.18155	20.0
413.64951	0.8
414.18634	2.4
427.18552	0.8
439.18942	6.8
440.18848	1.0
457.16492	100.0
458.16870	15.0
475.75278	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76772	1.4
55.01875	4.0
57.03444	10.5
59.01380	28.8
59.70415	1.7
61.98824	4.2
68.99851	1.4
69.03469	1.9
70.91685	5.1
71.01386	21.8
72.99313	2.4
73.02941	5.5
75.00890	2.1
79.95746	4.9
80.75641	1.4
80.96529	2.3
83.01382	6.2
85.02956	24.0
87.00901	6.3
89.02446	12.2
93.03458	8.7
95.01398	2.8
96.96020	83.3
97.02984	2.0
98.19943	1.8
98.95592	4.0
99.00906	2.8
99.04544	2.6
101.02437	15.6
109.02966	2.3
111.00906	5.4
113.02451	19.6
115.26123	1.5
116.92917	2.2
117.03472	11.0
118.05153	3.1
119.03533	5.8
119.05025	24.1
120.01302	2.0
121.02991	1.8
125.06012	1.6
127.04105	1.7
129.01961	3.8
131.03531	2.8
132.05873	1.9
133.02979	3.2
133.06612	100.0
134.03722	2.1
134.06947	5.1
135.04549	4.2
138.97110	3.2
143.05040	2.3
145.02972	65.6
145.06573	4.5
147.04613	2.8
149.06137	3.2
156.05774	1.5
157.06647	2.8
159.04517	8.2
161.04692	3.0
161.06099	9.3
163.04013	9.5
169.06569	2.9
171.04524	3.5
171.08264	2.8
172.05399	4.7
173.06096	13.5
175.04085	3.0
175.07755	3.0
177.05643	3.6
182.86755	1.4
185.06090	5.0
187.03987	4.1
187.07675	5.9
189.05431	2.5
189.09274	6.4
191.07140	7.6
197.06084	4.4
198.99219	2.4
199.07645	6.2
200.04840	1.9
201.05618	1.8
203.07150	19.8
205.05043	12.5
214.06409	6.2
215.07152	33.9
215.09201	3.6
216.07481	3.5
217.05173	2.8
219.06674	5.6
233.08191	49.0
234.08609	3.4
235.06055	2.0
241.00232	20.6
247.06050	16.2
259.06073	21.7
260.06546	1.9
265.07172	3.0
265.13016	3.4
277.07254	16.3
303.07361	4.7
363.19705	1.7
395.13565	19.1
396.13864	1.6
397.11493	14.0
397.16690	2.8
413.11462	2.4
427.12561	3.3
439.12546	28.9
440.12601	5.7
457.13934	56.7
458.14444	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	457.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	5.1
57.03445	8.9
59.01381	19.3
61.98812	1.0
69.03464	1.8
71.00963	3.1
71.01378	16.7
73.02943	4.3
75.00875	0.9
75.25913	1.0
79.37921	1.0
79.95731	1.3
83.01402	3.6
85.02960	15.2
87.00885	4.0
89.02447	10.4
91.58865	0.8
93.03474	6.9
95.01395	3.0
96.96016	22.3
97.02917	2.3
98.95619	1.3
99.00877	2.8
99.05636	0.9
101.02443	10.8
109.02950	2.7
111.00883	4.1
113.02465	19.7
117.03466	12.0
119.03521	3.1
119.05041	22.6
120.01334	1.1
120.05357	1.3
121.02985	2.0
123.00871	1.5
123.04576	1.4
125.06170	1.1
125.81097	1.0
127.04034	1.0
129.01955	1.5
131.03470	2.3
132.05757	1.3
133.06610	100.0
134.06944	5.2
135.04486	3.0
138.93730	0.9
138.97067	1.3
139.04036	1.9
143.05023	1.5
145.02971	71.5
145.06606	3.7
146.03322	3.5
147.04539	2.1
149.06085	2.4
156.05797	1.2
157.06573	2.0
159.04497	8.5
159.08203	2.0
161.04564	3.5
161.06079	9.8
163.03961	3.3
169.06578	1.3
171.04547	4.5
171.08163	3.3
172.05322	5.4
173.06097	13.9
175.04012	3.0
175.07671	2.7
177.05592	4.9
179.05637	1.3
180.19350	0.9
185.06064	6.7
187.04001	4.0
187.07660	8.3
189.05571	3.0
189.09279	5.5
191.03438	1.3
191.07146	4.0
197.06108	5.4
199.07620	7.4
200.04807	2.1
201.05641	1.7
203.03427	1.5
203.07159	20.1
205.05063	5.2
214.06398	5.1
215.07124	38.9
216.07431	2.7
217.05145	1.6
218.05811	2.1
219.06573	5.1
233.08189	46.7
234.08522	4.9
236.06929	1.5
241.00266	3.2
247.06113	16.1
248.06427	1.7
251.09224	4.8
259.06122	29.0
260.06400	2.5
265.07114	3.6
265.12790	1.3
277.04144	0.6
277.07147	19.4
278.07465	1.8
377.12378	2.1
377.18088	1.6
395.13480	23.9
396.13812	4.0
397.11533	2.3
397.16998	2.5
427.12561	1.6
439.12476	29.1
440.12680	3.1
457.14127	16.4
458.13568	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	5.2
57.03440	7.7
59.01376	21.8
59.75209	1.1
61.98831	3.1
62.19994	1.2
69.03454	2.2
69.74045	9.5
71.01382	18.4
72.99311	2.0
73.02956	2.9
75.00858	2.1
77.02510	1.2
79.95722	3.2
80.96508	1.3
83.01390	4.7
85.02961	15.5
86.03258	1.3
87.00893	3.2
89.02454	11.7
93.03475	8.3
95.01410	2.1
95.05038	1.5
96.96024	50.1
97.02923	2.2
98.95609	2.2
99.00887	3.3
101.02464	13.0
109.02923	1.6
111.00904	5.1
113.02460	16.8
117.03465	8.9
118.05079	1.4
119.03591	2.6
119.05038	19.4
120.05380	1.1
127.04019	1.7
129.01952	1.6
131.03514	2.7
133.06610	100.0
134.03719	1.2
134.06947	5.5
135.04535	3.3
138.97078	2.3
145.02966	55.8
145.06595	2.9
146.03267	2.6
147.04503	2.2
149.06085	2.9
159.04527	6.6
159.08195	1.9
160.05228	1.8
161.04742	2.0
161.06097	7.4
163.04013	5.2
163.07750	1.6
169.06602	1.6
171.04543	4.4
171.08122	2.6
172.05309	4.4
173.06096	14.0
175.04001	3.0
175.07648	2.2
177.05629	3.6
179.05701	2.1
185.06029	6.4
187.03969	3.9
187.07646	9.1
189.05582	2.2
189.09196	6.1
191.01901	2.3
191.07079	5.5
193.05022	2.0
197.06090	4.8
199.07677	4.8
200.04779	1.5
201.05568	1.6
203.07132	17.3
205.05084	4.4
214.06395	5.6
215.07126	35.2
215.09180	1.4
216.07526	3.5
219.06622	5.5
233.08180	45.8
234.08562	3.7
241.00233	17.0
247.06078	15.6
248.06616	1.3
259.01474	1.6
259.06110	22.2
260.06406	1.9
265.07162	3.1
265.12958	1.9
277.07166	18.7
353.12491	2.4
371.06644	3.1
395.13531	21.3
396.13779	2.9
397.11478	5.4
397.16888	2.6
397.47766	1.2
427.12360	2.1
439.12433	28.5
440.12698	3.7
457.13916	36.8
458.14090	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	455.2652
Annotation	Dendronpholide L
Peak:m/z	Relative Intensity
57.03434	5.6
59.01379	11.2
61.98838	3.4
65.05348	1.3
68.99819	1.5
69.03440	1.4
71.01384	30.1
72.99316	3.3
75.00878	70.1
78.95894	3.4
80.53144	1.4
83.01409	1.9
85.02960	17.3
87.00892	12.3
87.01765	1.2
89.02456	3.9
97.02973	2.7
99.00867	5.8
99.92606	1.3
101.02448	2.6
107.51426	1.5
109.04786	1.2
111.00886	1.8
115.92052	2.9
129.01947	16.6
141.01979	2.7
159.02982	6.3
177.04068	60.6
178.04379	2.1
190.10803	1.5
195.05045	2.3
255.23273	2.9
256.23611	6.5
257.23920	4.1
258.24219	4.8
277.18808	2.6
277.21710	45.6
278.21973	4.5
334.18933	1.4
419.24390	2.2
455.26474	100.0
455.35236	10.8
456.26819	14.4
456.33685	1.7
456.35516	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	455.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.9
57.03444	3.2
58.00587	1.2
59.01379	23.2
61.98830	1.3
67.01888	1.2
68.99823	2.4
69.03452	3.0
69.63312	3.1
71.01385	18.8
72.98923	0.6
72.99309	5.7
73.02960	2.1
75.00879	19.0
79.95749	5.6
80.96532	1.3
81.03461	1.0
81.95332	1.1
83.01381	1.3
83.05025	0.4
84.02187	0.4
85.02960	18.1
87.00886	7.4
89.02453	5.1
91.04011	0.4
93.03475	0.8
93.07121	0.5
95.01407	4.7
95.95246	0.8
96.96023	79.8
97.02983	1.0
97.95954	1.1
98.20226	1.5
98.95606	18.5
98.96438	3.5
99.00894	9.8
99.04534	0.4
101.02435	2.0
103.00378	2.1
109.02969	0.6
111.00888	1.2
111.04562	0.4
113.02464	22.6
114.02819	0.6
115.00382	1.6
115.04060	0.4
117.01958	3.3
122.97624	1.9
123.04554	0.5
127.11311	1.7
129.01953	1.7
130.99872	0.5
131.03516	0.5
138.97128	1.8
149.04597	0.7
150.06905	3.2
150.97110	0.5
151.07178	0.5
157.01437	1.0
161.12177	0.4
161.13316	2.3
175.02501	2.4
180.98210	0.6
185.00926	0.9
199.13399	9.9
200.13715	0.5
205.12344	37.9
206.12700	2.8
207.05070	0.9
231.05038	2.5
241.00185	3.1
242.00566	0.6
249.06151	35.0
250.06494	2.0
267.07193	32.1
268.07431	2.0
311.11740	1.7
323.11722	0.8
355.70035	0.4
375.20297	1.1
400.14035	0.5
437.17758	0.7
438.18439	0.4
449.17834	0.4
455.09802	6.5
455.18872	100.0
456.11151	1.8
456.19315	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	455.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.3
57.03438	0.6
59.01098	0.5
59.01379	7.9
60.01686	0.2
61.98823	1.1
69.03446	0.6
70.57745	0.3
71.01382	3.0
71.73289	0.4
72.99306	0.6
73.02951	1.2
75.00867	1.0
78.95943	0.3
79.95748	4.3
80.96516	1.5
81.95320	0.9
82.98090	0.3
83.01388	0.5
85.02957	2.5
87.00868	0.7
88.41690	0.2
89.02457	0.9
95.01404	0.4
95.95243	2.3
96.96023	83.3
97.94812	0.7
98.95605	6.3
98.96440	1.3
99.00893	0.6
99.04554	0.4
101.02450	1.9
103.00377	0.6
106.06622	0.3
113.02467	1.2
115.92104	0.4
119.03559	0.3
119.05063	0.4
122.97603	0.6
126.99616	0.3
129.01949	0.3
137.02457	0.3
138.97041	1.4
141.06717	0.4
142.73375	0.3
143.03468	0.3
150.17117	0.3
150.97098	0.9
152.96567	0.3
152.98645	0.6
164.98589	0.4
177.04007	0.6
180.98146	2.0
225.00896	0.3
241.00221	4.3
242.00656	0.5
243.00125	0.4
249.06248	0.4
256.99777	1.0
267.07248	0.5
300.02734	0.3
311.04376	0.3
328.63077	0.4
369.12259	6.4
370.12701	0.8
375.20184	0.6
411.13260	2.7
412.13776	0.5
413.14810	0.3
413.21835	0.3
454.67151	1.0
455.19485	100.0
456.19958	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	455.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38754	0.5
55.01877	0.6
57.03453	3.7
57.06898	0.5
58.00594	0.9
59.01379	23.7
61.98819	1.6
64.72488	0.5
67.01900	0.9
68.99821	1.3
69.03462	2.1
69.57513	2.8
69.57939	1.8
71.01386	18.7
72.50487	0.6
72.99310	6.2
73.02954	2.6
75.00877	19.3
75.01303	1.2
79.95744	5.1
80.96524	1.7
81.03464	1.0
81.95319	1.1
83.01381	1.3
85.02965	20.5
87.00874	6.4
89.02448	4.5
91.04024	0.9
93.03487	1.6
95.01388	4.3
95.95267	1.0
96.96023	80.4
97.02953	0.9
98.95605	15.3
98.96445	3.0
99.00892	10.2
101.02433	1.4
103.00381	2.5
109.25796	0.5
111.00880	1.5
113.02467	24.4
114.35406	0.6
115.00391	1.9
117.01958	2.4
121.02987	0.5
122.97610	2.3
127.11307	3.1
129.01929	1.9
131.03537	0.7
138.97099	2.0
143.03474	0.7
149.04619	0.9
150.06873	3.2
157.01437	0.9
161.13336	2.6
175.02573	2.5
185.00899	0.7
189.04160	0.5
199.13408	13.1
200.13759	1.2
205.12344	35.7
206.12665	2.5
208.40121	0.6
231.05034	2.7
241.00189	3.4
243.15990	1.4
249.06149	36.0
250.06538	1.5
267.07184	35.0
268.07489	1.5
311.11731	2.2
323.11795	1.3
365.78870	0.6
375.20239	2.0
381.46399	0.6
437.18326	1.3
455.10056	9.2
455.18964	100.0
456.11060	2.2
456.19543	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	455.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45550	0.5
55.01872	1.7
57.03446	5.7
58.00586	1.3
59.01377	37.3
60.89730	0.6
61.98823	2.9
67.01888	1.2
68.99838	2.9
69.03456	7.0
71.01384	34.2
71.73405	0.8
72.99316	9.4
73.02955	4.4
73.52986	0.5
75.00877	27.5
76.31688	0.5
78.95909	1.1
79.95737	6.1
80.73853	0.5
80.96519	2.3
81.03436	1.2
81.95289	0.8
83.01389	3.1
83.05013	0.6
84.02155	0.5
85.02957	34.3
86.03273	0.7
87.00884	13.4
89.02444	10.0
91.04058	1.0
93.03443	1.6
95.01397	7.9
95.95215	2.1
96.96021	64.2
97.02950	1.6
97.94828	0.7
98.95600	9.4
98.96403	1.2
99.00260	1.2
99.00888	15.7
99.04530	0.9
101.02436	4.4
103.00392	3.5
105.07101	0.6
109.02975	0.8
111.00913	2.1
111.04585	0.9
113.02462	40.8
114.02776	1.5
115.00385	2.8
117.01962	4.6
119.03529	0.7
120.01222	0.9
123.00885	1.4
129.01959	3.3
131.03506	0.8
135.04492	0.5
138.03183	0.8
138.97073	1.3
139.00362	0.6
145.02991	0.7
149.04607	1.1
150.06802	1.0
150.96999	0.6
153.09319	0.5
157.01332	0.7
160.01712	1.0
161.04433	0.8
161.09665	0.6
161.13361	3.9
175.02495	3.9
175.03854	0.9
182.02246	1.8
185.00888	3.9
186.01289	0.9
187.01521	0.6
187.11244	2.3
189.04089	0.8
197.04553	5.0
205.07156	1.1
205.12344	25.7
206.12669	1.9
207.05159	1.6
226.45262	0.6
231.05104	3.6
241.00195	4.5
249.06136	49.0
250.06467	3.1
267.07184	100.0
268.07574	4.7
313.10590	0.6
367.18048	1.3
375.20068	1.6
420.21490	1.2
425.21954	0.9
437.18137	0.8
439.10730	0.8
454.62253	3.5
455.18927	83.3
456.19476	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66161	0.4
52.89350	0.4
53.83716	0.5
55.01873	1.2
57.03448	3.5
58.00571	0.8
59.01379	24.3
61.98816	0.8
66.23678	0.4
67.01862	0.6
68.99813	0.6
69.03468	2.2
69.49444	3.2
69.49871	1.4
71.01385	20.3
72.01730	0.5
72.99309	4.8
73.02948	4.2
75.00875	13.3
79.11046	0.4
79.95742	4.9
80.96535	2.1
81.03441	0.4
81.95343	0.5
83.01384	2.3
84.02174	0.7
85.02958	24.1
87.00887	7.8
87.04534	0.6
89.02450	3.9
93.03488	0.5
95.01398	4.0
95.95248	1.9
96.96023	100.0
97.02962	1.2
98.95604	7.0
98.96445	1.6
99.00897	9.5
99.04523	1.1
101.02467	4.0
103.00373	2.5
103.04021	1.5
108.08206	0.6
109.02970	0.7
111.00849	0.8
112.27282	0.5
113.02459	23.6
113.06042	0.5
114.02763	0.7
115.00388	1.5
115.92102	0.5
117.01971	2.5
119.03578	0.5
119.05032	0.8
120.05869	0.4
122.97626	0.8
125.02467	0.6
127.04019	1.3
129.01990	2.3
131.03529	0.7
133.10274	0.5
135.11850	0.9
138.97084	2.5
143.03577	0.5
144.05792	0.6
150.97102	1.6
152.07219	1.0
152.98718	0.8
157.01427	0.6
159.08162	5.9
161.04582	0.8
161.09735	12.3
162.10040	0.6
175.02582	2.6
177.04036	0.5
179.10791	11.8
180.11136	0.8
180.98166	1.5
185.00885	0.6
187.06195	0.5
193.03531	1.8
205.07129	1.7
231.05005	1.0
241.00275	5.5
241.14381	0.6
249.06099	6.9
250.06575	0.5
256.99869	1.0
267.07159	0.9
290.19824	0.5
293.05197	0.6
369.12198	4.5
375.27490	4.5
376.27753	0.6
395.20413	0.5
411.12930	1.1
413.14932	1.1
434.15579	0.5
437.14722	0.8
454.66360	0.4
454.93835	15.0
455.15689	47.3
455.20102	21.4
455.94037	1.6
456.15128	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	455.156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.2
57.03456	8.7
58.00568	2.0
59.01376	55.5
61.98826	11.7
67.01888	2.0
67.98174	1.1
68.99822	2.6
69.03465	3.8
71.01386	48.9
71.73205	1.7
71.73576	1.5
72.99304	13.9
73.01913	1.1
73.02958	11.9
75.00877	33.8
79.05531	1.3
79.95747	6.6
80.96552	1.6
81.03442	1.3
81.95348	1.3
83.01408	5.5
83.05055	1.2
85.02959	59.1
87.00880	18.9
87.04507	3.1
89.02449	9.4
93.03535	1.1
95.01389	10.0
95.95230	6.4
96.96024	80.5
98.95602	5.0
99.00883	20.8
99.04541	2.4
99.09039	1.0
101.02458	8.1
101.67674	1.1
103.00373	7.7
111.00910	2.7
113.02463	62.4
114.02810	1.9
115.00370	4.5
117.01959	6.9
123.28979	1.1
127.04052	2.2
129.01961	5.9
131.03513	1.7
131.08664	1.7
135.04527	4.2
135.11819	3.5
138.97060	2.2
143.08646	1.9
144.05829	6.7
146.07394	1.1
157.01419	3.4
159.08179	29.2
160.08464	2.0
161.09734	37.1
161.11096	1.8
162.10089	2.0
175.02516	3.9
177.04054	1.5
179.10789	100.0
180.11140	7.8
193.03574	5.7
205.07152	10.3
205.08771	2.3
223.09805	1.7
231.05008	2.2
241.00259	2.5
249.06146	29.2
250.06464	1.7
251.16206	1.3
256.99734	2.5
267.07153	2.6
293.05115	4.5
326.02234	1.1
356.79749	1.1
369.12280	1.5
411.16742	8.4
412.64053	1.5
413.14438	2.1
455.14697	87.7
455.20709	15.0
456.15164	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	455.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.3
67.50651	0.2
70.33479	0.2
70.91261	0.6
71.01379	0.9
72.99314	0.3
73.02956	0.3
79.95745	6.9
80.96528	2.0
83.01392	0.3
83.12450	0.2
85.02975	0.6
94.98096	0.3
95.95245	3.6
96.96021	100.0
101.02457	1.8
110.97591	0.9
113.02445	0.5
115.92074	0.3
119.05119	0.2
122.97594	0.9
124.12659	0.2
129.95781	0.3
138.97102	0.7
143.03537	0.3
149.02435	0.2
150.03262	0.7
150.97096	0.9
152.98648	3.2
153.05643	0.3
153.98914	0.3
164.04790	0.2
164.98656	0.3
165.05637	1.1
172.12518	0.2
180.98149	4.2
225.00757	1.9
241.00230	12.3
242.00594	0.7
256.99722	0.4
285.02762	1.3
288.09341	0.2
292.88556	0.3
455.08621	80.8
456.08929	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.3
57.03434	1.5
58.00584	0.8
59.01377	20.9
60.01733	0.4
61.98829	0.7
67.68389	0.4
71.01386	14.4
72.01759	0.4
72.99299	1.0
73.02958	4.0
75.00864	0.5
78.95917	0.6
79.95737	1.8
80.96527	0.7
81.69858	0.3
83.01395	2.6
85.02953	6.6
87.00890	1.2
89.02450	13.6
89.02999	0.8
90.82053	0.4
95.01399	1.4
95.95221	0.6
96.96017	35.8
96.96994	1.2
97.06606	0.4
98.95601	1.1
99.00916	1.9
101.02453	16.0
111.00861	0.5
113.02451	7.4
115.76228	0.3
119.03519	7.0
125.02414	0.4
129.01988	0.6
131.03473	0.5
132.42467	0.4
138.97102	1.7
143.03496	0.8
149.04607	0.4
150.97005	0.5
159.03020	0.6
161.04553	1.4
163.03783	0.4
169.12311	0.8
177.09233	2.5
179.05594	1.2
191.09975	0.3
195.10269	0.8
198.99225	0.6
213.11298	1.1
241.00214	7.1
267.07184	0.4
333.50085	0.4
357.15582	8.0
358.15900	0.8
375.16626	17.1
376.16910	1.8
388.13373	0.3
455.12234	100.0
456.12534	10.4
460.14426	0.4
476.26709	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83952	0.3
52.18717	0.3
55.01875	1.0
57.03443	1.0
58.00585	1.3
59.01379	23.8
60.94613	0.3
61.98825	1.1
64.80344	0.3
65.57127	0.4
69.03454	0.6
69.84547	2.2
71.01387	17.0
72.99309	1.2
73.02943	1.9
75.00890	0.8
78.95904	0.5
79.95738	3.1
80.96496	0.9
83.01387	2.0
85.02959	6.5
86.88457	0.3
87.00879	1.2
89.02451	18.5
90.02763	0.5
91.92761	0.4
95.01401	1.0
95.95241	1.6
96.96021	46.4
96.97025	1.2
98.19867	0.4
98.95604	1.0
99.00892	1.5
101.02454	16.1
102.02748	0.4
109.07802	0.3
113.01700	0.5
113.02465	7.5
113.06120	0.3
115.92104	0.3
119.02660	0.4
119.03524	7.6
119.04990	2.0
122.97589	0.4
125.02428	0.6
126.03189	0.4
129.01947	1.5
131.03531	0.7
134.03709	0.4
137.02446	0.4
138.97099	2.1
143.03477	0.8
149.04568	0.4
150.97073	0.4
151.11330	0.6
161.04526	0.8
163.04051	2.9
164.98605	0.4
168.98187	0.4
171.84727	0.3
177.09261	1.0
179.05611	1.2
179.29079	0.3
195.10281	1.2
213.11334	0.4
222.98990	0.5
241.00217	8.8
242.00462	0.4
266.06564	0.7
267.07199	0.4
269.82294	0.3
357.15546	1.2
375.16617	14.1
376.16968	1.7
455.12216	100.0
456.12564	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	453.1799
Annotation	Trp-Lys-OH
Peak:m/z	Relative Intensity
59.01373	1.1
61.98823	0.5
69.46155	1.6
69.46574	1.2
71.01375	0.3
79.95743	4.0
85.02963	0.5
86.77629	0.3
95.95233	1.4
96.96021	100.0
101.02477	0.3
109.02919	0.3
119.05053	0.5
123.04578	0.3
190.90067	0.3
257.08533	0.6
273.11566	1.6
289.07294	1.3
291.12515	0.4
315.08792	0.5
453.17996	90.6
454.18314	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	453.18
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17639	0.4
59.01107	0.4
59.01377	3.5
61.98816	2.5
62.77603	0.4
63.99243	0.4
64.43255	0.4
69.94139	2.7
69.94518	0.8
71.01378	0.8
79.95741	4.9
80.96532	0.7
85.02944	1.0
85.45925	0.5
88.98829	0.8
95.95234	1.3
96.96022	100.0
98.20574	0.8
98.95596	0.7
109.02953	1.4
113.02486	0.5
119.05040	1.2
123.04529	1.1
125.02409	0.4
133.70828	0.5
137.02440	0.8
141.87895	0.4
149.02412	0.6
163.04066	0.4
188.04764	0.5
195.94351	0.5
203.07091	1.2
205.04987	0.6
220.69624	0.4
241.00214	1.0
245.08186	0.8
273.11658	1.6
289.07153	3.8
315.08749	1.2
336.07974	0.4
395.99368	0.5
453.18011	79.5
454.12762	0.6
454.18433	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	454.281
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00582	0.7
59.01378	6.9
61.69545	0.4
61.98825	1.8
65.24422	0.5
66.03488	1.3
68.01414	12.0
70.02980	15.0
71.01379	3.1
71.73093	0.9
73.02956	1.4
74.02477	100.0
75.02810	1.4
78.95890	0.6
81.02206	1.3
82.02967	0.8
84.04560	1.3
85.02951	1.7
86.02486	15.4
87.04517	0.6
88.04054	3.3
94.02986	0.6
96.04573	2.0
96.96049	0.6
98.02489	6.4
101.02438	0.8
109.06609	1.4
110.02499	0.7
116.03561	1.0
117.55637	0.4
128.03557	4.1
133.16888	0.4
140.03572	1.9
149.51591	0.4
158.04610	2.8
163.11357	0.5
176.05649	29.6
177.06023	0.6
191.02075	0.6
194.06731	1.2
207.10289	1.6
211.13504	0.8
273.21890	0.5
277.21729	28.1
278.22079	2.5
291.23108	2.4
334.23624	0.7
418.25879	2.0
454.28085	34.2
455.28430	5.8
455.35107	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1797
Annotation	Trp-Lys-OH
Peak:m/z	Relative Intensity
57.13310	0.2
59.01385	1.8
70.30466	0.3
70.30859	0.4
71.01386	1.0
72.99318	0.2
73.02958	0.3
79.95742	4.6
80.96510	2.0
83.01392	0.2
85.02972	0.3
89.02471	0.4
94.98108	0.2
95.95245	1.3
96.96021	100.0
97.95979	0.4
98.95606	1.0
101.02450	1.5
113.02448	0.3
122.97603	0.6
138.97076	1.2
150.97086	0.8
152.98637	1.6
177.03979	0.2
180.98129	2.0
194.61945	0.2
225.00671	0.2
237.36638	0.2
240.97983	0.3
241.00237	3.6
256.99701	2.0
285.02887	0.5
365.09177	0.4
379.10849	0.8
439.55212	0.2
453.17975	91.0
454.18277	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1799
Annotation	Trp-Lys-OH
Peak:m/z	Relative Intensity
53.68426	0.2
55.91785	0.1
59.01384	1.5
61.32047	0.2
64.58945	0.2
71.01369	0.7
72.24976	0.2
72.99335	0.2
73.02934	0.3
77.76380	0.2
79.95753	2.4
80.96528	1.1
83.01359	0.2
85.02965	0.5
89.02458	0.4
95.95248	1.8
96.96022	51.9
101.02470	0.8
113.02452	0.2
122.97615	0.5
138.97095	1.7
147.05304	0.2
150.97136	0.9
152.98621	0.2
164.98676	0.3
168.98148	0.2
177.04076	0.6
180.98141	0.6
187.76880	0.2
198.99167	0.6
203.43617	0.2
205.73526	0.2
206.96402	0.1
219.02324	0.1
222.99217	0.2
225.00826	0.2
241.00198	2.5
256.99689	1.2
264.66373	0.2
285.02789	0.6
297.60162	0.2
365.09399	0.3
379.10590	0.7
453.17990	100.0
454.18311	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	453.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70402	0.2
55.01871	0.2
57.03439	0.3
59.01378	2.6
61.98836	1.8
66.59298	0.2
69.03463	0.6
71.01390	1.6
71.06054	0.6
72.99293	0.4
73.02949	0.4
75.00902	0.4
79.95740	3.8
80.96529	1.6
81.95299	0.3
83.01361	0.3
85.02954	1.1
87.00916	0.3
89.02467	0.5
94.98084	0.2
95.95239	3.1
96.96021	69.2
97.02962	0.3
97.94825	0.4
97.95939	0.3
98.57341	0.3
98.95605	3.4
98.96451	0.7
99.00897	0.5
101.02448	1.3
113.02443	0.5
122.97567	0.6
123.00895	0.3
124.01675	0.4
125.09747	0.3
129.01985	0.3
138.97070	1.9
139.03998	0.5
140.96642	0.2
141.01955	0.3
143.03505	0.2
150.97131	1.0
152.98628	0.3
161.04503	0.3
164.98682	0.5
169.08745	0.3
177.04100	1.4
180.98180	0.7
185.00948	0.5
198.99141	1.0
203.01935	0.3
213.00787	0.4
223.13516	0.3
225.00819	0.5
241.00256	3.5
256.99734	1.6
259.09979	0.2
274.14032	0.2
280.57074	0.2
282.42410	0.2
289.07144	0.3
341.00455	0.3
397.11612	0.3
453.17993	100.0
454.18292	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	453.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49594	0.2
55.01866	0.6
59.01376	4.0
61.98824	1.2
69.03459	5.9
69.90215	1.6
71.01382	2.0
73.02940	0.9
75.00876	0.3
79.95742	7.8
80.96529	1.4
81.95316	0.4
83.01405	0.4
85.02941	1.4
87.00879	0.7
89.02446	0.4
95.01396	0.3
95.95242	5.8
96.96021	79.0
97.02962	1.2
97.95950	0.3
98.95605	5.2
98.96449	0.7
99.00873	1.9
101.02446	1.2
113.02439	1.0
115.80634	0.3
116.91477	0.2
117.37289	0.2
122.97605	0.7
129.01901	0.3
138.97076	2.5
141.01970	0.6
148.95743	0.2
150.03233	0.2
150.97092	1.5
151.97882	0.4
164.98618	0.5
168.98161	0.3
177.04066	1.3
180.98106	0.9
185.00931	4.9
186.01233	0.3
187.11357	0.3
198.99258	1.2
203.30750	0.3
213.00755	0.4
222.99165	0.3
223.13425	0.8
225.00772	0.4
225.15028	0.3
241.00227	4.1
256.99753	1.5
257.05786	0.4
259.01239	0.7
266.06412	0.5
267.06638	0.4
267.12363	1.3
273.11932	0.3
335.68326	0.3
373.18484	0.5
393.11938	0.3
397.11618	0.7
452.93930	1.1
453.17889	100.0
453.63382	1.9
454.18259	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	453.18
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33367	0.2
59.01381	0.9
63.19607	0.2
69.69418	0.4
69.69827	1.0
71.01390	1.0
72.99284	0.3
73.02965	0.3
79.95743	3.1
80.96526	1.3
83.01379	0.5
85.02948	0.4
89.02461	0.3
95.95229	1.6
96.96023	62.3
97.95959	0.3
98.95607	1.3
98.96435	0.4
101.02453	1.0
113.02433	0.3
122.97591	0.9
125.02435	0.3
138.97116	1.0
150.97076	1.0
164.98630	0.4
180.98105	0.8
198.99237	0.5
200.65221	0.2
225.00916	0.3
241.00247	3.2
256.99603	0.4
383.93341	0.2
421.15256	1.4
435.17389	0.4
453.17969	100.0
454.18280	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	453.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.3
59.01377	1.7
61.98831	0.7
69.03436	0.2
71.01392	2.0
71.71864	0.2
72.99302	0.4
73.02943	0.5
75.00895	0.4
79.95743	5.1
80.96523	2.7
83.01390	0.2
85.02969	1.8
87.00884	0.8
88.14227	0.1
88.95309	0.2
89.02457	0.5
91.11434	0.2
92.51788	0.2
95.95237	2.5
96.96021	100.0
97.02988	0.2
97.95938	0.2
98.95599	2.0
98.96255	0.2
98.96381	0.2
99.00883	0.4
101.02444	1.2
103.00301	0.2
107.19913	0.2
110.97632	1.1
113.02488	0.9
113.03174	0.2
115.00388	0.3
120.01268	0.2
122.97620	0.6
125.02451	0.3
129.01973	0.2
137.02457	0.2
138.97086	5.9
139.97345	0.2
143.03517	0.4
150.97115	0.9
164.98650	0.5
167.03511	0.2
167.75482	0.2
168.98134	0.6
175.04047	0.3
180.98103	0.7
181.05057	0.4
191.01968	0.4
209.02997	0.3
216.04333	0.3
218.53801	0.2
222.99223	1.1
225.00717	0.9
241.00230	20.5
242.00562	1.2
242.99945	0.7
245.09541	0.3
247.06114	0.6
259.01315	0.3
291.05145	0.4
291.08417	0.2
319.18033	0.2
332.03802	0.2
453.10638	48.7
454.10938	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	453.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.3
71.01379	0.4
71.70517	0.3
71.70913	0.4
78.95908	93.6
89.02446	0.5
96.96046	0.4
96.96977	1.6
99.00889	0.2
106.52493	0.3
110.89928	4.5
110.98544	100.0
111.98888	0.8
119.03513	0.3
241.00259	0.4
295.84421	0.3
341.10938	0.7
453.10239	1.8
454.10425	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53699	0.2
55.31791	0.2
59.01373	0.7
61.98824	0.4
63.34259	0.2
66.15053	0.2
70.62154	0.2
70.62499	0.5
71.01374	1.3
72.43590	0.2
72.99308	0.3
73.02972	0.4
79.95739	4.7
80.96523	2.4
80.96951	0.2
85.02959	0.8
87.00877	0.8
89.02438	0.2
95.95244	2.4
96.96021	100.0
97.95971	0.5
98.95603	0.4
101.02450	0.7
108.46442	0.2
110.97610	1.1
113.02475	0.7
122.97598	0.6
125.02414	0.2
130.32848	0.2
138.97089	5.9
143.03531	0.4
150.97125	1.0
161.04536	0.2
164.98639	0.6
168.98138	0.5
180.98120	0.5
181.05064	0.3
211.09755	0.3
222.99197	1.4
225.00787	1.1
241.00227	20.7
242.00543	0.8
300.85553	0.2
453.10693	45.1
454.11005	5.2
469.21616	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95231	0.2
59.01374	1.6
61.98830	0.6
70.62183	0.6
71.01397	1.8
72.99310	0.3
73.02955	0.8
79.95737	4.6
80.96523	2.3
85.02975	1.0
87.00874	0.6
89.02437	0.5
95.95248	1.8
96.96021	100.0
97.02959	0.3
97.94850	0.3
97.95948	0.3
98.19936	0.3
98.95628	1.5
98.96279	0.2
99.00894	0.4
99.03250	0.2
101.02456	0.9
110.97622	1.2
113.02456	0.9
120.01298	0.3
122.97584	0.3
125.02455	0.3
138.05638	0.2
138.97093	7.4
143.03470	0.4
150.97096	1.0
152.98619	0.3
163.04111	0.3
164.98634	0.4
165.01932	0.3
168.98138	0.5
173.00877	0.2
177.03806	0.2
180.98117	0.7
193.08731	0.3
195.06532	0.2
196.07460	0.2
209.03030	0.2
211.09683	0.3
218.50334	0.2
222.99156	1.3
225.00754	0.5
241.00230	25.8
242.00528	1.1
242.99820	0.3
453.10654	45.0
454.10873	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	451.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50196	0.4
61.98829	1.7
68.08884	0.3
69.96233	1.2
69.96649	1.1
71.84628	0.4
78.95905	14.4
96.96021	0.7
98.19894	0.8
104.97470	0.5
110.97818	0.8
110.98540	11.2
127.04034	0.6
137.00105	0.7
167.01163	11.0
168.01488	0.5
185.02202	3.2
283.26413	100.0
284.26743	11.9
321.91238	0.4
451.28299	26.2
452.28549	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	452.2782
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
56.76344	0.1
57.76065	0.1
59.09617	0.1
61.98831	0.1
62.96405	0.1
78.95909	24.2
82.98247	0.2
96.96971	0.5
122.00161	0.6
122.98539	0.2
134.98511	0.2
137.67635	0.2
140.01210	5.0
152.99615	2.2
166.02739	0.2
171.00674	1.4
184.14330	0.1
193.76729	0.1
196.03815	9.6
197.04173	0.2
201.89789	0.1
210.49284	0.1
214.04851	2.2
220.37672	0.1
248.45213	0.1
255.23288	100.0
256.23627	11.0
256.27527	0.2
355.22830	0.1
444.49570	0.1
452.27820	36.3
453.28180	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	453.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.7
57.03447	4.3
59.01373	3.6
71.01389	2.7
71.71230	0.6
72.99311	1.0
75.00883	0.6
77.77625	0.6
78.95911	8.3
79.95733	1.4
83.01394	1.4
84.02194	1.0
85.02959	31.2
86.03338	0.8
86.11805	0.5
87.00936	0.5
88.58569	0.4
89.02444	0.9
89.69658	0.5
96.96017	100.0
98.95641	0.6
99.00879	0.7
103.00353	1.1
107.48526	0.5
110.98540	9.9
112.98827	1.1
115.00392	0.9
119.05025	0.7
120.01230	0.7
129.01970	2.8
133.01402	1.1
145.01450	1.0
147.03033	3.2
163.04033	0.7
173.01015	0.6
191.01974	18.5
209.03026	30.7
210.03368	1.4
222.20523	0.6
291.08820	0.6
298.30374	0.5
333.09360	0.6
355.06674	8.2
356.07065	0.9
421.08102	0.8
453.10504	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	451.1642
Annotation	Galbeta1-3GlcNAcbeta-Sp
Peak:m/z	Relative Intensity
50.36938	0.3
59.01384	2.0
69.46856	2.7
69.47260	0.7
71.01390	1.3
71.56341	0.3
72.99326	0.3
73.02976	0.3
75.00874	0.2
79.95753	4.1
80.96519	1.8
83.01373	0.4
85.02939	0.6
89.02471	0.7
95.66099	0.2
95.95237	3.9
96.96021	71.4
97.92857	0.3
98.19891	0.5
101.02460	0.8
117.89235	0.3
122.97575	1.0
138.97096	1.8
150.97101	1.2
160.93127	0.3
164.98657	0.6
175.71170	0.3
177.04053	0.8
179.59616	0.3
180.98196	0.9
198.99248	0.5
204.76260	0.3
220.74292	0.3
222.99196	0.4
225.00804	0.5
241.00240	3.2
256.99692	1.9
285.02823	1.1
337.48477	0.3
379.10629	4.1
393.12286	0.8
451.16422	100.0
452.16751	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	451.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44412	0.2
57.03446	0.2
59.01377	1.7
61.98835	0.2
69.76221	1.4
71.01381	1.1
72.99310	0.2
73.02935	0.4
79.95746	4.9
80.96526	1.8
83.01398	0.3
85.02962	2.1
85.06548	0.2
87.00902	0.2
89.02457	0.4
95.95232	2.0
96.96022	80.2
97.95959	0.5
98.20147	0.5
98.95608	0.7
101.02444	1.3
122.97628	0.6
124.03049	0.2
138.97076	1.2
150.97096	1.1
152.98659	1.1
168.98289	0.2
177.04091	0.5
180.98134	2.1
191.01973	0.7
198.99158	0.2
225.00708	0.3
241.00233	4.3
242.00545	0.2
248.90880	0.2
256.99673	2.4
259.01355	0.2
285.02890	0.6
293.64627	0.2
316.32492	0.2
329.96774	0.2
379.10693	2.3
380.10901	0.2
381.12341	0.5
393.12289	0.4
451.16403	100.0
452.16727	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	451.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.0
71.01389	0.6
71.16682	0.7
73.02966	0.3
77.77370	0.2
79.95742	4.4
80.96497	1.2
82.55467	0.2
85.02969	0.5
89.02436	0.5
94.98106	0.2
95.95261	1.7
96.96022	80.1
97.95935	0.3
98.95621	0.3
101.02452	1.3
111.39476	0.2
122.97598	0.6
138.97099	0.5
150.97095	1.2
152.98628	1.0
155.61479	0.3
160.25806	0.2
179.41483	0.3
180.98128	2.6
241.00249	4.9
241.02722	0.2
242.00461	0.3
256.99768	1.6
285.02896	0.5
333.98544	0.2
341.02975	0.2
379.10565	2.9
380.11316	0.3
393.12143	0.5
421.11560	0.3
451.16418	100.0
452.16724	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	451.1642
Annotation	Galbeta1-3GlcNAcbeta-Sp
Peak:m/z	Relative Intensity
59.01375	2.8
60.59644	0.2
61.98828	1.4
65.43546	0.2
69.03474	0.4
69.60867	2.3
71.01378	1.6
72.99313	0.6
73.02941	0.4
75.00866	0.4
79.95742	5.0
80.17541	0.3
80.96497	1.3
83.01374	0.6
85.02966	1.0
95.95229	3.2
96.96018	79.0
97.95962	0.3
98.19945	0.5
99.00921	0.3
99.44304	0.2
101.02446	1.1
111.12342	0.2
122.97598	1.2
129.01976	0.3
138.97084	2.2
150.97078	1.5
152.98656	0.3
155.57082	0.2
164.98752	0.5
168.98192	0.4
177.04106	1.3
180.98157	1.1
198.99147	1.0
216.06856	0.3
216.23114	0.2
225.00760	0.6
241.00282	2.9
241.18089	0.4
256.99780	1.5
316.95398	0.3
349.63910	0.3
362.61316	0.3
451.16400	100.0
452.07135	0.5
452.16785	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	451.093
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83411	0.2
57.03439	0.5
57.63119	0.2
59.01378	3.3
61.98814	0.4
67.05234	0.2
69.03465	0.3
69.69775	1.3
71.01380	3.3
72.99291	0.5
73.02949	0.7
75.00899	0.9
79.95738	4.3
80.96519	2.5
83.01369	0.4
85.02961	2.3
87.00884	1.3
87.04558	0.2
89.02457	1.5
95.95236	1.9
96.96017	100.0
97.02965	0.2
97.95956	0.3
98.20454	0.6
99.00910	0.9
101.02444	1.3
110.97575	0.9
111.04521	0.4
113.02450	1.8
119.03506	0.3
119.45506	0.2
120.01286	0.3
122.97574	0.6
125.02412	0.4
129.01967	0.6
134.03746	1.1
138.97084	8.4
143.03474	0.4
150.03195	0.2
150.97093	0.9
161.02577	0.2
161.04518	0.2
164.98647	0.8
168.98174	1.0
176.04768	0.3
177.04079	0.5
179.03496	0.5
180.98093	0.5
191.01855	0.3
193.05084	1.1
194.05791	0.4
195.05125	1.5
198.99174	0.9
209.08150	0.4
213.05499	0.2
222.99150	1.2
225.00746	0.6
241.00221	30.0
241.04875	0.9
242.00552	1.2
249.06154	0.9
250.06616	0.3
251.06680	0.5
256.07315	0.3
256.99734	0.3
259.01355	1.0
267.07181	0.3
271.09714	0.3
289.07199	0.3
371.09717	1.0
418.32101	0.2
421.16162	0.3
432.16003	0.3
433.16226	1.6
451.09177	40.5
451.17889	1.1
451.17978	1.2
452.09500	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50620	0.4
57.03456	1.7
58.00602	0.5
59.01379	15.8
59.01675	0.8
59.12840	0.4
60.01714	0.7
60.18861	0.4
61.98833	19.6
63.99257	4.1
70.92036	1.1
71.01389	6.5
72.99314	1.0
73.02946	1.8
74.02498	0.7
75.00883	1.2
75.39718	0.3
78.95927	0.5
79.95743	12.7
80.96533	3.0
83.00947	0.4
83.01405	0.9
85.02965	8.8
87.00896	1.2
87.04521	0.5
88.98815	1.2
89.02463	3.6
95.01395	0.8
95.52650	0.3
95.94668	0.8
95.95252	12.9
96.96024	100.0
97.02945	0.5
98.95589	1.3
98.96404	0.3
99.00915	1.1
101.02445	3.9
103.00394	0.4
110.97597	24.9
111.00846	0.5
113.02481	3.2
119.03493	1.1
120.01265	0.7
120.99644	0.5
121.02974	0.4
122.06087	0.4
122.97554	0.9
129.01947	1.4
131.07227	0.6
134.03717	1.2
135.04494	0.6
138.97093	11.6
143.03445	0.5
147.02994	0.9
149.02437	0.8
149.04509	0.5
150.03226	0.8
150.97137	1.9
151.97841	1.2
152.98602	0.4
155.07153	0.4
161.04570	0.7
164.98540	0.6
165.05571	0.7
168.98106	1.2
169.01430	0.6
175.02420	0.7
177.04004	1.1
177.05469	1.0
178.02658	0.8
179.03575	2.0
179.05026	0.4
180.98131	1.3
191.01923	1.4
193.05014	1.6
194.99704	0.6
195.10199	0.5
198.99200	9.0
201.11331	0.9
209.11816	0.6
222.99084	0.5
223.06084	0.8
225.00700	1.0
230.05774	0.4
240.97984	0.7
241.00255	9.4
245.08133	1.2
249.06111	1.4
256.99701	1.4
259.00717	6.1
259.03058	1.9
267.07166	0.9
271.09619	0.6
272.12897	0.4
289.07446	0.8
301.02347	1.8
319.14044	0.4
331.17386	0.7
347.16687	0.4
349.18564	0.5
365.05316	1.6
365.18509	0.5
391.19641	0.6
407.06439	3.3
407.18845	0.5
436.06540	0.6
451.08746	70.9
451.18277	1.9
452.02972	0.5
452.08817	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	451.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57184	0.1
59.01372	1.1
61.98844	0.2
69.93449	1.1
71.01382	2.0
73.02946	0.5
79.95738	4.2
80.96523	2.5
83.01386	0.2
84.19912	0.2
85.02960	0.9
87.00887	0.8
89.02459	0.2
95.95224	1.6
96.96021	100.0
97.95973	0.2
99.00898	0.5
100.83875	0.2
101.02447	1.2
110.97585	0.7
113.02461	0.4
114.62577	0.2
120.01326	0.2
122.97588	0.5
125.02457	0.3
134.03770	0.3
138.97090	7.5
143.03506	0.4
150.97089	0.8
160.04051	0.2
161.02444	0.4
164.98637	0.5
168.98125	0.7
179.03452	0.6
180.98106	0.7
193.05106	0.2
194.05905	0.6
202.72025	0.2
209.08218	0.6
222.62062	0.2
222.99170	1.1
225.00661	0.5
241.00237	31.5
242.00620	1.4
246.52571	0.2
264.79309	0.2
451.09134	30.5
452.09348	3.4
452.15259	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01906	0.9
57.03468	2.0
59.01381	4.5
61.98842	0.5
70.91071	1.3
70.91410	0.6
71.01398	3.3
72.99316	0.7
73.02986	1.5
75.00877	9.2
79.95770	1.7
80.96540	1.4
83.01431	0.7
83.45042	0.5
84.72533	0.5
85.02959	14.0
85.03439	0.8
87.00882	3.9
89.02501	1.5
89.03972	0.7
91.69498	0.4
95.95264	0.7
96.96021	53.0
97.02973	1.3
99.00917	2.3
101.02465	2.8
104.70229	0.6
113.02457	0.9
117.02019	0.5
117.03459	6.0
118.03797	0.6
119.05075	0.5
120.01251	0.8
129.01959	4.0
134.03760	66.0
135.04042	3.0
137.02454	0.7
138.97090	2.9
145.27219	0.5
149.06102	7.9
150.06317	0.5
159.03021	0.5
168.98045	0.8
175.04054	1.1
177.02515	0.9
177.04065	15.0
178.02744	5.5
178.04292	0.7
191.02028	4.7
193.05069	100.0
194.05411	5.9
194.99727	0.6
195.05086	9.2
209.02945	1.8
229.00302	2.7
241.00237	5.8
256.99719	13.8
257.99939	1.1
275.00653	2.0
289.07303	0.7
301.81604	0.6
353.04788	0.8
371.09851	22.5
372.09967	1.9
411.23920	0.7
433.04053	1.1
433.15829	0.7
451.05145	39.7
452.05228	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.7
56.74575	0.4
57.03456	2.2
59.01380	6.5
60.01725	0.4
61.98826	1.3
69.03444	0.6
69.78370	2.5
71.01393	5.2
72.32795	0.4
72.99324	1.7
73.02967	1.2
75.00877	8.4
79.95731	2.1
80.96535	1.5
83.01403	0.8
84.02216	0.5
85.02959	16.3
86.03307	0.5
87.00880	4.7
89.02466	2.0
89.03967	0.8
96.96021	67.4
97.02956	1.6
99.00901	2.0
99.04503	0.5
101.02474	3.4
103.00377	1.2
109.26649	0.3
113.02431	2.1
115.03957	0.5
117.03489	5.3
119.05057	0.8
120.01259	1.4
123.04578	1.6
125.02463	0.5
129.01950	3.8
134.03755	66.1
135.04041	2.8
136.00749	0.4
137.02477	1.7
138.97099	3.0
140.07179	1.1
143.03531	0.4
147.02980	0.4
149.06111	8.7
150.06490	0.5
152.98676	0.9
159.03021	0.8
160.01682	0.8
161.04562	0.5
164.08388	0.4
168.98123	1.0
175.03970	1.1
177.04063	18.6
178.02747	4.6
178.04221	0.7
179.03401	0.5
180.97964	0.5
182.08125	0.9
191.01999	4.2
193.05063	100.0
194.05421	5.3
195.05089	8.0
209.02956	1.6
225.77139	0.4
229.00174	2.5
230.97865	0.4
241.00237	10.2
242.00285	0.6
249.06151	1.1
256.99707	14.7
257.99841	0.6
259.08228	0.6
260.21027	0.4
267.07172	1.1
275.00632	1.7
283.01233	0.8
353.04944	0.9
361.13736	0.5
365.05460	6.2
371.09811	20.8
372.10007	2.1
407.06381	4.1
428.72607	0.4
432.15616	0.5
433.04001	1.1
433.15775	1.2
450.15939	1.3
451.05069	39.2
451.16360	1.2
452.05341	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	451.0553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01806	0.5
57.03400	1.9
59.01376	6.2
59.67859	0.5
61.98796	0.5
66.83781	0.4
71.01387	5.8
72.99278	1.8
73.02915	1.1
75.00877	18.7
79.95734	4.2
80.96511	2.7
83.01350	0.7
85.02953	7.4
87.00873	4.3
89.02457	2.4
95.95222	1.6
96.96022	100.0
99.00897	5.2
101.02470	2.2
103.21243	0.5
110.97617	0.9
113.02431	1.1
117.03446	1.5
119.03448	0.5
120.01295	1.0
122.97610	0.7
128.39973	0.5
129.01958	14.4
131.35739	0.6
134.03758	25.9
135.04092	0.8
137.59695	0.5
138.97095	6.6
145.65340	0.4
146.97389	0.4
149.06134	2.7
150.97012	0.5
159.03064	1.1
160.04099	1.1
168.98170	0.8
175.04213	0.5
177.04070	6.9
177.05312	0.5
178.02835	0.7
180.98224	0.5
191.02121	0.6
193.05070	27.4
194.05682	1.9
195.05109	69.6
196.05557	1.8
209.04729	0.6
209.08353	0.7
222.99245	1.2
225.00854	0.5
229.00415	0.7
240.97934	0.9
241.00233	27.7
242.00793	0.9
249.06421	0.6
256.99744	6.5
275.01129	1.4
289.07254	0.7
365.06149	1.9
371.09851	18.2
372.06744	0.5
372.10806	1.9
407.07217	1.2
451.05670	4.5
451.10489	22.8
452.10806	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	449.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.0
61.98827	1.6
61.99112	0.3
62.14755	0.2
70.69485	0.8
72.68577	0.2
78.41857	0.2
78.95904	4.7
96.96025	0.5
110.98543	3.3
152.99567	0.7
167.01151	1.9
185.02187	3.2
211.47720	0.3
281.24832	100.0
282.25201	10.8
323.55585	0.3
449.26682	9.5
450.26938	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	450.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25576	0.1
57.03442	0.5
59.01379	7.8
60.01711	0.9
60.99296	0.5
61.01802	0.7
61.98830	100.0
63.99260	0.5
68.99860	0.2
69.03454	0.3
69.80858	0.9
69.81271	0.3
71.01383	1.2
72.01752	0.2
72.99290	0.2
73.02961	0.4
75.00891	0.5
79.95754	0.4
85.02964	1.7
86.25930	0.2
87.00906	0.2
88.98820	4.7
89.02457	0.9
90.02846	0.2
95.05080	0.2
96.96023	3.6
96.96614	0.3
97.02946	0.2
98.95639	0.3
99.00893	0.4
101.02468	0.4
113.02459	0.9
114.02837	0.2
117.19683	0.2
119.03556	0.2
120.01295	0.2
125.09680	0.2
129.01892	0.2
152.98663	0.2
155.10803	0.5
175.02487	0.2
179.05637	0.2
191.01901	0.2
199.13351	0.4
200.13895	0.3
201.11382	0.4
229.99899	0.2
241.00314	0.7
243.02812	0.2
247.54573	0.2
249.06189	0.9
250.06487	0.9
252.80864	0.2
267.07117	0.2
268.07629	0.2
269.81201	0.2
345.07095	0.2
347.17200	0.2
361.14114	0.3
388.66409	0.2
390.21533	0.5
392.27747	0.2
407.19247	0.3
409.66336	0.2
432.16220	0.6
450.10730	0.2
450.16116	1.6
450.23605	1.7
451.08655	1.1
451.17633	0.2
451.23532	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01918	0.5
57.03528	4.1
59.01128	2.4
59.01461	16.7
65.93758	0.5
67.01984	1.5
67.05620	3.1
68.99921	1.7
69.03550	5.5
69.58390	3.9
69.58706	0.5
71.01055	2.2
71.01482	16.2
72.99409	4.1
73.02679	0.8
73.03057	1.9
75.00519	1.7
75.00977	16.9
81.03554	1.5
83.01472	1.1
83.05107	0.7
85.02498	1.9
85.03068	20.3
86.03445	0.7
87.00995	6.3
89.02568	5.3
91.04134	1.5
93.03560	1.0
94.61744	0.5
95.01510	5.4
95.02006	0.5
95.60096	0.5
96.96130	0.7
99.01008	9.8
99.04641	0.6
99.97169	0.5
101.02544	0.5
103.00513	1.9
109.03097	0.6
109.06635	0.5
111.01006	1.3
111.03834	1.8
111.04533	30.1
112.04983	1.0
113.02460	23.7
114.02886	0.9
115.00513	2.0
117.01942	4.2
125.09739	4.8
129.02071	1.8
130.82663	0.5
131.03590	0.6
137.09924	0.6
157.01564	1.3
169.08865	2.2
175.02507	2.8
181.08723	10.2
199.09734	4.2
205.07256	0.8
207.38800	0.5
221.67943	0.6
231.05154	3.1
249.06140	55.4
250.06610	2.1
267.07181	17.7
268.07632	0.8
295.23080	0.5
361.11371	0.8
413.14505	1.7
419.15591	21.7
420.15927	3.2
431.15579	100.0
432.15903	12.5
449.16602	42.6
450.17023	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	449.239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.3
56.96157	0.3
57.03451	1.1
58.00605	0.3
59.01379	100.0
60.01719	1.3
61.35990	0.3
61.98834	7.4
67.60986	0.3
68.99812	0.4
69.03474	0.6
69.86985	2.0
71.01384	9.6
72.99313	1.3
73.02943	1.5
73.96715	0.3
75.00883	1.8
79.95743	0.8
83.01416	0.7
85.02957	5.1
86.29644	0.3
87.00897	1.2
89.02454	12.9
93.03458	0.3
94.07928	0.3
95.01422	0.8
95.95216	0.4
96.96021	11.1
97.73399	0.3
98.20633	0.5
98.95603	0.6
99.00897	1.1
99.04540	0.8
101.02451	5.4
111.00885	0.4
111.04544	0.7
113.02464	5.7
119.03521	4.3
119.08700	0.4
120.01292	1.3
120.99622	0.4
121.02995	0.6
123.02270	0.3
125.02503	0.7
125.06084	0.4
129.01921	0.5
129.05592	0.9
131.03543	0.8
135.93594	0.4
137.02655	0.3
137.09720	0.7
138.97141	0.4
143.03534	1.7
146.23163	0.3
147.02997	0.7
149.02480	0.3
149.04608	0.8
153.09267	0.4
155.10849	0.5
161.04585	2.3
163.11382	0.4
169.08694	0.5
179.05634	6.8
181.08626	0.5
191.02106	0.4
199.09749	0.9
215.09290	1.0
231.05165	0.3
241.00188	1.9
249.06091	3.0
267.07312	1.7
287.05634	0.8
287.09250	0.4
299.09198	0.6
387.16504	3.0
387.93231	0.3
389.21902	3.0
403.57559	0.3
406.13031	0.4
419.16037	0.4
431.15576	2.5
449.10965	1.0
449.16568	10.8
449.23218	0.7
450.17102	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.1
57.03445	5.3
59.01379	23.0
60.01737	0.5
67.01882	1.1
67.05533	3.9
68.65511	0.5
68.99811	0.9
69.03461	5.4
71.00992	1.2
71.01387	20.7
71.18221	1.3
71.18577	0.6
72.99313	6.5
73.02946	2.8
75.00452	1.0
75.00880	20.2
79.95739	0.5
81.03477	1.3
83.01411	1.3
85.02960	28.2
87.00881	7.9
89.02464	6.1
93.03468	0.7
95.01402	6.6
96.96017	4.6
99.00262	0.7
99.00899	11.1
100.01248	0.5
101.02453	1.8
103.00403	3.9
109.02975	1.2
111.00886	1.4
111.04536	32.1
111.69943	0.5
112.01655	0.7
112.04868	1.3
113.02467	34.8
114.02794	0.8
115.00391	2.4
116.97575	0.5
117.01951	3.3
119.03530	0.7
120.01273	0.5
125.09743	3.3
129.01938	2.6
131.03482	1.6
138.05562	0.5
154.87225	0.4
157.01416	0.9
165.05649	0.6
169.08742	2.8
175.02507	3.5
181.08730	11.7
182.09056	0.8
193.03590	1.4
199.09773	3.4
204.01439	0.5
205.07236	0.7
207.05113	0.6
223.08250	0.6
227.09084	0.6
231.05154	2.2
231.23232	0.6
241.00249	1.9
249.06154	26.0
250.06456	1.5
267.07193	29.2
268.07605	1.5
361.11404	1.2
389.18411	1.8
413.14786	1.7
419.15610	25.4
420.15884	3.6
431.15585	100.0
432.15955	12.8
449.06009	1.1
449.16647	31.8
450.16922	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1484
Annotation	Suvorexant
Peak:m/z	Relative Intensity
57.03456	0.6
57.24031	0.3
59.01381	8.4
61.98827	1.6
63.56036	0.3
69.03468	0.4
69.59092	1.7
69.59522	1.5
70.32479	0.3
71.01379	2.3
72.99297	0.5
73.02959	0.5
75.00887	0.8
79.95745	10.0
80.77567	0.3
80.96533	1.7
85.02962	1.9
87.00887	0.5
95.95243	15.3
96.96021	68.7
99.00869	0.6
99.19730	0.4
101.02454	1.0
113.02499	1.0
122.97603	1.2
126.15694	0.4
129.01926	0.6
138.97090	2.2
150.97093	2.9
151.00414	0.7
151.97861	1.9
156.89485	0.6
164.98651	0.5
177.04073	4.0
180.98184	0.8
191.01962	0.6
194.99669	0.6
197.55058	0.3
198.99197	0.7
213.00668	0.8
222.99178	0.9
225.00713	0.9
241.00224	5.2
242.72354	0.3
256.54352	0.4
256.99744	3.7
257.03513	0.5
259.01285	0.4
272.02844	0.7
273.03061	1.0
297.94855	0.3
300.02835	0.7
301.03299	1.0
302.03424	2.0
303.04028	1.2
344.62799	0.4
398.20709	0.4
449.10220	4.2
449.14871	100.0
450.15219	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.4
59.01380	3.4
63.02414	0.3
65.00327	0.6
65.32197	0.2
69.45051	1.4
69.45474	0.8
69.54729	0.2
71.01377	1.8
72.99325	0.3
73.02930	0.4
79.95744	4.3
80.96522	1.9
81.89854	0.3
83.01372	0.6
85.02951	2.6
87.00890	0.3
89.02453	0.6
95.01379	0.3
95.95242	2.8
96.96020	87.1
97.95959	0.3
98.95625	0.2
101.02470	1.6
103.00350	0.3
107.01408	1.0
109.02955	1.1
110.03306	0.3
111.00938	0.3
113.02470	0.7
121.02962	0.6
122.97590	1.0
129.01892	0.2
135.00929	0.3
138.97076	2.1
147.03020	0.3
148.01633	0.3
149.02330	0.2
150.97075	1.2
151.00400	3.4
151.03004	0.2
152.00729	1.4
152.98659	1.0
153.00816	1.5
157.11142	0.2
159.04498	0.3
163.00433	0.9
164.00990	0.4
164.98659	0.6
165.00909	0.2
177.04074	1.0
178.99887	1.6
180.00211	0.8
180.98126	1.9
181.00418	0.8
183.59380	0.2
191.02002	0.9
198.03116	0.2
198.99237	0.5
200.04204	0.2
211.04068	0.4
212.04721	0.3
213.04454	0.3
214.02661	0.2
217.04364	0.3
225.00790	0.3
227.03456	1.3
228.03770	0.8
229.04077	0.5
230.05457	0.3
231.05566	0.3
241.00179	4.0
242.02394	0.5
243.02948	1.8
244.03476	1.1
245.01102	0.5
245.03311	1.7
246.04721	0.3
247.05263	0.4
255.02963	3.9
256.03293	3.9
256.99844	1.2
257.03522	5.7
258.04059	0.3
270.01599	0.8
271.02463	6.5
272.02844	6.2
273.02997	9.1
274.03616	0.7
275.04666	0.6
284.02945	0.4
285.03116	0.4
286.03720	0.3
298.01251	0.4
299.01981	2.2
300.02753	6.8
301.03250	11.3
302.03406	21.5
303.04041	13.9
304.04321	1.0
316.02176	1.1
317.02905	0.5
363.07584	3.3
405.08499	1.3
421.71735	0.2
431.05975	0.5
449.09583	21.3
449.14978	100.0
450.09811	2.4
450.15271	12.7
458.07895	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1488
Annotation	Suvorexant
Peak:m/z	Relative Intensity
55.01879	0.2
57.03432	0.3
59.01379	5.6
60.01691	0.2
61.98830	3.5
69.03454	0.2
70.60514	0.7
71.01385	2.6
72.99305	0.5
73.02948	0.6
77.17637	0.1
78.95926	0.2
79.95738	4.4
80.96528	1.6
83.01398	0.5
83.05029	0.2
85.02963	1.3
87.00893	0.5
88.04053	0.2
89.02451	1.0
93.03500	0.2
95.95242	3.1
96.96021	71.4
97.01698	0.3
97.02959	0.2
97.75894	0.2
99.00881	0.4
99.97085	0.2
101.02467	1.4
102.38444	0.2
107.01371	0.4
113.02473	1.2
115.00420	0.3
122.06039	0.2
122.97601	1.2
124.07691	2.3
125.02465	0.3
133.01421	0.2
134.06087	0.3
135.04501	0.3
138.97079	3.4
143.03558	0.2
150.03217	0.2
150.97066	1.4
151.00386	1.2
151.97827	0.2
152.98642	0.4
153.02834	0.2
162.05669	0.4
163.06410	0.3
168.98083	0.3
177.04065	0.4
178.05087	0.5
178.99858	0.2
180.98138	0.8
191.05714	0.2
198.99187	2.0
203.60013	0.2
213.00766	0.3
222.99150	0.2
225.00742	0.7
241.00214	4.3
242.00504	0.3
243.15009	0.2
245.03415	0.2
255.02890	0.3
256.03430	0.2
256.99747	0.6
257.03421	0.3
259.01257	1.1
271.02438	0.4
272.02869	0.4
273.03082	0.5
285.04089	0.2
287.05551	0.6
287.14008	7.2
287.22186	0.8
288.14459	0.6
300.02719	0.5
301.03265	0.5
301.15567	0.3
302.03464	1.3
303.03998	0.9
329.15134	1.3
375.59836	0.2
376.09497	0.2
389.21820	0.2
391.10696	0.5
431.14029	0.4
449.14856	100.0
449.27695	3.4
450.15186	13.4
450.21591	0.3
450.27896	0.4
451.64780	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78288	0.2
57.03444	0.9
59.01377	3.6
59.76433	0.2
61.98830	0.9
69.96473	0.7
69.96879	0.4
71.01373	1.6
72.99313	0.4
73.02951	0.3
75.00851	0.3
78.95914	0.2
79.68193	0.2
79.95744	3.9
80.96532	1.0
83.01404	0.2
84.02165	0.3
85.02958	5.1
86.03300	0.2
87.00908	0.2
88.04063	1.0
95.94637	0.1
95.95242	4.5
96.96021	45.3
98.19972	0.3
99.04565	0.3
101.02452	0.9
101.55952	0.2
113.02467	0.6
115.00404	0.2
117.07562	0.2
122.97588	0.5
129.01952	0.7
132.03078	0.4
137.09760	0.4
138.01054	0.2
138.97089	0.6
147.03021	0.4
150.97089	1.9
151.00421	0.2
151.97890	0.5
152.98662	0.5
164.98697	0.2
172.97849	0.2
177.04099	0.8
180.98149	0.5
191.01962	2.4
198.48715	0.2
209.03088	0.2
213.00742	0.4
222.99170	0.3
225.00723	0.7
241.00235	2.2
256.99713	1.3
257.03589	0.2
271.02481	0.3
273.03058	0.4
300.02597	0.3
301.03333	0.6
302.03522	0.9
303.04053	0.6
393.08649	2.0
449.14862	100.0
450.15216	12.8
450.24435	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	449.1487
Annotation	Suvorexant
Peak:m/z	Relative Intensity
57.03441	0.6
59.01376	3.2
61.98825	0.4
69.03133	0.2
69.03458	1.0
69.24073	0.2
70.29179	0.2
71.01379	2.0
71.60250	0.2
72.99316	0.3
73.02936	0.2
75.00880	0.7
79.95744	8.3
80.96519	1.3
83.01433	0.2
83.58242	0.2
83.64672	0.2
83.90968	0.2
85.02967	1.4
87.00875	0.4
89.02441	0.4
95.01402	0.2
95.95240	12.8
96.96021	69.2
97.02941	0.2
97.95945	0.4
99.00879	0.7
101.02452	0.6
109.06645	0.2
110.34949	0.2
113.02454	0.6
116.92874	0.2
122.97597	0.9
129.01939	0.6
138.97081	2.8
143.03421	0.2
150.97096	2.4
151.97896	1.4
152.98601	0.3
153.65430	0.2
164.98672	0.6
168.98137	0.6
176.98663	0.3
177.04073	2.9
180.98143	0.9
185.00949	0.5
192.11636	0.2
194.99725	0.7
198.99179	1.0
199.13426	0.7
207.13986	0.5
213.00752	0.7
222.99182	0.9
225.00793	0.5
241.00233	4.6
245.04079	0.2
249.06187	0.3
256.99710	2.2
259.01202	0.4
271.02631	0.2
273.03049	0.7
291.50769	0.2
300.02704	0.3
301.03223	0.6
302.03375	1.3
303.04062	0.7
426.42862	0.2
449.14853	100.0
450.15176	13.3
450.19980	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1488
Annotation	Suvorexant
Peak:m/z	Relative Intensity
55.01854	0.2
57.03442	0.5
59.01375	1.6
62.85884	0.2
69.38490	0.3
69.38884	2.3
71.01383	2.1
72.99312	0.4
75.00882	1.2
79.95739	7.8
80.96519	1.4
85.02960	0.7
87.00872	0.2
89.02454	0.3
95.95242	13.0
96.96021	76.5
97.95968	0.3
98.95607	0.3
99.00881	0.4
101.02464	1.0
113.02451	0.4
116.92906	0.2
121.02985	0.4
122.97593	0.9
129.01942	0.7
138.97076	2.7
150.97096	2.9
151.97884	1.9
152.98723	0.3
159.02948	0.4
164.98634	0.5
165.04053	0.6
168.98119	0.8
176.98625	0.4
177.04063	5.5
180.98120	0.8
183.13904	1.8
192.11615	0.2
194.99704	0.8
198.99211	1.3
207.13969	0.5
213.00749	0.9
222.99176	1.1
225.00764	0.6
241.00211	5.0
253.10017	0.2
256.99744	3.7
259.01358	0.4
301.16531	0.6
302.03275	0.5
311.71033	0.2
363.07532	0.4
405.08557	0.2
449.14856	100.0
450.15198	12.5
450.20187	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.1
60.45548	0.3
61.98830	100.0
69.03445	0.4
70.09319	0.5
70.09716	0.7
71.01379	0.4
79.95760	0.7
83.01417	0.4
85.02973	0.8
88.04062	0.3
96.96017	4.2
98.20587	0.3
98.82673	0.3
99.00924	0.3
101.02498	0.3
104.79951	0.3
107.01398	0.7
109.02975	0.5
113.02483	0.3
121.02995	0.5
130.18884	0.3
137.29129	0.2
151.00372	2.1
152.00708	1.0
178.99876	0.9
180.00203	0.5
190.05070	0.4
228.03786	0.5
243.02972	0.4
244.03328	1.1
246.05019	0.3
255.02917	1.8
255.23256	0.3
255.59198	0.3
256.03342	3.5
267.19687	0.5
271.02448	3.4
272.02820	5.9
273.03430	0.6
283.39484	0.3
300.02762	5.1
301.03214	13.3
302.03827	8.8
303.04062	0.9
385.22220	1.3
388.21295	1.1
448.09656	12.7
448.16183	0.5
448.22922	2.0
449.09482	1.5
449.14639	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	5.7
61.98831	100.0
64.55366	0.5
69.41499	1.1
69.41910	4.6
78.95914	5.5
82.48061	0.5
90.15345	0.5
96.72755	0.4
96.96066	1.3
98.20737	0.5
107.01436	1.0
109.03013	0.6
109.85357	0.4
116.92852	0.8
121.02962	3.6
122.03255	0.5
149.00096	1.4
151.00356	2.5
152.00764	1.0
152.99619	2.4
154.00027	0.6
163.00310	0.7
178.99921	1.3
180.00203	0.8
227.03209	0.6
228.03998	0.5
243.02925	0.7
244.03383	1.5
246.04919	0.9
255.02901	2.6
255.23442	0.7
256.03305	4.3
271.02441	4.8
272.02795	9.5
273.03024	0.8
300.02731	6.4
301.03192	18.3
302.03839	13.0
303.04184	1.4
448.08786	13.8
448.14304	5.5
449.09265	2.9
449.15387	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45794	0.2
59.01374	1.6
61.98831	100.0
69.68131	1.4
78.95908	2.2
87.19118	0.2
92.91612	0.2
96.96040	0.5
96.96985	0.3
103.83992	0.2
134.57361	0.2
151.00369	0.9
152.00726	0.3
152.99605	2.6
153.99878	0.2
163.00362	0.3
172.65570	0.2
178.99904	0.4
180.00189	0.3
243.03053	0.3
244.03461	0.3
255.03090	0.8
256.03296	1.1
271.02484	1.6
272.02789	2.5
273.03116	0.3
300.02759	1.9
301.03210	5.3
302.03891	4.0
370.89957	0.2
448.09659	5.4
448.22012	0.3
449.09653	0.7
449.23279	0.3
471.79153	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.5
59.01381	5.3
60.01714	0.6
61.98832	100.0
62.98542	0.3
63.78705	0.2
70.48798	0.8
71.01383	1.4
72.45245	0.2
73.02962	0.4
75.00880	0.5
77.83992	0.3
79.95746	2.2
80.96539	0.7
83.01426	0.3
85.02959	2.6
86.03311	0.3
89.02464	1.0
95.95251	2.1
96.96024	24.7
99.00901	0.3
101.02481	0.7
113.02480	0.7
119.03555	0.3
122.56833	0.2
125.02459	0.4
129.02011	0.3
136.94560	0.2
138.97092	1.3
147.03008	0.4
150.97089	0.5
151.00418	0.7
152.01192	0.3
153.09219	0.4
155.10791	1.5
164.98730	0.4
177.03957	0.3
178.99872	0.7
180.98129	0.5
191.01988	0.7
199.09753	0.4
224.09987	0.3
233.39403	0.3
241.00220	1.8
253.87639	0.2
256.99744	0.8
271.02444	1.4
287.02029	0.7
316.02283	3.0
317.03128	1.4
389.21671	0.4
448.14868	1.0
449.07755	2.0
449.14877	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	4.0
60.01707	0.4
61.01805	0.3
61.98830	100.0
70.88972	0.4
70.89324	0.3
71.01389	0.8
79.39844	0.2
79.67346	0.2
85.02950	0.4
89.02457	0.6
96.96036	1.3
101.02431	0.4
113.02500	0.5
146.55658	0.2
173.73970	0.3
309.72824	0.2
424.36490	0.2
449.10962	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19033	0.2
55.26340	0.2
59.01360	0.7
71.49871	0.3
71.50229	0.4
78.95910	4.8
110.97838	0.3
110.98543	3.9
111.08267	0.2
152.99597	0.3
167.01166	2.0
185.02202	3.8
241.22432	0.2
255.02937	0.3
261.22418	0.3
271.02393	0.5
279.23267	100.0
280.23618	11.8
300.02768	0.6
301.03391	0.5
322.36566	0.2
371.70007	0.2
447.09167	0.9
447.25128	9.5
448.25476	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	447.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01712	1.0
61.98827	0.8
68.59752	0.4
69.62581	2.1
69.63004	0.9
71.01389	4.9
73.02955	0.9
78.47857	0.3
81.96341	0.3
83.01411	0.6
85.02971	1.6
89.02455	5.8
95.01392	0.4
96.96026	0.7
98.20669	0.4
101.02451	4.0
107.52378	0.4
113.02421	2.4
119.03529	2.6
131.03563	0.4
143.03534	0.7
161.04628	2.8
179.05650	1.2
189.12888	1.3
207.13927	0.9
387.20221	5.1
388.20529	0.6
447.22363	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	447.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.8
58.00592	0.4
59.01379	100.0
60.01713	1.0
61.98831	1.4
66.02344	0.2
70.91578	0.5
70.91911	0.2
71.01386	7.3
72.99297	0.4
73.02956	1.2
74.99123	0.3
75.00867	0.3
76.44014	0.2
79.95769	0.3
83.01423	0.5
85.02956	2.7
86.88474	0.2
87.00896	0.9
88.98837	0.5
89.02454	10.2
95.01415	0.6
96.96017	3.2
98.95628	0.4
99.00948	0.3
99.04549	0.3
101.02454	4.2
103.00394	0.2
111.00928	0.3
113.02475	3.6
119.03509	3.8
120.01308	0.4
120.99688	1.3
125.02486	0.3
131.03558	0.7
136.99214	0.6
137.65669	0.2
143.03551	1.8
149.04631	0.6
161.04587	2.2
162.05077	0.2
164.65765	0.2
179.05627	6.2
179.07207	0.4
180.05968	0.3
238.95805	0.2
241.00270	0.5
249.06129	0.4
255.02979	0.3
263.24100	0.2
266.06522	0.3
270.99506	0.9
271.02701	0.7
300.02811	0.7
301.03604	0.4
345.10251	0.2
380.86856	0.2
387.20300	3.4
388.20685	0.3
405.21390	0.4
436.99167	0.2
447.09793	0.7
447.15753	1.3
447.22385	1.0
448.09467	0.3
448.15695	0.2
472.31732	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54581	0.4
52.84111	0.4
55.01888	0.9
57.03447	4.3
58.00593	0.4
59.01379	100.0
60.01720	1.3
61.98830	4.8
69.03477	0.4
71.00991	0.9
71.01388	16.9
71.05015	0.6
72.99323	1.3
73.02951	9.1
73.52292	0.4
74.02493	0.4
75.00881	1.7
79.95776	1.6
83.01398	3.4
83.05067	0.7
84.42599	0.4
85.02958	9.0
87.00899	2.7
89.02449	9.0
95.01417	1.7
95.95221	2.3
96.96021	18.2
97.02972	0.6
98.95613	1.7
99.00871	2.2
99.04565	1.1
101.02451	13.7
101.03086	0.7
103.00351	0.4
103.63803	0.4
108.02174	0.4
109.03018	0.4
109.04043	0.4
113.02467	9.7
114.02821	0.4
119.03527	3.9
120.01214	0.4
120.99684	0.6
123.08190	0.6
125.02490	1.6
127.05177	0.4
128.03568	0.8
129.01976	1.0
131.03532	0.7
137.09756	0.9
138.97110	0.7
140.07216	3.7
141.07535	1.5
143.03549	1.4
145.06236	0.9
149.04588	1.0
149.09746	3.0
150.97122	0.8
151.00314	0.6
153.09181	0.6
154.24698	0.4
159.03122	0.6
160.04045	0.8
161.04556	6.7
161.05841	0.5
167.10789	7.9
167.12073	0.6
168.11113	0.6
169.08693	0.6
175.02452	0.5
178.99980	0.9
179.05618	2.7
181.12396	0.4
191.02077	0.6
195.13937	0.5
197.25375	0.4
207.13910	0.9
215.09412	0.5
225.14963	7.0
241.00255	1.4
243.03064	0.5
243.16026	1.1
249.06236	0.9
255.03033	1.4
256.99609	2.5
271.02490	3.0
285.04227	0.9
299.14813	0.5
300.02814	3.8
301.03549	3.3
315.12387	0.6
315.18082	0.6
329.05249	0.5
343.07227	1.0
357.08725	0.8
387.20282	16.6
388.20667	1.7
403.22968	0.6
405.21326	5.6
447.09305	5.1
447.14905	8.5
447.22556	3.8
448.18039	0.7
448.23187	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	2.6
57.03448	12.0
58.00596	0.8
59.01380	100.0
60.01697	1.3
61.98835	7.9
67.01907	1.8
68.99828	2.2
69.03461	7.9
71.01385	19.0
71.05032	2.2
72.99319	2.5
73.02946	4.8
75.00874	3.0
79.95738	4.3
83.01388	3.9
84.02203	1.1
85.02960	59.9
86.00149	0.7
86.03294	1.5
87.00879	3.9
89.02449	8.7
91.04043	0.7
95.01423	2.6
95.95245	5.9
96.96022	23.7
97.02971	0.5
97.43489	0.5
97.94894	0.5
99.00893	2.8
101.02458	8.5
103.00430	1.5
111.00874	3.6
111.08204	1.9
113.02467	13.2
113.06130	0.9
119.03549	1.8
121.10253	0.9
129.01970	6.0
131.03554	0.9
133.03027	0.6
139.00409	1.2
139.11299	13.8
140.11694	0.8
143.03537	1.2
147.03033	4.6
151.00403	0.9
152.98640	0.8
153.09232	4.2
156.32936	0.6
157.01566	0.5
159.03038	1.3
161.04561	6.6
161.05687	0.6
173.01077	1.1
175.04079	0.7
177.04134	1.0
179.05630	1.0
182.90225	0.6
183.10275	23.1
184.10651	1.3
185.63435	0.6
191.01988	20.1
205.07251	1.6
209.03033	1.1
225.00702	2.5
225.15019	1.4
231.05148	1.3
241.00359	1.3
249.06293	2.3
255.03046	0.6
255.15962	0.7
256.99869	2.0
263.07709	8.9
267.07162	3.4
271.02533	1.8
279.12369	0.6
281.08850	2.9
284.03268	6.1
285.04041	11.7
285.13892	0.5
286.04477	1.2
300.02832	1.7
301.03577	1.7
315.14474	6.1
327.05008	0.6
331.38535	0.6
387.20215	10.4
387.24756	0.8
388.20850	0.8
390.53723	0.6
399.79767	0.6
403.16360	2.2
405.21042	0.7
415.16235	1.1
432.11127	1.1
447.09052	2.1
447.13599	21.6
447.18958	52.4
448.13916	2.3
448.19180	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	447.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	8.0
59.01377	7.7
70.87206	1.3
70.87560	0.6
71.01394	1.7
73.02945	0.9
83.01417	1.0
84.00903	4.6
84.04569	0.5
85.02973	1.9
85.04079	5.6
88.23027	0.4
89.02472	0.7
90.18192	0.4
96.96015	4.7
98.02499	0.6
98.95609	1.0
99.04546	1.8
101.02464	2.8
112.04056	1.8
112.71487	0.5
113.02483	1.1
113.03588	2.9
120.99740	0.7
125.02554	0.5
126.01985	7.1
129.91592	0.5
140.02296	100.0
141.02086	2.6
141.03078	70.3
142.03403	1.7
147.02988	0.4
153.03065	1.2
155.04649	1.8
165.03000	0.6
167.57957	0.4
183.04135	5.4
212.31462	0.5
241.00217	1.0
270.99423	0.6
285.07062	1.3
303.08337	60.0
304.08667	3.8
336.19656	0.5
345.09390	46.0
346.09738	3.4
385.12527	16.7
385.17484	0.8
386.12531	1.7
387.10712	0.6
447.12540	17.7
448.12817	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	447.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64961	0.1
59.01381	0.9
61.86507	0.1
61.98827	1.3
62.91502	0.1
62.96408	1.3
65.90717	0.1
70.30100	0.5
78.95911	37.9
83.01398	0.1
96.96967	2.4
107.01424	0.4
109.02936	0.2
125.89015	0.1
147.44673	0.1
149.00111	19.3
150.00484	0.5
151.00400	1.3
151.01627	0.2
152.99602	1.1
153.51378	0.1
158.92574	1.8
161.00214	0.2
163.00372	0.3
169.01511	0.2
178.99825	0.6
179.01184	2.4
205.15981	1.6
211.04016	0.2
227.03726	0.3
229.04893	0.2
240.96852	0.5
243.03099	0.4
245.04631	0.2
255.02991	2.2
267.11551	0.4
271.02463	4.2
272.02927	0.5
273.03870	0.2
300.02783	6.4
301.03513	5.5
302.03867	0.5
347.08304	0.5
417.12573	1.0
431.10318	2.4
432.10733	0.5
447.13513	100.0
448.13864	12.6
448.20425	0.3
464.09790	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01018	0.4
56.49602	0.4
57.03432	1.9
58.03772	0.4
59.01377	9.5
61.98813	1.6
68.99817	0.5
69.77788	2.8
71.01385	9.1
72.99282	0.5
73.02938	3.4
75.88998	0.4
79.95727	1.3
80.96518	1.4
81.03477	0.4
83.01367	1.0
85.02953	7.6
87.00868	0.9
89.02455	1.9
92.80228	0.4
95.01379	1.5
96.96021	28.0
98.19834	0.5
98.95622	0.6
99.00896	2.9
99.09568	0.5
101.02458	4.4
103.00374	2.4
108.02187	49.7
109.03001	13.9
110.03281	0.4
111.00926	0.5
113.02457	2.7
120.01286	0.7
121.02956	0.8
123.00893	1.2
123.04523	1.0
125.02400	0.7
129.01971	0.5
130.08757	2.7
134.03723	0.6
135.04533	1.0
136.00705	0.5
140.02275	1.3
141.01958	1.6
141.03001	0.9
143.03578	0.4
147.02948	0.5
148.61961	0.4
151.00281	0.5
151.04027	2.2
152.01166	94.1
152.62846	0.4
152.98724	0.7
153.01593	4.3
161.04590	3.2
163.04036	3.4
164.98596	2.0
173.42563	0.4
177.01944	1.0
179.03525	0.8
180.98122	0.9
191.02066	0.7
209.03070	0.8
241.00241	3.3
249.06184	0.4
271.08252	1.0
303.08627	0.9
315.07394	1.3
327.17010	0.4
334.65213	0.4
345.09616	0.5
361.08075	20.3
362.08643	1.4
403.09091	12.2
404.09433	1.4
447.11594	100.0
448.11987	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	447.093
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02375	0.5
65.00326	1.2
69.92146	1.2
69.92553	1.5
83.01410	1.4
96.23789	0.5
98.20575	0.6
107.01412	4.5
108.02184	2.2
109.02985	2.5
119.01451	0.6
121.02963	3.8
135.00908	1.1
148.01688	1.5
151.00377	13.9
152.00768	0.7
163.00403	3.1
164.01132	0.8
169.01448	1.0
178.99890	7.0
183.04568	0.5
185.06120	0.5
187.04002	0.7
192.00717	0.5
211.04030	1.3
226.02773	0.7
227.03549	3.0
243.02986	8.8
244.03546	1.3
245.04576	2.3
254.02229	1.8
255.02982	23.1
256.03311	1.3
257.04572	0.7
271.02466	45.6
272.02927	4.1
273.04031	1.2
283.02551	1.9
299.02277	0.7
300.02768	77.0
301.03522	77.7
302.03967	5.1
353.54105	0.5
447.09323	100.0
448.09659	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	447.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.9
56.81493	0.4
57.03448	34.4
58.00584	0.4
58.03784	0.7
59.01379	16.4
61.98830	1.6
67.01883	0.5
68.99812	1.8
69.03455	1.1
71.01388	6.2
71.71976	0.6
72.99303	0.7
73.02954	2.0
75.00878	0.6
79.95751	0.5
83.01402	6.2
85.02958	8.6
87.00887	1.3
89.02453	3.1
93.03456	0.4
95.01395	7.5
96.96022	5.6
96.96954	0.4
97.02952	0.6
98.08873	0.3
98.95648	0.5
99.00886	1.1
99.04530	18.7
100.04890	0.5
101.02454	10.1
103.00406	0.4
111.00896	39.2
112.01255	1.2
112.04053	1.1
113.02472	6.1
115.00437	0.5
119.03529	1.3
120.01271	0.8
120.99657	1.1
123.00904	2.6
123.04549	1.2
124.01728	0.8
124.04073	0.9
125.02483	8.5
129.01942	0.8
131.03592	0.5
136.07709	1.6
137.02464	0.6
137.06125	0.6
139.00410	1.2
139.04041	0.8
140.02293	7.3
140.07086	0.4
141.01973	100.0
141.03027	6.4
142.02310	4.2
143.03551	1.3
147.03105	0.4
149.04556	0.7
151.04022	0.4
153.05569	0.7
154.99869	0.4
161.04584	9.3
166.05139	1.3
179.03564	0.4
179.05632	2.3
179.07008	0.4
181.05043	0.4
184.06203	1.1
191.02057	1.3
192.02196	0.4
196.46487	0.4
202.05336	0.4
203.05612	0.5
205.84659	0.4
209.03036	0.9
221.06708	1.0
241.00192	0.9
249.06236	1.4
263.07718	4.1
267.07193	1.1
270.99652	0.6
271.02466	0.6
281.08746	0.7
300.02884	0.8
301.03622	0.6
303.08118	6.0
305.08517	0.4
323.09946	2.6
345.09357	2.7
348.24652	0.4
385.12451	1.1
387.20737	0.5
430.13693	1.9
447.10791	1.9
447.15332	3.2
448.14771	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	447.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.4
57.03447	6.0
59.01377	40.9
60.01712	0.6
61.98832	2.2
63.02386	0.5
64.10690	0.5
65.00326	0.7
68.99814	0.6
69.85181	3.0
70.24616	0.4
71.00990	0.8
71.01380	8.7
72.99315	1.6
73.02964	2.9
75.00877	1.9
79.95731	4.7
80.96515	1.7
83.01384	2.3
84.02180	0.7
85.02956	34.5
86.03297	1.0
87.00877	2.5
87.04535	0.4
89.02444	3.3
93.03474	0.8
94.24672	0.4
95.01375	0.8
95.95256	3.3
96.96021	35.4
97.02945	0.6
98.95599	0.9
99.00889	1.5
99.04528	0.7
101.02442	5.0
101.72202	0.4
107.01401	0.9
109.02942	0.5
111.00903	1.4
113.02464	3.7
115.00390	0.6
116.92808	0.4
119.03491	0.9
120.01260	0.4
120.78830	0.4
125.02448	1.0
129.01965	4.0
131.03539	0.5
135.00900	0.8
137.02399	0.7
138.97162	0.5
147.03012	4.5
150.97011	0.9
151.00385	3.7
152.98714	0.6
153.02023	0.6
153.09233	1.8
159.04614	0.4
161.04582	1.9
163.00374	0.8
164.98677	1.1
165.01979	0.5
169.01476	0.8
173.00952	0.7
173.02490	0.6
175.04045	0.5
177.03984	0.5
178.99934	1.6
180.98116	0.7
181.12357	1.8
183.04538	1.0
185.06079	0.7
187.03957	0.9
190.17326	0.4
191.00226	0.9
191.01984	16.7
192.02258	0.6
197.15475	0.7
209.03009	4.2
211.04077	1.6
211.13474	0.7
225.14978	1.5
227.03497	75.2
228.03847	6.1
229.04935	1.6
239.03444	0.6
241.00200	2.7
241.05042	0.8
241.07381	0.5
243.02986	0.9
243.16048	1.4
249.06186	0.7
255.02972	89.9
256.03543	14.1
256.99741	1.3
257.04489	1.6
267.07275	0.6
269.00919	0.7
269.04517	0.5
271.02414	3.5
272.02731	0.6
283.02179	0.8
284.03250	77.2
285.03940	25.5
285.13330	0.7
286.04300	1.2
300.02765	5.6
301.03552	4.2
315.18097	0.9
327.05173	1.0
387.20117	4.0
403.15970	0.7
405.21271	5.5
441.08676	0.5
447.09244	100.0
447.22382	15.6
448.09018	13.0
448.22818	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	447.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01921	1.1
56.60045	0.3
57.03454	4.0
58.00665	0.4
59.01377	29.3
59.25355	0.3
61.98830	2.5
65.00377	0.8
69.96249	2.0
70.85139	0.4
71.01388	6.0
71.36125	0.4
72.99346	0.8
73.02955	2.3
75.00925	1.2
76.69628	0.3
79.61103	0.4
79.95744	3.1
80.96590	1.1
83.01398	2.3
84.02231	1.4
85.02957	24.8
86.03315	0.5
87.00478	0.4
87.00861	1.9
87.67509	0.4
89.02445	2.2
93.03519	0.6
95.01448	0.5
95.95305	1.6
96.96024	19.3
97.03067	0.4
98.95648	0.5
99.00948	0.8
100.98795	0.4
101.02455	3.8
107.01459	0.9
111.00959	1.3
113.02464	3.3
115.00446	0.5
119.03580	1.0
120.01336	0.4
121.02981	0.4
125.02503	1.2
129.01942	2.5
135.00958	0.5
138.47542	0.4
143.03674	0.5
147.03041	3.5
150.97182	0.6
151.00371	3.8
153.09291	1.8
157.06728	0.6
159.04596	0.5
161.04716	0.9
163.00388	0.7
164.98653	0.7
165.01953	0.4
169.01501	0.8
177.04201	0.5
178.99902	0.7
179.05771	0.5
181.12387	1.4
183.04553	1.4
185.06183	0.8
187.04051	0.7
191.01984	11.3
191.03593	0.8
197.06256	0.4
197.08217	0.5
197.15482	0.6
209.02957	2.1
211.04031	1.3
211.13469	0.5
217.04851	0.4
225.15033	0.8
227.03500	64.4
228.03900	5.2
229.05005	1.4
241.00192	1.8
243.03059	0.7
243.16058	1.1
249.06161	1.3
255.02977	86.3
256.03528	11.9
256.99731	0.7
257.04413	1.1
269.04742	0.4
271.02414	2.7
284.03256	72.3
285.03918	23.9
285.13324	0.8
286.04431	2.1
300.02789	4.4
301.03500	3.6
315.17865	0.5
327.05045	1.2
370.38425	0.4
387.20190	4.8
405.16464	0.5
405.21332	6.4
447.08981	100.0
447.22107	18.8
448.09323	14.3
448.22653	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	446.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53942	0.3
59.01378	7.2
60.01718	0.3
61.98830	100.0
63.02388	0.3
65.00320	0.4
65.28350	0.3
71.01390	0.6
71.21487	0.5
71.21806	0.4
71.40521	0.3
76.43209	0.3
78.95912	2.3
83.01412	0.8
85.02938	0.4
89.02467	0.4
96.96030	0.5
107.01405	1.5
108.02210	0.4
109.02985	1.0
111.90865	0.3
113.02458	0.3
121.02995	1.3
148.01714	0.5
149.00151	0.5
151.00383	5.2
152.99615	2.1
159.04544	0.3
163.00458	1.4
164.01207	0.6
169.01563	0.3
178.99873	2.8
183.04518	0.4
193.74149	0.3
201.05609	0.6
211.03955	0.4
226.02808	0.4
227.03441	1.5
229.05035	0.6
241.01405	0.5
242.01883	0.6
243.02962	3.2
245.00984	0.6
245.04607	0.9
254.02267	0.6
255.02968	8.8
270.01776	0.3
271.02435	21.6
272.02945	1.2
273.04071	1.2
275.04767	0.3
283.02725	0.6
299.01801	1.6
300.02740	32.6
301.03519	24.5
312.22681	0.8
446.08188	2.3
446.26416	0.9
447.09085	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0803
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.3
59.01377	25.1
61.98826	7.0
64.67999	0.5
66.33801	0.5
69.57588	3.5
71.01389	5.4
72.99313	1.7
73.02950	2.8
75.00874	1.2
78.64022	0.5
79.95725	5.1
80.96537	3.7
83.01410	1.2
85.02956	9.5
87.00896	0.7
87.04540	0.6
89.02437	2.8
95.01410	0.9
96.96020	100.0
97.95961	0.7
98.95607	2.3
99.00877	1.4
99.04522	0.8
99.05692	0.6
101.02444	5.0
103.00376	7.6
108.02181	1.5
108.09887	0.5
108.10583	0.6
109.02981	1.3
111.00896	1.5
111.04533	1.6
113.02474	3.7
113.03585	1.3
114.95227	0.5
119.03530	0.9
119.07124	0.6
120.01261	39.8
120.99662	1.5
121.02937	1.2
124.01627	0.5
125.02446	1.0
128.03534	1.5
128.07216	0.6
129.01953	1.1
130.08757	8.0
131.03490	0.5
133.64685	0.6
134.03778	1.3
136.01680	0.8
138.97044	0.8
139.03975	0.7
140.02271	1.4
141.01938	2.2
141.03040	1.1
144.06607	1.2
147.03032	1.1
147.19441	0.6
149.04498	0.5
149.06123	1.0
151.04002	1.2
152.01181	3.3
152.98633	1.8
153.02034	0.7
160.04033	2.1
161.04486	2.3
163.04071	0.8
164.98627	8.3
165.99988	0.7
180.98164	3.4
181.08672	1.9
187.09770	0.5
191.02025	2.7
193.04988	0.7
199.09749	3.0
205.03459	0.8
209.02975	2.2
210.00981	0.5
218.08186	1.4
240.90747	0.6
241.00232	9.0
242.00294	0.6
242.99857	0.7
249.05951	1.3
253.03174	0.8
262.07086	1.1
267.07101	1.5
280.08090	1.6
303.08307	1.1
314.06839	0.9
326.16241	1.1
327.16568	1.9
331.40591	0.6
343.06851	2.5
345.09311	1.2
361.08087	86.7
362.08447	6.6
367.08215	0.9
385.12192	0.7
387.20386	0.7
403.09161	48.1
404.09625	4.4
415.36746	0.5
429.07654	2.6
446.25797	0.7
447.07809	47.1
447.21207	1.3
448.08466	5.4
448.14291	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	446.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34081	0.3
59.01377	3.7
60.01748	0.2
61.98829	100.0
65.00321	0.6
69.64104	0.5
69.64515	1.3
71.01389	0.4
78.95936	1.1
83.01419	0.6
85.02960	0.5
96.96020	1.8
101.02463	0.3
107.01382	1.4
108.02215	0.5
109.02972	1.1
113.02491	0.4
119.01432	0.3
121.02979	1.3
123.28744	0.2
139.68503	0.2
148.01733	0.5
149.02501	0.4
151.00392	6.0
151.01581	0.4
152.99626	1.0
163.00404	1.6
169.01413	0.4
178.99884	3.1
183.04483	0.3
187.04111	0.3
199.03999	0.3
211.04039	0.6
213.01978	0.2
215.03400	0.3
226.02791	0.7
227.03603	1.2
229.05096	0.4
239.03569	0.3
241.01518	0.5
242.01852	0.9
243.02953	3.7
245.04614	0.8
246.01265	0.4
254.02280	0.8
255.02963	8.9
256.03763	0.3
270.01749	0.4
271.02441	19.0
272.03043	1.0
273.03946	0.4
275.56787	0.2
283.02472	0.8
299.01871	1.3
300.02728	28.4
301.03522	20.4
309.28519	0.2
387.03317	0.3
387.20056	0.4
422.84265	0.3
446.07907	1.8
446.26477	0.8
447.09204	27.4
447.33316	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.0397
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98556	0.4
57.03454	2.2
59.01378	6.7
61.98831	14.3
68.46601	0.5
71.01392	4.0
71.71914	0.9
72.99306	1.4
73.02919	0.7
75.00880	0.8
79.95750	1.8
80.96529	1.8
83.01370	0.5
85.02962	10.9
86.03285	0.7
87.00900	1.0
89.02439	1.2
96.96021	52.6
97.95961	0.7
98.95642	0.9
99.04545	0.9
100.04822	0.5
100.62169	0.5
101.02469	1.7
103.00335	0.5
104.03455	0.4
108.02207	1.0
111.00883	1.2
113.02484	1.1
116.05064	1.4
120.01265	3.2
120.99698	0.6
122.97568	0.7
124.01649	1.1
125.02451	0.6
129.01962	0.7
135.04616	0.5
137.02487	0.5
138.97086	3.4
139.04030	1.4
140.02298	1.1
141.01941	0.6
141.03062	0.5
144.06696	1.1
147.03004	1.0
149.06078	0.5
150.97136	0.7
151.04013	0.6
152.01160	1.4
160.04056	100.0
161.04411	5.9
164.98671	0.7
165.01904	0.6
168.98177	0.7
174.05554	0.8
176.07217	0.4
191.01988	5.0
195.06607	1.1
202.05104	1.1
204.03033	5.2
204.65446	0.4
205.03551	0.6
209.03061	4.2
222.99225	0.7
232.06042	0.5
241.00217	17.4
242.00597	1.0
303.08453	1.0
322.09332	0.6
345.09268	0.6
361.08044	2.2
366.08319	27.4
367.08563	2.7
402.04999	26.9
403.05350	1.9
403.09763	0.7
406.89478	0.5
445.26172	1.0
446.04037	18.5
446.09253	0.7
446.14362	2.6
446.26404	0.7
447.03787	0.9
447.10385	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	446.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.4
60.84516	0.2
61.98829	100.0
62.96407	0.8
62.98534	0.3
70.07291	0.6
70.07716	0.9
72.63349	0.2
73.37885	0.2
78.95907	24.2
85.02954	0.2
96.96977	1.5
107.01401	0.5
109.02966	0.3
121.02990	0.5
126.30357	0.2
145.78787	0.2
149.00105	10.2
151.00401	1.9
152.99646	0.6
158.92534	1.1
162.92575	1.0
163.00385	0.5
178.99866	0.9
179.01213	1.4
205.15956	1.2
211.04070	0.3
227.03572	0.4
229.05009	0.3
242.01729	0.3
243.02965	1.7
245.04514	0.3
255.02980	3.6
267.11771	0.4
270.01617	0.3
271.02448	7.3
272.03113	0.6
273.03918	0.3
283.02725	0.3
299.01788	0.5
300.02716	10.0
301.03528	7.3
301.06790	0.5
383.07245	0.3
417.12485	0.7
431.10297	1.8
446.08307	0.8
446.26245	0.5
447.13629	63.4
464.10150	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01705	0.8
61.98831	39.1
65.00317	0.6
69.97749	0.9
69.98164	2.2
71.01395	1.4
78.95927	0.8
87.07288	0.5
89.02447	0.9
96.96001	1.3
96.96986	0.5
98.19981	0.9
101.02467	0.9
107.01383	0.6
111.04533	1.5
113.02501	0.5
121.03017	0.8
131.51961	0.5
151.00429	0.8
152.99643	0.7
153.09198	0.6
158.03752	0.6
161.02457	0.6
171.04555	0.6
186.03314	0.6
199.03979	0.7
214.02753	1.6
215.03317	0.6
219.06606	0.6
241.01424	9.3
242.02119	2.9
243.02962	1.1
245.00856	3.6
249.22200	0.7
270.01688	8.4
271.02441	8.8
272.02765	0.6
293.21210	20.7
294.21579	2.4
298.01138	3.8
299.01959	9.9
300.02405	1.9
303.25113	0.5
311.22281	31.2
312.22644	2.8
315.44620	0.5
317.13849	0.6
341.03088	0.5
385.18890	0.8
445.07782	16.0
445.25943	7.3
446.07852	3.4
446.25906	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.4
57.03439	0.5
58.00586	0.6
59.01377	100.0
60.01726	0.9
70.03374	1.4
70.03787	0.7
71.01384	10.2
72.99292	0.5
83.01398	0.6
83.91123	0.4
85.02958	3.1
87.00875	0.7
89.02448	13.4
95.01419	0.4
96.96032	1.5
101.02453	6.1
103.60273	0.5
113.02454	5.1
115.00301	0.4
119.03519	6.5
119.04313	0.5
128.80115	0.4
131.03551	0.7
143.03487	0.7
149.04640	0.5
161.04596	0.9
163.11339	1.1
171.13429	0.4
179.05649	1.3
187.11151	0.5
191.01964	0.4
205.12344	5.1
223.13579	0.5
370.14664	0.4
430.78156	0.5
445.19394	2.6
467.15924	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48051	0.2
54.13269	0.2
55.01870	0.2
59.01377	1.3
61.98838	0.3
70.59477	0.4
70.59866	0.4
76.62304	0.2
78.95908	6.2
83.05040	0.3
86.61396	0.2
104.97488	0.3
108.78157	0.2
110.98535	4.4
127.92936	0.2
152.99637	0.4
155.13240	0.2
167.01173	2.3
184.14507	0.3
185.02206	4.4
220.44495	0.2
233.22760	0.4
259.20575	0.4
260.48489	0.2
275.20105	0.4
277.21713	100.0
278.22067	12.1
299.02054	0.3
445.07703	0.3
445.23563	8.9
446.24020	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	445.236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32061	0.2
50.47391	0.2
51.69390	0.3
59.01368	1.0
68.75381	0.2
70.44924	0.2
71.16194	0.5
71.16540	0.2
78.95905	5.3
83.05047	0.2
90.51248	0.2
95.45058	0.2
100.65786	0.2
110.98542	3.9
116.36871	0.2
121.02959	0.2
132.12675	0.2
143.26573	0.2
152.99686	0.3
167.01155	1.9
185.02209	3.8
185.03848	0.3
233.22685	0.6
246.47449	0.2
259.20694	0.4
275.20053	0.5
277.21704	100.0
278.22040	11.7
310.54169	0.2
445.23578	8.3
446.23981	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	445.236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.6
61.98855	0.5
62.51202	0.5
64.55868	0.4
67.12224	0.4
70.24085	1.3
70.24504	0.8
71.01409	0.7
78.24667	0.4
78.95908	20.3
94.33002	0.3
94.73110	0.3
104.97514	1.0
110.98543	12.1
127.07703	0.5
137.00142	0.6
149.87143	0.4
152.99623	0.8
160.89304	0.7
167.01164	15.6
185.02182	4.0
187.74268	0.4
233.22754	0.5
241.01472	1.5
245.00845	0.5
259.20697	0.5
263.09222	0.5
270.01743	1.0
271.02332	1.0
275.20181	0.5
277.21713	100.0
278.22079	11.9
299.01825	1.6
304.69788	0.4
347.02594	0.4
361.15289	2.2
429.21521	1.4
445.07611	1.8
445.23535	28.0
446.08420	0.4
446.23895	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	445.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00603	0.7
59.01379	100.0
60.01718	1.1
67.82030	0.4
69.98280	2.3
71.01385	15.5
71.01776	0.8
72.99309	0.8
73.02953	0.4
76.87154	0.4
83.05023	2.4
85.02968	2.0
87.00906	0.9
89.02454	23.6
95.01436	1.2
96.96029	1.6
98.19950	0.4
101.02453	7.1
108.02715	0.3
113.02457	6.7
113.31745	0.4
115.79839	0.4
119.03520	9.6
131.03523	1.2
143.03540	3.2
149.04623	0.9
161.04558	3.3
179.05626	19.0
205.12479	0.8
279.17722	0.4
293.09744	0.4
344.77466	0.4
445.21841	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.5
55.84924	0.3
57.03443	0.9
58.00592	0.9
59.01377	100.0
60.01725	1.1
61.98829	3.9
69.03458	0.4
69.54253	2.9
71.01385	20.9
72.01704	0.3
72.99312	1.0
73.02950	2.2
79.95748	0.5
83.01400	1.5
83.05035	3.0
85.02959	4.6
86.00130	0.3
87.00859	1.5
89.02450	26.7
95.01411	1.2
96.96016	7.9
97.18860	0.3
98.20698	0.7
99.00874	0.9
101.02455	11.9
107.03511	0.4
110.83517	0.3
111.47665	0.3
112.32693	0.3
113.02459	9.9
119.02660	0.6
119.03515	11.8
121.06602	0.4
125.02489	0.5
131.03500	1.6
139.46483	0.3
143.03505	3.6
149.04625	1.0
161.04573	6.7
161.05891	0.5
179.05626	21.3
180.05925	0.4
198.11375	0.4
205.12360	0.8
209.11948	0.5
235.98811	0.3
239.16653	1.0
241.00230	0.5
241.14503	0.7
322.26596	0.3
359.10339	1.4
359.20773	1.5
364.91559	0.3
385.18845	0.8
401.11368	0.7
401.21829	3.1
402.22272	0.4
428.33005	0.4
445.16949	4.8
446.17371	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35103	0.7
57.03449	73.4
58.03781	1.0
59.01378	18.8
60.98671	0.7
65.36296	0.7
70.02929	4.3
71.01387	11.3
73.02956	3.1
76.02744	0.7
79.95757	0.8
81.03456	1.1
83.01399	2.0
85.02961	5.9
87.00909	1.1
89.02441	1.0
95.01405	1.7
96.96019	12.7
98.20641	0.7
99.00903	1.2
99.04531	58.5
100.04918	1.6
101.02458	22.3
111.00913	1.2
113.02456	4.0
121.02950	3.4
123.00897	15.7
123.04540	0.8
124.01682	91.5
125.02486	27.4
126.02848	1.3
138.03259	11.2
139.04036	100.0
140.04370	5.4
143.03511	2.7
149.02509	1.1
159.03011	0.9
161.04575	9.2
165.05605	2.3
181.05116	1.7
201.48917	0.8
203.05595	3.8
212.24272	0.9
223.06139	1.2
241.00296	0.9
243.08690	1.6
283.08194	15.8
284.08554	1.1
298.87213	0.7
301.09299	6.7
343.10309	5.2
359.10016	1.0
365.18259	3.5
383.13614	0.9
445.13797	15.6
446.14288	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.5
59.01371	2.3
61.98829	0.5
71.01389	2.3
71.71234	0.3
72.99324	0.5
73.02945	0.6
79.95736	2.6
80.96519	1.6
83.01418	0.3
85.02943	2.4
87.00890	0.4
89.02448	0.9
95.95252	1.0
96.96021	75.6
97.95954	0.4
99.04529	1.3
101.02460	1.3
113.02493	0.5
120.01312	0.5
122.97613	0.9
123.00813	0.4
124.01684	2.0
125.02442	0.8
138.03203	0.5
138.97090	4.7
139.04018	2.5
141.10185	0.2
150.97134	1.3
161.04608	0.5
164.98621	0.5
168.98114	0.7
180.98199	0.9
191.02008	0.5
198.99210	3.8
241.00226	9.8
244.26698	0.3
259.01294	2.7
283.08237	0.4
359.10168	0.3
389.85556	0.3
445.13861	100.0
446.14163	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	445.0779
Annotation	Baicalein 6-glucuronide
Peak:m/z	Relative Intensity
50.82427	0.2
57.03448	0.6
59.01377	3.0
63.02397	2.4
65.00329	4.4
68.17060	0.2
69.61618	1.0
69.62037	0.7
69.82697	0.2
70.30859	0.2
71.01386	0.8
73.02965	1.1
75.08523	0.2
79.95744	0.3
83.01381	3.5
85.02963	1.5
87.00890	0.4
89.02464	1.4
93.03483	0.3
96.96013	1.3
98.95619	0.3
101.02467	0.4
102.55032	0.2
107.01401	8.1
107.02138	0.4
107.05084	0.4
111.00913	0.3
113.02456	0.5
117.03507	0.5
119.05051	0.2
121.03000	0.5
123.04601	0.2
124.01684	0.5
125.02457	6.4
126.02792	0.3
131.05049	0.2
133.02956	1.1
135.00880	0.2
135.04532	0.9
137.09836	0.2
145.02950	2.4
147.04558	1.3
148.04941	0.2
149.02458	0.7
151.00386	28.0
152.00813	1.1
153.01956	0.8
158.31729	0.2
159.00900	0.3
159.04521	0.9
160.01631	0.4
161.02455	6.3
162.03328	1.1
163.00388	0.9
163.04012	4.2
164.04402	0.4
165.01971	0.3
167.05008	0.2
169.01442	3.1
169.02831	0.4
171.04581	0.3
173.02470	1.0
174.03215	0.9
175.00421	0.3
175.04016	2.7
176.04379	0.3
177.01964	0.6
178.99870	15.0
180.00235	0.7
183.04552	1.0
185.02477	0.4
186.03221	0.3
187.00394	1.4
187.04057	0.5
188.01027	0.3
189.01953	3.3
190.02635	0.7
191.03488	2.8
192.00655	1.4
193.01385	0.9
193.05045	0.5
195.04572	0.6
196.05315	0.2
197.06128	0.3
198.03302	0.4
199.03992	1.2
201.01961	1.1
201.05614	0.6
202.99826	0.2
203.03542	2.4
205.01399	0.3
207.03029	0.6
209.11896	0.3
210.03375	0.3
211.04048	0.9
213.01968	0.4
213.05571	0.4
214.02736	0.6
214.99847	0.3
215.03452	0.4
217.01396	0.7
217.05072	0.6
219.02991	0.5
221.04581	1.0
223.04037	0.7
224.04776	0.4
225.05574	1.1
227.03462	2.4
228.04106	0.3
229.01408	0.4
229.05060	0.9
231.03072	0.8
235.03993	0.4
239.03531	1.1
240.04225	0.7
241.01500	1.5
241.05052	1.6
242.02188	1.0
243.02962	1.5
245.00961	1.1
245.04578	0.7
247.02525	0.8
247.06049	0.4
249.06003	0.3
251.03458	1.5
252.04195	0.4
253.05069	0.9
254.02158	0.3
255.02934	1.4
256.03738	0.6
257.04510	0.7
261.93405	0.2
265.05057	0.3
267.02951	1.8
269.04517	2.3
270.01767	1.9
270.04645	0.4
271.02399	2.8
272.02853	0.4
273.04062	0.5
274.75742	0.2
275.05585	0.3
279.02939	1.6
280.03781	0.9
281.04568	0.6
283.02454	1.4
283.15509	1.4
284.03195	0.6
285.04010	1.3
293.04449	0.4
295.02469	8.6
296.03171	1.9
297.04028	7.5
298.01193	1.6
298.04501	0.7
299.02029	2.9
300.02597	1.3
301.03464	2.4
302.03882	0.3
309.04068	0.7
310.04663	0.3
311.01981	2.1
312.02750	0.7
313.03546	6.8
314.03964	1.1
315.05014	0.5
323.01971	10.6
324.02521	2.0
325.03616	0.7
327.01474	7.6
327.05087	0.9
328.01846	0.9
337.03546	0.5
341.03024	23.7
342.03394	2.3
343.04581	0.6
353.03128	1.0
355.04663	2.1
371.04047	0.5
373.05563	1.4
383.03973	0.8
409.05331	0.3
427.06714	0.4
445.07736	100.0
446.08072	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3378
Annotation	oscr#34
Peak:m/z	Relative Intensity
57.03454	0.5
59.01382	2.6
61.98829	0.9
67.65047	0.5
69.55031	3.9
75.32028	0.4
78.59312	0.5
83.05024	0.5
89.02440	1.3
91.04013	1.8
94.86924	0.5
132.13031	0.5
151.04077	0.5
203.64922	0.5
208.24898	0.4
235.09805	1.0
277.21762	0.7
281.24771	0.6
305.28427	2.0
307.30051	100.0
308.30417	12.8
325.31104	2.9
351.29050	49.5
352.29358	6.9
369.30093	97.4
370.30414	13.2
443.33752	76.0
444.34088	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	444.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	40.5
58.03785	0.5
59.01374	7.5
69.53300	1.5
69.53721	1.2
71.01376	1.9
73.02966	0.3
81.03445	0.5
83.01405	0.5
85.02960	1.7
89.02462	0.9
94.47839	0.3
96.96024	1.0
99.04527	19.3
100.04864	0.6
101.02449	7.4
113.02458	0.9
119.03529	0.4
123.03275	5.0
125.02463	9.5
126.02820	0.4
138.05627	100.0
139.05969	4.1
143.03571	0.3
161.04585	1.3
180.06764	0.4
192.06683	0.5
261.24069	0.3
282.09827	4.0
283.10043	0.3
300.10864	5.3
318.12009	0.3
342.12036	1.1
382.15228	1.3
444.15070	1.3
451.86267	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.0
58.00595	0.9
59.01377	35.3
60.43373	0.7
63.02404	1.0
65.00336	2.6
69.81953	4.5
69.82378	1.4
71.01382	11.2
71.53074	0.8
73.02947	0.7
83.01385	1.3
85.02961	6.5
87.00866	0.8
88.01779	0.7
89.02448	17.9
93.03463	2.5
95.01398	1.7
96.96023	3.3
101.02448	7.3
107.01408	2.8
109.02971	0.9
113.02452	4.8
119.03522	6.7
125.02399	1.9
129.71371	0.7
131.29994	0.8
133.02982	1.2
137.02477	2.0
143.03531	1.8
143.04958	1.0
145.02989	3.6
147.00978	1.0
149.02348	0.9
151.00383	8.2
157.02940	0.8
158.03740	3.4
159.04504	0.9
161.02443	3.6
161.04556	3.1
162.03117	0.7
163.04022	1.1
169.01474	0.9
171.04492	1.1
172.01605	1.4
173.02454	0.9
175.03957	1.2
178.99850	3.6
179.05592	13.6
183.04550	2.0
186.03157	4.6
187.03891	1.2
189.01892	4.4
191.01929	1.9
191.03542	0.9
198.03201	1.9
199.04005	4.5
201.01929	2.2
203.03601	1.3
214.02737	12.1
215.03450	2.3
216.00662	3.4
217.01251	1.3
218.02060	0.9
226.02734	0.9
227.03442	3.8
229.01439	0.9
241.01419	68.1
242.02156	28.3
243.02876	10.3
244.03381	1.0
245.00888	30.3
246.01204	2.3
255.03120	0.9
270.01672	73.3
271.02432	71.9
272.02808	5.1
273.00320	2.3
274.01004	1.4
282.01718	1.3
283.02484	0.8
297.04013	1.1
298.01193	33.4
299.01950	77.6
300.02344	7.1
301.03311	1.1
307.08084	1.8
311.02005	2.4
313.03497	2.4
314.45956	0.8
341.03027	6.4
417.08115	2.9
445.07721	100.0
446.08035	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1953
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
55.01868	0.7
55.50286	0.3
57.03447	0.9
59.01379	50.6
60.01716	0.7
61.01781	0.3
61.98822	1.6
69.03468	1.0
71.01389	4.1
71.73045	0.5
72.99308	1.0
73.02943	2.0
75.00866	0.8
79.95746	4.2
80.96528	2.1
81.03471	0.5
83.01398	0.9
83.03328	0.3
85.02956	4.5
87.00887	1.0
88.04056	0.4
88.98817	0.4
89.02450	5.2
95.95245	1.6
96.96022	89.1
97.95966	0.5
98.95608	2.7
98.96436	0.6
99.00890	1.2
99.04489	1.6
101.02454	2.6
103.00384	0.8
103.03978	0.4
113.02452	1.7
115.00327	0.3
122.97607	1.1
125.02480	0.6
131.03510	2.1
138.17459	0.3
138.97116	3.4
143.03552	0.5
149.04584	16.7
150.04970	0.9
150.97093	1.4
161.13351	0.9
164.98692	0.9
165.12843	0.7
168.00552	0.4
173.83362	0.3
177.04079	0.5
180.98152	1.0
189.12691	0.4
191.01894	0.8
198.99174	0.9
202.01122	0.4
205.03510	1.3
205.12386	0.4
207.13919	44.2
208.14241	3.3
209.05772	0.3
239.16479	0.6
241.00266	5.2
251.12878	8.7
252.13251	0.8
256.99731	1.5
269.13995	1.2
311.15009	17.6
312.15173	1.9
339.18179	0.8
355.10840	0.6
357.12207	5.8
358.12622	0.7
383.17108	0.8
399.13208	3.1
401.22409	0.5
443.19556	100.0
444.20029	12.6
444.26031	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.265
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22331	0.6
59.01378	100.0
60.01717	1.5
61.98825	3.2
64.47527	0.6
66.45976	0.6
67.16481	0.7
69.16380	0.6
70.17843	3.3
71.01411	0.7
91.04023	0.6
96.96042	3.6
101.02462	0.6
111.04537	1.2
121.02995	0.9
160.77341	0.6
165.12907	1.4
196.27853	0.6
247.20781	1.0
251.90448	0.6
287.49170	0.6
291.19641	22.9
292.20108	2.5
309.20688	29.0
310.21210	2.7
311.22382	0.7
443.23874	1.2
443.28925	1.4
444.18192	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.265
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12389	0.4
59.01379	100.0
60.01715	0.7
61.98820	2.9
71.01398	0.8
71.73193	0.4
72.50676	0.4
78.73470	0.3
85.02988	0.5
89.02460	0.4
91.04019	1.4
96.96024	2.2
101.02435	0.5
107.58547	0.4
111.04553	0.8
111.08193	1.3
197.11852	3.7
221.08228	0.4
244.51199	0.4
291.19672	3.6
302.75992	0.4
309.20718	8.5
310.21103	0.5
345.60376	0.4
443.24136	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	443.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58610	0.6
58.34165	0.6
59.01378	100.0
59.04019	0.6
60.01705	1.3
61.98833	3.2
67.05556	0.5
71.01369	0.6
71.73586	0.9
78.01552	0.7
89.02470	0.7
90.16650	0.6
91.04018	3.5
96.96042	3.1
100.67658	0.6
101.02445	0.6
111.04519	1.0
111.08157	1.8
113.02510	0.6
121.03021	1.2
124.58118	0.6
163.08572	0.6
197.11829	4.7
206.50352	0.7
211.13458	0.8
263.20251	0.8
276.98502	0.7
291.19571	4.6
309.20706	11.7
310.21164	1.5
443.19312	1.0
443.24335	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3379
Annotation	oscr#34
Peak:m/z	Relative Intensity
57.03446	0.9
59.01376	1.4
60.90738	0.2
61.98817	0.4
69.03437	0.3
71.01360	0.2
71.05034	0.5
71.73282	0.3
75.84304	0.2
80.02658	0.2
81.03438	0.2
83.05020	0.3
84.48954	0.2
89.02443	0.8
91.03532	0.2
91.03998	1.3
100.98766	0.2
102.94419	0.2
104.00905	0.2
111.04507	0.3
114.94988	0.2
115.74712	0.2
125.06150	0.2
174.21577	0.2
235.09677	0.2
279.26978	0.9
280.72513	0.2
284.94220	0.2
305.28436	1.6
307.30051	97.9
308.30405	12.1
308.34088	0.4
325.31110	2.4
351.29041	45.6
352.29410	6.6
369.30096	100.0
370.30447	13.1
370.34018	0.2
385.93774	0.2
423.66278	0.2
443.33759	71.8
444.34116	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	443.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.8
57.03447	0.7
58.00584	0.6
59.01381	11.8
67.05606	0.3
71.01389	9.3
71.18170	0.7
72.99300	1.1
73.02947	1.9
79.95729	2.6
80.96533	3.0
83.01379	1.5
85.02950	4.2
87.00883	1.5
87.04526	0.7
89.02451	5.1
95.01392	0.7
96.96023	100.0
97.95992	0.3
98.95601	0.4
99.00898	1.0
101.01795	0.3
101.02457	6.5
101.03098	0.5
110.97592	0.6
111.04547	0.4
113.02451	3.2
119.02785	0.3
119.03499	1.5
122.97610	0.8
128.78578	0.3
138.97086	10.9
143.03503	0.9
150.97083	1.1
161.04584	0.5
164.98723	0.7
168.98119	1.0
178.96024	0.3
180.98169	0.9
190.36473	0.3
193.05029	0.8
198.99178	0.5
207.62141	0.3
222.99173	2.1
241.00230	52.6
242.00575	1.9
281.13782	0.6
292.57730	0.4
357.08670	0.5
363.16516	0.5
380.93414	0.3
443.12259	57.4
443.19150	29.4
444.12625	6.0
444.19571	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	443.1923
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
55.01882	2.1
57.03448	1.8
58.00600	1.7
59.01380	38.7
59.37734	0.3
60.01720	0.4
62.84865	0.4
63.68193	0.3
71.01386	26.1
72.01716	0.4
72.99321	2.5
73.02958	5.3
75.00881	0.5
79.95743	0.5
80.96530	0.4
83.01401	3.9
83.05038	0.8
85.02958	10.3
86.00121	0.4
87.00887	1.6
89.02453	16.3
95.01400	2.4
96.96023	17.3
98.20631	1.0
98.95592	1.0
98.96505	0.4
99.00867	2.0
99.99991	0.4
101.02454	19.5
102.02786	0.7
110.97584	1.9
111.04543	1.8
113.02457	9.1
114.02776	0.4
119.02660	0.4
119.03510	5.4
121.06641	0.5
122.97550	0.4
123.08222	0.5
131.03488	0.4
138.97046	0.4
143.03531	1.0
148.27020	0.3
159.03084	0.4
161.04526	1.1
171.11830	0.7
177.99327	0.3
189.12839	1.3
219.13872	0.6
237.14934	0.8
241.00270	1.9
258.99625	0.3
285.61615	0.4
313.99026	0.3
399.09818	0.4
443.12265	20.5
443.19171	100.0
444.12823	2.0
444.19522	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12408	1.1
53.35442	1.1
59.01383	7.1
59.43325	1.0
60.30806	1.0
61.98824	4.4
70.62497	4.5
73.02963	1.2
96.95988	3.5
97.06564	1.8
113.09721	2.1
115.07621	2.5
141.09207	2.2
155.99709	1.1
164.96410	2.8
165.12885	2.6
167.14479	1.4
180.48312	1.1
181.12311	3.6
183.13919	1.2
193.12331	1.3
195.13918	2.2
211.13341	3.0
221.15414	4.8
222.16106	1.1
236.10428	2.0
240.13731	1.3
247.20551	3.3
273.18469	1.8
281.21103	1.7
291.19662	29.5
292.20010	3.7
309.20715	100.0
310.21021	10.7
313.21539	1.0
326.70486	1.1
441.24951	11.7
442.25665	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	443.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65043	0.8
55.01878	1.0
57.03447	7.2
58.00578	1.0
59.01379	39.7
61.98825	3.1
67.01905	1.7
68.99823	2.5
69.03466	2.6
69.38609	9.7
71.01386	37.9
71.44810	0.8
72.99313	7.7
73.02970	4.1
75.00883	22.3
79.95754	3.2
80.96520	2.1
81.03477	1.2
83.01387	4.9
84.02129	0.9
85.02960	34.0
86.03349	1.0
87.00880	11.3
88.98810	2.8
89.02444	13.0
89.03993	1.6
91.04027	2.1
93.03497	1.9
95.01402	8.2
95.95274	0.9
96.96024	74.6
98.95604	3.8
98.96468	1.2
99.00895	14.2
101.02462	9.0
103.00389	3.7
111.00868	2.5
113.02466	42.9
114.02789	1.1
115.00396	3.4
117.01965	3.6
117.03480	10.4
119.03504	2.7
119.05042	1.6
125.02466	1.5
129.01952	2.6
131.03539	1.5
132.02165	1.2
133.02963	2.5
134.03761	87.4
135.04488	3.4
137.02469	2.2
137.06079	2.1
138.97116	1.2
145.02965	5.3
149.06107	11.0
150.97017	1.0
157.01515	1.3
160.01712	7.3
161.02441	3.9
161.04581	1.1
163.04123	0.9
175.02478	3.8
175.04034	10.6
176.04744	1.0
179.03511	2.1
180.98163	1.2
193.05077	44.6
194.05341	1.8
207.05147	1.6
231.05032	2.3
237.14807	0.9
241.00204	5.3
242.99689	1.0
249.06140	35.4
250.06346	1.5
252.06267	1.1
253.07196	2.3
266.06427	1.3
267.07147	100.0
268.07565	3.9
271.76044	1.0
281.13928	2.2
357.08575	1.4
363.07581	28.4
364.07806	3.2
373.95883	0.9
381.11957	1.6
383.10056	3.1
411.09314	1.5
425.10919	5.7
443.11224	91.1
444.11588	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	441.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61200	0.6
55.01873	1.8
57.03448	13.4
59.01382	6.5
60.89194	0.6
61.98813	3.1
64.89023	0.6
65.63914	0.6
68.99789	0.6
70.47365	2.3
71.01387	3.3
72.99303	1.7
75.00880	1.8
81.45947	0.6
83.01393	3.0
84.02182	2.0
85.02956	100.0
86.03306	2.6
87.00856	1.6
96.95966	0.8
97.02977	0.6
98.19946	0.8
99.02496	0.7
103.00382	2.2
111.00900	4.7
115.00384	1.0
129.01950	10.5
135.33870	0.6
145.01567	0.6
147.03014	13.0
157.92136	0.7
173.00963	2.1
191.01984	36.3
192.02322	1.3
209.03030	1.7
246.10757	0.6
249.18575	1.2
441.21262	2.8
441.26227	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.4
57.03448	13.1
59.01380	8.9
59.58322	0.7
61.98828	3.8
71.01385	2.8
71.73424	0.7
72.99296	0.7
74.42536	0.7
75.62115	0.6
78.28202	0.7
83.01402	1.8
84.02180	2.9
85.02958	100.0
86.03288	1.9
87.00914	0.8
96.96014	1.6
103.00382	0.7
111.00920	1.5
115.00361	0.7
115.57162	0.7
115.92214	0.6
129.01973	8.4
142.17989	0.7
147.03012	9.0
161.78006	0.8
173.00966	1.0
191.01985	33.7
192.02347	1.1
209.03065	2.4
219.42938	0.7
249.18515	0.7
323.21909	0.8
391.58670	0.7
420.52777	0.8
432.76266	0.7
441.21100	1.2
441.26526	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	441.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01911	1.1
57.03447	2.0
58.00625	0.4
59.01378	12.4
61.98857	1.3
69.03457	2.1
69.98059	2.1
71.01385	12.2
72.99342	0.6
73.02956	4.7
75.00877	0.3
78.91918	0.5
79.95734	4.1
80.96519	3.0
81.03490	0.6
81.95335	0.4
83.01405	3.6
85.02956	11.1
85.03447	0.6
87.00913	1.4
89.02450	2.4
93.47299	0.3
95.01418	1.2
95.95255	2.1
96.96021	100.0
97.02988	0.6
97.95958	0.5
98.95615	1.6
98.96452	0.5
99.00865	2.2
99.04572	0.6
101.01788	0.7
101.02455	13.1
102.02773	0.4
109.02975	0.5
111.00880	3.0
113.02469	5.9
119.03521	0.4
119.05002	0.4
120.01280	0.4
122.97597	0.7
125.02456	1.0
125.09744	0.7
127.04038	1.8
129.01917	1.4
131.03525	0.4
133.06676	0.3
134.03769	2.8
135.04527	0.6
138.96068	0.5
138.97098	9.6
143.03471	1.3
149.04465	0.4
149.06058	0.3
150.97018	1.1
152.98566	0.5
159.02908	1.5
160.01608	0.7
161.04617	4.6
164.98621	0.7
168.98024	0.5
171.02959	0.7
175.03925	0.6
177.04079	0.4
180.98012	1.1
191.01770	0.4
191.86537	0.3
193.05031	2.5
198.99182	2.1
199.09755	1.9
205.03505	0.7
222.99153	1.5
226.01013	0.4
241.00230	45.7
242.00529	1.6
249.13419	26.4
249.17116	0.9
250.13684	1.6
256.99417	0.9
266.06165	0.4
337.08685	0.4
381.17651	19.0
381.22070	0.9
382.17139	1.6
405.06549	0.4
411.12482	1.0
441.09268	23.1
441.22562	1.5
442.09473	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.2
55.68027	0.3
57.03439	3.3
58.00576	0.5
58.02957	0.5
59.01377	22.8
61.98830	2.9
69.03468	2.4
70.04729	0.4
71.01383	18.6
71.73103	0.6
72.01731	0.4
72.99303	1.5
73.02949	8.6
75.00861	0.6
78.95905	0.7
79.95729	4.4
80.16592	0.3
80.96534	3.5
81.03468	0.5
81.10317	0.4
83.01392	5.0
85.02448	0.7
85.02960	11.9
86.03252	0.3
86.67721	0.5
87.00885	2.4
87.23353	0.3
89.02456	3.6
95.01408	1.4
95.95225	0.7
96.96021	100.0
97.02934	0.6
97.95930	0.5
98.95609	3.7
98.96273	0.6
99.00870	3.0
99.04527	0.4
101.02454	22.1
108.04562	2.1
111.00916	1.2
113.02464	9.1
113.24396	0.4
117.03460	0.9
119.03564	0.7
119.05055	1.6
122.97610	0.5
125.02472	1.0
125.09751	0.8
128.03560	0.7
129.01953	0.8
129.10391	0.5
131.03516	0.9
131.08292	5.1
135.04556	0.6
136.04057	1.9
138.97098	2.3
139.04025	0.4
143.03537	1.3
145.02985	4.6
149.04608	0.5
150.97166	1.1
152.98703	1.7
155.10881	1.3
159.03110	1.2
160.03973	0.4
161.04562	6.5
163.04018	1.7
168.98219	0.5
173.10457	2.2
175.11327	0.5
180.98112	1.8
193.05260	0.4
198.99222	0.4
199.09782	2.0
200.17831	1.1
205.03708	1.4
241.00224	44.0
242.00488	2.0
249.09669	1.1
249.13417	44.9
250.13774	2.3
265.05743	0.6
313.26120	1.9
327.67429	0.4
361.02127	0.6
361.06052	3.2
362.06604	0.7
381.13025	1.5
381.17664	31.9
382.17935	2.9
397.14496	0.9
397.19354	0.7
441.02066	1.6
441.15121	46.1
441.29037	6.0
442.15430	4.9
442.29535	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13609	0.3
57.03437	0.6
59.01378	100.0
60.01713	1.3
61.98833	0.6
69.03462	0.7
71.01388	4.0
71.11740	0.9
73.02950	3.0
79.95751	0.6
80.96541	0.3
83.01408	0.4
84.70392	0.2
85.02966	1.1
87.00883	1.4
89.02450	15.3
90.61839	0.3
95.95271	0.3
96.96021	12.6
98.95604	0.6
99.04538	0.5
101.02467	1.4
103.00394	0.5
103.04021	0.9
105.01952	0.6
105.07100	0.7
113.02449	0.6
121.03020	0.2
122.97646	0.3
129.02039	0.3
131.03520	4.3
135.11853	0.4
138.97092	0.4
140.60623	0.3
142.79907	0.3
149.04572	66.4
150.04935	1.9
150.06879	0.9
161.04526	0.4
161.13385	8.6
162.13707	0.5
179.10791	0.7
187.11295	0.3
205.12335	42.3
206.12695	3.1
223.09865	0.4
223.13409	1.5
241.00206	1.4
249.11327	4.9
250.11734	0.4
251.11258	0.7
256.99692	0.3
265.14368	1.6
267.12506	0.4
293.12460	0.6
309.13464	6.0
310.13776	0.7
337.16968	0.4
415.01929	0.3
433.42941	0.3
441.17911	17.9
442.18225	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	441.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95643	0.4
51.60711	0.4
55.01891	0.7
57.03440	0.5
58.36465	0.4
59.01380	6.9
61.98824	0.7
67.42574	0.3
69.50296	0.4
69.76013	0.8
69.76427	2.0
70.18507	0.4
71.01387	8.1
72.99307	1.0
72.99710	0.4
73.02954	1.4
79.84704	0.4
79.95745	2.7
80.96514	1.5
83.01379	1.6
85.02963	3.1
85.04993	0.5
87.00849	0.8
87.10683	0.4
88.93299	0.3
89.02456	1.1
95.01397	0.5
95.95274	0.5
96.96018	65.9
97.95951	0.5
98.20586	0.7
98.95645	0.4
101.02456	3.7
113.02442	2.4
122.97634	0.7
125.02435	0.4
138.97064	3.4
139.11299	0.6
143.03535	0.4
149.15744	0.4
150.97095	0.9
180.98235	0.5
181.12321	0.7
198.99187	1.1
199.13408	9.7
199.41000	0.4
200.13766	0.7
202.04216	0.4
222.99245	0.4
241.00204	9.5
242.00488	0.4
247.31685	0.4
343.17685	2.4
361.18655	33.9
362.19070	3.0
397.15363	1.4
441.14322	100.0
442.14639	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	441.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93259	0.2
57.03447	0.3
57.65312	0.2
59.01378	100.0
60.01704	1.2
61.98825	0.7
69.03444	0.4
69.59769	0.6
69.60197	1.0
71.01389	3.1
72.99319	0.2
73.02953	2.4
73.51576	0.2
75.00859	0.4
75.24790	0.2
79.95741	1.0
80.96526	0.5
83.01402	0.2
83.05050	0.2
85.02952	1.4
87.00864	1.3
89.02454	9.6
90.98618	0.2
93.07097	0.7
95.95249	0.5
96.96018	23.5
98.95602	0.8
99.04518	0.4
101.02446	0.9
103.00404	0.3
103.04013	0.9
104.57158	0.2
105.01933	0.6
105.07087	0.5
107.05080	0.2
111.04537	0.2
113.02470	0.5
113.06092	0.2
117.02010	0.2
120.87882	0.2
122.97649	0.3
131.03522	2.9
135.04591	0.2
135.08113	0.3
135.11835	0.3
138.97075	0.8
147.02917	0.2
149.04573	39.0
150.04926	0.9
150.06837	1.1
150.97064	0.4
159.11790	0.3
161.04489	0.3
161.13383	7.2
162.13698	0.5
179.10831	0.5
187.11264	0.7
198.99066	0.2
205.12343	54.3
206.10910	0.2
206.12668	4.7
223.13390	1.7
241.00211	1.3
249.11316	7.2
250.11583	0.6
265.14386	1.3
266.14569	0.2
267.12323	0.7
267.15137	0.2
309.13440	10.3
310.13730	1.2
337.16415	1.6
338.16855	0.3
375.59525	0.2
381.15552	1.3
409.98419	0.2
441.17709	29.3
441.24915	5.5
442.17999	4.2
442.25314	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70981	0.4
55.01874	0.6
57.03437	1.2
59.01379	10.4
61.98835	1.2
66.03513	0.6
71.01386	10.8
71.73033	0.4
72.36387	0.4
72.99317	0.6
73.02945	1.3
73.72546	0.4
75.00898	0.5
76.38472	0.5
79.08908	0.4
79.95750	3.2
80.96549	1.2
83.01408	1.1
85.02960	3.9
87.00877	1.3
89.02448	3.2
93.03472	0.7
95.01406	0.5
95.95246	1.3
96.96021	80.8
98.95592	2.4
98.96419	0.8
99.00912	1.2
101.02442	4.9
102.03941	0.5
113.02462	3.0
119.03500	1.6
122.97579	0.9
129.01941	0.9
135.04428	0.5
138.97075	3.5
150.97044	1.6
168.61621	0.4
168.98061	0.5
177.01982	0.7
180.98145	0.8
181.12347	2.1
198.99176	1.0
199.13391	7.0
207.86249	0.5
241.00229	12.9
241.02704	0.7
242.00258	0.5
328.87515	0.5
343.17587	1.2
361.18668	23.0
362.19006	2.5
397.15463	1.3
441.14319	100.0
442.08975	0.7
442.14655	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	441.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.7
58.00589	0.3
59.01381	7.0
62.10866	0.3
69.65153	2.4
71.01386	5.9
72.99313	0.9
73.02948	0.5
75.00877	4.8
75.61882	0.3
78.19559	0.3
79.49374	0.3
79.95744	2.7
80.96544	1.1
83.01408	0.6
85.02960	3.7
87.00861	0.5
89.02451	3.2
95.01428	0.3
95.95232	1.0
96.96021	93.0
97.02959	0.4
98.19869	0.4
98.20451	1.0
98.95564	0.3
99.00890	1.2
101.02455	3.4
107.46611	0.3
111.00962	0.4
111.04524	0.7
113.02442	1.9
114.62878	0.3
115.04074	0.4
115.92090	0.5
116.92869	1.0
119.03492	1.6
119.08677	4.2
129.01996	2.0
131.03531	0.4
138.97086	2.8
149.04611	0.3
150.97095	0.4
153.80330	0.3
159.03014	1.7
161.04568	0.4
161.11865	0.3
162.32050	0.3
163.07663	1.7
168.98080	1.8
176.98720	0.4
177.04062	20.5
178.04448	0.6
181.08649	0.7
194.99667	0.9
198.99159	1.0
213.00771	2.2
241.00232	2.6
256.99713	11.4
259.01175	0.5
343.13904	1.9
361.14926	1.5
379.10767	0.4
383.63043	0.3
441.10651	100.0
442.10980	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	441.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89894	0.3
57.03457	0.3
59.01378	2.4
64.29255	0.3
68.99838	0.3
69.59836	2.5
71.01373	2.0
73.02969	0.9
79.95741	4.0
80.96518	3.1
83.01425	0.7
85.02928	1.5
87.00896	0.5
89.02475	0.6
96.96019	100.0
97.02963	0.5
98.20733	0.4
98.95595	1.0
99.00858	0.4
101.02454	1.4
102.95062	0.3
108.02290	0.3
109.02940	0.8
111.04543	0.3
113.02453	1.3
121.02905	0.5
122.97581	0.5
123.04501	0.8
125.01630	0.4
125.02460	4.9
125.48408	0.3
135.04462	0.5
137.02464	0.7
137.09669	1.0
138.97090	9.0
139.00247	0.3
143.03458	0.6
149.31842	0.3
150.96967	0.8
151.03951	0.3
155.10805	4.7
161.04466	0.4
164.98575	0.6
168.98100	0.8
169.01437	8.0
180.97975	0.6
198.99197	1.9
199.09753	3.0
199.13304	0.3
203.07011	0.6
222.98914	1.2
227.28845	0.3
241.00223	37.6
241.03691	1.2
241.10544	0.7
242.00557	1.5
245.07906	0.4
271.05817	0.4
279.08817	0.4
289.07172	2.6
314.85696	0.3
321.09537	1.0
331.14978	0.3
375.96021	0.3
381.11426	0.9
429.43307	0.3
441.09445	29.6
441.22574	1.2
442.09592	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	439.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54800	1.5
59.01389	6.9
61.98829	5.1
69.62657	14.7
71.01398	9.1
73.02961	7.6
79.95760	2.8
85.02978	7.0
89.02466	2.0
99.92594	3.4
101.02453	50.0
113.02512	1.9
131.03554	3.2
142.28897	1.8
160.84213	14.8
161.04567	18.9
162.83925	40.6
163.11263	2.0
191.01833	2.0
277.21716	100.0
278.21957	10.2
339.19797	2.6
349.31274	1.9
439.06284	5.0
439.27887	3.4
440.05588	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	439.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50240	0.5
55.01865	0.9
57.03448	4.8
58.00579	1.7
59.01379	28.8
60.99297	0.5
61.78091	0.4
61.98839	1.2
64.89001	0.4
67.63898	0.5
69.03465	3.0
71.01388	25.2
71.05030	0.6
71.72936	0.6
72.99318	12.1
72.99728	0.8
73.02949	1.7
75.00883	0.8
77.72830	0.4
81.03458	9.0
83.01399	10.9
84.01717	0.6
84.02184	1.1
85.02958	43.0
86.03279	0.7
87.00890	1.4
87.04507	0.4
89.02454	18.4
90.02742	0.5
95.01413	0.6
96.96025	0.5
97.02971	8.2
99.00905	0.7
99.04524	7.1
101.02465	3.3
113.02448	2.7
115.04003	1.2
125.02460	1.8
129.01955	1.1
131.03522	30.7
132.03889	0.5
141.01917	1.1
143.03511	9.6
159.03056	0.6
161.04576	100.0
162.04927	3.5
179.05627	5.2
277.21725	75.9
278.22079	7.7
280.00018	0.6
281.18243	0.5
291.23224	0.8
301.21695	0.7
345.24347	0.5
362.42175	0.5
365.26834	0.7
439.27005	77.4
440.27362	12.5
440.32205	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03039	0.9
55.01883	1.0
57.03446	2.0
58.00591	1.8
59.01377	23.8
61.98819	3.5
63.69645	0.9
71.01386	28.3
71.72874	2.0
72.99304	1.8
73.02955	8.7
75.00871	6.2
78.95885	1.0
83.01399	2.0
85.02956	12.2
89.02452	6.0
95.01411	3.4
95.03876	1.1
96.96024	1.7
97.02968	1.4
101.02454	7.8
113.02463	19.9
113.99026	0.9
125.02490	1.2
125.06040	1.1
147.03030	1.3
161.04616	4.7
167.10768	1.1
177.09129	1.1
191.02016	1.5
209.03058	1.7
259.20673	1.2
271.22791	5.8
273.15884	1.2
273.22171	6.5
277.21719	100.0
278.22086	12.9
291.23242	20.8
292.23654	2.8
301.21671	4.3
319.22769	18.0
320.23083	3.1
331.22736	6.3
349.23819	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	439.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44951	0.4
57.03397	0.7
59.01323	11.6
59.01641	0.9
60.82666	0.4
61.98785	0.9
69.98534	0.4
70.00835	1.2
70.01252	1.1
71.01382	2.2
72.99271	0.4
73.02939	2.1
75.00848	0.5
78.95846	0.4
79.95742	2.1
80.96507	0.7
85.02944	2.1
88.98800	0.4
89.02408	0.9
93.03408	1.8
95.95175	1.3
96.12488	0.5
96.96022	41.9
98.95595	1.9
99.00866	0.6
101.02420	1.3
109.02901	0.6
111.00887	0.8
113.02415	1.2
117.88420	0.4
119.49325	0.4
121.03012	2.7
122.03753	6.3
125.02390	0.6
131.03662	0.5
133.02969	0.7
133.06607	0.5
134.03702	0.6
135.04515	1.1
136.01662	0.9
137.02478	3.9
137.06055	0.5
138.97099	2.4
149.02461	20.6
149.06131	0.6
150.03246	49.1
150.97037	0.8
151.03583	2.5
153.05698	0.4
164.04802	5.0
165.01949	24.5
165.05586	55.3
166.02342	1.6
166.05904	3.5
169.05066	0.5
173.04550	0.9
179.03450	0.6
180.04306	22.2
181.04787	2.0
188.76714	0.5
191.05675	1.9
195.06636	100.0
196.06958	5.6
197.08090	0.5
198.99254	1.1
222.99146	0.5
225.07646	0.5
233.06665	7.6
234.07069	0.5
241.00217	7.7
243.08731	3.0
249.06288	1.3
252.94261	0.4
259.01294	1.0
301.07343	1.9
301.10416	0.4
315.08685	0.8
316.09470	1.9
331.11880	8.3
331.15497	0.6
391.14011	14.5
392.14761	1.8
439.13144	22.2
439.17239	3.0
440.13461	2.8
440.18857	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.128
Annotation	Trp-Asn-OH
Peak:m/z	Relative Intensity
51.87296	0.2
57.03445	0.6
59.01373	3.9
61.55983	0.2
61.98829	4.5
63.99239	0.2
69.59606	2.0
71.01386	1.5
72.99315	0.7
73.02940	0.5
77.20727	0.2
78.95901	0.4
79.95737	3.1
80.96513	1.5
83.01364	0.6
85.02950	2.0
86.18555	0.2
87.00880	0.4
89.02454	1.1
94.66740	0.2
95.95237	0.8
96.96020	74.6
98.95582	0.9
99.00890	0.2
99.04504	0.4
101.02454	2.1
110.00124	0.2
113.02468	1.0
115.92117	0.3
119.05026	0.3
120.01247	0.7
122.97577	0.4
129.01991	0.3
133.06615	0.4
138.97108	1.9
143.03554	0.3
145.02988	0.3
149.04567	0.3
149.06044	0.3
150.97081	0.9
152.98631	0.7
161.04601	0.4
165.05632	0.3
177.03999	0.4
178.05237	0.2
180.98109	2.4
191.01920	0.2
193.05099	0.3
197.07196	0.4
198.04074	0.4
198.99213	1.0
227.12889	0.9
241.00230	9.2
256.99747	0.7
259.01297	0.7
345.04404	0.3
359.12805	0.3
381.08658	0.9
387.52594	0.3
395.10287	0.7
409.08282	0.5
421.11465	1.5
439.12759	100.0
440.13071	10.4
457.70395	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73896	0.1
59.49969	0.1
63.17277	0.1
70.49332	0.5
79.95747	7.0
95.95253	0.2
96.96023	100.0
97.95943	0.4
110.97591	0.5
113.18764	0.1
121.02935	0.3
122.97600	0.1
128.42091	0.1
135.04572	0.2
137.02472	0.6
144.78824	0.1
147.04515	0.2
150.03285	0.1
151.04025	0.3
180.07843	0.2
183.56615	0.1
214.66856	0.1
230.99652	0.2
241.61948	0.1
251.07152	0.2
269.08154	2.0
270.08636	0.3
271.09589	0.2
280.74020	0.1
281.08304	0.3
299.09222	1.2
300.09979	0.4
314.11600	2.0
315.12292	0.4
329.13925	0.3
375.83990	0.1
424.08133	0.2
439.10684	39.0
440.11032	5.2
440.16202	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	439.107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42761	0.1
55.01890	0.1
57.03445	0.4
59.01378	1.4
61.98834	1.8
69.03455	0.2
71.01377	0.5
71.73151	0.2
72.99291	0.1
73.02959	0.2
75.00877	0.2
79.95743	3.3
80.96535	0.2
83.01402	0.2
85.02955	2.0
87.00874	0.2
88.74237	0.1
89.02444	0.2
93.03426	0.1
95.95260	0.8
96.96021	100.0
97.02926	0.1
97.95964	0.3
98.95617	0.1
99.00914	0.2
101.02433	0.3
101.06081	0.2
103.43767	0.1
109.02953	0.1
110.97598	0.4
111.00871	0.2
113.02482	0.2
119.05085	0.2
121.02959	0.2
122.97605	0.4
123.04533	0.1
123.25880	0.1
125.02494	0.2
129.01956	0.2
131.03467	0.1
135.04523	0.1
137.02444	0.3
138.97108	0.3
144.04228	0.1
145.02913	0.1
147.02995	0.1
149.02524	0.1
150.97063	0.3
151.04063	0.1
151.97804	0.1
153.01895	0.1
155.26990	0.1
163.04027	0.1
165.01941	0.1
185.00816	0.1
191.01965	0.4
211.13281	0.1
241.00227	0.5
249.06224	0.2
256.99832	0.2
269.08234	0.3
289.07199	0.2
293.08844	0.2
299.09241	0.2
314.11682	0.3
329.14023	0.2
438.72150	0.1
439.10861	20.3
439.16449	3.6
439.59616	0.1
440.11047	2.6
440.16815	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.128
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.8
57.60698	0.3
59.01096	0.4
59.01374	4.3
60.13761	0.3
61.98817	0.8
65.80173	0.3
71.01389	3.4
71.72430	0.5
72.99300	0.5
73.02951	0.7
79.95746	4.9
80.96523	2.2
81.55225	0.3
83.01383	0.4
85.02955	2.1
87.00889	0.8
88.98837	0.4
89.02439	1.2
95.95252	2.2
96.96024	100.0
97.06585	1.0
97.95966	0.5
98.95605	2.5
98.96443	0.5
99.04568	0.3
101.02453	2.3
107.67887	0.3
113.02435	1.3
119.03501	0.3
122.97601	1.0
133.06644	0.5
138.97081	6.3
143.03638	0.4
149.02521	0.5
150.03291	1.1
150.97069	1.6
156.69005	0.3
159.06677	0.7
164.04849	0.9
164.98663	0.9
165.01978	0.8
165.05644	1.5
168.98227	0.9
179.07111	0.5
180.04456	1.0
180.98187	0.9
182.05963	0.9
191.07217	0.3
195.06638	2.3
197.08220	1.5
198.99226	3.3
219.05344	0.3
222.99335	0.9
225.00844	0.3
241.00243	17.5
242.00809	0.6
247.12035	0.9
259.01291	2.3
295.14120	0.4
296.42761	0.3
301.02307	0.3
353.12943	0.3
375.08347	0.3
379.16296	0.5
381.08960	0.9
391.14105	0.4
395.10205	0.6
407.10364	0.4
409.08221	0.4
421.12271	1.3
439.13245	87.5
440.13544	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	439.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
61.63359	0.1
62.96413	0.2
65.43277	0.1
69.78732	1.1
78.95907	40.0
81.79148	0.2
96.96068	7.8
96.96968	100.0
98.19883	0.3
341.10565	0.2
439.08652	2.0
440.08713	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65418	0.2
51.98963	0.3
59.01372	0.5
68.64706	0.2
69.60750	2.4
78.95907	42.1
79.18468	0.2
79.95757	0.5
85.02975	0.3
96.96021	30.5
96.96970	100.0
135.75172	0.2
136.62752	0.2
151.66077	0.2
215.97539	0.3
229.56950	0.3
414.33890	0.3
439.08710	2.7
452.03271	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	1.3
57.03453	1.4
59.01380	3.9
61.44579	0.2
61.98827	1.3
70.45520	0.5
70.45929	0.5
71.01382	2.7
72.99312	0.7
73.02953	1.0
75.00861	0.6
78.95898	0.5
79.95741	8.2
79.96191	0.5
80.96526	2.2
83.01385	0.5
85.02957	2.9
87.00874	0.7
87.10136	0.3
89.02451	1.3
93.03493	1.2
95.95247	5.0
96.96021	100.0
97.02958	0.2
97.95950	0.3
98.95620	1.1
99.00891	0.6
101.02456	2.7
110.97587	0.9
113.02474	2.3
117.01963	0.3
117.03488	0.7
119.05013	1.9
119.35594	0.3
120.01254	1.2
122.97603	0.8
123.03291	0.6
125.02467	0.4
129.01967	0.3
133.06613	15.4
134.06908	0.6
135.04492	0.5
136.07674	0.6
137.02437	0.4
138.05624	3.4
138.97070	1.9
139.04037	0.3
145.02933	0.3
149.02460	0.6
150.03241	2.2
150.97034	1.3
152.98668	1.4
159.04472	1.2
161.06006	0.8
165.01952	1.8
165.05562	1.9
169.06689	0.3
171.04562	0.7
171.08104	0.5
172.05261	1.1
173.06093	1.3
179.83159	0.3
180.04324	1.4
180.98152	2.5
182.04486	0.4
182.05852	0.5
187.04036	0.4
187.07678	0.6
189.09192	1.1
191.02003	0.4
191.07133	1.2
193.12354	0.4
195.06625	4.4
197.06032	0.4
198.99156	0.3
199.07613	0.9
214.06306	0.7
215.05171	0.4
215.07115	4.5
225.00746	2.1
225.07645	0.6
233.08191	5.1
234.08481	0.5
241.00221	12.9
242.00494	0.7
249.06039	0.5
256.99573	1.2
259.01315	0.5
277.06970	0.8
285.02798	1.4
319.12741	0.8
331.11737	0.4
379.18970	0.3
391.13855	0.6
395.05850	0.3
395.13531	2.2
396.13956	0.5
424.06815	1.6
439.08905	65.4
440.09143	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	439.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31320	0.2
59.01378	2.0
60.39478	0.2
69.93362	1.4
71.01395	1.9
73.02946	0.4
79.95747	4.2
80.96523	2.3
83.01382	0.4
85.02968	1.2
87.00904	0.9
89.02443	0.3
95.95238	1.4
96.96021	100.0
97.95982	0.5
98.20563	0.4
98.95628	0.5
99.00894	0.2
101.02445	0.9
110.97601	0.9
112.37926	0.2
113.02478	0.5
114.05642	0.2
119.05093	0.5
122.97625	0.5
125.02416	0.3
133.06612	1.3
137.02425	0.2
138.97087	5.7
140.72412	0.2
143.03452	0.3
150.03256	0.4
150.97090	0.8
164.98625	0.7
165.01945	0.5
165.05598	1.0
168.98088	0.7
180.04335	0.5
180.98134	0.6
195.06667	1.1
197.08170	0.6
215.07112	0.4
222.99135	1.2
225.00716	0.7
227.00208	0.2
241.00238	20.9
242.00476	0.8
259.01373	0.4
310.37967	0.2
391.13907	0.3
407.06573	0.7
425.07816	0.4
428.07056	0.2
439.09106	45.1
440.09470	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	439.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27519	0.3
59.01109	0.4
59.01369	2.0
61.98828	0.3
71.01385	2.2
72.99310	0.4
73.02956	0.5
75.00903	0.3
79.95744	3.8
80.96517	2.8
83.01369	0.4
85.02968	1.6
87.00888	0.8
89.02471	0.4
95.95248	0.8
96.96020	100.0
97.02943	0.5
97.95953	0.5
98.95599	0.5
99.00898	0.4
101.02454	1.6
103.97539	0.2
113.01332	0.2
113.02442	0.8
114.54291	0.3
116.92842	0.4
122.97605	0.3
125.02462	0.4
138.97093	7.3
143.03493	0.4
150.97087	0.9
153.09206	0.8
161.04849	0.4
164.98608	0.8
168.98112	0.5
180.98169	0.4
197.08209	0.6
198.99156	1.0
205.03714	0.4
222.99135	1.7
241.00224	51.8
242.00516	1.8
245.09238	0.3
283.10657	0.3
314.11716	0.4
314.78738	0.2
345.10861	0.5
395.13779	1.0
439.09360	19.7
440.09787	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.2
57.03440	0.3
58.04125	0.2
59.01377	4.7
61.98826	1.2
69.03460	0.3
71.01392	1.8
71.06139	0.2
71.73227	0.3
72.99301	0.3
73.02945	0.6
75.00883	0.4
78.95898	0.3
79.95744	6.8
80.96522	1.9
81.95304	0.2
83.01392	0.3
85.02957	1.7
87.00878	0.8
89.02468	0.4
95.01414	0.2
95.95238	4.7
96.96020	100.0
97.95962	0.4
98.95587	0.5
99.00883	0.5
101.02431	1.1
113.02451	0.8
113.33891	0.2
122.97599	0.6
129.01988	0.2
138.97084	4.4
141.95787	0.6
143.03542	0.3
150.97064	1.0
160.59288	0.2
161.06842	0.2
164.98650	0.7
168.98163	0.3
180.98116	0.7
182.99623	0.3
191.01945	0.3
197.06125	0.7
205.07730	1.0
222.99226	0.8
225.00748	1.8
227.16551	0.7
233.07204	1.4
241.00229	15.2
242.00592	0.8
277.06027	0.9
323.91544	0.2
378.27325	0.2
409.22647	0.3
438.22382	0.3
439.06973	41.4
439.16519	6.1
439.23557	9.2
440.07281	4.9
440.16791	0.6
440.23840	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08405	0.2
56.22133	0.2
57.03445	0.4
59.01385	3.7
61.98830	0.7
67.55929	0.2
69.64606	0.4
69.65016	1.2
71.01392	2.5
72.99304	0.7
73.02958	0.6
75.00869	0.7
79.95745	3.1
80.96513	1.5
83.01385	0.5
85.02956	3.1
87.00908	0.5
88.98856	0.2
89.02468	1.1
94.98079	0.3
95.95248	0.7
96.96023	69.4
97.95923	0.2
98.20573	0.4
98.95618	0.5
99.00882	0.5
99.92592	0.6
101.02454	1.5
111.00881	0.2
113.02483	1.1
115.92085	0.8
116.92872	0.7
119.03555	0.3
120.01247	0.6
122.97594	1.3
129.01973	0.4
134.03717	0.2
134.06087	0.5
138.05605	0.7
138.97057	1.3
143.03481	0.3
150.97064	1.7
152.98633	0.4
164.98647	0.5
180.04282	0.2
180.98122	1.1
187.09720	0.2
191.01958	0.5
195.06633	0.5
198.99179	0.4
215.12614	0.2
222.99194	0.3
241.00243	7.3
242.00475	0.3
255.11392	0.7
259.01163	0.2
266.06454	0.3
285.02838	0.6
381.93872	0.2
410.30273	0.2
419.15421	0.3
437.11240	100.0
438.11581	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	437.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65971	0.3
55.78363	0.2
57.03439	0.7
59.01374	4.2
59.77517	0.2
61.98819	0.4
69.93875	1.1
69.94291	0.5
71.01391	1.9
72.99312	0.5
73.02937	0.9
75.00893	0.3
79.95740	4.3
80.96529	2.0
83.01379	0.4
85.02957	3.2
85.10546	0.2
87.00877	1.0
89.02456	0.9
90.40248	0.2
95.01439	0.3
95.95245	1.1
96.96020	79.9
97.95911	0.3
98.95615	0.5
99.00916	0.3
101.02463	1.8
113.02452	0.8
115.92085	0.8
120.01259	0.7
122.97585	1.1
135.08139	0.5
137.09784	0.3
138.05637	0.5
138.97102	2.5
143.03462	0.3
145.78596	0.3
150.03201	0.5
150.97096	1.9
152.98689	0.4
164.98615	0.7
165.01981	0.8
167.03587	0.4
173.16019	0.2
177.09262	0.5
180.04282	1.2
180.98137	1.4
191.01985	0.6
193.12347	1.7
195.06593	1.8
195.10327	0.4
198.99094	0.4
205.78174	0.3
211.13409	0.4
222.99187	0.4
225.00714	0.4
241.00235	9.0
253.14307	0.4
255.11465	0.7
259.01294	0.4
266.06525	1.6
266.56580	0.3
285.02814	0.8
357.31006	0.3
419.37839	0.2
437.11224	100.0
438.11548	10.9
453.17944	3.2
454.18066	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21466	0.2
59.01376	1.4
60.79207	0.2
69.57417	2.2
71.01376	2.5
72.99310	0.6
73.02943	0.7
78.95911	0.5
79.95748	3.1
80.96524	3.0
83.01382	0.4
85.02947	1.4
87.00866	1.1
89.02453	0.2
89.48623	0.2
95.95265	0.3
96.96021	100.0
97.02962	0.2
97.95946	0.3
98.95596	0.4
99.00900	0.6
101.02459	1.0
110.97601	0.3
113.02455	0.8
119.05109	0.2
122.97567	0.6
123.00889	1.0
125.02457	0.3
133.06622	0.6
138.03235	0.3
138.97089	9.6
143.03546	0.6
149.02727	0.3
150.97064	1.1
157.67453	0.2
161.04514	0.3
164.98640	0.9
165.05443	0.2
166.99864	1.1
168.98117	0.6
171.58005	0.2
180.98114	0.7
182.02225	3.1
183.02686	0.2
187.09932	0.2
195.06595	0.3
197.04564	3.5
198.99310	0.3
199.41264	0.3
213.90501	0.2
222.99246	1.6
223.99229	0.3
233.08281	0.2
241.00232	58.1
242.00514	2.3
312.30682	0.2
351.07611	0.2
375.50659	0.3
439.05450	25.8
440.05652	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	437.0759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.2
57.03447	0.5
59.01374	2.7
61.98840	0.5
63.64733	0.2
69.39124	2.2
71.01381	2.4
72.99319	0.6
73.02959	0.9
75.00881	0.5
79.95742	4.3
80.96528	2.2
83.01383	0.4
85.02945	1.7
87.00887	1.3
89.02466	0.6
95.01361	0.3
95.95244	2.2
96.96018	100.0
98.20764	0.3
98.95589	0.7
99.00898	0.5
99.92587	0.3
101.02458	1.2
110.97589	0.3
113.02439	0.9
115.92087	1.3
116.92892	0.4
120.01243	0.4
122.97558	0.6
125.02404	0.2
125.23202	0.2
126.57638	0.2
138.05556	0.3
138.97083	5.2
143.03494	0.3
146.74957	0.2
150.97099	1.3
152.98653	0.3
161.04523	0.3
164.98662	1.1
165.01930	0.3
168.98181	0.3
180.98015	0.8
187.39850	0.2
191.01891	0.2
195.06628	1.1
222.99115	1.1
225.00563	0.8
241.00229	17.9
242.00314	0.8
242.99667	0.3
249.06110	0.4
286.08185	0.3
301.10580	0.3
352.67755	0.2
365.42978	0.2
393.04688	0.3
437.06921	38.9
438.07324	4.5
438.82898	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78661	0.2
57.03444	1.0
57.19175	0.2
59.01382	3.5
61.98819	0.5
69.65473	0.2
70.91490	0.5
70.91831	0.3
71.01389	2.4
72.99316	0.4
73.02953	0.7
75.00867	0.3
79.95744	3.4
80.96132	0.2
80.96529	1.5
83.01405	0.5
85.02961	5.5
86.03291	0.3
87.00877	0.6
89.02439	0.6
95.95239	1.3
96.62449	0.2
96.96022	79.6
98.95599	0.5
99.00887	0.6
99.92600	0.5
101.02441	1.9
111.00848	0.5
113.02469	0.7
115.92101	1.8
116.92874	0.8
119.05028	0.3
120.01258	0.3
122.97566	0.8
125.02450	0.6
129.01961	0.7
138.05658	0.3
138.97063	1.1
147.03044	0.3
150.97063	1.2
151.07620	0.3
152.98645	1.0
157.94025	0.2
161.04591	0.3
163.04091	0.3
164.98706	0.2
177.04073	0.2
180.98141	2.8
191.02013	1.8
195.06540	0.3
201.11411	0.4
205.03561	0.9
222.99275	0.3
225.00887	0.3
228.94513	0.2
241.00243	8.8
242.00627	0.3
249.06154	0.2
256.99701	0.5
257.93616	0.3
285.02682	0.5
316.21198	0.3
351.05850	0.4
357.15619	0.3
393.07309	0.4
422.08685	0.3
437.11221	100.0
438.11499	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22332	0.5
55.01879	2.3
57.03453	12.0
59.01380	10.8
61.98832	5.1
69.03452	0.8
69.80550	1.8
69.80981	2.3
71.01397	4.1
72.99306	2.0
73.02944	0.7
75.00880	2.0
78.95912	6.1
79.95752	2.1
83.01404	2.2
83.09422	0.5
84.02174	2.5
85.02961	100.0
86.03292	2.5
87.00886	1.8
89.02513	0.9
93.05241	0.6
93.47400	0.5
95.95224	1.4
96.96028	16.6
96.96995	0.7
98.95625	2.4
98.96416	0.9
101.02471	1.1
103.00400	2.4
103.04836	0.6
111.00890	2.5
113.02489	0.7
122.97584	0.6
129.01955	10.6
147.03027	11.9
171.00671	3.3
173.00877	1.4
185.00931	0.7
191.02003	49.6
192.02306	2.0
209.03069	1.3
209.08366	0.6
217.01416	0.6
225.41600	0.6
241.00249	2.0
243.19612	2.9
256.03384	0.6
271.02502	0.6
273.03180	0.8
301.03433	0.9
302.03473	1.9
303.04050	1.3
341.06696	1.8
368.10223	1.4
368.60315	1.6
369.10199	0.7
401.86728	0.6
417.21484	1.4
434.62619	2.0
435.07959	1.6
435.15485	5.4
435.21710	7.2
436.15887	1.0
436.22531	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2516
Annotation	1-Oleoyl Lysophosphatidic Acid (sodium salt)
Peak:m/z	Relative Intensity
62.96392	0.3
69.48019	0.8
69.48458	0.7
78.95908	52.7
96.96003	0.4
96.96973	5.5
100.28773	0.2
108.76037	0.2
125.85533	0.2
150.98022	1.6
152.99605	100.0
153.99951	2.2
166.35515	0.2
171.00662	3.8
196.23499	0.1
267.23276	0.4
278.27234	0.2
281.24826	1.2
435.25146	8.2
436.25507	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	437.0396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12020	0.3
52.42396	0.3
59.01376	6.9
61.98844	0.3
70.42931	1.0
71.01392	1.5
72.99292	0.3
73.02962	0.7
79.95736	4.0
80.96515	1.8
83.01394	0.4
85.02968	1.6
87.00883	0.4
88.04056	0.3
92.18569	0.3
94.45371	0.3
95.01379	0.4
95.95268	0.7
96.96021	100.0
97.95989	0.3
98.19925	0.3
98.95570	0.5
99.92593	0.4
101.02469	0.9
103.00379	5.5
108.02184	1.7
109.02955	5.7
113.02458	0.7
115.92111	0.4
116.92881	0.5
120.01292	0.3
122.00869	0.3
122.97506	0.3
123.00967	0.3
125.02467	0.4
134.97647	0.7
138.97093	1.2
150.97043	0.5
152.98645	3.4
161.04532	0.4
164.98647	0.8
180.98140	1.5
191.02055	0.3
191.27026	0.3
194.44460	0.3
194.99701	0.6
222.99213	0.8
225.00661	0.5
241.00235	22.2
242.00468	1.0
281.99414	0.3
283.01300	2.6
313.09451	0.3
326.45816	0.3
333.02771	0.7
351.03900	48.5
352.04184	3.7
393.04968	33.7
394.05286	2.7
419.02869	1.2
431.83560	0.3
437.03821	22.8
438.04025	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	435.1696
Annotation	Bismurrayafolinol
Peak:m/z	Relative Intensity
53.12922	0.2
53.77843	0.3
55.73654	0.2
57.29986	0.2
59.01384	1.6
60.39756	0.2
61.98824	0.8
69.85039	1.6
71.01384	0.9
73.02950	0.3
75.31602	0.2
79.95744	2.9
80.96529	1.0
85.02961	0.8
89.87109	0.2
95.15736	0.2
95.24031	0.3
95.95250	3.1
96.96024	57.8
97.03714	0.2
97.95950	0.4
98.20616	0.3
99.14925	0.2
101.02462	1.0
101.03080	0.2
118.40553	0.2
122.97616	0.7
138.97115	1.7
147.39673	0.2
150.97093	1.2
152.98608	0.3
177.04031	1.0
180.98132	0.5
198.99173	0.4
222.99161	0.3
225.00848	0.6
241.00226	2.8
256.99637	1.5
278.63565	0.2
302.03568	0.3
309.04111	0.3
309.21060	0.2
313.05627	0.4
339.38257	0.2
419.13690	1.4
435.16931	100.0
436.17264	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	435.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65091	0.3
59.01376	3.9
61.98827	1.4
62.95894	0.3
65.52222	0.3
69.60504	2.9
71.01376	0.8
73.02958	0.5
75.00877	0.4
79.95757	0.6
83.01385	0.4
85.02945	0.8
88.04028	0.5
93.03470	9.5
95.05023	1.6
95.95274	0.3
96.96020	5.5
97.02876	0.4
98.20090	1.1
98.20650	0.4
99.00879	0.6
101.02453	0.4
103.05537	0.3
107.18337	0.3
108.02194	0.7
109.02964	18.3
110.03249	0.4
113.02434	0.5
117.03481	2.7
119.05040	2.4
121.02953	1.0
122.03738	0.6
123.04533	15.6
124.04832	0.5
125.02474	1.6
125.37479	0.4
133.02971	2.9
134.03731	0.4
135.00905	0.5
135.04547	0.4
137.02464	1.2
139.04015	0.6
145.02969	10.3
147.04530	4.1
149.02435	1.1
150.03236	1.0
151.04021	7.3
152.04330	0.4
159.04526	2.2
161.02490	1.6
161.06047	1.0
162.03218	0.8
163.03954	1.3
165.01959	0.9
175.04062	0.6
176.01140	1.2
177.01945	25.2
178.02266	1.2
187.04022	2.5
188.04681	0.6
189.01939	53.4
190.02682	12.7
191.03496	11.8
192.03812	0.5
201.05740	0.4
203.03502	5.7
203.07117	0.7
204.03879	0.4
205.04979	0.8
216.00626	8.9
217.01413	35.4
218.01970	3.8
219.02991	13.4
220.03278	0.9
221.08183	0.4
225.05455	0.4
227.07130	0.8
229.05034	0.7
231.02974	12.2
232.03575	1.6
233.04573	1.3
241.00294	1.0
241.05072	1.2
245.08171	1.4
255.06564	0.5
269.04599	0.8
269.08179	0.5
271.06058	3.5
273.03433	0.4
281.04510	2.1
283.06232	1.8
289.07193	6.8
290.07349	0.4
295.06161	0.7
297.07779	1.5
302.03833	0.4
303.03967	0.4
311.05585	5.4
313.07083	0.6
323.05554	1.9
325.07074	0.5
341.06659	100.0
342.06979	11.3
342.11124	0.6
435.10812	41.2
436.11151	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	435.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71491	0.6
55.01865	0.9
57.03446	2.9
58.00578	1.9
59.01373	4.6
61.98818	1.3
68.99834	0.6
69.03484	0.6
70.23121	1.7
70.23534	1.5
71.01383	6.7
72.99306	2.0
73.02969	1.2
75.00875	2.1
79.95730	1.4
80.96535	1.1
83.01408	0.9
85.02957	20.4
86.03279	0.8
87.00874	4.0
89.02437	1.5
96.96020	41.1
98.95570	1.1
99.00871	0.6
101.02464	2.7
103.00432	0.8
111.00891	1.2
113.02443	2.3
120.01271	3.4
121.02965	2.4
122.03795	1.1
129.01938	2.7
134.03749	1.0
137.02437	1.2
138.97066	3.0
145.02963	3.1
145.27197	0.7
147.03012	2.9
147.04462	0.7
149.02449	29.6
150.03247	44.3
151.03613	2.0
155.92155	0.6
161.02452	2.5
161.04529	4.7
162.03246	3.1
163.03973	1.9
164.04802	18.0
165.05585	100.0
166.05963	5.2
177.05580	1.4
178.02689	1.0
180.04332	2.9
191.01967	6.2
193.05042	2.5
195.06631	33.2
196.06955	1.4
196.52512	0.6
209.03041	6.9
224.13002	0.9
240.97952	1.2
241.00226	12.9
241.02376	0.6
242.00653	0.8
279.37491	0.7
327.10843	31.1
328.11203	2.7
339.10709	0.8
357.11816	0.8
390.95413	0.7
418.13629	0.7
435.06094	15.4
435.12164	5.7
436.06659	1.9
436.13132	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02481	0.5
55.26221	0.5
56.21465	0.4
57.03445	0.8
59.01379	9.6
61.98829	0.7
71.01398	2.1
71.72969	0.6
73.02970	1.0
75.00901	0.8
79.95754	1.2
83.01426	0.7
85.02956	3.5
86.98747	0.4
89.02459	0.7
89.03977	0.6
93.03468	9.8
95.05044	1.5
95.95255	1.2
96.96022	13.6
98.95592	0.6
103.05598	0.5
108.02232	0.7
109.02964	16.5
109.03671	1.0
111.00890	0.6
113.02441	1.0
117.03494	2.2
119.05025	2.2
120.01288	0.7
120.99699	1.1
121.02958	2.3
122.03851	0.6
122.99292	2.0
123.04543	15.5
125.02512	0.9
133.02972	2.7
135.00952	0.6
135.04500	1.2
139.03954	0.6
145.02968	8.1
147.04532	4.5
147.76756	0.5
148.01701	0.7
149.02469	0.9
150.03265	0.7
151.00404	0.8
151.04031	7.5
152.00798	0.5
153.00832	0.5
159.04515	2.2
161.02440	2.4
161.06064	1.0
162.03246	0.8
163.03998	0.9
173.90053	0.6
176.01218	1.6
177.01950	25.1
178.02277	1.4
179.03635	0.5
187.04057	2.1
189.01950	56.7
190.02672	12.1
191.03516	11.2
201.02058	0.6
203.03554	6.8
204.03990	0.5
205.05042	0.8
216.00644	9.7
217.01421	36.2
218.01933	3.9
219.02982	14.4
220.03378	0.7
222.01660	0.6
227.07150	0.9
231.02969	12.7
232.03526	1.5
233.04521	1.2
241.00273	1.8
241.05138	1.6
244.45393	0.5
255.03030	0.8
256.99750	1.0
257.03571	0.7
258.99533	1.5
269.04532	1.2
271.02667	0.8
271.06149	3.4
272.02771	0.8
272.06308	0.5
273.03052	1.8
280.12961	0.5
281.04587	1.8
283.06177	2.0
289.07156	4.7
297.07742	1.7
300.02676	1.0
301.03275	1.9
302.03464	4.4
303.04083	2.0
303.21799	1.4
311.05652	4.8
313.06677	0.5
323.05658	1.4
325.07111	0.6
341.06668	100.0
342.07086	11.0
368.67477	0.6
374.55447	0.6
435.10776	40.3
435.29584	5.9
436.11090	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	435.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93962	0.2
59.01376	1.6
71.01384	1.7
71.04070	0.5
72.99288	0.2
73.02948	0.4
79.95277	0.3
79.95741	4.3
80.96527	2.5
81.59495	0.1
85.02949	0.7
87.00881	0.7
91.13481	0.2
95.95241	2.0
96.96019	100.0
97.95947	0.3
99.00893	0.2
101.02425	0.9
110.97603	0.6
113.02464	0.6
116.78315	0.2
122.97588	0.5
125.02475	0.3
129.02856	0.1
130.66275	0.2
138.96037	0.4
138.97095	6.5
143.03484	0.3
150.97113	0.8
161.04431	0.2
163.04050	0.5
164.98643	0.6
168.98122	0.6
178.06337	0.4
180.98152	0.8
193.08789	0.3
201.65889	0.2
222.99159	1.4
225.00748	0.6
241.00227	26.6
242.00568	1.1
249.05956	0.2
341.06644	0.3
435.09647	35.4
436.04239	0.3
436.09961	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	435.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76571	1.2
55.01870	2.5
57.03447	13.0
59.01131	1.2
59.01374	12.3
65.99509	0.8
68.99837	1.2
70.73753	0.9
70.74091	2.6
71.01381	11.2
72.99308	4.7
73.02943	1.7
75.00854	3.1
79.95731	4.4
80.96516	3.9
83.01395	3.6
84.02152	2.8
85.02955	100.0
86.03263	2.8
87.00860	3.8
89.02434	3.5
93.03454	1.2
96.96019	95.2
97.02952	1.3
99.00866	1.2
99.97590	0.9
101.02439	3.1
103.00351	1.7
108.21985	0.9
109.02974	1.4
111.00880	6.1
113.02453	2.1
115.00409	1.7
120.01236	1.5
121.02945	1.7
122.97599	0.9
123.04518	1.6
129.01971	8.0
133.01424	3.1
134.03749	5.1
137.02473	4.3
138.03180	1.7
138.97090	6.4
147.03011	10.7
148.01701	1.2
149.02414	2.5
149.06094	2.1
152.98714	1.0
153.05591	2.1
161.04623	1.7
163.04019	2.8
173.00874	2.6
178.02719	2.3
179.00220	1.2
181.05011	1.0
191.01984	38.0
192.02333	1.4
193.05069	9.3
209.03027	34.9
210.03398	2.0
222.99152	1.6
225.03922	1.5
241.00218	42.0
242.00476	1.6
242.81572	1.0
249.06097	1.9
259.01193	1.4
385.07761	4.2
435.05945	34.5
435.14679	1.6
436.06036	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	435.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91754	0.1
51.92520	0.1
59.01375	3.9
60.01711	0.3
60.66602	0.1
61.98831	0.8
69.03484	0.1
70.31197	0.1
71.01380	1.9
71.72785	0.2
71.91190	0.1
72.99311	0.3
73.02947	0.5
75.00900	0.2
79.93958	0.1
79.95742	6.7
80.95785	0.1
80.96520	3.0
83.01395	0.3
85.02953	1.1
85.28209	0.1
87.00881	0.8
89.02476	0.2
94.98125	0.2
95.95245	2.0
96.96019	100.0
97.95959	0.5
98.95647	0.2
99.00885	0.2
101.02456	1.1
110.97601	0.9
113.02450	0.7
121.02962	0.4
122.97604	0.6
125.02474	0.3
135.04610	0.1
138.97096	6.0
143.03514	0.4
149.04665	0.1
150.97093	1.0
152.10396	0.1
152.98637	0.5
158.56891	0.1
161.04556	0.2
163.04053	0.3
164.98654	1.0
168.98149	0.5
175.26808	0.1
178.06377	0.2
180.40886	0.1
180.98145	0.7
183.04395	0.1
193.08743	0.2
213.00748	0.2
222.99141	1.1
225.00832	0.7
241.00224	21.4
242.00536	1.0
301.03055	0.2
302.03387	0.3
303.03949	0.3
303.21722	0.4
313.06049	0.2
414.27975	0.1
435.09631	40.4
435.16681	5.2
436.09885	4.6
436.17084	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0604
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.7
58.00586	0.4
59.01379	6.6
61.69711	0.2
61.98823	0.6
64.46883	0.2
68.99075	0.3
69.03474	0.2
69.06310	0.2
69.52860	0.4
69.53271	1.4
71.01388	2.7
72.99312	0.4
73.02940	0.9
75.00878	0.6
79.95744	3.6
80.96523	2.7
83.01398	0.4
85.02964	3.5
87.00887	1.3
89.02456	0.7
94.98094	0.2
95.01385	0.3
95.95251	0.8
96.96022	100.0
97.02969	0.2
97.95950	0.5
98.95590	0.9
99.00896	0.9
101.02462	1.5
110.97643	0.3
113.02467	1.3
120.01236	0.5
121.02956	0.4
122.97578	0.5
125.02475	0.5
129.02032	0.5
134.03772	2.1
137.02437	0.5
138.97095	7.8
140.07176	2.0
141.07561	0.8
141.09215	0.3
143.03539	0.4
146.06099	0.2
147.02939	0.3
148.05296	0.2
149.06146	0.5
150.97107	0.9
152.98605	0.3
161.04626	0.3
162.19553	0.2
164.98643	0.7
168.98105	0.7
178.02711	1.6
180.98132	0.6
185.08186	0.6
186.05569	0.2
186.70589	0.3
187.06296	0.4
191.01927	0.4
193.05078	2.8
204.06650	0.9
205.07269	0.3
209.03099	0.3
213.11346	0.3
222.99164	1.8
225.00735	0.2
235.06300	0.2
241.00233	32.2
242.00572	1.3
242.99886	0.2
249.06097	0.6
267.07297	0.2
273.05310	0.3
286.58807	0.2
315.13446	0.4
327.13470	1.3
345.14511	1.7
350.05734	0.3
357.14618	0.3
375.16418	0.3
391.07205	0.3
435.05972	41.4
435.15515	1.3
435.60709	0.3
436.06268	4.8
436.15646	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78232	0.3
55.01884	0.3
57.03440	1.0
59.01088	0.6
59.01378	9.9
61.98832	4.1
64.02305	0.3
69.03464	1.5
71.01385	2.7
71.73125	0.4
72.99298	0.7
73.02960	1.0
75.00858	0.6
79.95735	4.2
80.96531	2.3
83.01379	0.7
85.02950	2.2
87.00867	1.4
88.98836	0.3
89.02451	0.5
93.83540	0.3
95.01425	0.3
95.74802	0.3
95.95246	1.1
96.96021	100.0
97.02971	0.8
97.95961	0.5
98.95599	0.5
99.00893	1.1
99.04505	0.3
101.02444	1.2
107.01453	0.3
111.00887	0.3
113.02454	1.2
122.97578	0.4
123.04522	0.5
125.02521	0.3
138.97087	6.9
150.97112	1.5
164.98631	0.7
168.98094	0.6
177.01932	0.5
180.98242	0.6
185.00903	1.4
189.02063	0.6
191.02007	0.5
193.06572	3.3
194.06889	0.4
198.99153	0.5
207.08162	1.0
222.99191	0.9
235.07481	0.5
241.00237	21.8
242.00555	0.8
257.03683	0.4
265.08676	0.6
273.03201	0.5
301.03320	0.5
302.03369	1.1
303.04172	0.7
341.06696	1.7
342.06955	0.4
355.18427	0.4
368.60355	0.5
392.14157	0.6
434.62506	0.8
435.07513	45.6
436.07889	6.8
436.13370	0.4
436.19327	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47334	0.7
55.01870	0.9
57.03453	3.8
58.00585	0.7
59.01379	28.5
67.01880	0.9
68.78209	0.6
68.99806	2.8
69.03443	2.1
70.01896	1.3
70.02299	2.6
71.01385	24.7
72.99303	5.4
73.02937	2.1
75.00463	1.1
75.00883	16.2
80.96543	0.9
81.03453	0.9
83.01395	0.9
84.04542	1.6
85.02959	29.5
87.00878	8.0
89.02443	4.9
95.01414	6.4
95.05023	0.7
96.96021	9.8
97.01708	0.6
97.02937	0.7
99.00890	10.7
101.02400	1.1
103.00381	2.4
109.02948	1.6
110.02505	1.8
111.00906	2.1
112.01640	0.6
112.04060	26.0
113.02460	22.4
114.02750	0.7
115.00399	1.8
117.01970	1.9
120.01269	4.0
122.06127	1.8
124.04059	21.4
125.04378	1.0
129.01936	2.5
140.07196	7.4
147.02980	0.6
166.05112	27.9
167.05443	1.1
175.02477	2.8
184.06160	36.8
185.06479	2.6
191.01942	3.6
193.05025	1.0
194.96448	0.7
205.07086	0.8
207.05075	0.9
209.03064	2.8
220.77902	0.7
224.12756	1.1
231.05084	2.5
241.00230	3.5
249.06137	51.0
250.06490	3.0
253.03189	1.9
257.14542	0.6
258.09726	1.3
267.07196	31.9
268.07529	2.2
347.47519	0.8
416.12079	2.4
434.13022	100.0
435.06033	5.6
435.13330	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2595
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
59.01110	0.4
59.01381	6.4
61.98818	2.3
65.00314	0.5
69.67686	3.0
78.50069	0.4
78.95904	1.3
83.01386	0.4
93.03410	0.5
96.96002	0.8
107.01401	1.0
108.02216	0.6
109.02979	0.5
117.03482	14.7
118.03774	0.5
119.05039	25.9
119.75526	0.4
120.05378	1.0
121.02962	2.2
123.04619	0.6
123.82301	0.5
133.02901	0.4
141.66502	0.4
145.02968	100.0
145.53529	0.4
146.03305	5.7
151.00391	3.2
152.99576	2.7
163.00363	0.6
163.04022	20.9
164.04353	1.1
167.73128	0.4
178.99884	1.4
194.73708	0.4
211.03944	0.6
226.02763	0.5
227.03555	0.7
234.46890	0.5
243.03026	2.7
244.03615	0.5
245.04539	0.7
254.02237	0.6
255.02968	5.2
256.03485	0.9
266.66992	0.4
269.21170	2.2
271.02451	12.4
272.02847	1.3
273.03952	0.8
283.02515	0.6
287.22278	8.5
288.22629	0.6
300.02725	19.4
301.03497	16.1
302.03894	1.7
415.24649	0.4
433.07898	10.8
433.26007	44.5
434.08078	1.6
434.26294	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	433.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98323	0.2
59.01381	0.5
62.96400	0.3
66.15745	0.2
69.92764	0.2
69.93171	1.0
73.46315	0.2
77.93151	0.2
78.87608	0.2
78.95908	68.6
83.01382	0.2
91.97877	0.2
93.28915	0.2
96.96976	5.2
98.20565	0.4
112.45465	0.2
134.98535	0.2
150.98022	1.9
151.00398	0.3
152.99603	100.0
153.99934	2.0
171.00671	3.1
186.99832	0.2
195.30605	0.2
198.80777	0.2
230.15837	0.2
255.03072	0.4
265.71393	0.2
271.02521	0.7
273.43137	0.2
277.21887	0.3
279.23315	1.4
300.02676	1.5
301.03568	1.3
360.99362	0.2
433.07892	0.9
433.23593	17.4
434.23935	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	433.2361
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
57.60904	0.2
59.01377	0.3
61.35448	0.1
62.96418	0.2
68.58869	0.1
71.05198	0.5
78.95910	50.8
94.42197	0.2
96.96975	6.1
124.56385	0.1
150.98033	1.9
152.99606	100.0
153.99942	1.6
171.00664	4.1
209.45067	0.2
222.96497	0.2
270.12247	0.2
271.02402	0.4
279.23233	1.1
298.28290	0.2
300.02789	0.6
301.03543	0.3
317.26990	0.1
394.27167	0.2
433.07498	0.3
433.23624	9.1
434.23798	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	433.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83197	0.3
55.01871	0.5
55.56228	0.3
57.03442	0.9
58.00623	0.3
59.01379	10.1
61.98841	1.8
65.00329	0.3
69.03451	1.0
71.01383	3.8
71.05016	0.4
71.73262	0.5
72.99329	0.5
73.02951	2.5
75.00873	1.0
79.32669	0.3
79.95750	0.9
83.01376	0.6
85.02962	3.4
87.00881	1.1
89.02455	5.0
91.04028	0.9
93.03455	0.4
95.01390	0.7
95.95241	0.8
96.07383	0.3
96.96017	6.9
97.89939	0.3
98.95626	0.7
99.00896	1.4
101.02454	1.7
103.00384	0.4
107.01436	0.9
108.02196	0.4
109.02940	0.6
111.08163	0.5
113.02458	1.5
120.01215	0.3
121.02983	0.5
124.38747	0.3
129.01900	0.4
131.03513	1.3
139.11293	0.8
145.01454	0.8
148.01662	0.4
149.04573	14.6
150.04956	0.5
151.00409	2.7
161.02386	0.4
163.00363	0.7
164.01131	0.6
165.12852	5.2
178.99858	1.6
182.49716	0.3
183.13911	100.0
184.14264	6.6
191.01976	0.8
201.11246	0.5
209.11830	3.2
211.03922	0.4
226.02730	0.4
227.03488	0.9
227.12888	5.0
227.16356	0.5
228.13295	0.5
229.05052	0.3
236.89616	0.3
241.00159	0.5
243.03015	1.8
245.04555	0.6
249.06067	0.3
254.02292	0.3
255.02977	5.4
256.03351	0.4
256.99731	0.6
257.99866	0.5
271.02460	10.9
272.02884	1.2
273.03830	0.3
287.22238	0.5
299.01810	0.4
300.02762	17.6
301.03488	16.6
301.16559	42.8
302.03915	1.4
302.16916	3.6
329.99426	0.3
358.09143	0.7
432.66733	0.4
433.07727	10.8
433.21381	5.5
434.07654	1.3
434.21796	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47550	1.3
57.03438	4.0
59.01374	13.7
60.20074	1.3
64.26270	1.4
69.03450	6.4
69.80184	10.2
69.80572	1.4
71.01380	15.6
72.02293	1.7
72.99298	5.0
73.02985	2.1
75.00879	12.9
85.02952	15.9
87.00882	5.5
89.02444	3.2
91.39108	1.4
93.90474	1.4
95.01394	5.8
96.96017	13.6
97.67894	1.4
98.19939	2.9
99.00894	8.2
113.02470	19.2
115.00390	2.0
117.01920	2.2
129.01944	2.6
139.11319	9.2
142.08714	1.7
156.84421	1.4
175.02446	2.0
183.10272	13.5
231.05133	1.9
249.06183	19.3
267.07175	7.0
296.92068	1.6
335.36053	1.6
433.07788	3.5
433.17136	100.0
434.17487	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	433.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.1
57.03451	6.2
59.01377	21.7
64.49094	1.1
69.03461	6.7
69.87322	7.5
71.01385	14.1
71.05019	1.1
72.99315	5.1
73.02940	2.7
75.00876	14.5
85.02953	23.9
87.00881	8.0
88.75061	1.1
89.02441	6.0
95.01410	6.6
96.96021	13.6
99.00898	8.7
101.02453	2.0
103.00368	3.4
109.02942	1.1
111.00840	1.4
113.02464	24.6
113.03263	2.1
113.06080	1.9
115.00377	1.6
117.01946	1.7
120.01244	1.6
129.01978	1.7
139.11302	12.7
157.01456	1.4
165.05658	1.2
167.03528	2.6
175.02527	1.2
183.10263	16.0
205.07101	1.4
208.07811	1.1
215.09178	1.6
241.00352	2.0
249.06131	9.7
253.25233	1.3
267.07196	12.8
300.02716	1.2
301.03464	1.3
424.35611	1.3
433.07678	3.1
433.17096	100.0
434.12613	1.1
434.17542	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63628	0.5
55.01876	1.0
55.63959	0.5
57.03445	11.6
58.00586	1.0
58.76009	0.5
59.01377	40.1
60.01711	0.7
61.98830	4.6
67.01896	1.0
68.99816	1.1
69.03452	1.1
70.69097	0.6
71.01382	17.8
71.72440	0.6
72.99315	4.7
73.02956	2.9
75.00876	17.9
79.95740	4.1
81.03481	1.1
83.01401	1.7
85.02959	23.0
87.00880	7.8
89.02460	6.8
93.03448	1.2
95.01382	4.6
95.95249	2.1
96.96020	38.1
98.95601	3.7
99.00884	8.8
99.04549	0.6
101.02429	3.9
103.00407	3.2
109.02958	1.1
111.00872	1.8
111.04540	0.8
113.02458	20.5
115.00378	1.6
117.01970	2.5
119.03535	0.7
120.01261	3.4
120.99713	0.8
121.03000	2.1
122.06098	0.7
123.08181	0.8
125.02486	0.8
125.06097	7.4
125.09774	0.9
129.01965	2.8
131.03500	0.7
136.78333	0.5
138.97069	1.1
139.07697	1.1
144.04515	0.7
147.03046	0.9
149.04601	1.2
150.03201	0.6
150.97104	1.0
154.21924	0.6
157.01509	1.0
161.04585	0.9
171.10260	1.1
175.02490	2.2
177.01886	0.6
177.04071	0.9
183.10271	28.2
184.10649	1.9
189.04065	1.3
191.01961	1.7
191.03574	1.5
205.07281	0.9
207.05128	0.7
215.09344	2.5
223.04535	1.1
223.08209	0.8
229.05096	0.9
231.05164	1.9
241.00200	5.6
249.06149	21.7
255.02972	1.0
256.01144	0.7
256.99594	3.1
267.07181	17.0
268.07626	1.2
271.02478	1.0
271.06113	3.8
272.02808	0.6
285.13394	0.6
299.99258	0.6
300.02780	1.6
301.03427	1.8
301.13037	0.7
313.07040	0.8
371.09952	3.2
415.15970	1.2
433.08575	11.0
433.17154	100.0
434.08734	2.0
434.17557	12.3
434.23264	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	433.1539
Annotation	Chrestifoline D
Peak:m/z	Relative Intensity
52.64453	0.2
52.81795	0.2
59.01378	2.1
61.98813	0.5
66.24341	0.2
69.65322	0.6
69.65755	0.9
71.01395	1.7
72.99303	0.5
73.02946	0.7
79.95742	3.4
80.96523	2.0
83.01375	0.4
84.05375	0.2
85.02952	1.3
87.00893	0.3
91.51025	0.2
95.95252	1.0
96.96021	86.9
97.96008	0.2
99.00902	0.2
101.02447	1.4
113.02501	0.5
122.97598	1.2
133.05524	0.2
138.97078	2.5
149.98087	0.2
150.97079	1.5
151.00383	0.8
152.98692	0.3
163.00447	0.3
164.98648	0.7
166.12564	0.2
178.99895	0.3
180.98177	1.0
198.99168	0.5
222.99278	0.2
241.00220	3.5
243.02946	0.5
255.02992	1.5
271.02463	2.8
272.02911	0.3
300.02728	4.7
301.03503	4.3
302.03928	0.3
433.15353	100.0
434.15714	12.6
442.06161	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42388	0.6
59.01373	1.1
65.00331	0.8
69.57610	6.1
76.41055	0.6
83.01388	0.7
101.29546	0.7
107.01417	3.6
108.02199	1.8
109.02979	2.2
118.46288	0.6
121.02973	2.7
135.00876	1.5
140.88428	0.7
148.01678	2.3
151.00407	11.5
157.63860	0.7
163.00340	3.3
164.01154	1.3
178.99892	7.0
187.03996	1.0
192.00673	0.7
199.03996	1.1
201.05391	0.8
203.03397	0.7
211.03947	1.8
215.03630	0.7
216.04231	0.8
226.02705	2.7
227.03537	4.1
228.04123	0.7
229.05013	1.0
243.02968	14.9
244.03619	1.5
245.04556	2.4
254.02286	3.6
255.02969	31.6
256.03348	2.5
271.02457	76.4
272.02914	7.4
283.02344	1.4
288.22809	0.7
299.02048	1.5
300.02756	100.0
301.03482	64.2
302.03833	5.3
337.77203	0.9
343.03549	0.7
420.61893	0.7
433.07742	81.4
434.08002	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	433.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12267	0.3
59.01388	3.5
59.91164	0.3
59.92789	0.3
63.02392	0.7
65.00323	1.9
69.37478	0.3
83.01381	1.1
91.22497	0.3
93.03473	0.7
98.19833	0.7
107.01396	4.4
108.02190	2.2
109.02969	3.1
121.02971	3.5
125.02435	0.5
135.00891	1.2
147.00859	0.5
148.01660	2.2
149.02504	0.8
151.00381	16.6
152.00711	0.4
153.01982	0.4
159.04543	0.9
163.00380	4.5
164.01151	1.3
167.05031	0.5
169.01427	0.7
171.04549	0.5
175.04053	0.7
178.99866	8.8
183.04526	0.6
187.03952	1.1
187.74657	0.4
190.99948	0.6
192.00700	0.5
193.01274	0.4
198.03178	0.4
199.04025	1.3
200.04449	0.3
201.01833	0.6
201.05580	0.8
203.03564	0.5
211.03922	2.1
213.02011	0.4
215.03508	1.4
216.04285	0.8
217.05038	0.4
226.02678	1.4
227.03470	4.6
229.01352	0.4
229.05070	1.5
239.03380	0.5
243.02983	11.8
244.03433	1.1
245.04536	1.8
254.02193	1.5
255.02975	32.6
256.03369	2.2
266.02045	0.5
271.02454	59.1
272.02881	5.5
273.04013	1.8
283.02444	2.6
299.01984	1.3
300.02753	86.7
301.03500	100.0
302.03891	10.4
323.87787	0.3
414.90851	0.3
424.54074	0.3
433.07748	60.3
434.08090	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	433.066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.7
57.03448	1.7
59.01089	0.9
59.01384	14.0
61.98833	24.7
62.98536	1.0
70.02350	2.5
71.01382	3.1
73.02959	1.1
75.00893	0.6
79.95734	3.7
80.96529	5.2
83.01410	0.7
85.02956	10.6
87.00893	0.8
89.02456	0.9
95.95234	0.7
96.96024	100.0
101.02460	3.6
103.00381	8.3
105.05611	0.6
111.00861	0.6
113.02467	1.0
120.01347	0.7
129.02005	0.8
138.97079	0.8
147.03027	1.3
150.97124	0.8
151.03979	0.7
151.47127	0.5
152.98624	1.5
153.05556	0.9
164.98645	6.5
178.53476	0.6
180.98106	2.7
185.54167	0.5
191.02031	3.2
209.03043	2.9
211.06232	0.7
222.99275	1.0
241.00249	9.8
242.00363	0.6
329.05420	2.3
347.06540	85.7
348.06827	5.5
389.07593	47.9
390.07849	3.6
415.05649	2.2
433.06577	46.3
434.06976	4.3
434.12332	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.2
61.98832	100.0
62.76765	0.8
66.81712	1.0
71.28525	1.1
71.28906	2.7
76.86163	0.8
78.95921	1.7
106.47249	1.0
116.92870	1.1
151.00368	1.0
152.99602	3.5
159.53433	0.9
168.47958	0.8
255.02924	3.4
271.02490	5.9
300.02750	7.5
301.03549	7.0
329.00659	1.0
433.07587	5.9
438.07736	1.0
452.49664	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0444
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.1
58.02995	0.4
59.01093	0.5
59.01379	6.9
61.98834	2.1
65.63020	0.3
68.01814	0.2
71.01389	4.6
71.72037	0.5
72.99313	0.9
73.02955	1.1
75.00871	0.6
78.95926	0.3
79.95747	3.1
80.96518	2.4
83.01395	0.7
85.02959	5.0
86.03306	0.4
87.00887	1.4
89.02426	1.4
94.98082	0.3
95.01398	0.3
95.95246	0.8
96.96023	100.0
97.02933	0.3
97.95976	0.3
98.95618	2.3
98.96259	0.3
99.00912	1.2
99.04500	0.4
100.96052	0.3
101.02453	2.8
102.02772	0.3
105.01929	0.3
110.97606	3.4
113.02469	2.1
115.00375	0.3
119.03580	0.3
120.01232	0.6
122.97594	0.7
125.02498	0.7
125.03499	0.3
129.01970	0.3
138.09161	0.3
138.97089	6.6
143.03532	0.6
143.06787	0.2
147.03033	0.6
149.04535	0.5
150.97087	1.3
152.98648	0.4
159.03004	0.3
161.04568	1.7
164.98701	0.4
168.98137	0.8
176.01155	3.5
179.05629	0.3
180.98100	0.8
181.08685	2.0
189.61032	0.3
191.01967	1.2
191.03543	2.4
205.03514	0.6
209.02998	1.2
211.09766	0.4
222.99124	1.3
223.04410	0.3
241.00233	28.8
242.00591	1.0
249.06259	0.5
267.07285	0.4
270.87445	0.3
300.02863	0.4
347.08655	0.6
373.15002	2.6
374.15369	0.4
389.09259	0.3
390.15982	0.7
432.15039	0.7
433.04462	44.0
433.13245	7.2
434.04703	4.9
434.13913	1.5
451.69781	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.136
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88527	0.2
57.03444	0.5
59.01378	1.6
61.98831	100.0
71.01384	1.2
72.99319	0.4
73.02962	0.4
75.00898	0.4
77.66131	0.1
78.95927	0.3
79.95734	0.3
80.96529	0.3
83.01426	0.2
85.02953	3.1
85.03445	0.2
87.00906	0.3
88.98824	0.3
89.02452	0.7
90.86044	0.1
96.96024	6.4
96.96989	0.6
99.00912	0.2
101.02472	0.4
103.00404	0.4
109.89059	0.2
113.02496	0.4
120.01306	0.3
121.64172	0.2
125.02456	0.2
129.01999	0.2
131.03595	0.2
135.04546	0.2
138.05656	0.3
144.06664	0.2
147.03052	0.2
149.04605	1.5
149.05882	0.2
152.98639	0.2
161.04655	0.2
164.98634	0.3
191.01950	0.9
209.03088	0.9
241.00273	0.9
267.07114	0.9
294.08545	0.2
347.06512	4.5
372.15054	0.3
389.07596	2.4
432.16153	0.3
433.06552	2.4
433.12009	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2435
Annotation	Rastevione
Peak:m/z	Relative Intensity
53.31479	0.4
57.03429	1.0
59.01373	5.5
61.98833	2.7
71.01398	0.7
71.73151	0.7
78.03587	0.4
78.95909	1.1
85.02961	6.2
88.98851	0.5
117.03477	15.4
118.03827	1.0
119.05040	27.1
120.05393	0.8
120.99689	1.0
121.02977	2.0
123.04531	0.7
133.02974	0.6
145.02969	100.0
146.03279	3.6
147.02948	0.6
149.83710	0.5
152.99677	0.8
163.04015	17.7
164.04341	0.9
191.01921	2.6
241.01375	3.6
242.02066	1.0
245.00949	1.3
263.20120	2.4
267.19666	1.5
270.01590	3.2
271.02414	1.5
285.03973	0.7
285.20688	7.6
298.01266	1.3
299.01831	1.8
364.69714	0.5
413.23529	0.7
431.06018	4.0
431.24429	33.9
432.06931	0.5
432.24756	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	432.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01667	0.4
55.01929	0.5
57.03531	2.7
58.00650	0.8
59.00961	0.7
59.01141	2.4
59.01464	14.8
61.47745	0.4
61.98562	0.8
61.98914	4.6
66.74357	0.4
68.99541	0.8
68.99914	1.7
69.03532	1.0
69.61297	1.8
69.61728	1.7
71.01044	2.0
71.01482	15.4
72.99408	3.3
73.03037	1.5
75.00517	1.2
75.00978	10.1
79.95832	0.8
80.17004	0.5
83.01501	1.4
84.02256	0.5
85.02498	1.8
85.03064	20.4
86.02586	2.4
86.03400	0.7
87.00993	6.4
88.98873	0.4
89.02563	6.5
91.04072	0.6
93.03528	0.7
95.01513	3.4
96.95463	1.1
96.96135	15.5
98.19939	1.1
98.20614	0.6
98.95692	1.5
99.01003	7.5
99.04640	1.1
101.02564	1.9
103.00384	2.3
110.02583	1.2
110.97660	0.5
111.00983	0.9
112.01765	0.6
113.02459	21.5
114.02926	0.6
115.00476	1.4
117.02059	1.8
119.03568	0.6
120.01258	9.3
121.02998	0.5
121.06667	0.9
123.03279	11.4
125.02607	0.8
125.03648	1.0
129.02078	2.0
131.03635	0.5
131.19328	0.5
131.24739	0.4
137.02573	0.6
138.05623	40.3
138.97188	1.2
139.06073	1.9
143.03682	0.4
147.03188	0.7
149.06097	33.9
150.06549	2.1
151.04077	0.4
153.02055	0.6
157.01460	0.6
161.04639	1.1
163.07744	1.0
164.03537	4.2
170.04764	0.5
175.02501	2.3
176.01215	0.7
179.05713	1.7
181.01802	0.5
181.08736	0.5
183.04868	8.0
183.13538	0.4
191.02065	1.7
197.04720	0.5
207.05150	1.1
209.03120	2.0
210.03476	0.5
231.05070	0.9
231.86581	0.5
241.00243	8.5
249.06143	19.4
250.06564	0.8
256.99619	0.5
261.09583	0.5
267.07187	100.0
268.07538	6.1
270.08002	1.5
341.32721	0.5
345.09814	0.9
346.08929	1.2
347.08307	0.5
373.14993	0.6
388.09799	0.9
432.11847	18.3
433.03876	2.1
433.12823	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	431.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.6
57.03444	1.0
59.01379	100.0
60.01706	1.2
61.98830	4.8
65.00341	0.3
69.03471	0.3
69.58876	0.9
69.59302	1.2
70.04264	0.3
71.01381	7.1
71.05000	0.3
72.99310	0.7
73.02954	3.2
75.00887	1.0
78.95891	0.5
79.55534	0.2
79.95749	1.2
83.01403	1.1
85.02960	4.5
86.03318	0.2
87.00894	1.1
87.04535	0.2
88.98825	0.5
89.02451	3.2
90.98605	3.2
92.98407	0.7
95.01414	0.6
95.95247	0.6
96.96024	11.3
98.19849	0.5
98.20525	0.7
98.95605	2.6
98.96426	0.3
99.00893	1.3
99.08170	0.2
101.02456	4.0
107.01437	0.6
111.00954	0.5
113.02473	3.6
114.31317	0.2
119.03539	1.2
120.99670	3.3
121.02953	0.4
125.02465	0.4
129.01959	0.4
132.02177	0.3
135.04504	0.2
137.09731	0.5
143.03587	0.3
149.04575	0.4
151.00381	0.6
155.10857	0.6
158.03792	0.4
159.03110	0.3
159.04510	0.3
160.04080	0.4
161.04579	1.4
163.00407	0.5
163.04042	0.3
169.06610	0.2
177.04012	0.3
178.99918	0.5
179.05719	0.4
183.04512	0.3
185.06117	0.4
186.03233	0.6
187.04089	0.5
189.05713	0.4
195.06761	0.3
199.03918	0.3
201.05524	0.3
209.12053	0.3
211.04010	4.5
214.02687	1.2
224.98952	2.7
227.03502	7.8
228.03957	0.6
229.05055	1.6
239.03490	4.3
239.16476	0.5
240.04198	0.9
241.01506	4.7
241.05089	0.5
242.02144	1.3
243.03055	0.4
245.00876	2.4
249.06258	0.6
255.00113	2.5
255.03049	11.3
256.03531	1.5
256.59918	0.3
256.99744	1.8
257.04660	1.0
268.03708	3.1
269.04434	0.5
270.01672	4.9
271.02396	2.5
283.15512	1.3
284.03262	10.5
285.04028	18.8
286.04330	1.7
287.22354	0.3
296.08914	0.3
298.01141	2.2
299.02020	2.5
299.05344	0.3
306.12308	0.4
359.04037	0.3
371.20871	0.9
382.91632	0.3
387.16214	0.3
388.11316	0.4
389.21790	4.0
390.22266	0.4
403.06650	0.4
413.14313	0.3
430.34711	0.3
431.05499	2.3
431.10019	12.8
431.17902	5.2
431.22766	0.4
431.27042	0.8
432.10434	1.9
432.17465	0.9
433.20947	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09859	0.1
55.01740	0.1
58.09973	0.1
62.96401	0.3
65.56052	0.1
65.56541	0.1
70.49744	0.5
76.89738	0.1
78.95908	51.0
96.96973	6.0
103.48214	0.1
150.98051	1.8
152.99603	100.0
153.99944	1.9
165.88219	0.1
171.00667	4.2
177.72548	0.1
206.33858	0.1
277.21741	0.5
321.98895	0.1
431.22031	7.8
432.22522	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62272	0.3
58.00587	0.3
58.99608	1.9
59.01379	100.0
60.01712	1.2
60.47014	0.3
61.98839	0.8
69.65347	2.3
71.01388	4.9
72.99327	0.4
73.02949	1.7
74.65295	0.3
75.00863	0.4
79.82879	0.3
79.95747	0.9
83.01408	0.9
85.02965	1.2
87.00900	0.9
89.02454	4.9
91.79149	0.3
95.01393	0.5
95.95207	0.4
96.96021	10.1
98.95620	0.7
101.02457	3.2
102.98613	1.4
113.02471	2.0
119.03501	1.8
120.99671	28.3
122.00013	0.4
131.03482	0.8
133.03018	0.3
134.03780	0.5
139.17201	0.3
143.03517	0.6
147.01253	0.8
149.04576	0.3
161.04594	1.1
179.05647	1.2
214.02715	0.6
241.01610	2.6
242.02161	1.3
245.00952	1.3
255.00015	22.2
256.00375	1.3
270.01767	2.9
271.02332	1.5
298.01187	1.5
299.01956	1.5
328.39063	0.3
431.06046	3.8
431.15622	5.1
431.22180	0.5
431.60544	0.5
432.06274	0.6
432.16409	0.9
433.81412	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44572	0.2
55.96186	0.1
59.01370	0.4
60.79544	0.2
61.98822	0.3
63.43723	0.2
71.11199	0.2
71.11567	0.4
78.95907	50.7
84.27031	0.2
96.96972	6.4
114.84834	0.2
123.97684	0.1
130.83810	0.2
132.52258	0.1
150.98029	1.7
152.99602	100.0
153.99945	1.8
171.00647	3.9
219.14351	0.2
270.01743	0.2
277.21683	0.6
403.68225	0.2
431.22028	6.7
432.22113	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.8
61.98807	0.3
70.60031	0.6
77.80743	0.2
78.95910	63.7
83.25602	0.2
96.24310	0.2
96.96976	5.4
118.81705	0.2
150.98062	1.5
152.99606	100.0
153.99956	1.9
171.00656	2.7
172.48375	0.2
241.01419	0.4
242.02040	0.3
245.00807	0.4
265.56522	0.2
270.01630	0.5
277.21701	0.8
299.01941	0.2
431.06342	0.6
431.22067	13.7
432.06436	0.3
432.22232	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	431.0985
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
50.50936	0.3
59.01368	0.7
63.02401	0.3
63.60221	0.3
65.00346	0.3
69.46657	3.1
75.00880	0.6
85.02939	0.5
93.03454	1.1
98.19849	0.6
107.01391	1.3
113.02431	0.9
113.76652	0.3
115.00304	0.3
125.02439	0.3
132.02184	0.4
135.00868	0.6
143.05037	0.6
151.00420	0.8
153.01930	0.3
155.10895	0.3
157.06615	0.3
158.31487	0.3
159.04523	0.6
163.00389	1.5
164.01202	0.3
165.01918	0.7
167.05052	0.4
168.05804	0.3
168.25032	0.3
169.06694	0.4
183.04492	0.6
185.06090	0.8
187.04001	1.7
189.05515	0.5
195.04497	0.4
197.06024	0.8
199.03992	0.6
201.05489	0.3
211.04001	1.9
213.05536	1.4
227.03499	26.9
228.03944	1.4
229.05035	8.2
230.05307	0.4
239.03474	0.9
241.04974	0.8
255.02966	45.4
256.03552	6.8
257.04532	4.8
267.02881	0.8
270.90573	0.3
284.03250	59.8
285.04016	100.0
286.04376	8.7
327.05051	0.5
380.93976	0.3
431.09848	57.7
431.15189	3.0
432.10196	7.7
432.16061	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1383
Annotation	Tryptoquivaline G
Peak:m/z	Relative Intensity
55.01871	0.3
55.05557	0.2
57.03455	1.5
59.01378	6.6
61.98824	0.8
69.03470	0.2
71.01387	2.5
72.99316	0.5
73.02940	0.5
75.00899	0.6
77.95056	0.2
78.95908	0.7
79.95734	4.2
80.96526	2.1
83.01388	0.7
83.82738	0.2
85.02959	9.3
87.00877	0.6
88.98793	0.4
89.02467	1.1
95.95222	1.5
96.96021	77.6
97.02943	0.2
97.95960	0.3
98.95583	0.4
99.00883	0.3
101.02461	1.6
106.42374	0.2
108.01539	0.2
111.00905	0.3
113.02442	0.9
115.41271	0.2
119.03539	0.2
120.99656	1.1
122.97587	1.4
129.01959	0.9
138.97072	2.3
147.03004	1.0
147.04434	0.2
150.97081	1.9
152.98576	0.3
164.98627	0.7
177.04037	0.2
180.98135	0.9
191.01985	3.8
198.99219	0.7
214.02773	0.4
222.99203	0.2
227.03427	0.4
241.00305	3.1
242.02057	0.7
245.00865	1.0
255.00002	0.7
255.03000	0.6
256.99658	0.9
270.01566	2.3
271.02469	1.4
281.17688	0.2
284.03311	0.6
285.04099	1.1
298.01306	1.3
299.02002	1.2
306.14084	0.3
329.05447	0.5
403.06821	0.2
431.13797	100.0
432.14136	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09642	0.6
55.12056	0.6
59.01378	100.0
61.98831	1.7
71.01402	0.7
71.72947	1.1
71.89378	0.6
91.04035	1.8
96.96021	0.8
141.72421	0.7
195.13940	0.9
267.81854	0.7
277.21695	1.0
295.22742	12.6
296.23151	1.8
316.00861	0.6
429.26794	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	429.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19504	0.6
61.98825	2.0
62.16306	0.8
66.35616	0.8
71.13401	1.0
71.13725	1.0
72.99314	12.7
73.02950	6.8
75.00877	81.6
122.19514	0.7
126.60448	0.7
221.08183	0.8
429.35840	100.0
430.36169	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	430.0637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.6
57.03433	1.3
58.99606	3.9
59.01376	10.4
61.98829	1.3
62.60241	0.2
64.47329	0.2
71.01383	6.9
71.05893	0.8
72.99286	0.4
73.02953	1.9
74.99115	0.3
75.00889	0.5
79.95741	0.8
80.96527	0.4
83.01377	1.5
84.01676	0.3
85.02959	6.2
86.03308	1.0
87.00899	0.8
88.04053	4.9
89.02452	2.8
96.96022	14.6
97.95977	0.3
98.95610	0.8
99.00885	0.8
101.02453	1.8
102.00206	0.9
102.98620	4.3
111.00877	0.9
113.02460	1.2
115.00372	2.6
117.80895	0.3
120.01266	35.0
120.99667	100.0
122.00072	1.5
129.01961	2.7
130.02319	0.4
131.03537	0.5
132.01291	0.4
134.03746	3.4
137.02461	0.3
138.97150	0.4
143.03477	0.6
146.02856	1.1
147.03018	0.4
149.02444	1.2
149.04581	1.1
149.06117	0.6
152.01199	0.5
157.65604	0.3
160.01677	0.6
161.04645	0.4
164.04842	0.4
165.05171	0.6
165.99982	0.3
166.12431	0.5
166.98453	1.3
167.03500	1.1
168.03842	0.6
173.00902	0.9
175.04053	1.4
178.02708	0.6
185.03819	0.9
191.02016	0.7
193.05038	2.6
203.05936	0.6
209.04488	0.6
218.08229	1.3
223.06165	0.4
224.06435	0.8
236.00475	0.3
241.00151	1.0
252.07193	0.3
254.01616	66.1
255.01871	3.3
261.87088	0.3
262.07248	1.4
291.12741	0.5
296.06000	0.9
315.14487	0.7
355.12964	0.5
429.14197	1.1
430.06424	5.3
430.17728	9.3
431.06183	0.5
431.15881	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.048
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.2
58.99604	5.4
59.01380	4.5
62.97712	0.2
65.94021	0.2
71.01390	0.8
73.02949	0.3
74.99099	0.9
79.95729	0.4
85.02962	0.5
86.63588	0.2
87.00870	1.1
89.02447	0.5
96.96016	3.2
98.19902	0.4
99.47878	0.2
101.02450	0.3
102.98613	3.7
113.02436	0.3
117.03474	0.2
120.99671	100.0
122.00082	1.2
125.42165	0.2
134.03743	1.4
147.01234	2.8
151.00406	0.3
166.98466	0.9
175.03955	0.3
175.59525	0.2
186.03287	0.4
190.05142	0.2
193.05086	0.8
193.40567	0.2
197.08362	0.2
214.02704	0.5
234.41592	0.2
236.99017	0.7
239.16583	0.2
241.01468	4.1
242.02142	1.4
243.02869	0.2
245.00861	1.8
255.00011	79.6
256.00302	3.7
270.01666	3.7
271.02414	1.5
298.01193	2.2
299.01965	1.7
331.46494	0.2
403.06125	0.3
431.05966	5.9
431.14667	1.0
432.06268	0.6
432.16516	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05381	0.3
51.95904	0.2
55.01870	0.2
57.03444	0.8
58.00602	0.3
59.01378	100.0
60.01707	1.5
66.33912	0.2
69.93573	1.6
71.01383	5.4
72.99310	0.3
73.02943	1.5
79.95751	0.7
83.01411	1.0
85.02953	3.9
85.49760	0.2
87.00883	0.5
89.02448	2.6
95.01390	0.5
96.96021	9.7
98.20056	0.4
98.95613	1.4
99.00903	0.3
101.02462	2.7
111.00877	0.5
113.02449	2.2
115.00443	0.3
119.03523	0.9
129.01985	0.4
143.03481	0.3
147.02969	0.3
149.02490	0.9
159.55826	0.2
161.04605	0.8
164.04820	0.6
179.05734	0.3
189.12891	1.3
191.02013	0.9
205.05319	0.3
207.13905	0.4
223.04379	0.3
223.06239	1.1
225.15038	0.6
241.00346	0.7
243.00066	0.3
267.07138	0.3
277.59091	0.2
342.09409	0.3
343.08963	1.2
373.33762	0.3
385.10312	0.6
387.20410	1.6
429.09006	0.6
429.14560	7.4
429.21487	1.3
430.14786	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.2
57.03434	0.6
58.00587	0.3
59.01378	100.0
60.01712	0.9
68.73128	0.2
69.68013	0.5
69.68428	1.1
71.01380	5.1
72.99300	0.3
73.02951	1.6
79.95753	0.7
81.78197	0.2
83.01427	0.6
85.02954	3.0
85.03434	0.3
87.00889	0.2
89.02448	2.6
95.01431	0.4
95.95268	0.3
96.96021	10.0
98.95617	1.2
98.96405	0.3
99.00913	0.2
101.02453	2.3
111.00884	0.3
113.02454	1.9
119.03494	1.1
119.73884	0.2
120.01313	0.3
129.01974	0.3
143.03487	0.3
147.03035	0.3
149.02458	0.5
150.97128	0.3
161.04581	1.5
164.04872	0.3
189.12814	1.1
191.02014	0.3
205.03563	0.3
207.13841	0.4
223.04352	0.3
223.06235	0.6
225.14981	1.2
241.00427	0.8
242.99789	0.3
312.99396	0.2
343.08881	1.2
369.19272	0.5
385.10687	0.2
387.20218	1.6
429.08939	0.7
429.14465	8.9
429.21530	1.5
430.09128	0.2
430.14789	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	2.2
56.12819	0.3
57.03449	14.2
59.01379	14.2
61.98832	1.6
67.34068	0.4
68.99817	0.4
69.03483	0.6
70.04881	1.8
71.01389	4.4
72.99323	1.6
73.02959	0.7
75.00883	1.4
79.95744	1.3
80.96512	0.5
83.01397	2.2
84.02166	2.3
85.02959	100.0
86.03288	2.5
87.00873	1.9
89.02465	0.9
96.96024	19.6
98.95618	0.6
99.00913	0.6
101.02490	0.7
103.00390	2.3
106.06660	0.4
111.00901	4.5
115.00389	0.7
129.01962	10.8
133.01324	0.3
138.97076	0.7
144.99864	0.3
147.03015	14.5
151.06367	0.3
152.98682	0.4
173.00935	2.4
185.00909	0.4
191.01999	44.0
192.02408	1.6
209.02998	2.2
219.13979	0.4
225.14877	0.4
237.14990	0.9
241.00247	1.3
262.44559	0.3
340.05518	0.4
358.10361	0.3
367.17258	0.3
411.16907	0.5
429.17868	22.3
430.18243	2.4
441.25000	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.2
57.03434	0.6
58.00587	0.3
59.01378	100.0
60.01712	0.9
68.73128	0.2
69.68013	0.5
69.68428	1.1
71.01380	5.1
72.99300	0.3
73.02951	1.6
79.95753	0.7
81.78197	0.2
83.01427	0.6
85.02954	3.0
85.03434	0.3
87.00889	0.2
89.02448	2.6
95.01431	0.4
95.95268	0.3
96.96021	10.0
98.95617	1.2
98.96405	0.3
99.00913	0.2
101.02453	2.3
111.00884	0.3
113.02454	1.9
119.03494	1.1
119.73884	0.2
120.01313	0.3
129.01974	0.3
143.03487	0.3
147.03035	0.3
149.02458	0.5
150.97128	0.3
161.04581	1.5
164.04872	0.3
189.12814	1.1
191.02014	0.3
205.03563	0.3
207.13841	0.4
223.04352	0.3
223.06235	0.6
225.14981	1.2
241.00427	0.8
242.99789	0.3
312.99396	0.2
343.08881	1.2
369.19272	0.5
385.10687	0.2
387.20218	1.6
429.08939	0.7
429.14465	8.9
429.21530	1.5
430.09128	0.2
430.14789	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.7
57.03447	12.0
59.01375	26.3
60.19416	0.7
61.98819	3.5
68.99809	1.2
69.03436	1.1
71.01386	9.6
71.73151	1.4
72.99304	3.7
73.02948	2.0
75.00882	6.9
79.95740	1.7
83.01391	3.3
84.02168	3.3
85.02953	100.0
86.03263	1.6
87.00886	3.7
87.07608	0.8
88.04063	1.4
89.02439	2.5
95.01385	1.6
95.95258	1.1
96.96018	13.5
99.00883	4.4
101.02429	2.3
103.00396	2.5
111.00871	4.6
113.02465	7.6
115.00350	2.0
116.15471	0.7
117.92908	1.3
118.92701	1.0
129.01953	13.4
132.03035	1.2
135.11848	0.9
147.03009	13.2
158.56720	0.8
173.00883	1.6
179.10780	11.9
191.01971	41.6
192.02321	1.7
209.03003	2.5
231.04878	1.1
237.14830	1.7
249.06125	9.2
267.07162	2.2
411.16397	1.3
429.12494	2.5
429.17468	25.9
430.18088	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	429.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.2
59.01374	1.5
59.92002	0.2
70.21299	1.1
71.01373	1.3
72.99306	0.4
75.00890	0.3
78.57615	0.2
79.95741	3.4
80.96504	1.5
83.01366	0.3
85.02949	1.2
89.02465	0.5
95.95237	2.5
96.96020	67.8
98.19943	0.3
98.20470	0.3
101.02450	0.7
113.02463	0.6
119.69620	0.2
120.01276	0.5
122.97585	0.8
125.02465	0.3
129.01964	0.3
138.97093	3.9
150.97089	1.6
152.98724	0.2
157.86018	0.3
164.98651	0.3
166.79018	0.2
166.80574	0.2
168.98119	0.4
177.04024	1.6
180.98186	0.7
198.99176	2.7
205.03461	0.6
213.00693	0.3
222.99210	0.4
235.22462	0.2
241.00238	4.6
256.99670	1.0
259.01306	1.6
267.07135	0.4
349.05920	0.3
429.14343	100.0
430.14670	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38207	0.3
57.03435	0.6
59.01375	2.3
59.32482	0.3
61.98833	3.1
69.98923	1.6
71.01380	2.0
71.38464	0.3
72.99305	0.4
73.02959	0.4
79.95753	3.1
80.96551	1.5
83.01392	0.3
85.02957	2.7
87.00890	0.4
89.02457	0.9
95.95247	2.3
96.96021	72.1
97.95937	0.4
98.20680	0.3
98.95605	0.3
101.02461	1.8
111.00903	0.6
113.02482	0.4
122.97591	1.0
125.02453	0.6
125.73179	0.3
129.01926	1.0
134.14177	0.3
138.97083	1.7
150.97066	1.0
164.98628	0.5
172.79955	0.3
177.04039	0.9
180.98158	1.0
198.99184	1.2
205.03525	1.0
222.10587	0.3
222.99129	0.4
223.04553	1.0
225.00664	0.4
241.00261	4.1
256.99731	1.2
259.01547	0.4
357.08359	0.4
369.16565	0.4
385.11798	2.1
386.12546	0.3
429.14352	100.0
430.14709	10.3
430.19226	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.4
59.01375	2.3
70.06441	1.2
71.01385	1.1
79.95750	2.6
80.96519	1.5
83.01379	0.2
85.02956	1.9
89.02454	0.7
94.25052	0.2
95.95244	1.3
96.96021	74.0
97.76944	0.3
97.95952	0.3
101.02464	1.1
111.00796	0.3
113.02493	0.4
122.97598	1.1
129.01929	0.5
129.70662	0.2
138.97093	2.4
149.02429	0.4
150.97087	1.4
164.98634	0.4
180.98116	1.2
198.99181	1.4
222.99011	0.4
223.06209	0.3
225.00748	0.6
235.23299	0.3
241.00241	4.4
242.00417	0.2
259.01355	0.4
304.36975	0.3
358.43970	0.2
385.11862	1.1
429.14343	100.0
430.14694	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	429.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	0.4
59.01377	22.2
69.03458	0.7
69.63736	1.8
69.64143	0.8
70.81562	0.3
71.01387	3.2
72.99319	0.6
73.02945	1.1
79.95747	9.9
80.96521	1.8
83.01378	0.6
85.02943	2.0
87.00905	0.6
89.02439	1.6
95.95245	10.8
96.96021	87.8
97.95943	0.5
98.95626	0.5
99.00919	0.4
100.30212	0.3
101.02477	1.9
106.04057	0.3
113.02452	1.3
115.92139	0.4
122.97629	1.6
138.97073	2.1
141.95795	0.8
145.93494	0.3
150.97076	1.9
152.98643	0.7
161.04680	0.6
164.98700	0.9
170.63869	0.3
180.98112	1.3
182.99762	0.4
185.00894	0.4
225.00761	5.6
241.00217	8.6
285.02826	1.3
329.05460	0.6
338.03238	0.4
343.86057	0.3
349.18427	0.7
385.11722	0.8
387.20258	0.6
429.14328	100.0
430.14642	10.9
451.17154	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.3
59.01371	1.8
71.01392	2.1
71.10146	0.5
71.47695	0.2
72.99306	0.3
73.02936	0.3
75.00864	0.8
79.13733	0.2
79.95734	2.8
80.96529	1.1
85.02962	1.7
87.00867	0.3
89.02460	0.5
95.95238	1.7
96.96021	75.5
97.95975	0.4
98.20217	0.3
99.00865	0.5
101.02479	1.2
111.00861	0.3
113.02453	0.4
121.01154	0.2
122.97608	0.8
129.01981	0.6
138.97084	4.5
150.97076	0.9
164.98569	0.3
168.98067	0.5
177.04063	4.8
180.98129	0.8
198.99176	3.1
205.03627	0.4
213.00775	0.8
241.00246	4.3
243.94325	0.2
256.99686	2.7
259.01242	1.7
278.86505	0.3
343.07025	0.4
349.05994	0.5
399.53717	0.3
429.14355	100.0
430.14706	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	429.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.4
57.03447	1.2
59.01374	4.6
61.98855	0.4
66.31499	0.3
70.87093	0.9
70.87451	0.3
71.01379	3.0
72.99317	0.8
73.02961	1.4
79.95749	3.4
80.96524	2.0
83.01388	0.6
85.02956	7.1
85.19168	0.3
87.00875	1.2
88.99850	0.3
89.02454	1.2
95.01382	0.4
95.95250	1.0
96.96021	100.0
98.95605	0.6
99.00907	0.4
100.92592	0.3
101.02453	2.1
111.00867	1.1
113.02457	1.2
120.01264	0.7
122.97595	1.4
123.00877	0.5
125.02460	0.4
129.01958	1.8
138.97093	4.0
147.03021	0.4
149.02412	0.5
150.97093	2.0
164.04724	0.5
164.98596	1.1
169.08629	0.8
177.04074	0.7
180.98058	1.3
187.09656	0.4
191.01863	0.4
198.99194	1.7
205.03445	1.2
209.02864	0.7
223.04405	1.4
223.06273	0.4
241.00218	9.2
242.00262	0.5
256.99579	0.5
259.01129	0.7
261.92200	0.3
324.32059	0.3
341.08871	0.7
343.06699	1.2
385.07584	0.6
429.10141	83.4
430.05502	0.5
430.10474	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	429.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.6
57.03445	1.3
58.00576	0.4
59.01378	70.9
60.01725	0.9
61.98833	0.8
62.09685	0.2
65.55945	0.3
69.03462	0.6
71.01385	9.2
71.73397	0.5
72.99316	0.9
73.02948	2.9
75.00891	1.0
79.95742	6.1
79.96201	0.5
80.96526	2.5
83.01414	1.3
83.05065	0.3
85.02959	6.0
86.00049	0.3
87.00885	2.1
89.02454	6.2
95.01395	0.7
95.95248	2.3
96.96021	100.0
97.02959	0.7
97.95969	0.5
98.95609	1.5
99.00903	1.0
99.04536	1.1
99.92564	0.3
101.02455	5.8
103.00381	7.3
113.02464	3.9
115.92099	0.9
116.92901	1.0
119.03530	2.4
119.05057	0.8
120.01250	0.4
122.97618	0.7
125.02448	0.5
129.01968	0.7
131.03468	0.5
135.04543	0.3
137.09785	0.5
138.97076	1.1
143.03525	0.7
145.02965	0.3
147.03014	0.4
150.97096	1.2
152.98656	1.1
156.02089	0.3
161.02599	0.3
161.04608	2.3
161.09627	0.3
164.98642	2.4
179.05643	2.0
179.10864	0.8
180.98128	2.2
191.01955	0.4
198.99307	0.4
205.03583	0.3
207.13895	0.4
209.16396	0.3
222.99275	0.4
223.13435	1.0
224.95395	0.2
225.00957	0.3
225.15038	0.7
237.15057	0.3
241.00259	4.5
249.06105	0.6
254.07347	0.3
256.99719	0.9
263.15067	0.3
267.07220	1.3
267.12299	0.9
281.13965	1.1
297.17279	0.6
313.32004	0.3
325.09711	1.3
329.20197	0.4
343.10684	77.8
344.11005	5.9
344.14926	0.5
369.19278	0.8
385.11737	30.2
386.12003	2.8
387.20337	1.7
411.09793	0.9
429.10675	23.0
429.17850	12.3
429.62274	0.7
430.10400	2.3
430.18655	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.0
57.03453	4.2
59.01380	6.1
61.98843	0.6
70.58094	1.4
71.01383	4.8
71.03708	0.3
72.99323	1.6
73.02958	1.4
75.00883	1.6
78.15103	0.3
79.72340	0.3
79.95740	3.5
80.96527	2.0
83.01405	1.4
83.30577	0.3
85.02959	18.8
87.00892	1.0
89.02451	1.7
95.01389	0.7
95.95262	1.2
96.65189	0.3
96.96023	100.0
98.95613	1.1
99.00883	1.1
101.02449	3.5
103.00372	0.7
111.00888	4.6
113.02482	2.2
116.92873	3.7
119.03534	0.4
120.01276	1.0
121.02962	0.7
122.97587	1.4
123.00960	0.8
124.04068	0.5
125.02433	1.0
125.09698	0.5
126.91734	0.3
129.01956	6.9
130.02278	0.4
135.04539	1.0
138.97110	3.5
143.03543	0.4
147.03011	0.7
149.02399	1.1
150.97047	1.4
161.02412	0.9
161.04517	0.5
164.04759	0.8
164.98622	1.0
167.66997	0.4
169.08661	0.8
170.04167	0.3
180.98103	1.1
187.02469	0.5
191.01874	1.1
198.99101	1.6
205.03561	4.4
209.02901	0.8
223.04457	3.0
223.06360	0.7
240.97989	0.6
241.00233	8.2
242.99835	0.4
245.00560	0.4
256.99573	0.5
259.01108	0.7
262.16364	0.4
267.07144	2.9
343.07114	2.8
349.14590	0.8
350.14456	0.5
385.07678	1.6
385.11853	0.5
419.50293	0.4
429.10257	83.6
430.10568	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14715	1.1
56.55525	1.0
58.65854	1.2
59.01378	100.0
60.38663	1.2
61.98821	4.6
64.30176	1.1
68.43174	1.2
71.73153	1.6
73.55656	1.2
95.84612	1.1
96.95995	3.8
101.80386	1.1
203.98140	1.3
217.44807	1.1
236.13266	1.2
427.19736	1.6
427.24734	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	429.104
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12740	0.5
55.01881	1.0
55.05799	0.5
57.03453	4.0
58.00607	0.8
58.34775	0.5
59.01377	19.5
61.98833	6.5
66.26840	0.5
68.99812	1.0
69.03472	0.9
71.01382	24.6
71.18607	0.5
71.72018	1.2
72.99297	4.0
73.02951	1.3
75.00880	12.6
79.95743	2.4
80.96523	1.5
82.77144	0.5
83.01398	1.2
84.02176	0.9
85.02956	32.3
86.03306	0.6
87.00881	9.9
89.02444	8.0
91.03981	0.9
95.01395	4.1
95.95210	0.7
96.96019	49.8
98.95584	1.3
99.00892	6.3
101.02413	2.6
103.00372	2.0
107.05039	0.6
111.00904	1.8
113.02460	35.2
114.02795	1.4
115.00401	1.7
117.01925	1.8
120.01270	2.4
124.97239	0.5
125.02460	0.8
129.01962	3.8
131.03511	1.3
133.02995	8.0
134.03773	3.2
135.04539	24.8
136.04866	1.3
138.97084	1.9
149.02495	1.1
161.02461	29.6
162.02812	1.8
175.02492	3.7
177.04108	0.7
179.02055	1.1
179.03514	11.5
180.03780	0.7
197.47913	0.6
198.99257	1.0
205.03592	1.7
205.07173	0.6
207.05113	2.1
218.08228	0.6
223.04532	1.4
241.00200	3.1
249.06184	5.6
253.07127	2.8
267.07190	100.0
268.07556	6.0
369.16583	0.7
385.11755	1.0
399.13345	0.8
411.09381	1.0
429.10236	45.4
429.14517	42.5
430.10532	4.3
430.15817	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	427.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.1
61.01813	0.2
61.98830	100.0
91.26601	0.2
96.96050	0.5
108.10931	0.2
119.05118	0.3
146.16476	0.2
151.90355	0.2
232.55537	0.3
262.80862	0.3
293.20908	0.3
307.60345	0.3
427.24741	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91218	0.3
59.01378	100.0
60.01712	1.1
61.98837	2.1
69.82799	1.6
71.20260	0.3
89.02455	0.3
91.04027	1.1
93.44271	0.3
96.96045	1.3
99.92601	0.6
112.28795	0.3
117.07771	0.3
118.89986	0.9
171.10329	1.3
212.99933	0.3
263.50696	0.3
275.20135	4.2
276.20633	0.5
293.21228	5.4
294.21674	0.6
311.22433	0.5
314.86926	0.3
374.12271	0.5
385.98157	0.4
427.20117	0.6
427.25259	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01723	1.5
61.98832	4.2
71.73105	0.7
85.51115	0.6
92.09863	0.5
96.96048	1.0
129.85950	0.6
132.55760	0.6
141.29309	0.6
427.25012	1.4
447.96347	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01707	0.9
61.05479	0.6
61.98837	2.1
71.01395	1.2
71.43000	0.8
73.07858	0.5
79.95731	0.6
83.37164	0.6
91.04028	2.5
96.96015	3.3
137.74690	0.6
275.20224	1.4
293.21207	9.3
294.21597	1.3
427.20126	2.0
427.25162	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.3
59.01377	3.0
60.93882	0.2
61.98824	1.0
65.22118	0.2
69.82734	1.3
71.01384	1.9
72.99294	0.4
73.02932	1.1
75.00869	0.5
78.51668	0.2
79.95747	3.1
80.96526	1.7
83.01389	0.6
85.02956	2.2
87.00871	0.4
89.02456	0.4
90.03035	0.2
92.85337	0.2
95.01391	0.2
95.95232	1.1
96.96021	81.3
97.02950	0.2
97.95956	0.3
98.95609	1.4
99.00796	0.2
100.65882	0.2
101.02445	1.6
101.57755	0.2
113.02469	0.8
115.92104	0.3
122.97577	1.5
125.09750	0.2
129.01973	0.3
133.02992	0.2
134.03754	0.9
138.97079	2.1
150.05591	0.2
150.97112	1.5
152.98524	0.3
161.04623	0.3
164.98587	0.5
172.52292	0.2
180.98170	1.1
191.01810	0.2
193.05032	0.8
198.99213	0.8
203.63345	0.2
205.12306	0.6
215.12898	0.6
222.99228	0.3
223.06145	0.7
225.00876	0.3
241.00243	4.9
246.06961	0.2
249.06308	0.2
266.06488	1.4
275.18262	0.2
323.50186	0.2
336.08972	0.2
347.17218	0.4
427.12759	100.0
428.13083	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	425.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41143	1.6
55.01871	5.6
59.01371	8.1
61.98827	3.4
68.99803	3.9
69.66994	11.5
71.01387	28.2
72.99326	1.4
75.00876	5.2
79.57923	1.2
83.05038	1.5
85.02978	1.5
86.02481	3.0
89.02452	4.8
90.77152	1.4
91.07568	1.4
99.00893	27.3
101.02457	17.3
115.00368	1.3
117.01971	2.8
119.03500	5.6
129.01933	7.1
147.03014	97.9
148.03265	3.3
163.11281	4.4
191.10802	1.9
277.21722	100.0
278.21982	9.6
298.80893	1.3
338.22046	6.9
390.44836	1.4
425.25537	20.7
426.26038	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74688	0.4
59.01378	12.7
69.03456	0.5
69.51691	3.0
69.52099	0.8
71.01390	1.8
73.02955	0.9
79.95745	4.8
80.96515	2.8
85.02944	2.2
87.00884	0.5
87.23075	0.4
89.02444	0.8
96.96021	100.0
99.00870	0.6
101.02452	2.4
103.00377	6.1
113.02465	1.3
134.61847	0.4
138.97083	3.3
150.97055	0.7
152.98660	0.8
164.98683	2.6
168.98122	0.6
180.98138	1.8
199.13335	0.6
202.08037	0.4
222.99167	0.9
241.00229	20.7
256.10147	0.4
261.13388	0.5
323.08099	1.8
341.09116	83.4
342.09415	5.8
347.17111	1.3
383.10153	30.4
384.10361	2.7
409.08084	0.6
427.09113	27.7
427.13339	12.0
427.20651	1.2
428.09396	2.4
428.13583	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97034	0.3
58.77989	0.3
59.01381	12.9
71.01385	3.9
71.72231	0.4
72.99345	0.4
73.02969	1.5
75.00902	0.4
79.95745	5.3
80.96523	2.3
83.01414	0.9
85.02969	2.3
87.00906	0.5
89.02451	2.5
95.95276	1.2
96.96024	100.0
98.95624	0.7
99.00909	0.9
101.02456	4.8
101.03080	0.5
103.00377	5.2
112.73724	0.3
113.02443	1.7
119.03512	1.1
122.97585	0.7
125.02414	0.4
138.97083	4.0
143.03493	0.4
150.97095	1.6
152.98553	0.7
164.98654	2.0
165.92357	0.3
167.10762	2.5
168.98045	0.6
180.98169	1.6
185.11816	0.6
198.99037	0.4
199.13286	0.4
218.52985	0.3
222.98979	0.6
241.00247	17.1
241.02480	0.8
242.00267	0.7
256.99457	0.5
261.13083	0.5
269.69260	0.4
294.51352	0.4
323.07425	1.0
341.08368	54.4
342.09424	4.6
343.04587	0.3
347.17084	3.4
383.09207	20.6
383.14508	1.4
384.09549	2.0
389.04852	0.3
409.07294	0.4
427.06952	16.5
427.11716	29.6
427.20612	1.0
427.23627	1.3
428.07462	1.4
428.12015	3.6
450.76508	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.5
59.01133	0.3
59.01379	3.3
69.03459	0.5
69.37814	2.0
69.38243	1.4
71.01371	1.7
72.99307	0.4
73.02939	0.5
75.00870	0.6
79.95272	0.6
79.95743	10.5
80.96516	1.5
83.01364	0.5
85.02937	1.7
86.99380	0.3
87.00877	0.9
89.02434	0.5
95.95241	13.5
96.96017	85.6
97.95955	0.4
98.95594	2.7
101.02460	1.1
109.02965	1.2
113.02467	0.5
114.93380	0.4
115.92097	0.6
120.99667	0.4
122.97572	1.0
125.54391	0.3
128.70621	0.3
138.97086	2.5
140.96608	0.5
141.95775	0.8
150.97084	1.1
152.98624	0.9
153.01906	1.4
162.00938	0.3
164.98506	0.4
168.98141	0.4
175.02499	0.5
177.04103	2.3
180.98193	1.2
182.99821	0.3
198.99318	0.5
202.09360	0.3
217.49663	0.3
221.08267	0.4
222.99184	0.5
225.00748	3.4
241.00232	7.3
244.63959	0.3
256.99722	5.2
268.03217	0.3
289.07120	1.0
323.07706	0.4
425.14890	100.0
426.15219	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1492
Annotation	Cassiarin E
Peak:m/z	Relative Intensity
50.44134	0.2
54.74580	0.2
57.03435	0.5
59.01142	0.3
59.01380	3.5
60.99275	0.3
61.98832	7.4
68.16657	0.3
69.03453	0.9
69.88856	1.4
71.01385	1.9
72.99310	0.7
73.02944	0.5
75.00849	0.5
79.95741	3.9
80.96527	1.8
81.95302	0.4
83.01409	0.3
85.02966	3.6
87.00888	0.4
88.06219	0.3
88.98814	1.4
89.02440	0.5
95.01393	0.4
95.95238	1.6
96.96023	100.0
97.02969	0.4
97.94826	0.4
97.95963	0.7
98.20704	0.3
98.95609	4.6
98.96434	0.8
99.00887	0.7
99.77103	0.2
101.02448	1.5
113.02457	0.9
115.92115	0.6
116.92915	0.3
122.97624	0.8
127.73360	0.3
129.01964	0.5
132.79613	0.3
134.03722	0.3
138.97098	1.8
150.97133	1.2
152.98653	0.6
177.01944	0.4
177.04071	0.6
180.98123	2.2
185.00970	0.6
186.33304	0.2
191.02045	0.4
198.99229	0.4
241.00241	6.5
242.99988	0.4
256.99887	1.2
263.05930	2.8
341.69791	0.3
362.14267	0.4
379.10965	0.5
389.18588	0.3
395.13950	1.5
425.15158	96.3
426.10672	0.6
426.15485	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29589	0.3
57.18233	0.3
59.01373	1.9
63.95831	0.3
66.77988	0.3
68.45377	0.3
69.80059	2.2
71.01391	2.6
73.02943	0.8
79.95741	4.0
80.96529	3.1
82.33965	0.3
83.01396	0.4
85.02955	1.1
87.00893	1.2
89.02464	1.1
95.95260	2.3
96.96021	100.0
98.95557	0.4
99.00871	0.7
101.02460	1.7
104.78397	0.3
113.02482	1.0
122.97536	0.5
138.97093	9.0
143.03572	0.3
145.66287	0.3
150.97064	1.6
164.98599	1.1
166.96614	0.3
168.98129	1.1
180.98117	1.1
183.10255	0.5
222.99136	2.5
241.00227	64.3
242.00525	2.4
345.15353	0.4
425.11105	41.7
426.11530	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	425.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	14.4
61.98831	1.2
66.38578	0.5
70.21048	2.5
71.01385	9.2
71.05023	20.0
72.99317	1.0
73.02949	9.9
75.02386	0.9
75.69540	0.5
77.04000	0.7
78.95924	0.7
79.95733	0.5
83.01391	2.2
85.02953	2.1
93.03463	5.8
96.96024	10.3
98.20011	0.6
101.02451	4.7
105.03513	0.9
107.05067	2.6
113.02454	2.3
121.02972	18.5
122.03346	0.6
123.04463	1.0
134.02725	1.2
134.03757	23.6
135.04297	0.9
137.02455	7.0
147.00905	2.6
149.02449	0.7
149.09756	3.6
153.63690	0.5
160.01631	0.7
161.02470	21.2
162.02779	0.7
165.01933	1.7
173.02414	0.5
177.09247	6.3
178.09465	0.8
189.01967	3.7
191.00053	0.6
198.14233	0.5
219.02977	1.9
221.08192	100.0
222.08543	7.1
241.00537	0.6
325.71121	0.6
396.34415	0.6
425.05048	0.8
425.14093	2.4
425.63589	0.5
445.22662	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.9
59.01373	2.7
60.21984	0.3
70.91059	0.3
71.01385	4.7
71.16324	0.9
72.99310	0.8
75.00884	4.0
78.46001	0.4
79.95731	2.4
80.96524	1.8
83.01385	0.5
85.02948	2.9
87.00857	0.5
89.02460	1.3
95.95250	1.5
96.96022	100.0
99.00890	1.5
101.02478	3.0
113.02445	0.8
129.01950	2.1
131.03506	0.6
131.89450	0.4
138.97122	2.1
150.97104	0.9
159.02975	1.4
164.98567	0.4
168.98138	2.3
176.98659	0.5
177.04065	20.5
178.04451	0.8
194.99689	1.0
198.99217	0.8
208.54617	0.4
213.00677	1.9
241.00235	3.7
256.99716	12.3
264.86319	0.4
425.11179	79.8
426.11520	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.076
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.0
71.01392	1.3
71.48892	0.5
73.02956	0.3
79.95269	0.4
79.95743	8.5
80.96529	2.2
81.96305	0.2
85.02950	0.7
87.00880	0.7
90.91319	0.2
95.95244	5.4
96.96021	100.0
97.95945	0.3
101.02445	0.9
113.02464	0.3
122.97579	0.9
125.02448	0.3
131.07217	0.2
138.97086	4.1
140.43324	0.2
141.95795	0.4
143.03500	0.2
150.97099	0.8
152.98672	0.6
153.01923	0.7
164.98650	0.7
167.00279	0.2
168.04315	0.5
168.98135	0.5
180.98117	0.9
182.99728	0.4
197.01312	0.3
207.98793	0.2
222.99184	0.7
225.00758	2.6
241.00235	13.0
242.00597	0.3
286.47275	0.2
381.14984	0.2
410.05096	0.3
425.07556	61.4
426.07892	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.2
57.03444	0.3
58.62537	0.2
59.01374	0.8
59.81110	0.2
67.03762	0.2
69.75183	0.2
70.85618	0.7
71.01384	0.9
72.99306	0.5
73.02951	0.7
78.01770	0.3
79.95743	5.1
80.96521	2.3
83.01387	0.3
85.02953	0.5
87.00852	0.5
89.02473	0.3
94.98100	0.5
95.95245	2.3
96.96018	100.0
97.95946	0.3
98.95576	0.6
101.02455	1.5
113.02447	0.3
122.97583	0.9
138.97084	1.1
150.97021	0.6
152.98648	4.4
153.01961	1.6
164.98595	0.3
168.04323	1.0
180.98177	2.0
225.00725	1.1
241.00215	21.4
242.00443	1.0
264.38062	0.2
381.12286	0.3
410.05383	0.3
425.07404	50.9
426.07632	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.6
57.03452	0.8
59.01382	2.4
60.57517	0.3
61.98846	0.7
69.03450	0.3
70.29036	1.1
71.01383	4.0
72.74567	0.2
72.99312	0.6
73.02959	1.0
74.87223	0.2
75.00886	0.3
79.95740	8.6
80.96522	4.6
83.01398	1.4
85.02965	3.5
87.00895	1.2
89.02457	0.7
95.01387	0.4
95.95237	0.4
96.27988	0.2
96.96022	85.7
97.02964	0.3
97.95950	0.3
98.95645	0.6
99.00890	0.7
99.04521	0.3
100.25559	0.2
101.01795	0.3
101.02454	5.3
101.75330	0.2
111.00928	0.4
113.02454	2.8
115.35502	0.2
121.03049	0.4
122.03740	0.8
122.97563	0.6
123.04568	0.3
125.02465	0.6
137.96307	0.6
138.96036	0.5
138.97086	6.6
143.03497	0.4
150.03261	0.6
150.97084	1.7
153.01959	3.3
153.05576	1.3
165.09128	0.3
166.96556	1.3
168.04288	5.8
168.98091	0.3
169.04628	0.3
180.98108	0.8
182.99637	0.4
183.06627	10.8
184.06947	0.8
222.99240	0.5
241.00238	100.0
242.00534	4.6
259.01346	0.4
277.92566	0.3
281.12415	0.5
365.18192	0.3
425.07092	9.6
426.07492	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01838	0.5
57.03409	1.2
59.01379	8.6
61.98780	1.2
68.80783	0.3
69.03455	2.9
71.01391	3.5
71.63250	0.4
72.99291	1.3
73.02924	1.2
75.00863	0.9
79.95740	6.7
80.96489	1.6
81.95331	0.8
83.01350	0.6
83.05015	1.7
84.93861	0.6
85.02953	5.4
87.00863	0.9
89.02459	0.9
95.01407	0.5
95.54844	0.3
95.95223	3.1
96.96022	100.0
97.02945	0.8
97.06588	1.0
97.94834	0.6
98.95605	2.5
98.96365	0.4
99.00866	1.2
99.92596	37.1
100.92593	1.7
100.93366	4.0
101.02444	2.2
109.02961	0.4
111.00909	0.4
113.02451	2.4
114.94952	6.1
115.92093	60.5
116.92139	4.0
116.92873	77.3
117.92908	4.8
117.93662	0.6
119.03615	0.4
119.05060	1.5
120.01272	0.4
121.03011	0.5
122.78750	0.4
122.97628	0.8
124.05363	0.5
125.71457	0.4
129.01944	0.9
132.92375	0.5
137.02559	0.6
137.09795	0.9
138.97076	3.7
140.92912	1.6
141.93697	0.6
142.94444	12.4
143.94554	0.8
150.97116	1.3
151.07712	0.5
152.01236	0.4
156.92438	1.8
157.93306	0.5
158.93929	21.0
159.94083	1.6
161.04462	0.5
163.04108	1.1
163.11411	1.7
167.03641	0.5
168.92459	0.4
173.92711	0.8
174.93451	4.0
175.02657	0.5
175.11342	0.6
177.04181	1.0
180.98222	0.4
184.91847	6.6
185.01074	1.5
185.92723	0.6
186.93434	5.6
187.93597	0.6
198.99425	0.5
202.92908	8.5
203.10999	1.5
203.93048	0.5
221.12086	0.7
222.99281	0.5
229.46051	0.5
241.00235	13.6
242.00755	0.4
249.06425	0.9
249.08916	0.7
257.00034	0.9
263.13342	1.1
267.07404	0.6
300.03116	0.5
321.04437	2.0
325.04178	0.9
339.05490	2.1
347.15610	0.9
351.05927	0.6
365.16794	0.9
374.13181	1.3
381.06625	2.5
405.05661	0.4
425.00351	1.7
425.06451	14.9
425.15115	44.1
426.06055	2.7
426.15518	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	425.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79429	0.2
59.01368	1.0
71.01385	1.8
72.99286	0.3
73.02956	0.6
79.95739	3.7
80.96533	2.4
83.01380	0.2
85.02952	0.7
87.00882	0.5
89.02462	0.2
95.95247	1.3
96.96018	100.0
97.95945	0.5
99.00873	0.3
101.02457	0.8
110.97584	0.7
113.02457	0.5
114.84785	0.2
118.16842	0.2
122.97600	0.6
125.02480	0.2
138.97086	7.4
143.03514	0.4
147.90779	0.2
150.97058	0.9
152.98584	0.3
164.98611	0.7
168.00702	0.5
168.04285	0.2
168.98112	0.7
173.09326	0.2
174.43173	0.2
180.98128	0.6
183.03030	0.4
183.06593	0.5
222.99136	0.9
225.00743	0.3
229.38008	0.2
241.00227	25.8
242.00529	1.0
281.19119	0.2
385.89380	0.2
425.07608	37.7
426.07947	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	424.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81404	0.2
59.01379	100.0
60.01701	1.2
61.98831	33.4
65.62495	0.2
69.72965	1.5
71.01404	1.0
76.49792	0.2
81.97559	0.2
93.37663	0.2
96.96012	0.2
194.43156	0.2
224.55505	0.2
226.53334	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	80.6
60.01709	1.3
61.98829	100.0
64.77383	0.6
70.90681	2.2
78.96920	0.7
94.10281	0.7
96.96022	1.1
155.39812	0.7
176.52028	0.6
226.70337	0.8
238.66249	0.8
296.49500	0.7
442.60004	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	0.2
59.01374	1.2
61.96925	0.2
61.98822	0.2
71.01042	0.2
71.01378	2.5
72.99297	0.2
73.02931	0.6
79.95734	4.2
80.96082	0.2
80.96523	2.7
81.70637	0.2
82.36142	0.2
83.01396	0.3
85.02950	1.3
87.00876	1.0
89.02455	0.5
95.95240	1.2
96.96018	100.0
97.02942	0.3
97.95957	0.2
98.19939	0.5
99.00893	0.6
99.04515	0.2
100.57220	0.2
101.02449	1.4
110.97600	0.6
113.02479	0.8
115.76963	0.2
122.97601	0.5
124.01675	1.6
125.02460	0.4
132.61336	0.2
135.04515	0.3
138.97089	8.3
139.04004	0.5
143.03546	0.5
150.97079	1.2
152.98683	0.3
161.04549	0.3
164.98605	1.0
168.00645	2.4
168.98180	0.7
180.98215	0.8
183.02983	4.0
183.06601	0.2
191.02194	0.2
200.96184	0.2
222.99150	1.9
225.00748	0.5
241.00223	45.8
242.00525	2.0
275.55795	0.2
305.48114	0.2
311.39307	0.2
345.08603	0.2
424.95648	0.4
425.04144	4.1
425.08264	22.7
426.03732	0.3
426.08478	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	423.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92035	0.2
53.44209	0.2
61.98835	0.5
63.63423	0.2
71.48115	0.4
73.02911	0.3
73.14629	0.2
78.95905	12.3
98.20113	0.3
104.97475	0.6
110.98539	8.1
137.00146	0.4
150.36229	0.3
152.99594	0.8
166.02676	0.2
167.01161	11.4
168.01506	0.3
185.02167	2.0
255.23274	100.0
256.23605	10.0
339.19669	0.3
423.25137	25.7
424.25531	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	424.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03440	0.2
57.03443	0.8
59.01379	4.0
60.01704	0.3
61.98832	100.0
62.98549	0.2
69.03453	0.3
69.49068	1.5
69.49491	0.3
71.01391	1.6
72.99316	0.4
73.02943	0.2
75.00883	1.7
78.95927	0.3
79.95741	1.4
80.96523	0.5
85.02960	5.2
86.03277	0.8
87.00889	0.3
89.02435	0.5
93.03447	0.2
95.95257	0.9
95.95852	0.2
96.96024	35.0
98.95587	0.2
99.00904	0.5
101.02460	1.0
101.12535	0.2
103.00452	0.2
110.06200	0.2
110.97586	0.2
111.00930	0.3
112.42589	0.2
113.02460	0.6
119.03549	0.3
119.05016	0.5
121.05368	0.2
122.06133	1.0
123.06456	0.2
129.01987	1.1
133.02954	0.2
137.02437	0.2
138.05855	0.2
138.06923	0.2
138.97090	1.0
144.04639	0.2
145.05370	1.0
146.06123	0.6
147.03024	0.3
159.03107	0.5
160.04062	2.9
161.02489	0.5
161.04829	1.9
163.04001	0.3
164.04453	0.2
164.98630	0.2
168.98122	0.4
173.04559	0.4
174.04979	0.3
176.03445	0.8
177.04074	6.6
188.03494	0.3
189.04311	5.7
190.05000	0.4
191.02007	1.6
192.02386	0.6
193.03795	0.8
193.58080	0.2
194.99576	0.2
198.99014	0.2
203.12906	0.5
209.02953	0.2
210.03215	0.2
213.00743	0.6
215.05653	0.4
216.05954	0.5
221.03374	1.1
221.06921	1.5
231.11232	0.2
233.06660	0.3
234.06863	0.3
241.00163	1.3
243.11337	0.4
253.05919	0.6
255.11417	1.3
256.99722	3.2
267.11395	2.6
268.12106	0.2
283.10809	0.4
285.12579	0.5
299.10406	1.4
311.10388	3.3
312.10626	0.4
326.56860	0.2
329.11423	0.8
331.12970	1.2
342.06531	0.2
343.12985	8.8
344.13287	1.0
345.15717	0.2
361.14059	14.3
362.14377	1.7
373.20947	0.2
380.10556	0.6
424.09070	0.4
424.13739	0.7
424.18600	0.4
425.11160	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	423.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
64.35361	0.2
65.28761	0.2
67.31081	0.3
71.19377	0.7
78.95908	5.4
85.35454	0.2
104.97488	0.3
110.98550	4.6
110.99316	0.3
120.27386	0.3
134.12019	0.3
158.17863	0.3
163.11293	0.6
167.01146	3.3
167.31450	0.2
185.02243	2.5
236.74605	0.3
255.23283	100.0
256.23615	9.4
339.19818	0.4
423.25125	10.9
424.25488	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91863	0.3
57.03439	1.2
57.66965	0.3
59.01372	3.2
61.98831	0.8
71.01383	3.8
72.99308	0.6
73.02970	0.4
75.00890	0.6
76.58635	0.3
79.95741	36.3
80.96526	1.3
83.01369	0.4
85.02951	5.4
87.00897	0.5
89.02498	0.4
95.95242	52.8
96.96020	77.5
98.95587	1.2
99.00882	0.5
99.04549	0.6
99.92600	1.1
101.02438	0.7
113.92632	0.9
114.93431	0.4
115.92071	2.0
116.92879	2.0
117.92947	0.3
119.05079	0.3
120.99667	0.4
122.97598	1.5
129.01945	0.9
135.05984	0.3
138.97087	3.5
141.95808	0.6
143.29489	0.3
144.75502	0.4
147.02986	0.7
147.90327	0.4
150.97089	17.1
151.97862	8.4
152.98586	0.5
164.98598	0.7
168.98225	0.5
176.98703	0.8
177.04074	2.7
180.98145	0.6
182.99733	0.6
191.02032	2.1
192.35048	0.4
194.99733	0.9
198.99211	0.5
213.00752	1.2
222.99170	4.0
223.93054	0.3
225.00731	0.8
230.93790	0.4
241.00233	9.4
242.00818	0.6
242.99832	0.4
256.99670	3.5
272.78046	0.4
326.06799	0.8
327.07568	1.8
333.13733	0.8
381.68167	0.4
387.26523	0.3
392.95877	0.4
422.38541	0.4
422.65625	0.6
423.13272	100.0
424.13599	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	423.1694
Annotation	Melicobisquinolinone B
Peak:m/z	Relative Intensity
57.03444	1.2
59.01091	0.4
59.01376	4.4
61.98800	0.2
65.84364	0.3
69.03476	0.3
71.01390	3.1
71.72729	0.4
72.99313	0.8
73.02959	0.4
75.00873	2.1
79.95749	3.9
80.96522	0.3
83.01369	0.3
84.02159	0.3
85.02956	4.9
87.00889	1.2
89.02455	0.6
93.03449	1.0
95.01389	0.5
95.95235	1.4
96.96020	100.0
97.95940	0.6
98.95597	0.6
99.00893	1.1
99.04491	0.3
101.02443	0.6
103.00373	0.4
109.02978	0.3
111.00869	0.3
113.02450	3.4
113.09737	0.5
115.00385	0.3
127.11299	0.8
129.01947	0.5
135.04597	0.3
137.02444	1.9
138.97081	0.9
147.03047	0.3
150.97052	0.4
173.04572	1.9
173.11835	14.9
174.12227	0.7
175.02542	0.6
191.02013	1.1
225.00595	0.3
227.92247	0.3
233.06650	1.9
241.00241	3.2
249.06120	3.2
259.01273	0.3
273.11615	1.2
303.03879	4.5
315.23849	0.2
343.10587	0.4
395.18802	0.3
423.05594	3.2
423.17267	72.0
424.07208	0.5
424.12738	1.1
424.17572	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	423.1296
Annotation	Uncinoside B
Peak:m/z	Relative Intensity
55.01867	0.6
57.03428	0.6
59.01379	100.0
59.14799	0.6
60.01726	1.5
61.98840	1.4
66.63387	0.5
68.99813	0.9
69.03463	1.3
69.69199	2.9
69.69604	0.9
71.01386	56.9
72.01714	0.7
73.02958	4.7
73.07066	0.6
75.52055	0.6
81.03464	1.9
83.01398	7.5
85.02956	6.3
87.04519	2.1
89.02449	1.7
89.06100	3.2
93.69187	0.6
95.01397	1.7
95.95246	0.7
96.96024	5.4
97.02962	1.5
99.00876	1.3
101.02442	3.9
113.02451	7.6
115.91988	0.7
121.02972	22.7
122.03304	0.8
125.02464	2.2
131.07129	0.6
142.02754	0.8
143.03499	1.2
145.02817	0.6
161.04529	1.3
165.01945	0.9
182.07491	0.5
213.58151	0.6
233.10281	19.7
233.12616	1.0
234.10658	0.9
237.00475	0.6
237.07599	1.8
238.44897	0.5
241.00208	0.8
291.08627	1.7
381.11920	9.6
381.28571	0.5
382.12320	1.0
423.12811	24.9
423.24472	1.4
424.13199	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0633
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18085	0.2
55.01865	0.3
57.03444	0.4
59.01384	3.0
61.98831	0.7
71.01380	2.8
71.01732	0.4
71.71188	0.4
71.72206	0.3
72.99306	0.7
73.02959	0.9
75.00877	0.7
77.11585	0.3
78.95909	4.7
79.95738	3.9
80.96534	1.8
83.01395	0.7
85.02961	4.0
87.00883	1.4
89.02483	0.8
94.33874	0.2
94.98098	0.4
95.01386	0.3
95.95251	0.9
96.96022	100.0
96.96923	9.2
97.95943	0.3
98.95622	1.2
98.96464	0.3
99.00922	0.6
101.02461	2.5
103.00380	0.3
104.49236	0.3
111.04544	0.4
113.02450	1.3
119.05036	0.4
120.01296	1.5
122.97604	1.0
125.02395	0.4
129.01927	0.4
138.97076	1.6
143.03505	0.4
147.02982	0.4
149.04546	0.3
150.97067	1.3
152.98610	2.4
155.03534	0.5
155.34288	0.3
163.04097	0.3
173.04494	0.7
180.98148	3.9
181.05052	0.6
191.01979	0.8
198.10304	0.6
209.03000	0.6
222.99255	0.5
241.00220	16.3
242.00473	0.5
242.99857	0.3
243.03488	0.3
249.06174	1.6
256.99686	0.3
264.00143	0.3
267.07211	0.5
302.10876	0.5
303.11786	0.6
325.13992	0.8
331.20129	0.3
331.33963	0.3
423.06238	81.0
424.06464	6.7
424.11508	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11265	0.9
51.41072	0.7
52.22435	0.7
52.78490	0.7
57.03222	0.8
57.03436	4.3
57.07787	0.8
59.01376	42.1
61.98841	2.3
67.01898	2.5
69.03483	1.7
69.56104	7.8
71.01388	8.6
73.02974	1.2
75.00897	3.2
78.95938	1.1
79.95739	7.8
80.96555	2.1
81.03493	0.9
83.01422	1.2
83.05061	1.2
85.02954	11.0
85.98857	0.7
87.00924	1.6
89.02470	1.4
93.03464	14.3
93.03996	0.8
95.01441	1.3
95.05704	0.7
95.95287	3.4
96.96019	100.0
98.19877	1.3
98.95640	3.1
99.00925	2.4
99.04563	1.9
99.92685	0.8
101.02477	3.1
109.03014	1.1
111.00912	1.1
111.04577	3.6
113.02464	4.0
115.00449	0.8
115.04047	0.9
117.01992	1.1
119.05087	1.9
120.01237	1.0
122.97633	1.1
125.02520	1.2
127.11349	1.6
129.02023	1.9
137.02489	4.4
138.97128	3.2
145.03072	1.6
150.03253	1.1
150.06023	0.8
150.97131	1.5
152.98634	1.7
155.03519	5.1
163.04054	1.2
173.04562	80.4
173.11852	14.1
174.04990	3.3
174.12204	1.0
175.02678	0.9
180.98218	1.5
191.02048	2.3
191.05612	7.7
195.06665	1.1
198.99194	0.9
199.94290	0.8
223.48572	0.7
225.00784	1.1
233.06657	89.3
234.06964	5.8
241.00241	11.2
242.00673	0.9
243.00003	0.8
249.06355	2.8
256.99982	1.2
257.09000	0.7
259.01501	1.7
273.11813	1.0
279.14734	1.5
319.08527	2.4
379.10498	1.9
423.13547	78.3
423.18808	17.7
423.58850	1.0
424.13687	10.0
424.19171	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0604
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58313	0.2
55.20334	0.2
57.03436	0.3
59.01381	4.4
59.05306	0.3
61.98830	1.2
69.63374	0.2
71.01382	2.3
71.71660	0.2
72.99294	0.4
73.02962	0.4
75.00868	0.2
79.95743	3.6
80.96538	2.3
83.01387	0.3
85.02941	2.2
87.00898	1.1
89.02448	0.6
93.03503	0.3
95.95248	1.4
96.96024	100.0
97.95971	0.5
98.95606	1.6
99.00896	0.4
101.02457	1.1
109.02956	0.7
109.06590	0.4
111.02040	0.3
113.02486	1.6
115.00352	0.3
119.05040	0.8
120.01302	0.4
121.02957	0.4
122.97590	0.7
123.04579	0.3
125.02483	0.3
129.01903	0.3
130.04227	0.3
135.04507	1.1
137.06091	3.3
138.97092	6.7
145.02985	0.6
147.03049	0.4
150.97067	1.2
161.04559	0.3
164.98634	1.2
168.98090	0.8
173.08263	0.3
179.03491	0.6
180.98058	0.8
181.05080	12.2
182.05476	0.5
191.01945	0.3
194.55211	0.3
195.06680	0.4
198.99199	0.6
204.01482	0.2
209.02896	0.3
217.05031	0.7
222.02258	0.2
222.99199	1.6
223.06100	0.3
225.00748	0.5
241.00232	26.7
242.00447	1.0
243.00009	0.5
249.06039	0.6
253.07077	0.4
259.01297	0.5
260.49811	0.3
261.03967	0.3
343.10214	1.1
356.85278	0.3
360.17154	0.3
363.16547	0.3
404.96899	0.3
423.05841	62.8
424.06046	5.7
424.10474	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13169	0.8
57.03444	1.8
59.01381	13.6
61.98843	0.9
66.00131	0.9
71.01369	3.0
71.72852	1.6
72.76977	0.8
72.99302	1.3
73.02954	1.5
75.00852	1.0
79.95747	6.6
80.96513	2.2
82.94087	0.9
85.02959	10.5
87.00876	1.4
95.95242	1.6
96.96021	100.0
98.95589	0.9
99.00877	1.1
101.02418	1.7
107.64499	0.9
113.02476	1.5
124.07595	1.0
126.55881	0.9
129.01990	1.9
137.02483	1.0
138.01979	2.2
138.97040	2.0
152.98668	3.0
164.04773	5.0
171.10263	1.1
179.07149	3.5
180.98007	1.6
181.05042	0.9
191.02014	5.5
195.06636	1.8
241.00229	36.1
242.00574	1.7
259.01187	1.0
259.06033	2.2
260.06201	1.0
283.01382	1.0
311.09256	1.0
361.18686	1.1
373.12854	1.8
379.20221	1.0
380.03006	2.0
420.98572	1.6
421.07974	14.0
421.11932	9.2
421.16498	3.8
421.20679	3.4
422.03705	1.3
422.12375	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.8
59.01378	69.2
60.01717	0.7
61.98832	7.9
67.68962	0.3
69.03461	0.6
71.01379	6.9
71.49073	0.6
72.99319	1.2
73.02954	1.1
74.23305	0.3
75.00894	1.8
79.95744	8.7
79.96193	0.6
80.96528	2.7
83.01385	0.6
85.02953	6.0
87.00900	1.6
89.02452	4.9
93.03427	0.6
95.01398	1.1
95.95240	3.1
96.96019	100.0
97.95980	0.4
99.00910	1.2
101.02454	4.9
103.00384	0.9
103.30301	0.4
109.17515	0.4
110.97594	0.7
113.02472	5.3
115.00372	0.8
119.03520	2.9
122.97591	0.6
125.02491	0.6
129.01930	1.2
135.04547	0.5
137.09709	0.7
138.97098	5.0
143.03476	0.8
147.03011	0.6
149.80699	0.4
150.03203	0.4
150.97026	1.5
151.59561	0.4
152.98625	1.5
153.12856	4.8
154.13226	0.5
161.04527	2.1
162.04837	0.3
163.04013	0.4
164.04787	1.9
164.98610	0.8
168.98111	0.7
171.10266	1.1
179.05614	1.2
179.07132	1.3
180.98129	2.0
186.86615	0.4
191.01936	1.3
198.99213	0.8
199.13403	72.8
200.13742	4.9
222.99097	0.9
223.13306	1.0
241.00237	23.4
241.14386	1.3
242.00505	1.1
249.06023	0.9
253.14265	0.5
256.99637	1.4
259.01556	0.4
291.05264	0.5
335.04492	3.4
361.14526	0.5
361.18616	4.5
362.18860	0.6
377.05414	2.4
377.18076	0.5
378.05295	0.4
406.05548	0.5
421.07813	38.2
421.16891	2.8
421.20062	0.7
422.08218	4.3
422.17010	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16241	0.4
69.67485	0.3
69.85664	1.2
69.86088	1.4
78.95906	26.6
89.93506	0.4
98.19861	0.6
100.53018	0.3
110.98543	47.3
111.98891	0.6
119.36081	0.3
152.99593	4.3
164.16953	0.3
167.01147	1.2
180.00793	0.3
185.02213	100.0
186.02560	2.2
187.81401	0.4
253.21724	27.8
254.22069	2.6
371.27502	0.5
421.23743	4.4
422.24063	0.5
422.82455	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.7
61.98829	0.4
69.44847	1.4
69.45278	1.0
78.95906	5.3
96.96015	0.7
110.98550	3.1
145.46977	0.2
151.84430	0.2
152.99591	3.5
161.13499	0.2
167.01131	1.2
183.59908	0.2
185.02200	3.2
200.51680	0.2
223.78474	0.3
244.53630	0.2
253.21709	100.0
254.22055	9.6
254.24744	0.3
358.11014	0.3
421.23584	7.6
422.23883	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	3.4
58.02979	5.6
59.01377	25.0
61.98831	3.2
66.03510	0.9
69.69485	5.6
70.02970	1.2
71.01374	7.6
72.00922	1.9
72.99316	1.3
73.02962	2.2
74.02482	17.1
75.00865	2.1
79.95741	10.0
80.96520	2.6
82.02988	1.4
83.01402	1.2
83.90358	0.9
85.02957	11.8
86.02486	6.1
86.06145	1.7
86.99138	0.9
87.00889	1.7
87.05660	3.1
89.02455	3.0
90.00198	1.5
93.03494	1.1
95.95259	7.0
96.96024	100.0
97.04123	2.1
97.94794	1.1
97.95947	1.9
98.20620	1.2
98.95608	8.9
98.96429	1.0
99.00858	0.9
99.05663	13.1
99.92598	1.9
100.99437	0.8
101.02461	3.1
101.07298	1.0
102.05625	1.5
102.27654	0.9
109.04098	1.7
110.97580	4.7
111.00898	1.5
112.04068	1.8
112.97130	0.9
113.02456	3.2
115.92043	1.6
116.01760	1.5
116.92873	1.4
119.03472	1.5
119.05066	2.0
120.01296	1.7
121.02937	1.0
122.97610	1.1
123.00867	0.9
123.04595	1.1
123.05655	1.7
124.04044	1.4
127.05167	2.6
128.03563	37.2
129.01990	2.0
130.08751	1.7
131.04630	1.8
135.04601	1.8
135.05672	3.0
138.05652	1.2
138.97099	5.9
140.96736	0.9
141.06714	3.3
143.04645	50.3
144.05078	1.2
145.06221	3.1
146.04630	3.9
149.02486	4.2
150.03256	8.6
150.97118	2.5
151.03958	1.2
152.98604	1.2
153.05605	3.0
153.06718	3.0
159.06691	1.2
160.00757	15.9
163.04019	2.1
164.04840	1.5
165.05597	8.9
166.02740	2.2
166.09868	2.1
167.04660	5.4
167.08270	1.6
170.03351	1.1
173.04601	1.2
177.03334	4.6
179.03458	0.9
179.04660	9.6
180.98192	1.1
181.05061	2.3
183.06633	1.2
184.11040	1.1
185.05649	1.6
191.01996	2.5
192.07761	0.9
195.06619	6.4
195.15514	1.1
197.05681	1.7
198.99211	3.1
210.08846	9.4
215.05560	2.0
233.06747	2.5
241.00233	16.3
242.00589	3.1
242.07874	1.7
242.99864	1.9
249.06094	2.3
254.07819	11.6
257.00006	0.9
259.01242	3.5
268.71649	0.9
272.08875	20.7
288.06638	7.3
306.07660	96.3
307.07837	7.3
327.07147	1.0
331.12009	6.6
379.10257	1.6
386.32639	0.8
387.16666	1.1
390.05048	3.1
404.15005	3.7
422.07791	28.2
422.12573	6.7
422.24066	1.8
423.09308	29.0
423.18658	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	421.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.6
59.01380	6.4
59.36959	0.4
61.98829	1.7
62.33553	0.4
71.01385	3.1
71.03410	1.1
72.00110	0.4
73.02990	0.6
74.02472	0.5
75.00887	0.6
79.95744	18.2
80.96522	3.4
85.02952	3.1
87.00898	0.8
89.02439	1.3
95.95242	13.0
96.96021	96.4
99.00860	0.7
99.04556	0.4
101.02456	1.9
110.97593	17.0
111.00895	0.6
113.02454	1.0
119.03503	0.6
122.97586	0.5
125.21913	0.4
128.03554	1.2
129.01961	0.9
135.04541	1.1
138.97092	13.2
143.04659	1.8
146.08250	1.1
147.04512	0.8
150.97061	2.1
151.97858	1.0
160.00722	0.8
163.04019	1.2
164.98630	0.6
168.98143	1.7
177.04033	0.9
179.03456	0.9
191.01962	0.8
198.99181	11.5
222.99176	0.7
225.00781	1.5
238.98804	0.5
241.00237	5.9
256.99762	3.6
259.01291	8.1
272.08820	0.6
277.12222	1.8
306.07639	3.0
335.04755	0.4
358.34821	0.5
406.05630	0.6
421.08099	100.0
422.08423	11.6
447.78418	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82760	0.6
55.01855	0.9
57.03448	4.3
59.01378	38.7
61.98832	4.5
64.34428	0.7
67.49617	0.6
71.01381	10.9
71.03340	0.7
71.03669	1.3
72.99303	1.4
73.02960	2.9
75.00861	2.0
79.95740	7.8
80.96508	3.0
82.98892	0.6
83.01386	2.1
83.05031	1.0
84.02164	0.8
85.02955	23.7
85.06583	1.0
87.00889	3.7
87.04517	0.7
89.02460	4.1
95.01378	0.9
95.95238	3.2
96.96021	100.0
97.02947	0.6
98.20560	0.7
98.95647	0.7
99.00908	1.4
99.92587	2.8
101.02461	6.2
103.00371	0.9
107.05065	1.3
110.97591	2.1
111.00911	1.1
113.02479	4.0
115.92098	1.6
116.92864	4.9
119.03525	1.5
119.05054	0.7
120.01243	1.2
122.97603	0.9
125.02505	1.3
127.07695	1.1
127.41559	0.7
129.01947	4.6
135.04546	6.8
137.02544	0.6
138.97060	3.4
143.03561	0.8
143.07213	0.9
147.03081	2.6
150.03281	1.1
150.97160	0.9
152.98680	1.6
155.10878	1.0
161.04683	1.4
167.03542	0.9
168.96394	0.8
171.10396	1.9
176.36351	0.6
177.18375	0.6
179.03513	8.6
179.10867	0.8
180.98215	1.2
191.01987	5.1
195.06845	0.7
196.95969	1.4
197.11954	0.8
198.99310	1.0
199.09772	0.6
199.13429	10.0
199.15106	0.9
200.13774	0.8
205.03616	1.3
209.03186	2.1
215.13057	1.8
221.01447	0.7
222.64601	0.7
222.99271	1.2
223.04758	0.7
223.30498	0.7
240.97890	0.8
241.00220	23.9
257.00012	0.8
272.09042	0.7
289.13385	0.9
306.07919	0.8
335.04883	2.3
355.51596	0.7
359.17517	1.3
361.15271	1.2
377.05939	1.3
377.18179	24.4
378.19269	2.5
379.07553	0.9
403.24103	1.7
421.04968	8.0
421.08298	2.9
421.12445	19.9
421.17044	7.8
421.20920	1.3
421.25412	2.5
422.02441	0.9
422.12708	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	421.0448
Annotation	Carbenicillin sodium
Peak:m/z	Relative Intensity
51.08369	0.3
52.10438	0.3
52.47213	0.3
52.65239	0.3
57.03442	0.5
59.01377	4.7
60.38543	0.3
61.98828	1.1
70.08970	1.3
71.01380	4.1
72.01735	0.3
72.99313	0.8
73.02957	0.8
74.02485	0.3
75.00893	0.9
78.95925	0.7
79.95743	4.6
80.96510	2.6
83.01407	0.6
85.02957	5.0
87.00883	1.3
89.02460	1.8
94.42918	0.3
95.01374	0.5
95.95248	2.4
96.96022	100.0
97.95953	0.4
98.20569	0.3
99.00871	0.6
101.02459	2.3
107.05018	0.6
110.97552	0.5
113.02451	1.3
119.05034	0.8
120.01231	0.3
123.04501	0.3
128.03522	0.5
129.01952	0.5
129.44792	0.3
135.04543	15.7
136.04868	0.9
138.97092	8.5
143.03506	0.5
143.04584	0.6
149.06122	0.4
150.97057	1.0
151.04013	0.9
161.02422	0.8
163.04010	1.5
164.98557	0.8
168.98154	0.9
177.04062	0.5
177.05560	0.7
179.03493	3.1
180.98083	1.0
191.01918	0.9
198.99162	1.1
208.57518	0.4
209.02953	1.2
222.99178	1.7
225.00751	0.6
241.00232	38.9
242.00429	1.4
245.86896	0.3
259.01154	0.6
267.07135	0.5
307.07895	0.6
323.13226	0.3
341.08606	1.4
377.01089	0.6
377.05469	9.3
378.05515	1.0
393.04810	0.5
420.19193	0.6
421.04099	36.7
421.19598	1.3
422.04321	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	421.0447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80354	0.2
55.01878	0.5
57.03451	2.1
59.01379	9.8
59.92044	0.2
61.98830	0.6
68.99780	0.3
69.03452	1.4
71.01385	3.5
71.72635	0.4
72.99308	0.8
73.02952	1.6
75.00883	3.2
79.95740	3.6
80.96529	1.9
83.01392	0.7
83.05015	0.2
85.02959	5.6
87.00901	0.9
89.02458	1.5
89.69524	0.2
93.03490	0.6
94.98093	0.6
95.01411	0.5
95.95251	0.8
96.96021	97.3
97.95959	0.5
98.95603	1.0
99.00893	0.9
99.04521	0.7
101.02452	2.9
101.06084	0.8
107.05021	0.7
108.02184	0.6
109.02921	0.3
111.00885	0.4
113.02463	2.3
115.00386	0.3
115.07671	0.2
117.01929	0.3
119.03510	0.7
119.05025	0.5
120.01250	0.6
121.02956	0.5
122.03769	0.5
122.97610	0.7
123.04546	1.2
125.02440	0.6
125.09727	0.9
126.65343	0.2
129.02002	1.1
131.03474	0.3
132.03055	0.2
134.03725	0.6
135.04529	2.8
137.02426	0.4
137.09743	0.3
138.05624	0.4
138.97081	1.8
139.00313	0.3
143.03539	0.5
147.03087	0.4
149.02406	1.0
150.03258	3.3
150.97076	0.7
151.04025	0.4
152.01204	1.0
152.98660	5.4
154.99843	0.3
155.10797	0.5
161.02448	1.0
161.04594	0.4
163.07637	0.2
164.04805	0.3
164.98656	0.2
165.01929	0.3
165.04297	0.4
165.05574	3.7
167.03511	3.1
169.08636	0.4
171.10275	1.6
173.00922	0.6
179.03497	3.0
180.04172	0.6
180.98158	2.4
181.05029	0.3
183.10265	0.3
191.02072	1.1
193.05112	0.2
194.02017	0.3
195.06648	2.1
198.99115	0.4
199.09761	5.7
209.04495	0.6
211.09718	0.3
211.57394	0.2
215.09338	0.2
217.10863	0.5
225.04028	1.7
239.05699	0.3
241.00227	100.0
242.00529	3.9
249.06052	1.3
256.07233	0.4
259.11838	0.4
261.01053	0.3
267.07098	0.7
273.07599	0.2
273.16953	0.5
277.12918	0.4
315.08786	1.0
361.14835	0.5
363.10898	1.2
373.12817	0.3
385.11746	0.4
421.04434	6.3
421.11688	6.4
421.16986	3.9
421.24738	0.5
422.04080	0.4
422.12601	1.1
422.17206	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	2.0
62.48101	0.3
66.54214	0.4
69.12024	0.4
70.83747	1.4
71.01379	3.2
72.99290	0.4
75.00881	0.7
77.39387	0.3
79.95267	0.7
79.95741	12.3
80.96515	2.3
83.01379	0.6
85.02939	1.7
89.02451	0.5
92.68758	0.4
95.95242	19.7
96.50109	0.3
96.96020	100.0
101.02455	1.2
110.97597	9.2
113.02496	0.3
122.97576	1.0
128.03517	0.6
129.01921	0.6
135.04547	1.4
138.97083	10.3
143.04602	0.8
150.97092	3.0
151.97870	1.6
152.98643	0.8
162.10493	0.3
163.04031	1.0
164.04816	0.6
164.98671	0.5
168.98106	2.0
177.04065	4.1
179.03517	1.3
180.98074	0.8
194.99693	0.7
198.99187	10.8
199.94479	0.3
213.00792	1.0
222.99203	0.8
225.00790	1.5
241.00214	4.7
256.99716	4.5
259.01248	8.9
306.07639	1.2
377.05106	0.6
406.05634	1.1
421.08112	92.9
422.08438	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	420.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01831	0.5
55.78115	0.4
57.03388	1.4
58.02922	10.9
58.03227	0.6
59.01324	7.7
61.98768	2.6
69.57671	0.8
69.58081	2.9
71.01378	2.5
72.00905	4.0
72.99280	0.8
73.02892	1.1
73.04073	6.4
74.02421	0.6
75.00842	0.7
78.95872	1.1
79.95718	0.9
80.96458	0.6
82.06577	0.8
83.02435	0.5
85.02958	11.7
87.00830	1.0
89.02422	0.8
91.05552	2.6
93.03404	0.4
95.95191	0.9
96.96021	13.7
97.02935	0.5
97.04033	0.8
98.02489	3.4
98.20609	0.7
98.95557	1.0
99.00836	0.7
101.02415	1.0
108.08134	1.6
109.31190	0.4
111.00869	0.5
111.04387	0.6
112.07642	1.1
113.02397	1.4
115.05160	5.6
116.03515	0.9
118.06598	0.6
119.04988	0.5
126.09212	0.9
129.01881	1.5
129.10356	14.4
130.12259	0.5
135.04521	0.7
139.08728	0.9
141.10297	1.8
143.11859	1.4
147.03011	1.1
147.04541	17.5
148.04822	1.0
151.08714	1.7
152.06027	0.7
152.07193	10.3
153.05368	0.6
155.08206	1.3
160.04018	1.0
164.07188	42.4
165.07408	2.0
168.11440	15.7
169.09814	1.3
169.11732	0.7
183.11339	0.6
186.12497	35.7
187.12758	1.8
191.02002	4.0
196.09717	1.4
210.12479	23.0
211.10796	3.5
211.12762	1.1
213.12346	0.4
214.09650	0.5
221.94652	0.5
228.13573	3.3
233.16600	9.8
234.16876	1.2
241.00044	1.1
259.14529	0.9
277.15536	7.4
290.18723	9.3
291.19125	0.7
332.19891	4.0
376.18771	100.0
377.19131	11.7
402.20297	0.9
420.14124	2.3
420.21402	22.4
420.64404	0.6
421.11609	1.7
421.16013	1.7
421.21957	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	419.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67716	0.7
55.01874	6.6
55.36226	0.7
57.03455	6.4
58.00585	1.5
59.01378	37.1
61.98825	0.8
69.03468	0.9
69.61979	5.8
71.01383	58.9
71.08215	0.8
72.01751	0.8
72.99305	2.2
73.02946	18.3
75.00885	1.4
83.01382	9.4
85.02956	30.8
86.03315	1.0
87.00875	2.7
89.02457	12.3
95.01400	5.0
96.96026	16.5
97.02919	0.7
99.00886	7.9
101.02454	52.4
102.02768	1.0
113.01705	1.6
113.02464	21.5
119.03526	4.6
125.02431	1.8
129.01941	1.9
133.03009	0.8
137.09729	0.9
138.97067	0.9
139.07660	1.7
143.03516	1.8
153.09218	1.6
155.10808	9.5
159.03047	4.1
159.04099	0.7
161.04584	17.0
177.01947	9.5
178.02238	1.1
191.01944	2.5
195.13823	1.3
209.02995	2.1
213.14970	18.7
241.00172	4.8
256.99521	1.1
339.07053	2.1
357.19229	1.0
375.20294	2.4
419.03326	6.5
419.19217	100.0
420.03766	1.0
420.19565	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	419.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46502	0.6
55.01862	2.5
57.03447	5.2
58.00580	2.9
59.01379	64.0
60.01708	1.1
60.99272	0.7
61.98835	3.9
69.03419	0.7
70.89270	1.1
70.89628	2.1
71.01383	47.4
72.01718	1.0
72.99315	3.7
73.02946	6.9
75.00871	1.8
79.95729	1.2
81.03473	0.6
83.01395	5.9
85.02959	33.3
86.03301	1.4
87.00883	2.1
89.02452	34.4
95.01408	3.4
96.96022	13.6
98.95612	2.2
98.96473	0.8
99.00880	2.8
101.02451	39.1
109.02922	1.0
110.97563	0.7
111.00867	1.0
113.01709	1.3
113.02460	18.0
114.02813	1.0
119.03514	16.6
119.04937	0.7
120.01298	0.8
125.02492	0.8
125.06129	0.9
129.01953	2.0
131.03477	1.3
136.01736	0.8
143.03511	1.8
147.03023	1.8
149.04572	1.0
150.97092	0.8
155.10786	0.9
159.03062	1.0
159.87733	0.9
161.04552	4.5
177.01941	1.2
179.05659	0.9
191.02003	5.0
195.13878	1.3
209.02933	3.8
213.14970	1.7
223.04700	0.8
241.00229	1.7
249.06204	0.9
260.20673	0.6
267.07300	0.8
300.09863	1.0
306.07712	1.9
333.06949	3.1
375.08072	1.2
419.07071	3.5
419.12561	6.4
419.19223	100.0
420.14496	1.2
420.19547	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	420.151
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55211	0.6
55.01880	1.8
57.03455	7.3
58.00587	1.0
59.01381	27.5
61.98836	4.7
62.16410	0.5
63.23564	0.5
67.01878	1.0
68.99802	2.7
69.03455	2.5
69.61600	1.2
69.62001	4.4
70.75124	0.5
71.01388	22.2
71.04969	0.5
72.99317	5.4
73.02956	3.7
74.02499	0.5
75.00456	0.8
75.00883	14.6
79.95745	9.8
80.96534	2.9
81.03466	1.2
83.01392	3.1
84.02180	0.5
85.02959	23.3
86.03305	1.4
87.00889	6.5
89.02462	5.2
91.04071	0.6
93.03475	1.9
95.01393	5.3
95.95244	8.8
96.96024	100.0
97.03005	0.8
98.03731	0.7
98.95615	1.3
99.00893	9.4
99.04534	4.5
101.02456	5.3
103.00389	1.7
109.02969	0.7
110.97598	2.6
111.00884	1.7
111.04505	0.8
113.02473	21.2
114.02805	0.6
115.00404	1.7
115.04020	1.3
117.01965	2.0
119.03513	1.2
119.05058	1.0
120.01274	1.0
120.99664	1.0
125.02506	1.3
127.07703	0.9
128.07196	87.5
129.01991	3.2
129.07550	3.0
134.03322	0.7
135.04552	2.4
138.97086	6.9
141.09215	0.9
143.03542	1.0
143.04599	0.6
143.10812	0.6
146.03690	3.1
147.03040	0.7
149.02519	0.8
150.03192	1.4
150.97070	2.0
151.04091	0.6
155.07181	0.6
157.01424	0.7
158.84593	0.6
159.03032	0.6
161.04536	2.2
161.05978	1.1
163.04005	0.9
164.04726	0.8
164.98622	0.7
165.05589	0.8
168.98064	0.7
170.08250	42.0
171.08665	1.6
175.02484	2.4
177.01962	1.9
177.04057	3.7
178.02336	1.0
179.03520	3.0
179.07204	1.7
179.10789	0.8
180.98134	0.9
189.04033	1.1
191.02034	1.4
192.02402	0.8
195.05054	1.7
195.06659	0.8
198.99228	3.0
225.00526	1.0
231.05052	4.9
241.00243	34.8
242.00737	1.4
249.06157	77.7
250.06528	5.1
256.97372	1.0
256.99762	11.8
259.01279	2.1
259.15521	0.6
267.07278	4.6
272.09042	0.8
276.10718	1.0
315.03958	0.8
329.05371	1.2
335.04355	1.1
341.08774	1.6
343.07104	3.3
357.08524	0.6
361.14877	1.2
377.05322	1.3
377.12927	1.0
402.14017	1.0
420.06140	2.1
420.15085	77.7
421.08072	34.4
421.15280	7.8
421.20776	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	417.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01709	1.0
61.98831	13.6
69.03458	0.6
71.01380	3.3
71.30573	0.7
71.30919	0.9
72.99320	0.9
73.02947	1.0
74.02454	0.6
75.00883	1.9
78.95909	0.7
79.95767	1.5
85.02958	4.9
87.00896	1.5
88.98816	2.8
95.01392	0.6
95.95264	1.8
96.96023	13.4
98.95641	1.0
99.00906	1.5
101.02493	0.6
108.97915	0.6
111.00871	0.8
113.02500	2.5
120.01271	12.0
120.99636	0.6
121.02929	0.6
129.01990	1.2
131.30237	0.5
147.03006	0.7
159.97371	1.0
167.10799	2.9
168.11227	0.7
191.02110	0.7
197.01259	0.5
227.03555	1.0
241.00272	0.9
245.19453	0.5
249.06221	2.0
255.03036	1.0
267.07126	2.8
267.98514	0.6
280.26740	0.4
284.03412	0.7
285.04083	0.7
292.14108	0.6
329.97708	0.6
355.17206	0.6
416.67645	0.9
417.12701	1.8
417.18152	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	417.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.7
55.03153	0.2
57.03444	0.8
59.01377	100.0
60.01717	1.5
61.98838	0.9
71.01385	6.4
71.73809	0.4
72.99311	0.8
73.02945	2.3
75.00880	0.6
78.95924	0.4
79.95725	1.3
80.96512	0.4
83.01392	1.2
85.02956	5.2
86.03306	0.4
87.00880	0.5
89.02441	1.7
95.01389	0.3
95.95242	0.8
96.96020	18.7
98.95622	0.6
99.00919	1.0
101.02462	4.5
108.97865	0.5
113.02458	2.7
113.92648	0.4
119.03533	0.3
120.01283	0.4
120.99720	0.4
121.02965	0.4
122.10149	0.3
123.08275	0.3
129.01978	0.5
130.08768	0.3
138.89182	0.3
138.97028	0.4
143.03525	0.4
147.03014	0.4
151.00336	0.3
159.03038	0.4
161.04596	2.3
165.12903	0.3
168.36305	0.3
181.05072	0.3
181.12303	0.6
183.13855	0.8
191.02032	0.6
227.12830	1.2
241.00204	1.0
241.18011	0.4
255.02942	0.6
284.03259	0.6
285.03900	0.8
285.17264	0.5
319.16269	0.3
351.14780	0.5
375.23978	4.3
376.24036	0.4
416.64807	0.3
416.70383	0.5
417.12161	10.5
417.24667	0.9
418.12604	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	418.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05870	0.6
54.06165	0.6
59.01383	3.0
61.98820	2.5
65.12384	0.6
69.54319	1.8
69.54744	3.4
71.00997	1.1
71.01382	15.7
78.95894	2.6
79.73940	0.6
96.96019	0.8
98.19828	1.1
98.77509	0.6
99.99563	0.6
100.00211	0.6
101.27438	0.6
112.04008	1.0
121.14626	0.5
129.59686	0.6
140.07191	31.6
141.07549	0.7
146.96556	1.0
152.99579	5.6
158.08247	6.1
180.20724	0.6
241.66920	0.6
251.20201	0.8
272.79819	0.6
277.21710	100.0
278.22049	9.8
357.29147	0.7
357.33713	0.6
387.33112	0.7
394.77725	0.7
418.29376	1.6
419.20889	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	419.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.8
59.01377	87.9
60.01712	1.4
61.98831	1.1
69.45161	3.6
71.01389	1.5
72.02207	0.4
73.02949	1.1
75.00862	0.4
79.95737	1.9
83.01381	0.5
85.02950	4.8
87.00892	0.5
88.94495	0.4
89.02464	1.0
93.03468	0.5
95.95245	1.2
96.95375	0.6
96.96019	13.1
97.06598	0.8
98.95612	0.4
99.04532	2.5
101.02459	0.9
109.06606	0.5
111.08135	0.5
113.02449	0.8
129.01955	0.9
131.03532	0.7
138.97092	0.4
147.02994	0.6
149.04477	1.9
151.62651	0.4
161.04562	0.4
165.12881	1.8
167.10814	0.7
177.04022	0.4
181.05130	0.5
183.13823	0.5
191.01968	1.4
200.00674	0.4
207.13927	3.0
209.11839	8.3
210.12189	0.7
225.14943	4.8
226.15405	0.7
227.12886	40.5
228.13182	3.1
235.66884	0.4
241.00307	1.7
247.50020	0.4
251.12868	1.3
256.99777	0.9
258.00012	0.6
269.13931	9.6
270.14313	1.2
287.14981	100.0
288.15311	8.3
317.16089	0.5
359.17099	0.9
419.10593	4.0
419.19153	32.2
420.19376	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	419.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.7
55.22954	0.6
57.03444	2.9
58.00594	0.6
59.01378	48.9
61.61298	0.5
61.98826	6.2
70.10286	2.6
71.01385	8.4
72.99300	1.2
73.02940	2.0
75.00871	2.0
78.95903	0.9
79.95737	1.4
80.96558	0.6
83.01366	1.3
85.02956	9.4
87.00874	2.0
87.13695	0.5
89.02457	6.0
90.98631	0.7
95.01386	1.6
95.05040	1.7
95.95260	1.0
96.96019	24.9
96.96997	1.2
99.00895	0.9
101.02454	6.1
109.02976	0.6
109.06598	0.7
113.02459	8.3
115.00452	0.7
119.03531	3.7
120.01250	0.7
121.06560	0.5
125.09735	1.1
129.01962	0.8
132.04514	1.1
134.04765	0.7
137.09746	17.9
138.10101	0.7
138.97089	1.1
143.03572	0.9
143.07115	0.8
147.03090	1.1
150.03145	0.5
151.07645	0.7
151.11308	0.8
153.01967	0.6
153.09265	0.5
153.12862	7.6
160.04079	1.5
161.04568	2.5
169.08694	0.5
171.10312	2.1
175.02448	0.6
175.03987	0.5
177.05574	0.5
179.05692	0.8
179.10739	1.4
183.49471	0.5
191.02019	2.1
192.06664	1.6
197.11839	100.0
198.05641	2.9
198.12190	7.2
204.02901	0.6
209.02943	0.5
209.04698	0.6
211.13420	4.0
212.10748	1.0
212.13820	0.6
215.09248	5.2
221.11769	3.0
226.05054	0.7
227.05869	1.2
228.05379	4.8
236.05649	1.8
239.12854	4.0
241.00235	1.7
242.75969	0.5
243.07741	3.1
244.08003	0.5
251.12854	0.8
255.11298	0.6
256.09860	1.0
256.99738	0.6
257.09799	0.5
266.06964	2.6
267.07126	1.4
269.13910	1.1
271.10916	1.5
281.09406	2.3
287.14865	0.7
291.05225	0.8
299.10370	10.3
300.10699	1.1
311.10153	1.0
343.09241	1.7
359.17044	3.1
387.08365	1.1
419.06281	2.1
419.10693	5.9
419.14246	0.6
419.18829	2.9
420.10556	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68197	0.3
55.01873	0.6
56.65978	0.2
57.03444	0.7
57.91585	0.3
59.01378	59.2
60.01714	1.0
61.98828	0.4
62.85251	0.2
63.50920	0.3
69.03467	0.3
71.01379	2.4
71.72918	0.4
72.99311	0.5
73.02949	1.9
79.95742	4.5
80.96521	2.2
83.01414	0.7
85.02952	2.7
87.00866	0.5
93.97335	0.3
95.95241	2.4
96.96023	70.6
98.20111	0.4
98.95603	2.7
98.96459	0.8
99.00877	0.5
101.02436	1.5
103.00388	1.5
113.02440	0.6
120.01281	0.3
120.99645	0.4
122.97574	1.4
125.02436	0.4
129.01924	0.4
131.03485	0.7
138.97093	1.3
139.11359	0.5
150.97107	2.5
151.00465	0.3
155.10828	2.3
163.00365	0.3
163.11290	0.5
164.98665	0.5
166.02756	0.6
177.04008	0.6
179.07196	0.3
180.98125	1.0
181.05118	0.8
181.12357	100.0
182.12680	6.4
183.10257	0.6
191.02065	0.3
192.22952	0.3
199.09795	2.2
200.34451	0.3
211.24228	0.3
225.11328	19.8
226.11649	1.3
227.03516	5.9
227.12767	0.7
228.03772	0.4
229.05040	0.5
241.00243	3.3
243.12329	2.0
243.70409	0.3
244.12706	0.3
255.02965	8.5
256.03519	1.2
256.99741	2.4
269.13928	0.8
281.37918	0.3
284.03256	7.8
284.71472	0.3
285.04080	6.6
285.13428	24.8
286.04306	0.5
286.13733	2.1
287.14972	0.9
304.84875	0.4
313.16483	2.3
319.91150	0.3
331.13904	0.4
343.06992	2.5
357.15475	0.9
358.15521	0.4
387.10471	0.4
416.98212	53.6
417.07541	6.7
417.17435	18.7
417.98477	5.5
418.08746	1.4
418.17746	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64070	0.2
55.01857	0.2
57.03445	0.2
59.01096	0.3
59.01379	5.3
61.98820	0.2
64.46205	0.2
71.01384	1.7
72.99318	0.4
73.02950	0.9
75.00883	0.4
79.95742	6.4
80.96520	1.6
83.01399	0.4
85.02962	1.7
87.00884	0.6
89.02455	0.4
95.95243	4.4
96.96021	100.0
97.02948	0.2
97.95986	0.2
98.20657	0.3
98.95616	0.4
99.00877	0.4
101.02465	0.9
113.02460	0.6
122.97604	0.6
129.01909	0.2
133.03008	0.2
138.97090	4.4
138.98163	0.3
141.95805	0.4
143.03467	0.2
150.97115	0.8
151.11288	0.2
152.98708	0.4
159.28862	0.1
161.04581	0.2
164.98654	0.4
168.98131	0.6
175.07666	0.4
176.98285	0.2
180.98094	0.4
181.12340	1.8
195.10208	0.4
209.11841	0.3
222.99223	0.6
225.00740	1.9
225.11310	0.5
227.03549	0.5
227.12927	0.8
241.00233	12.2
242.00433	0.4
255.02994	0.7
269.13889	1.0
284.03241	0.5
285.04071	1.0
285.13474	0.5
287.14957	2.1
329.05325	0.4
417.08594	53.9
417.17413	1.3
418.08929	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19783	0.9
55.01873	3.3
57.03450	11.4
58.00585	1.1
58.98478	0.9
59.01378	100.0
60.01706	1.6
60.97537	1.0
61.98832	40.6
63.96244	1.4
65.94623	0.8
69.03423	0.8
71.01385	54.1
72.99322	3.5
73.02949	15.4
73.20148	0.8
74.99103	1.3
75.00881	2.7
76.97031	1.4
78.44807	0.8
79.95741	7.8
80.96542	1.8
83.01398	5.8
83.05027	1.3
85.02957	34.5
86.03327	1.8
87.00906	4.0
89.02462	8.1
90.98622	1.7
95.01405	5.0
95.95245	4.2
96.96021	76.6
97.02952	1.8
98.95620	2.2
99.00874	8.0
99.04532	4.8
101.02457	34.7
108.97877	8.7
110.97593	21.0
111.00908	1.9
111.04527	8.7
111.08178	2.3
113.02460	24.2
115.92106	1.6
119.03532	1.0
120.01250	1.7
120.99648	7.4
123.08249	1.0
125.02460	2.6
128.03555	1.0
129.01952	3.1
134.03778	1.7
136.99144	2.2
138.97058	1.7
139.06615	2.1
139.07671	34.6
140.07965	1.1
143.03525	3.7
147.03056	1.3
149.04543	1.2
150.97043	2.3
159.03015	5.5
160.01692	1.9
161.04578	69.6
161.07167	7.3
162.04909	1.6
167.03474	1.3
175.04010	2.6
180.98126	1.5
191.01997	4.1
195.06595	0.9
195.10258	7.6
196.99460	2.7
204.07750	5.6
205.03574	3.1
208.94051	0.8
219.06625	2.0
225.00777	1.9
230.09303	1.9
241.00284	5.8
245.84013	0.9
249.06142	2.2
255.00044	0.9
267.07199	1.2
270.99493	3.1
272.10767	0.8
335.45502	0.9
338.13562	11.4
339.13544	1.2
357.08566	3.8
357.15512	29.7
358.15881	2.9
373.10080	1.0
381.14194	1.5
417.10141	51.9
418.05441	0.8
418.10611	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	417.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63268	0.5
55.01865	1.0
57.03436	2.0
58.03817	0.5
59.01379	18.0
61.98831	0.8
67.92036	0.5
69.74586	1.1
69.74992	2.5
71.01376	3.2
72.99310	0.8
73.02950	1.2
75.00846	0.7
79.95742	5.3
80.13464	0.5
80.96528	3.1
83.01408	1.8
83.31095	0.5
85.02441	0.9
85.02959	15.8
86.03300	1.6
87.00891	0.8
95.95255	0.8
96.96021	93.9
97.95961	0.7
99.12640	0.5
101.02441	2.4
101.36720	0.5
102.73157	0.6
103.00388	8.3
111.00890	2.3
113.02457	1.2
114.96246	0.5
121.02998	0.6
125.02453	1.0
128.24995	0.5
129.01952	2.0
136.01654	1.5
138.97075	1.0
143.03523	0.9
143.24451	0.5
147.03067	1.1
149.02470	2.8
150.03241	3.9
150.97060	0.7
151.04089	3.2
152.98671	1.0
154.31442	0.5
164.04774	0.9
164.98657	5.6
165.05560	7.2
173.00893	0.6
180.98109	2.7
191.01923	3.0
192.02467	0.6
193.02388	0.6
195.06638	1.5
205.03441	1.0
209.03004	1.4
211.06119	2.7
241.00255	7.3
313.05856	1.7
327.29236	0.5
331.07047	100.0
332.07336	6.2
373.08099	44.3
374.08365	3.7
399.05960	1.8
417.06967	34.8
418.07254	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	417.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18382	0.3
59.01379	2.7
59.28391	0.3
65.00336	0.3
69.79020	2.4
73.02932	0.6
79.95739	0.9
83.01372	0.6
85.02959	0.8
88.98805	0.8
93.03458	0.5
93.87815	0.3
95.95230	0.7
96.96021	22.4
98.95589	1.2
101.02474	0.5
107.01411	0.5
120.92242	0.3
122.97624	0.4
125.02501	0.5
137.02431	1.2
151.00406	3.5
153.01878	0.4
160.22125	0.3
162.02208	0.4
163.00354	0.6
166.02725	3.7
167.03508	0.4
174.03426	0.4
181.05093	5.4
181.12358	1.5
183.04536	1.2
197.15417	0.8
199.03973	0.5
211.03986	1.9
213.05583	0.6
227.03494	65.6
228.03850	5.1
229.04993	1.4
239.03520	0.4
241.00189	1.1
241.14496	0.5
255.02971	86.3
256.03534	12.6
256.99792	0.8
257.04462	1.0
283.02518	0.5
283.15585	0.6
284.03250	81.1
285.03961	28.4
285.13416	0.4
286.04355	1.8
327.05002	0.5
387.10681	0.9
416.98883	16.7
417.08255	100.0
417.16025	3.5
417.98627	1.4
418.08563	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0828
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
50.42580	0.4
54.42366	0.4
59.01378	2.6
59.27098	0.3
60.30252	0.5
65.00334	0.6
65.38975	0.3
69.67404	1.0
69.67802	2.0
71.89348	0.4
76.72944	0.3
79.95723	0.9
83.01385	0.6
93.03450	1.2
95.95249	0.6
96.96021	12.5
98.95592	1.0
107.01399	1.0
125.02483	0.5
132.02167	0.8
135.00879	1.1
143.05048	0.7
145.03017	0.4
150.40128	0.4
151.00365	1.7
152.61263	0.4
159.04446	0.6
161.96861	0.4
163.00410	1.7
167.05000	0.5
171.81256	0.4
174.03171	0.3
174.13695	0.4
181.12325	0.9
182.03651	0.4
183.04523	1.4
183.36145	0.4
185.06107	1.5
187.04022	1.9
189.05533	0.6
192.75819	0.3
195.04497	0.6
198.03104	0.4
199.03960	0.7
211.04005	3.0
213.05530	1.0
227.03494	72.7
228.03847	5.9
229.05043	6.6
239.03500	1.1
240.04109	0.4
241.00240	1.0
241.05037	0.8
255.02966	100.0
256.03497	14.1
256.99783	1.0
257.04465	3.7
269.04819	0.4
283.02487	0.6
284.03250	84.4
285.04001	79.1
286.04391	6.9
327.04971	0.5
416.98276	8.0
417.08270	76.4
417.98938	0.8
418.08618	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.0837
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11142	0.2
55.01864	0.3
57.03446	0.9
57.71473	0.3
59.01382	5.8
61.98831	100.0
63.96255	1.4
65.28796	0.3
69.03444	0.3
71.01386	2.3
71.72655	0.4
72.99269	0.3
73.02969	0.6
75.00862	0.3
76.33082	0.2
76.97047	1.1
79.95750	1.6
83.01396	0.3
85.02965	3.5
87.00909	0.6
89.02454	1.1
90.98627	0.2
96.96027	6.1
96.96593	0.5
98.95626	0.4
101.02474	1.1
108.97890	9.3
110.02493	0.7
111.00907	0.4
113.02505	0.7
115.00358	0.3
116.05083	0.6
119.03503	0.4
120.01276	0.6
120.99680	1.1
121.02981	0.3
129.01985	0.5
134.03809	0.4
140.35005	0.3
147.03026	0.5
149.04672	0.3
160.01616	1.4
161.04636	0.7
171.48047	0.3
175.02614	0.4
175.03996	2.5
178.98463	0.3
181.05177	0.4
191.01971	0.8
193.05077	1.1
196.99519	0.8
209.03081	0.4
210.01535	0.4
219.06606	3.0
241.00320	0.7
255.00040	0.3
314.29050	0.3
327.13025	0.3
336.10873	0.5
357.15695	0.9
416.07019	1.3
416.13171	1.5
417.13788	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	417.0322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.8
57.03439	2.4
58.00600	0.6
59.01379	62.2
60.14996	0.5
60.79117	0.5
60.97533	3.3
60.99312	0.5
61.98831	24.9
62.52921	0.5
63.96240	13.1
63.99240	0.5
64.00401	0.6
65.93002	0.4
69.03474	0.6
69.43402	5.8
71.01386	18.2
72.99320	1.5
73.02955	4.3
75.00861	0.9
76.97028	11.1
79.95741	13.1
80.96521	1.9
83.01401	1.5
84.08624	0.6
85.02957	10.4
87.00880	3.8
89.02449	14.3
90.98595	1.4
92.94756	1.5
95.01414	0.8
95.87893	0.5
95.95237	0.6
96.96020	15.1
98.95609	1.2
98.96301	0.5
99.00896	1.6
101.02454	11.1
102.98666	0.6
108.97888	100.0
109.98270	0.6
112.15502	0.5
112.57408	0.6
113.02462	7.1
117.03470	0.5
119.03523	5.8
120.01250	1.0
120.99668	2.8
121.02997	0.5
122.99302	0.5
129.02002	0.6
131.03513	0.6
132.02182	1.6
134.03748	6.7
137.02443	0.6
143.03537	1.8
149.04529	0.7
149.06126	1.2
159.03033	1.0
160.01672	15.1
161.01987	0.6
161.04568	12.4
166.02731	1.4
175.04012	28.5
176.04395	2.3
177.09213	3.4
178.02788	1.4
178.98413	5.2
179.05658	4.1
181.05075	1.5
191.02014	1.8
193.05070	7.9
195.10249	1.2
196.99469	6.0
199.09695	0.7
205.03419	0.7
209.03070	0.9
219.06628	27.4
220.07027	2.0
241.00284	1.0
249.20410	0.6
254.99991	1.8
259.29822	0.6
269.13873	0.6
285.13388	0.8
357.15540	16.4
358.15854	1.7
417.13950	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	417.0321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.4
56.98039	0.9
57.03448	3.9
59.01381	43.2
60.97523	2.0
61.98844	4.2
62.99088	0.9
63.96239	7.6
71.01388	13.3
72.99323	2.1
73.02958	4.8
74.02477	1.2
75.00891	1.1
76.97031	7.0
79.95743	10.8
80.96503	1.4
81.27508	0.8
83.05022	0.9
84.04520	0.9
85.02962	16.3
86.03262	1.1
87.00885	15.2
88.04038	1.0
89.02460	7.8
90.98591	6.9
95.01387	1.1
95.95254	1.0
96.96025	30.4
97.02971	1.0
98.95613	3.6
99.00915	2.3
101.02467	9.1
102.98598	0.8
108.97889	100.0
109.02908	1.1
109.98273	1.0
111.00889	1.4
111.04478	1.0
113.02484	5.5
113.12074	0.9
118.98109	1.4
119.03506	3.0
119.04980	1.1
120.01238	2.5
120.99673	12.0
123.04555	1.0
125.02489	1.1
129.01991	2.7
131.03575	0.9
132.02156	0.9
134.03748	3.8
137.02467	1.2
138.97066	1.1
145.02943	1.5
145.22702	0.8
147.03003	1.7
149.04556	2.7
151.00417	1.9
160.01645	7.9
161.04585	5.7
166.02695	4.3
175.04015	13.1
176.04398	1.3
177.09190	1.8
177.12997	0.8
178.98428	0.9
179.05608	2.0
179.67622	0.8
181.05107	4.9
191.02048	3.9
193.05090	1.8
195.10211	1.3
196.99492	74.6
197.99719	3.2
211.09970	0.9
219.06619	8.4
222.97440	1.3
223.13541	1.2
240.98367	2.6
241.00304	2.5
255.00006	5.5
269.13977	0.8
285.13397	2.6
292.10608	1.0
357.15536	8.3
375.16019	1.3
387.10580	1.6
402.12915	1.1
417.08405	1.6
417.13193	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00450	0.1
55.01868	0.6
56.07817	0.2
57.03447	1.0
58.00602	0.3
59.01378	100.0
60.01710	1.2
61.98838	0.3
69.96646	0.9
71.01385	6.6
72.01743	0.2
72.73302	0.2
72.99316	0.6
73.02950	2.5
74.03264	0.1
75.00873	0.5
76.20508	0.1
78.95908	0.2
79.95737	1.1
80.96513	0.4
83.01376	1.0
84.02209	0.2
85.02959	8.4
86.00147	0.2
86.03316	0.2
87.00871	1.0
88.04034	0.2
89.02446	1.4
94.66489	0.2
95.01425	0.3
95.95251	0.6
96.96021	23.2
97.03004	0.3
98.95599	1.3
99.00876	0.8
99.04553	0.2
101.02457	5.0
102.02729	0.2
111.00879	0.4
113.02466	2.8
119.03526	0.5
122.97608	0.5
125.02506	0.2
129.01974	0.5
138.97105	0.7
143.03545	0.3
145.09831	0.2
147.03012	0.6
150.97113	0.3
157.08716	0.4
159.03008	0.3
161.04549	1.8
179.05627	0.2
180.98108	0.5
191.01994	1.7
198.99248	0.3
209.03032	0.7
241.00177	1.4
283.15344	0.4
373.22314	6.3
374.22577	0.6
414.65536	0.8
415.16391	23.1
415.64755	0.2
416.16736	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	415.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.4
57.25247	0.3
59.01377	100.0
60.01719	0.8
61.98829	0.4
66.37245	0.2
70.57346	0.9
70.57698	0.4
70.95366	0.3
78.47344	0.3
85.02945	2.1
94.16019	0.3
95.45116	0.3
143.04605	0.3
191.02060	0.6
209.03128	0.6
233.91080	0.4
279.23456	0.8
378.14926	0.3
390.16391	0.3
415.15677	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.3
59.01361	0.4
60.48968	0.3
61.98808	0.6
66.60580	0.3
70.57281	0.7
70.57671	0.8
71.01394	0.6
72.99308	12.9
73.02951	7.2
75.00877	80.8
76.01213	0.9
82.52539	0.3
85.02953	0.6
87.14863	0.3
93.42246	0.4
98.19881	0.3
109.62250	0.3
113.39397	0.3
116.17729	0.3
119.29912	0.3
146.09064	0.4
156.86833	0.3
196.66472	0.4
226.84296	0.4
295.30066	0.7
321.31635	0.4
323.33191	1.1
386.39136	0.3
415.34277	100.0
416.34613	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	415.234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89592	0.2
55.01881	0.7
57.03451	1.3
59.01379	100.0
60.01710	1.0
61.98835	0.5
71.01387	6.6
72.99293	0.3
73.02957	2.2
75.00889	0.5
78.95909	0.2
79.95760	0.6
80.96529	0.4
83.01396	1.4
85.02957	7.6
85.78024	0.2
87.00884	0.9
89.02477	1.4
95.01431	0.4
95.14514	0.2
96.96023	14.9
98.95607	0.7
99.00903	0.9
101.02455	4.6
111.00885	0.4
113.02470	2.6
119.03527	0.5
129.01965	0.8
138.97133	0.6
143.03520	0.2
147.02998	0.6
153.07454	0.2
157.08742	0.5
159.02998	0.5
161.04585	1.9
181.12361	0.3
191.02005	1.4
198.99300	0.2
209.03065	0.8
229.37820	0.2
241.00252	0.9
264.99716	0.2
283.15460	0.3
372.06470	0.2
373.22333	6.2
374.22702	0.7
414.65768	0.8
415.16434	16.6
415.22980	0.7
416.16815	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.3
57.03450	0.8
57.15826	0.2
58.00599	0.2
59.01379	100.0
60.01701	0.9
61.98841	0.8
69.64772	1.4
71.01384	5.4
72.99318	0.4
73.02953	1.7
75.00890	0.5
78.95911	0.2
79.95748	0.7
80.96526	0.4
83.01398	1.0
84.02207	0.2
85.02954	6.6
85.03455	0.4
85.08391	0.2
87.00900	0.6
89.02448	2.3
95.01389	0.3
95.95242	0.3
96.96022	11.0
98.20123	0.6
98.95586	1.0
98.96307	0.1
99.00914	0.6
101.02457	3.5
111.00906	0.2
113.02460	2.5
116.16739	0.2
119.03529	1.4
122.97586	0.2
129.01947	0.5
138.97136	0.4
143.03459	0.3
147.03024	0.3
149.04581	0.2
150.97116	0.3
159.02988	0.2
161.04617	1.3
165.09119	0.2
165.12852	0.3
179.05624	0.5
180.34677	0.2
180.98192	0.2
183.13902	1.3
191.01999	1.3
209.02997	0.5
217.74744	0.2
227.12856	0.2
239.16570	0.3
241.00223	0.4
283.15472	0.5
373.22247	0.9
381.52240	0.2
414.65271	0.3
415.09641	1.0
415.16299	10.2
416.16547	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60110	0.1
55.01877	0.5
57.03447	1.5
58.00598	0.3
59.01380	100.0
60.01715	1.1
61.98833	1.1
68.99810	0.2
69.03444	0.3
71.01387	5.8
71.73050	0.2
72.99313	0.6
73.02955	2.5
74.13818	0.2
75.00877	0.9
75.54076	0.2
78.95930	0.3
79.95751	0.7
80.96549	0.5
83.01381	1.0
83.05071	0.2
84.02182	0.3
85.02959	8.7
86.00107	0.2
86.55458	0.1
87.00899	0.7
89.02447	1.3
95.01423	0.4
95.95242	0.3
96.96025	16.8
98.20376	0.2
98.95611	0.6
99.00889	0.9
99.04545	0.3
101.02457	3.9
111.00919	0.4
113.02457	2.4
119.03545	0.4
120.99664	0.2
122.97601	0.3
129.01987	0.6
131.03575	0.2
138.97063	0.4
139.00203	0.2
143.03610	0.3
143.53607	0.1
145.01494	0.2
147.03029	0.9
149.02509	0.3
150.97119	0.3
159.03070	0.2
160.57228	0.2
161.04567	1.6
161.35030	0.2
164.98689	0.2
180.98286	0.2
185.07217	3.2
186.07584	0.3
186.96123	0.2
191.01974	2.0
198.99277	0.2
203.38094	0.2
207.13953	0.2
209.03003	0.7
225.14975	0.8
239.16670	0.4
241.00217	0.9
242.09370	1.6
267.07327	0.2
267.16022	0.4
283.15601	0.9
284.15726	0.2
327.13043	0.4
328.13831	0.3
329.09143	0.2
330.95651	0.2
341.14233	0.4
355.21262	0.5
371.14880	1.4
373.22305	4.4
374.22495	0.4
409.46426	0.2
414.65555	0.8
415.16473	15.9
415.22501	0.6
416.16974	1.6
417.21216	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.3
57.03431	0.7
58.19375	0.2
59.01378	100.0
60.01724	1.0
69.66794	1.3
69.67220	0.9
71.01387	4.8
72.99318	0.4
73.02945	1.4
75.00871	0.3
79.95739	0.8
80.96516	0.6
83.01418	0.4
85.02956	4.2
87.00919	0.4
89.02453	2.8
95.01438	0.4
95.95264	0.3
96.96021	21.3
98.95621	4.9
98.96442	1.0
101.02458	3.3
112.38952	0.3
113.02445	2.6
113.03016	0.2
119.03533	1.5
135.01479	0.3
136.36267	0.3
138.97104	0.9
143.03577	0.4
147.03043	0.5
150.97112	0.4
156.27353	0.3
160.04182	0.3
161.04599	0.4
165.04114	0.4
179.05701	0.7
191.02049	0.6
209.03212	0.3
209.97574	0.3
223.13409	0.5
223.72980	0.3
241.00227	1.4
241.13135	0.3
309.10464	0.3
415.16260	24.0
416.16483	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	415.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32292	0.3
51.71437	0.3
55.01884	0.6
57.03448	0.8
58.00594	0.5
59.01378	100.0
60.01726	1.1
68.71477	0.3
68.99767	0.3
69.03463	0.8
69.71451	1.9
69.71860	0.5
71.01385	18.2
72.99322	1.3
73.02950	21.9
75.00879	1.0
79.95742	1.5
80.96532	1.1
83.01392	6.1
85.02963	5.0
87.00869	1.8
89.02458	4.7
90.86132	0.3
95.01410	1.0
96.96021	38.3
97.02977	0.6
98.95586	0.4
99.00881	0.8
101.02454	18.7
105.01965	0.7
113.02461	7.9
119.03529	1.4
120.99649	0.7
122.97564	0.7
125.02445	0.9
129.01985	0.9
131.03534	1.9
138.97116	1.2
143.03534	1.1
147.03047	0.7
149.04567	0.7
150.97084	0.4
155.03552	0.5
161.04567	2.5
165.04050	5.1
179.10838	0.5
180.98192	0.6
191.01950	0.6
192.56052	0.3
198.41275	0.3
198.99191	0.4
223.13371	6.7
224.13707	0.7
241.00237	2.3
265.64545	0.4
267.12341	2.2
322.58981	0.4
415.16422	51.0
416.16730	5.8
421.02936	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.5
57.03444	1.5
58.00586	0.3
59.01379	17.5
60.01712	0.5
60.44835	0.2
61.98833	3.9
67.24062	0.2
68.99789	0.2
69.03452	0.3
69.67571	0.2
70.87269	0.2
71.01382	4.3
71.73123	0.4
72.99322	1.0
73.02945	1.4
75.00865	1.2
78.95895	0.3
79.95744	3.6
80.96519	2.6
81.03485	0.3
83.01393	1.0
84.02143	0.2
85.02957	9.4
86.03295	0.4
87.00888	1.2
89.02463	0.9
95.01398	0.3
95.95267	1.1
96.96021	92.0
97.02980	0.3
97.95933	0.5
98.95608	5.9
98.96438	1.0
99.00907	0.6
99.04543	0.4
101.02455	2.4
111.00890	0.4
113.02477	1.5
119.03485	0.2
120.01276	0.5
120.99667	0.5
121.06667	0.3
122.97604	1.0
125.02441	0.3
128.60558	0.2
129.01912	1.2
129.05608	0.2
138.97089	4.7
143.03543	0.4
147.03008	1.4
149.04596	0.3
150.97055	1.3
161.04509	0.8
164.98636	0.9
165.04109	1.3
167.06149	0.2
168.98242	0.3
180.98181	0.9
185.37624	0.2
191.01997	2.9
196.64558	0.2
198.99191	0.4
209.03003	1.2
210.07567	0.3
216.22800	0.2
221.15567	0.3
222.99200	0.9
223.13322	1.9
239.16515	0.7
240.74207	0.2
241.00232	7.5
242.00565	0.4
242.99756	0.3
267.09805	0.4
267.12521	0.6
283.15457	1.2
294.59897	0.3
334.32962	0.2
348.64899	0.4
355.11407	0.7
357.14725	0.2
414.65375	1.1
415.16394	100.0
415.65591	0.2
416.16760	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.6
57.03440	1.0
59.01377	11.2
69.41766	2.6
71.01385	1.7
72.99303	0.6
73.02941	0.6
75.00880	0.4
79.05504	0.3
79.95745	4.3
80.96512	2.1
83.01380	0.5
85.02952	4.9
87.00854	0.4
89.02483	0.4
95.95251	1.2
96.96020	100.0
97.94816	0.4
98.95599	4.5
98.96446	1.1
99.00926	0.4
101.02451	2.1
103.00381	4.6
112.09019	0.3
113.02456	0.6
115.00363	0.3
122.97597	0.9
138.97086	1.9
147.02979	0.4
150.97086	1.2
152.98647	0.4
164.98627	1.7
165.03947	0.3
180.98138	1.4
191.02008	1.5
198.99167	0.8
209.02988	0.7
223.13252	0.4
240.97931	0.4
241.00232	3.8
249.13205	0.3
256.99612	0.6
283.11755	0.3
311.08087	1.5
329.09100	56.9
330.09482	3.6
349.65833	0.3
371.10181	21.8
372.10489	2.1
397.07965	0.6
415.09167	15.7
415.16257	73.9
416.09525	1.8
416.16577	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	415.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	4.6
55.60062	0.5
57.03443	3.6
58.00645	0.5
59.01380	68.4
60.01698	0.6
61.98843	3.7
69.03479	0.6
71.01391	8.5
71.05027	0.9
71.73042	0.5
72.99320	1.9
73.02957	2.4
75.00877	27.5
79.95752	3.3
80.96545	1.0
83.01405	1.7
83.05039	0.6
84.02168	0.7
85.02958	23.9
87.00883	6.9
88.04064	0.8
89.02463	3.8
95.95258	0.6
96.05897	0.5
96.96022	54.0
98.95621	2.5
99.00911	2.4
101.02446	3.8
103.00393	1.6
105.01947	5.8
111.00894	1.6
113.02460	2.0
115.00384	1.2
117.01946	0.8
119.03521	0.6
120.01302	0.7
120.99669	0.8
121.03037	0.7
122.97569	0.7
125.02467	0.7
129.01959	8.0
132.03062	0.5
135.04501	0.5
138.97070	2.2
143.03488	0.6
145.02986	0.7
147.03008	10.3
149.02457	0.7
149.04558	0.7
152.98653	0.6
153.09206	1.5
161.04568	0.6
161.13416	0.7
163.11327	0.8
165.04060	100.0
166.04366	2.7
177.00970	1.0
179.10788	1.5
180.98114	0.6
187.11200	0.6
191.01982	5.9
197.08124	0.6
209.03040	2.5
209.07132	0.6
210.06808	0.6
223.13397	45.9
224.13680	3.8
231.04152	2.5
241.00130	2.9
267.12344	5.6
268.12567	0.8
305.33151	0.7
348.65237	0.8
414.65643	0.8
415.16333	78.3
416.10938	0.8
416.16537	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	415.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24156	0.3
55.01863	0.5
55.82235	0.2
57.03449	1.5
59.01097	0.5
59.01377	7.2
59.64317	0.3
68.41080	0.3
69.53327	2.6
71.01386	2.6
72.99312	0.6
73.02958	1.0
75.00859	0.6
79.05510	0.3
79.95744	3.7
80.96525	1.9
83.01401	0.7
85.02959	6.8
87.00868	0.8
87.04527	0.7
89.02434	0.4
95.95260	1.2
96.96020	86.1
97.02994	0.4
97.95957	0.3
98.95604	2.1
98.96378	0.4
99.00907	0.5
99.04500	0.4
101.02439	1.9
103.00374	1.5
111.00887	0.4
113.02453	0.7
122.97595	0.8
129.01961	0.6
138.97078	2.0
141.29480	0.3
145.03020	0.4
147.03023	0.7
149.04572	0.4
150.97093	1.0
164.98657	0.8
165.04056	0.8
170.22458	0.3
179.26147	0.3
180.98137	1.2
183.18735	0.3
191.01936	1.7
198.99205	0.8
203.10078	0.3
209.03088	0.9
223.13414	0.8
237.14911	0.5
239.12874	0.3
241.00232	4.2
256.99637	0.7
267.12317	0.5
268.57095	0.3
283.11972	0.6
311.08151	0.3
329.09094	18.3
330.09442	1.7
371.10172	7.0
372.10559	0.5
392.96515	0.3
397.08084	0.3
415.16470	100.0
416.08725	0.5
416.16772	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.2
57.03450	0.9
57.58839	0.2
59.01379	100.0
60.01711	1.3
61.98828	0.4
69.52467	1.8
71.01382	4.0
72.99308	0.5
73.02950	1.3
75.00894	0.6
78.95905	0.2
79.95741	2.1
80.96518	0.5
83.01396	0.6
85.02962	2.4
87.00894	0.4
89.02473	0.9
93.62984	0.2
95.01358	0.3
95.94744	0.2
95.95259	1.3
96.35352	0.2
96.96022	28.2
98.20049	0.6
98.20697	0.4
98.95603	0.4
99.00900	0.6
99.04525	0.4
101.02443	2.7
109.02959	0.3
113.02458	2.3
119.03522	0.2
122.97556	0.3
129.01978	0.4
138.97075	0.7
150.97087	0.7
153.01918	0.2
155.81406	0.2
159.03046	0.3
161.04599	1.6
177.04028	0.5
180.98102	0.3
189.39207	0.2
198.99005	0.3
240.98058	0.3
241.00189	1.5
256.99689	0.5
267.07022	0.2
281.17322	0.2
288.11237	0.3
288.61371	0.2
369.13406	0.5
371.20721	1.5
372.21051	0.4
412.64200	0.6
413.08929	9.8
413.14667	14.0
413.65002	2.8
414.09201	1.1
414.15048	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	413.291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01726	0.7
60.26606	0.5
65.48761	0.4
67.21522	0.4
68.43445	0.4
71.05748	1.0
76.88125	0.5
93.31871	0.4
105.18803	0.4
106.33684	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.3
57.03448	12.8
58.00587	0.6
59.01097	0.5
59.01376	5.8
68.99811	0.5
69.59203	2.5
71.01387	4.2
72.99310	1.7
73.02927	0.9
75.00876	3.2
83.01395	3.0
84.02177	2.3
85.02958	100.0
86.03293	2.7
87.00877	0.9
89.02476	0.7
91.62433	0.3
96.96028	0.9
98.19894	0.8
98.20544	0.9
99.00913	0.4
101.02457	1.3
103.00379	1.3
111.00887	5.3
115.00409	1.0
129.00972	0.5
129.01950	7.6
147.03012	10.9
149.02466	3.9
164.04839	2.3
173.00923	2.1
180.41943	0.4
191.01990	33.8
192.02350	1.4
209.03026	11.4
223.06169	2.1
354.21094	0.3
391.73401	0.4
415.12997	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61090	0.6
51.26069	0.5
55.01878	2.0
57.03447	13.0
59.01382	7.9
62.69444	0.6
68.99815	0.6
70.06532	2.2
71.01384	9.8
72.99310	2.1
73.02949	0.9
75.00889	2.7
83.01402	2.1
84.02180	3.5
85.02958	100.0
86.03304	2.3
87.00872	0.9
88.98806	1.2
89.02447	3.2
96.96014	2.6
98.19971	0.7
101.02462	1.2
103.00368	1.4
111.00887	6.6
115.00388	1.4
120.01247	0.5
121.02967	0.8
123.08994	0.6
126.80702	0.6
129.01950	7.5
133.01418	3.6
147.03017	9.9
149.02460	4.0
164.04793	3.0
164.85603	0.5
173.00948	2.6
179.07120	0.7
191.01990	35.8
192.02380	1.5
209.03030	66.3
210.03355	1.9
215.22263	0.5
215.29997	0.5
216.10211	1.0
223.06165	1.1
311.35742	0.5
415.12790	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.3
57.03449	0.7
59.01383	11.3
70.09980	1.4
71.01382	2.5
72.99302	0.4
73.02948	1.0
75.00878	0.5
76.82711	0.3
79.95745	5.2
80.96527	2.5
83.01399	0.7
85.02965	5.2
87.00883	0.8
87.04528	0.4
89.02442	0.3
95.95254	1.2
96.96021	100.0
97.95919	0.4
98.19845	0.3
98.95600	4.2
98.96455	1.0
99.00854	0.4
101.02467	2.3
103.00382	5.6
113.02477	1.1
117.61880	0.3
120.96079	0.4
122.97612	0.8
129.01901	0.4
138.97086	1.4
147.02960	0.3
150.97079	1.0
152.98656	0.9
164.98636	1.6
165.04059	0.5
180.98145	2.0
191.01991	0.8
198.99153	0.6
209.02835	0.4
237.14865	0.3
241.00249	3.9
256.99753	0.6
267.12311	0.5
283.12054	0.5
311.08212	0.9
329.09113	63.2
330.09448	5.2
363.13275	0.4
371.03336	0.4
371.10184	24.5
372.10498	1.8
397.08163	1.3
415.09198	18.6
415.16315	65.1
416.09521	2.0
416.16653	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	413.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50446	0.2
58.00591	0.2
59.01377	100.0
60.01714	0.9
60.61656	0.2
62.24708	0.3
70.90613	0.5
70.90949	0.3
71.01383	5.0
73.02947	2.4
79.95756	0.6
83.01411	0.8
85.02970	1.1
89.02453	3.7
96.82849	0.3
96.96017	7.9
98.95624	0.8
98.96424	0.3
101.02457	3.6
113.02470	1.9
119.03507	1.5
131.74313	0.2
138.97028	0.4
140.96973	0.3
143.03525	0.5
157.52316	0.2
161.04610	0.5
177.57718	0.2
179.05632	0.7
189.24333	0.3
235.17545	0.2
241.00334	0.6
261.40167	0.2
413.07339	0.6
413.14893	7.3
414.15396	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.5
57.03451	1.2
58.00583	0.4
59.01378	100.0
60.01711	1.1
61.98843	0.4
69.03459	0.5
69.37782	0.4
69.38201	1.9
71.01386	9.7
72.99322	0.6
73.01231	0.2
73.02953	4.1
75.00898	0.6
78.95922	0.2
79.95744	1.7
80.96534	0.8
83.01388	1.9
85.02955	5.6
86.03268	0.3
87.00891	0.4
89.02451	2.1
95.01402	1.0
95.95267	0.5
96.96021	22.1
97.02975	0.3
98.19942	0.6
98.20602	0.4
98.95619	0.5
99.00905	1.1
101.02456	6.9
113.02459	4.6
119.03501	0.6
122.58041	0.2
122.97551	0.4
125.02455	0.5
129.02000	0.3
138.97067	0.4
143.03535	0.6
145.03055	0.2
150.97081	0.4
159.03033	0.6
161.04578	2.9
164.74234	0.2
166.35152	0.2
180.98145	0.3
189.63245	0.2
209.15427	1.5
218.12796	0.2
241.00157	0.9
245.54436	0.2
258.09000	0.2
281.13757	0.3
353.19659	2.0
354.20074	0.3
370.10858	0.2
371.20743	10.8
372.21030	1.3
411.94507	0.2
412.64539	0.4
413.09323	1.6
413.14825	19.1
413.21735	2.1
413.65204	1.2
413.98169	0.3
414.09921	0.2
414.15244	2.7
414.21024	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.1
57.03450	12.7
58.03769	0.5
59.01379	9.8
61.98828	4.4
63.28679	0.3
68.99802	0.9
70.47324	0.7
70.47717	0.9
71.01384	3.2
72.99306	1.5
73.02950	0.5
75.00898	1.1
78.73750	0.3
79.95735	0.4
83.01387	2.6
84.02168	2.9
85.02957	100.0
86.03304	1.7
87.00876	1.5
89.02394	0.3
96.56779	0.4
96.96021	4.2
101.02453	0.6
103.00378	1.7
109.02766	0.4
111.00888	4.3
128.18503	0.3
129.01955	10.5
130.02267	0.4
133.01416	0.5
147.03006	12.0
173.00955	1.9
191.01982	36.0
192.02318	1.3
209.02986	1.5
221.15428	1.7
242.83304	0.5
289.18173	0.4
330.94656	0.4
388.66376	0.4
395.17245	0.5
413.18439	6.3
414.18707	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.8
55.37965	0.4
57.03453	11.7
59.01381	8.5
61.98824	1.8
65.53278	0.4
68.99808	0.6
71.01380	3.2
71.38578	0.4
71.65014	0.8
72.02889	0.5
72.99324	1.6
75.00880	1.1
78.95465	0.4
83.01404	2.4
84.02174	2.3
85.02960	100.0
86.03281	2.3
86.93041	0.4
87.00892	1.2
89.02442	0.4
96.96021	6.6
101.02433	0.7
101.95811	0.4
103.00379	2.1
111.00900	1.9
115.00397	0.8
123.24191	0.4
123.31564	0.5
129.01070	0.7
129.01967	10.3
147.03009	10.1
155.82297	0.4
162.08911	0.4
167.85428	0.5
173.00896	2.1
191.01987	35.4
192.02316	1.4
209.03038	2.0
221.15535	1.5
291.63077	0.4
314.57440	0.4
413.18231	5.7
414.18765	1.0
428.23709	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.3
57.03447	1.1
59.01378	31.0
60.01721	0.4
61.98830	4.2
63.47998	0.2
69.03442	0.3
70.92939	0.4
71.01383	3.4
72.99316	0.7
73.02944	1.2
73.60689	0.2
75.00871	0.8
78.95908	0.4
79.95739	4.3
80.96526	2.4
83.01412	0.6
85.02953	2.3
87.00888	0.6
88.08176	0.2
89.02454	1.4
89.62879	0.2
95.01362	0.4
95.95249	2.8
96.96021	100.0
97.02950	0.3
97.95954	0.3
98.95582	0.5
99.00881	0.7
99.04525	2.3
101.02450	2.4
113.02465	1.6
119.03517	0.3
120.99667	0.3
122.97579	1.4
129.01917	0.2
137.09677	0.4
137.14540	0.2
138.97089	3.1
139.07637	0.6
143.03558	0.3
147.11743	0.3
149.04701	0.2
150.97087	2.1
152.98666	0.3
160.04018	0.9
161.04503	0.4
164.98618	0.7
168.98163	0.4
175.14865	0.2
177.04022	0.7
179.10701	0.3
180.98122	1.5
181.08669	0.3
198.99187	1.6
207.03241	0.3
207.05006	0.2
209.07181	0.6
213.00648	0.3
219.13852	0.8
222.99078	0.4
225.00693	0.6
237.14896	0.4
241.00237	5.1
242.00446	0.3
256.99762	0.4
259.01163	0.7
263.12787	0.5
266.09326	0.4
281.13953	2.7
285.02753	0.4
288.11526	0.3
354.10815	0.6
412.64185	0.5
413.09171	12.5
413.14755	89.9
413.65079	1.9
414.09399	1.3
414.15094	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	413.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03180	0.4
57.03448	5.8
59.01376	15.4
60.75171	0.2
61.98830	2.1
71.01383	2.9
71.10989	0.3
71.11335	0.5
72.99336	0.4
73.02958	1.4
74.02486	0.2
79.95742	3.1
80.96517	1.9
83.01389	0.6
85.02948	1.7
87.00899	0.5
89.02453	0.7
95.01378	0.3
95.95248	1.0
96.96021	90.6
97.95973	0.3
98.95609	1.2
99.00912	0.7
99.04527	3.9
101.02451	3.2
107.05041	14.6
108.05350	0.8
113.02455	1.3
117.17120	0.2
122.97612	1.1
125.02447	2.7
138.97101	2.7
150.97093	1.6
152.98579	0.3
160.04021	0.4
161.04552	0.7
164.98732	0.5
174.75540	0.3
180.98181	1.3
198.99164	0.9
241.00214	4.3
386.86246	0.3
413.14850	100.0
414.15201	10.6
414.21042	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91444	0.4
59.01137	0.4
59.01385	4.6
64.70811	0.3
70.50080	1.4
71.01379	2.8
71.99552	0.3
72.99311	0.4
73.02939	0.4
79.95752	3.6
80.96524	1.8
85.02965	1.3
87.00879	0.5
89.02454	1.0
94.13207	0.4
95.95236	2.1
96.96022	91.1
98.20514	0.4
101.02456	1.0
113.02483	0.7
122.97586	0.9
134.37627	0.3
138.97081	2.4
150.97096	1.1
164.98712	0.8
168.98138	0.5
180.98125	1.3
198.99190	1.5
201.14893	0.5
217.87561	0.4
223.79544	0.4
225.00787	0.7
241.00208	4.3
259.01202	0.6
413.14871	100.0
414.15198	10.3
414.20581	0.3
438.61090	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49583	0.4
59.01382	4.7
68.34220	0.4
69.61877	0.6
69.62290	2.3
71.01057	0.3
71.01377	2.2
73.02947	0.4
79.95750	3.4
80.96512	2.2
83.01411	0.4
85.02961	0.8
89.02438	1.1
95.95226	1.8
96.96021	95.4
97.95948	0.5
101.02455	1.4
102.46288	0.3
122.97622	1.6
138.97105	2.5
150.97099	2.0
164.98618	0.5
168.98059	0.4
178.90503	0.4
180.98120	1.3
198.99158	1.5
222.99246	0.7
224.90297	0.3
225.00751	0.8
241.00244	4.5
259.01270	0.8
285.02945	0.4
353.33939	0.4
394.50375	0.4
413.14859	100.0
414.15225	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.5
57.03445	4.2
59.01380	21.9
61.98827	2.8
67.01904	1.7
68.99807	1.5
69.03464	1.9
69.68017	7.0
71.01382	24.8
72.99297	6.3
73.02943	2.1
75.00878	13.5
79.95734	3.8
80.96527	2.8
83.01382	1.3
85.02961	26.9
86.03245	1.0
87.00884	10.7
89.02451	8.2
91.04019	1.5
93.03455	1.2
95.01391	5.1
96.07755	0.9
96.96021	100.0
97.02950	3.2
98.95592	3.6
98.96329	0.7
99.00892	12.7
101.02442	4.8
103.00380	3.4
108.92265	0.9
111.00893	2.6
113.02457	27.9
115.00369	2.5
117.01951	2.9
117.03447	4.6
119.05040	36.5
120.01240	1.2
120.05357	1.6
122.97577	1.6
125.02442	2.3
129.01958	3.5
134.03745	8.7
135.04495	0.9
137.76311	1.1
138.97090	2.5
141.01924	1.0
143.03543	1.1
145.02985	16.1
147.03001	1.2
149.04498	1.4
149.06093	2.2
150.97104	1.2
157.01358	1.6
163.04022	33.0
164.04466	1.6
164.98540	1.0
175.02460	1.7
175.83408	0.9
180.98138	1.3
193.05075	13.3
198.99101	1.3
205.03551	1.9
207.05086	1.1
219.05115	6.7
237.07797	1.8
241.00192	7.7
249.03745	1.6
249.06158	19.5
250.06488	1.9
266.69034	1.0
267.07199	93.8
268.07541	4.7
281.13818	1.9
327.07507	8.6
328.07666	1.2
334.38150	0.9
353.08667	0.9
369.08511	5.0
413.10782	51.2
413.14890	69.4
414.11163	5.0
414.16064	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	413.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	4.8
56.39915	1.0
57.03453	2.7
59.01379	91.8
60.01702	2.0
61.98829	4.3
67.01892	1.4
69.03459	100.0
70.03796	3.2
71.01386	13.9
71.04951	0.9
71.73049	1.0
71.73428	1.0
72.99307	4.1
73.02954	5.8
73.16212	1.0
75.00872	6.5
79.01911	0.9
79.95739	6.2
80.96530	1.3
83.01404	1.2
85.02959	13.0
87.00895	4.0
89.02451	3.7
92.43300	1.0
95.01396	3.9
95.95247	4.3
96.96024	60.6
97.02966	21.7
98.95604	1.3
99.00891	27.9
99.04516	1.2
100.01263	1.0
101.02457	5.1
103.00362	1.2
111.00873	1.5
112.01654	1.0
113.02460	10.1
119.03519	2.0
121.02969	4.7
123.00873	1.0
129.01973	1.4
131.03523	1.6
131.52412	0.9
134.39398	0.8
135.38664	0.9
137.09746	2.2
138.97089	2.3
139.11349	1.8
141.01962	6.0
141.02957	1.1
150.97072	1.9
161.04584	2.8
163.83878	0.9
164.24785	0.9
165.12871	1.8
173.25087	0.9
175.02463	1.2
177.04114	1.5
183.13914	4.0
185.00929	75.5
186.01254	2.7
191.01999	1.1
195.09908	0.9
197.12976	1.0
198.99115	1.9
203.02007	4.1
209.15501	3.0
227.12891	3.6
241.00230	3.4
249.06139	2.4
265.17938	2.1
267.07086	2.4
371.20892	3.5
412.64584	1.5
413.14801	49.1
413.65021	10.3
414.15170	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	413.11
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.9
57.03453	2.2
58.44733	0.5
59.01380	14.1
61.98846	2.3
68.99818	0.5
69.03461	1.1
71.01388	13.8
71.72342	0.8
72.99310	3.5
73.02959	2.1
75.00885	7.6
77.07272	0.5
79.95748	6.1
80.96519	3.2
83.01398	1.8
85.02961	16.4
87.00890	5.8
89.02470	4.3
93.03471	1.0
95.01415	3.4
95.95249	0.7
96.96024	100.0
97.02964	0.8
97.95940	0.5
98.95589	3.2
99.00876	5.4
101.02454	3.5
103.00388	2.3
109.02972	0.8
111.00886	0.6
113.02468	17.2
115.00390	1.1
115.04047	0.5
117.01963	1.9
117.03479	1.4
119.05046	20.9
120.05355	1.1
122.08185	0.5
122.97563	0.9
125.02512	1.1
129.01958	1.8
130.86665	0.5
131.03484	0.4
134.03741	0.8
138.97104	3.7
145.02971	9.9
146.03296	0.7
150.97086	1.0
157.01454	0.5
163.04034	20.9
163.53140	0.4
164.04362	1.0
164.98671	0.5
171.10367	0.5
175.02420	1.1
179.03531	0.5
180.98062	1.1
191.01952	1.1
193.04993	0.9
201.54166	0.6
205.03656	1.2
207.05223	0.6
222.99374	0.6
231.05136	0.8
237.07721	1.9
241.00240	8.6
249.06157	11.4
251.12198	0.5
267.07199	54.9
268.07510	3.8
313.06018	1.4
327.07568	14.4
328.08041	1.1
333.15482	1.6
334.95508	0.5
341.09189	1.3
351.10977	0.7
353.09128	1.6
369.08514	6.4
369.12332	0.7
413.10831	42.6
413.14960	71.4
414.11151	5.3
414.16107	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	411.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16823	0.2
53.74789	0.2
55.01874	0.3
57.03447	25.4
58.03795	0.5
59.01377	60.1
60.01712	0.8
61.98840	0.9
69.03455	3.8
70.03801	0.4
71.01383	6.9
71.05032	0.9
72.99333	0.6
73.02938	1.5
74.02512	0.5
75.00861	0.3
78.26157	0.3
79.95748	0.9
83.01406	0.8
83.05039	0.3
85.02959	2.8
87.00885	0.6
89.02451	0.5
95.01403	0.3
95.05065	0.7
95.95250	0.5
96.96021	12.2
97.02945	1.3
97.06616	0.3
98.95657	0.3
99.00909	1.1
101.02444	1.9
102.87740	0.2
106.04291	0.3
107.05029	0.2
108.02187	0.5
109.02985	0.3
109.06606	3.4
111.08181	0.3
113.02468	1.7
119.03544	0.6
120.01291	0.3
121.01470	0.2
121.06607	1.3
123.08195	0.8
125.02445	0.4
131.03448	0.4
133.06619	0.7
136.67134	0.2
137.08759	0.5
137.09734	6.6
139.07637	1.9
143.03502	0.3
148.05330	2.1
149.04500	0.4
149.09737	1.9
151.07640	0.4
151.11284	0.5
152.01201	0.3
153.01927	0.3
154.99889	0.5
161.04579	0.7
163.07671	1.3
163.11270	0.4
165.12878	1.0
185.00842	0.8
189.12888	1.4
191.10797	0.3
192.11572	15.3
193.11839	1.2
203.05528	1.2
205.12456	0.3
207.13899	100.0
207.43039	0.3
208.14253	8.0
211.13477	0.6
221.77867	0.3
241.00204	1.0
307.31454	0.3
368.15875	0.4
369.12183	0.4
369.19193	0.3
411.07669	0.7
411.13107	5.9
411.20456	0.6
412.13843	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	411.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01723	1.5
71.05873	0.6
71.06219	1.0
92.35486	0.5
95.73587	0.4
101.75853	0.5
332.67700	0.5
404.45114	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59723	0.3
57.24639	0.3
58.92574	0.3
59.01379	100.0
60.01719	1.5
70.92505	1.1
92.99609	0.3
199.77596	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	3.7
61.98821	1.2
65.01147	0.5
69.85081	0.4
70.25117	2.0
71.01378	1.5
73.02950	2.0
78.95911	2.2
96.96006	1.4
102.74169	0.4
103.03998	0.9
131.03526	3.2
152.99579	2.4
153.99945	1.3
155.00047	0.7
186.77530	0.4
279.23276	100.0
280.23602	10.0
326.18939	0.6
377.64893	0.5
411.24170	1.8
411.28574	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.8
57.03448	27.2
59.01378	60.9
60.01712	1.2
61.98830	0.7
65.65261	0.4
69.03462	3.9
70.42535	1.3
71.01385	6.8
71.05028	0.5
72.99352	0.4
73.02963	1.8
79.95744	1.1
83.01383	0.7
85.02956	2.9
89.02451	0.7
95.05036	0.7
95.95243	0.7
96.96018	14.1
97.02943	1.8
98.95620	0.5
99.00890	1.1
101.02463	1.9
105.72321	0.4
108.02181	0.8
109.02935	1.2
109.06619	3.3
113.02448	1.3
121.02965	0.4
121.06602	1.4
123.08210	0.5
125.02482	0.5
125.09731	0.4
128.61430	0.5
129.02016	0.4
137.09741	7.4
139.07634	1.9
148.05322	6.2
149.09731	1.6
151.07661	0.6
151.11317	0.5
152.01108	0.6
153.01935	1.3
161.04510	0.6
163.07677	5.0
165.12846	1.4
176.04836	0.4
176.65018	0.5
183.10992	0.4
185.00864	0.9
186.73123	0.4
189.12849	1.2
192.11580	14.1
192.53778	0.4
193.11978	0.8
203.05617	1.4
207.13902	100.0
208.14241	7.3
211.13336	0.5
241.00261	0.9
406.62277	0.4
411.02151	0.6
411.07687	0.7
411.13196	8.8
411.19992	0.9
412.13855	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	411.133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31034	0.3
55.79473	0.3
59.01382	1.8
71.01385	1.8
71.15762	0.8
72.99294	0.6
75.00866	0.5
77.30315	0.4
79.95740	6.6
80.96519	1.6
85.02945	1.2
89.02443	0.5
95.95251	8.4
95.95873	0.5
96.96020	81.1
97.95939	0.4
99.00903	0.3
101.02477	1.0
113.02483	0.4
115.51028	0.3
122.97601	1.5
138.81651	0.4
138.97108	1.9
150.97104	2.1
151.97882	0.6
164.98657	0.5
177.04037	2.8
180.98158	0.8
194.99722	0.5
213.00728	0.5
221.54985	0.3
222.99106	0.5
225.00751	1.1
241.00233	2.9
256.99686	2.4
286.45175	0.4
366.47565	0.4
372.95172	0.4
411.13297	100.0
412.13675	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.9
57.03442	5.7
59.01093	0.8
59.01381	14.6
61.98825	0.6
68.99820	2.2
69.03452	1.8
70.86697	1.8
71.01389	15.4
71.05025	8.5
72.99314	3.5
73.02954	2.4
75.00882	11.2
79.95750	1.1
81.03453	1.0
83.01379	1.1
84.02168	0.7
85.02959	24.2
87.00887	3.7
87.04538	3.2
89.02443	3.2
91.04018	1.0
93.03444	0.7
95.01408	2.7
95.95237	0.9
96.96024	16.4
97.02952	0.9
98.95617	1.8
99.00900	5.0
99.04525	23.3
101.02470	3.0
103.00379	2.4
107.69555	0.6
111.00928	1.2
113.02473	14.2
114.02866	0.8
115.04031	11.3
115.07687	2.2
117.01952	1.6
117.05601	20.2
118.05928	0.7
121.02979	0.7
125.02446	1.4
128.77426	0.7
129.01984	2.3
138.96938	0.7
147.03056	2.2
157.01422	0.7
161.08206	100.0
162.08568	4.3
175.02466	1.3
191.01988	4.7
209.03023	3.9
220.06155	0.8
220.63033	0.6
223.47517	0.9
226.52551	0.7
231.05089	1.3
241.00284	4.8
249.06145	79.7
250.06586	4.6
267.07251	4.2
267.10773	2.7
301.02835	0.6
309.12051	0.9
312.41861	0.7
340.91525	0.6
367.12402	2.7
411.05847	2.9
411.10468	2.0
411.15045	51.8
412.09686	1.1
412.15347	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.4
59.01370	1.4
64.22082	0.3
69.72884	1.0
69.73305	1.4
71.01382	2.0
72.99304	0.6
73.02966	0.3
74.33086	0.3
75.00863	2.4
79.95738	10.3
80.96524	1.3
85.02946	1.6
87.00889	0.6
95.95242	13.5
96.96018	77.6
101.02439	1.0
103.08599	0.3
122.97554	0.3
129.01990	1.0
138.97064	2.0
150.97096	3.4
151.97862	2.7
159.03035	0.6
168.98134	1.1
176.98634	0.6
177.02505	0.7
177.04054	12.4
194.99687	1.2
198.99094	0.3
213.00755	1.7
222.99173	1.0
241.00226	3.7
256.99716	9.0
327.07416	0.4
411.13284	100.0
412.13641	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	411.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23955	0.4
55.42852	0.4
59.01383	2.5
61.44495	0.3
70.54586	1.1
70.54943	0.5
71.01382	2.5
72.99325	0.4
75.00873	2.1
79.95737	3.6
80.96521	1.9
85.02972	2.0
89.02449	0.5
95.95242	4.7
96.96021	82.4
99.00867	0.8
101.02434	1.8
101.46870	0.4
113.02482	0.4
122.97601	0.8
129.01949	1.0
138.97076	1.7
150.97076	1.3
153.57320	0.4
159.03046	0.7
162.43311	0.3
164.98721	0.4
168.98080	0.6
177.04059	9.3
180.98085	0.5
194.99635	0.4
213.00775	1.1
225.00856	0.6
241.00302	2.2
243.62137	0.4
246.90065	0.4
256.99744	6.3
268.81259	0.4
411.13309	100.0
412.13669	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	411.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.9
70.29636	0.8
70.30029	0.6
70.66016	0.3
71.01386	2.1
72.99317	0.5
75.00865	0.7
79.95742	10.5
80.96536	1.7
85.02957	0.8
89.02465	0.4
95.95241	17.0
96.96020	68.1
97.95927	0.4
101.02443	0.4
101.40565	0.3
107.27205	0.2
122.97572	1.1
138.97069	2.4
150.97079	4.6
151.97884	2.6
152.98604	0.4
156.49113	0.3
164.98639	0.7
168.98181	0.4
176.98518	0.3
177.04034	3.2
180.98138	0.6
194.99699	0.9
213.00679	0.4
222.99193	1.3
225.00735	0.8
241.00188	4.5
256.99707	2.5
258.00232	0.3
327.07483	0.3
411.13287	100.0
412.08148	0.5
412.13632	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25832	0.2
57.54446	0.2
59.01390	1.1
59.01654	0.2
69.89127	1.4
71.01390	1.8
73.02962	0.4
79.95747	5.8
80.96514	2.5
85.02930	1.0
87.00893	0.7
89.94362	0.2
95.95248	3.4
96.96020	100.0
97.02978	0.3
99.00887	0.4
101.02442	0.9
110.97601	1.7
113.02461	0.8
122.97587	0.3
125.02461	5.1
138.97090	6.5
141.95764	0.3
143.03522	0.3
145.45001	0.2
150.97089	0.9
154.02629	0.3
160.11584	0.2
163.74019	0.2
164.98640	0.7
167.03542	0.3
168.98193	0.5
169.01437	8.1
170.01753	0.4
170.63173	0.2
170.64769	0.2
180.98166	0.7
182.99655	0.2
222.99200	1.1
225.00722	1.7
241.00227	34.0
242.00583	1.3
276.80280	0.2
285.55597	0.2
331.06693	0.7
379.03580	0.5
385.53574	0.2
411.02011	11.1
411.06042	24.5
412.02335	0.9
412.07117	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	411.0603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.4
57.03436	0.4
59.01376	1.3
69.68105	2.6
71.01384	4.2
72.99322	0.7
73.02943	1.0
79.95743	10.1
80.96528	6.0
81.35223	0.3
83.01397	1.1
85.02968	2.9
87.00878	2.0
95.01387	0.4
95.95251	1.0
96.96020	100.0
97.95923	0.5
99.00903	0.5
101.02453	6.2
111.00927	0.6
113.02469	2.7
120.75919	0.3
122.97598	0.9
125.02492	0.7
137.96326	0.8
138.97089	6.2
139.00378	3.9
140.00806	0.3
150.97113	1.6
152.98647	1.1
153.63542	0.4
154.02724	3.2
161.04565	0.4
161.08122	0.4
166.96561	1.2
169.01376	0.6
169.05106	0.9
177.76656	0.3
180.98145	1.2
193.32106	0.4
201.53194	0.3
217.75911	0.3
222.99216	0.3
241.00226	94.3
242.00545	4.1
246.99667	0.3
249.06218	0.4
341.73117	0.4
365.73727	0.3
380.12271	0.3
411.06088	24.5
412.06140	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	409.236
Annotation	1-Palmitoylglycerol 3-phosphate
Peak:m/z	Relative Intensity
59.01380	0.4
61.98847	0.3
62.96425	0.3
65.95116	0.2
70.92170	0.5
70.92506	0.3
73.35110	0.2
78.95908	66.0
82.38704	0.2
86.25572	0.2
96.10710	0.2
96.96975	4.8
97.55766	0.2
116.13885	0.3
133.39937	0.2
150.98015	1.6
152.99603	100.0
153.99942	1.9
160.22699	0.3
171.00653	2.6
255.23239	2.3
277.21716	7.8
278.21982	0.6
289.03400	0.3
409.23599	20.4
410.23865	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	409.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35817	0.3
59.01370	0.9
61.98829	0.7
62.96403	0.5
63.34933	0.3
71.01360	0.5
72.65635	0.3
73.02964	0.3
78.27718	0.3
78.95908	71.0
83.22356	0.3
96.96976	6.4
114.36631	0.3
131.03542	0.5
136.39911	0.3
147.59438	0.3
150.98038	2.1
152.99602	100.0
153.99931	1.9
165.89233	0.3
171.00650	2.7
255.23409	2.0
262.62744	0.3
277.21722	31.9
278.22101	4.0
325.18405	0.8
409.23608	18.0
410.23877	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	409.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48801	0.3
59.01377	1.6
59.05409	0.4
69.80267	0.3
71.01394	1.3
71.21318	0.7
73.02959	2.9
76.83936	0.3
78.95905	0.6
83.05027	0.4
101.02454	0.3
103.04011	0.7
131.03520	4.0
152.99571	0.9
167.42365	0.4
259.20554	0.5
275.20337	0.4
277.21713	100.0
278.22040	10.5
282.42026	0.3
384.60440	0.3
409.25891	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	411.024
Annotation	Turgorin
Peak:m/z	Relative Intensity
59.01374	0.8
67.19099	0.2
70.47694	0.7
71.01384	1.5
72.99316	0.3
73.02934	0.7
79.95746	4.7
80.44913	0.2
80.96523	3.0
82.95411	0.3
83.01413	0.3
85.02958	0.9
87.00877	0.7
95.95245	2.7
96.96021	100.0
97.02968	0.3
97.95948	0.3
99.00908	0.5
101.02451	1.2
101.95533	0.3
110.97592	0.8
113.02486	0.7
122.97578	0.4
125.02466	7.4
126.02737	0.3
138.97095	7.8
143.03514	0.3
150.97069	1.0
151.57487	0.3
164.98643	0.8
168.98244	0.6
169.01440	11.5
170.01765	0.6
180.98096	0.9
205.78566	0.3
222.99260	1.6
225.00726	1.2
241.00230	44.3
242.00557	2.1
245.84698	0.3
331.06653	1.2
379.03448	0.3
393.42813	0.3
411.02267	24.7
411.06339	13.4
412.01797	2.1
412.06512	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	409.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.9
57.03444	3.1
58.00579	0.5
59.01101	0.9
59.01382	15.6
61.98844	2.1
68.09365	0.4
68.99831	1.1
69.03460	2.0
71.01387	12.6
71.71915	0.5
72.99319	4.0
73.02949	1.8
75.00879	10.9
79.95765	0.5
80.96530	0.8
81.03454	0.5
83.01389	1.6
83.05019	0.7
85.02959	19.0
86.03288	0.7
87.00895	4.6
89.02438	3.9
93.03456	0.9
95.01384	3.0
95.05038	10.5
95.95221	0.6
96.05385	0.7
96.21574	0.4
96.96021	17.8
97.02975	0.4
97.06600	55.9
98.06931	1.9
98.95607	1.2
99.00893	7.2
99.04514	1.1
101.02460	2.6
103.00373	1.3
107.05031	0.8
111.00907	1.0
113.02459	11.4
115.00375	1.6
115.07671	10.5
117.01967	2.1
119.03471	0.6
120.01257	0.5
123.04533	0.4
123.32736	0.4
125.02469	0.7
125.27943	0.4
129.01961	2.1
131.03474	0.5
134.03726	0.7
135.04552	3.6
140.59897	0.4
141.05591	2.0
143.07190	0.5
147.03015	1.3
157.01498	1.2
159.06645	42.8
160.06946	2.1
161.04674	0.9
165.01959	1.1
165.05600	1.3
167.03476	0.6
175.02466	1.8
180.04276	0.9
191.01996	3.2
193.04970	0.7
195.06660	1.5
198.87878	0.4
209.02980	0.5
218.28065	0.4
231.05203	1.2
233.10295	5.8
234.10539	0.5
241.00203	2.5
249.06128	10.2
250.06346	0.5
263.64752	0.5
267.07269	2.1
269.91727	0.5
301.10910	0.6
347.13306	1.3
349.11423	0.8
349.15073	3.5
349.18738	0.6
361.12775	1.2
391.12314	3.4
409.13470	100.0
410.08142	0.9
410.13846	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	409.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66523	0.3
59.01124	0.3
59.01369	1.2
71.01376	2.5
71.11256	0.2
71.11579	0.5
73.02936	0.4
78.43228	0.2
79.95734	3.1
80.96525	3.5
81.09080	0.2
85.02945	1.0
87.00893	0.7
94.60166	0.2
95.95243	0.3
96.96018	100.0
97.02929	0.2
97.95947	0.3
99.00899	0.4
101.02441	1.0
113.02448	0.6
122.97584	0.6
125.02441	0.3
138.97089	10.7
143.03514	0.7
150.45396	0.3
150.97098	1.0
164.98654	1.1
167.10789	0.7
168.98112	1.1
180.98158	0.8
211.29402	0.3
222.99194	2.3
229.99252	0.3
240.34467	0.2
241.00223	66.6
242.00516	2.8
305.72351	0.3
409.11722	29.6
410.12146	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	409.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.7
57.03446	4.3
58.00580	0.6
58.43011	0.5
59.01378	16.7
61.98826	2.1
62.48035	0.5
67.01899	0.7
68.99812	1.0
69.03463	1.7
69.39368	1.1
69.39766	4.4
71.01387	13.5
72.99306	4.7
73.02929	2.3
75.00879	10.2
76.05259	0.6
78.10446	0.4
79.95754	1.3
83.01400	1.4
83.05029	1.1
85.02960	20.3
86.03326	0.6
87.00884	5.1
89.02453	4.5
93.03467	1.1
93.08897	0.4
95.01405	3.5
95.05039	10.6
95.95223	0.7
96.96027	17.8
97.06602	62.6
98.06937	1.2
98.95586	1.3
99.00891	6.9
99.04538	1.2
101.02451	2.7
103.00375	0.8
106.04266	0.5
107.05042	0.9
109.02967	0.5
111.00881	1.9
111.04519	0.7
113.02467	13.8
114.02744	0.5
115.00380	1.3
115.07662	10.9
117.01968	1.9
120.01285	0.9
123.04556	0.8
125.02412	0.6
125.09733	0.6
129.01941	1.8
130.08746	0.5
131.03523	0.7
134.03775	1.8
135.04546	3.8
137.02483	0.6
138.97070	0.7
141.05600	1.8
147.03008	1.1
149.06097	0.5
157.01445	1.6
159.06650	46.7
160.07031	2.2
161.04533	0.9
165.01910	1.3
165.05586	1.2
167.03452	0.9
167.07149	0.6
169.08730	0.8
173.04604	0.4
175.02480	1.6
177.17030	0.5
179.05646	0.5
180.04225	0.5
187.09715	0.5
191.01982	2.4
193.05043	0.6
195.06647	2.9
195.16093	0.5
231.05086	0.8
233.10283	4.7
241.00229	3.5
243.08890	0.5
249.06152	10.8
259.01221	0.6
267.07239	2.7
274.54156	0.5
301.10870	0.5
327.63510	0.5
347.13300	1.6
349.11264	0.8
349.15021	2.9
361.12860	1.0
391.12378	3.4
409.13492	100.0
410.08279	0.9
410.13846	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	409.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.3
58.53257	0.2
59.01375	1.5
69.47340	1.7
69.47747	0.4
71.01386	2.7
72.99271	0.3
73.02954	0.7
79.95740	4.2
80.96523	3.7
85.02934	1.0
87.00862	1.3
89.44413	0.2
95.01380	0.2
96.96019	100.0
97.02960	0.2
97.95956	0.5
98.20256	0.9
99.00896	0.6
101.02461	1.7
110.97250	0.2
113.02460	0.9
122.97594	0.8
138.97084	10.1
139.97472	0.2
143.03500	0.7
150.97115	1.3
152.18053	0.2
152.98650	0.3
157.56151	0.2
164.98689	1.0
166.96548	0.5
167.10832	1.5
168.98138	1.0
180.98129	0.9
222.99165	2.3
241.00221	73.7
242.00548	3.3
362.30563	0.2
409.11685	25.8
410.11951	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	409.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.5
59.01089	1.0
59.01379	16.8
60.01699	0.7
61.98830	10.9
62.71906	0.5
67.01883	0.9
69.03457	100.0
70.03796	2.1
71.01378	3.4
71.49556	0.6
72.99326	2.6
75.00852	0.8
79.01899	2.0
79.95745	3.0
80.96537	1.3
85.02951	3.8
87.00912	1.0
93.03461	0.7
95.01412	1.9
95.95235	1.3
96.96021	72.2
97.02958	18.0
99.00893	23.2
101.02444	1.7
113.02476	1.2
116.72683	0.5
121.03019	0.6
123.00922	0.9
129.54428	0.5
132.31285	0.5
134.03770	1.7
138.97118	1.5
141.01974	8.6
149.02466	3.9
150.97141	1.2
152.98647	0.5
164.04822	2.1
173.04558	3.0
177.04062	2.4
180.98116	1.3
185.00929	43.4
186.01276	2.0
189.31554	0.5
193.05058	0.5
203.02074	1.3
208.03723	1.1
223.06140	3.8
233.06702	5.4
241.00179	5.4
242.99927	0.6
256.99796	1.6
259.01416	1.0
276.70596	0.6
296.05966	0.5
305.07648	0.5
311.73190	0.6
349.09387	1.6
408.64081	1.0
409.11765	69.6
410.12054	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	409.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98368	0.3
55.01882	3.4
57.03437	0.3
57.64477	0.3
59.01379	5.5
59.06378	0.3
61.98833	0.8
67.01894	0.5
68.99827	0.3
69.03458	100.0
69.47364	3.1
70.03787	2.2
71.01381	2.5
72.81454	0.3
72.99316	2.2
73.02963	0.7
75.00881	0.6
76.84761	0.3
79.01921	1.3
79.95744	0.7
85.02959	2.4
87.00911	0.4
89.02470	0.3
95.01407	3.0
95.42657	0.3
95.95246	0.5
96.96021	7.9
97.02965	19.4
98.03309	0.6
98.95636	0.4
99.00893	23.8
100.01240	0.7
101.02463	0.4
102.12109	0.3
102.22798	0.3
111.00898	0.4
113.02455	0.7
119.05032	0.4
123.00903	0.9
138.97041	0.3
141.01964	6.8
145.02943	0.3
179.10809	1.3
185.00926	51.3
186.01259	2.0
203.01974	7.4
204.02199	0.4
241.00226	0.6
318.20453	0.3
326.72189	0.3
340.10995	0.3
409.11340	4.6
409.19009	1.1
410.12076	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.9
57.03442	1.7
58.02963	0.6
59.01379	12.0
60.01696	0.3
61.98827	0.3
69.03448	1.4
71.01382	4.8
71.72482	0.3
71.72875	0.4
71.78629	0.3
72.99305	0.7
73.02948	1.6
74.02480	1.2
75.00883	0.7
77.64715	0.2
79.95740	3.4
80.96522	2.2
83.01391	0.7
85.02958	6.6
86.02487	0.4
87.00871	0.9
89.02439	2.6
95.01403	0.6
95.95243	1.4
96.96021	100.0
97.02959	0.8
97.95882	0.2
98.95605	1.1
99.00899	1.4
99.04527	1.1
99.05634	0.7
100.06026	0.3
101.02453	4.1
103.00323	0.3
109.02999	0.3
111.00928	0.4
113.02469	2.3
119.03498	0.9
119.29911	0.2
120.01234	0.4
121.02988	0.3
122.97534	0.6
123.04513	0.3
125.02469	1.0
128.03551	2.1
129.01967	0.7
129.03925	0.6
130.08760	3.6
134.02809	0.3
134.03755	1.0
135.00925	0.6
135.04558	0.3
135.05594	0.3
138.97096	5.7
141.06804	0.3
143.03545	0.5
143.04585	2.6
144.05042	1.2
146.04604	0.3
147.03020	0.3
149.02509	0.4
149.06120	0.4
150.03275	0.3
150.97066	1.5
153.01888	0.5
159.10318	0.4
161.04587	0.9
163.03935	0.2
164.98695	0.6
165.01892	0.2
165.05537	0.3
167.03497	1.0
168.03038	0.3
168.98135	0.5
173.04619	0.3
175.04002	0.4
180.04941	0.3
180.98105	1.1
185.00912	0.9
187.13380	0.3
191.02025	0.5
193.05119	0.5
211.09171	0.3
216.15314	0.2
218.04947	0.7
220.25279	0.3
222.99207	1.4
225.00748	0.6
233.06677	0.5
241.00229	25.7
241.33081	0.2
242.00685	1.4
249.06169	0.5
251.06728	0.3
254.07820	0.6
255.08047	0.9
256.07928	0.4
256.99820	0.3
259.01251	0.8
261.13449	0.5
266.06567	0.3
272.08917	0.7
273.09106	1.2
275.09253	0.4
329.08978	0.4
349.18658	6.1
350.19107	0.6
377.01843	24.8
378.02197	2.1
387.19073	0.3
391.15692	0.4
395.02814	0.6
408.16589	0.3
409.04443	56.2
409.11627	10.3
409.16580	4.2
409.20901	2.7
410.04675	5.8
410.11890	0.8
410.17072	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0448
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.4
58.36584	0.3
59.01380	3.1
61.98828	1.1
63.92416	0.2
71.01382	1.8
71.10062	0.8
72.99296	0.4
73.02952	0.8
74.99100	0.7
75.00872	0.6
79.95744	3.3
80.96523	1.3
83.01412	0.4
84.00314	0.3
85.02969	4.0
87.00881	0.7
89.02502	0.5
91.18104	0.2
95.95286	0.7
96.96024	100.0
97.02940	0.4
97.06606	0.7
97.95954	0.4
98.95598	1.0
101.02465	1.8
108.02164	2.7
113.02467	1.1
120.01276	2.8
122.97607	0.8
123.04510	1.6
135.04536	0.4
138.97084	1.3
145.03036	0.3
147.03027	0.4
150.03140	0.4
150.97063	0.7
152.01170	6.4
152.98656	5.3
158.60089	0.2
159.06642	0.6
161.04570	0.4
163.22702	0.3
165.05559	0.6
167.03511	9.7
168.03792	0.4
171.45078	0.3
180.98177	1.6
189.05548	0.7
191.02156	0.6
209.02872	0.4
215.55309	0.3
241.00237	61.8
242.00449	2.3
249.06236	0.3
267.07141	0.4
318.54901	0.3
362.71747	0.3
409.04300	30.7
409.13196	1.7
410.03668	2.1
417.39621	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.1
57.03446	10.8
58.00592	0.6
59.01379	9.6
61.98822	0.9
68.99827	0.8
71.01384	4.2
71.11087	0.4
71.11424	0.9
72.99304	1.1
73.02940	0.6
75.00871	1.6
78.95916	1.4
79.95757	0.5
83.01395	2.1
84.01705	0.4
84.02153	2.4
85.02956	100.0
86.03303	2.8
87.00876	1.5
89.02451	0.5
96.96017	5.3
98.83987	0.3
98.95611	1.6
99.00872	0.4
101.02461	0.8
103.00356	2.2
111.00898	2.0
115.00343	0.4
129.01964	9.5
143.95972	0.4
147.03008	10.4
173.00909	1.3
191.01982	45.8
191.47354	0.4
192.02341	1.9
209.03020	1.6
215.16528	3.2
241.00244	0.9
259.62531	0.4
271.30853	0.4
275.15448	0.4
389.18024	1.1
407.13797	0.8
407.19138	5.8
408.19507	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57829	0.1
55.01873	0.5
57.03450	0.3
59.01379	2.8
61.98830	100.0
62.98525	0.2
69.03456	9.4
71.01392	1.1
71.73101	0.3
71.73481	0.2
72.99311	0.3
73.02972	0.3
75.00877	0.4
78.95925	0.2
79.95762	0.5
80.96521	0.2
84.02180	0.2
85.02961	1.6
87.00948	0.2
89.02473	0.2
95.95259	0.2
96.96020	5.2
97.02947	1.8
98.95635	0.2
99.00888	2.4
101.02472	0.5
111.53463	0.2
113.02489	0.6
119.05049	0.3
131.03545	0.2
135.04486	0.2
138.97096	0.2
141.01971	0.6
145.05368	0.4
146.06136	0.3
149.02495	0.2
160.04070	2.8
161.04773	0.8
166.05115	0.2
176.03621	0.3
177.04288	0.3
185.00920	6.2
189.04303	2.5
189.05849	0.2
190.04971	0.3
193.03766	0.4
203.02011	0.4
209.08180	1.0
210.08479	0.3
221.03355	0.6
221.06874	1.1
241.00307	0.8
245.12929	0.3
253.06102	0.4
268.09650	0.2
269.12918	1.4
275.34906	0.2
290.38452	0.2
313.11975	1.4
345.14551	9.4
346.14835	1.0
351.10577	0.2
356.79477	0.2
408.10516	0.3
409.11377	1.2
409.19281	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.0
57.03448	12.8
58.00607	0.4
59.01377	7.7
59.56452	0.2
61.98845	1.8
65.29051	0.2
65.85792	0.2
68.99826	0.5
69.35352	0.2
70.74968	0.9
71.01377	3.4
72.99313	1.4
73.02950	0.6
75.00883	1.7
78.95916	0.4
83.01388	2.5
84.02174	2.2
85.02959	100.0
86.03297	2.5
87.00893	1.1
89.02444	0.4
96.96024	3.8
98.20485	0.3
98.95587	1.3
98.96475	0.3
99.00910	0.4
101.02435	0.8
103.00362	1.5
111.00895	3.7
113.02451	0.4
115.00376	0.7
128.35014	0.2
129.01961	11.5
130.02267	0.4
147.03011	12.3
173.00919	2.6
191.01985	47.1
192.02309	1.8
209.03044	1.7
215.16518	3.2
223.04292	0.5
227.70784	0.3
241.00223	0.5
256.03467	0.3
283.19162	0.6
299.01971	0.3
344.21521	0.9
353.16205	0.3
389.18069	1.2
407.08029	0.3
407.13831	1.0
407.19150	6.3
408.19653	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95803	0.3
55.01877	2.2
57.03449	12.7
59.01379	7.5
60.42067	0.3
61.98819	0.4
68.99806	0.6
69.59515	0.7
69.59924	1.8
71.01379	4.0
72.99321	1.5
73.02953	0.6
75.00882	2.0
78.95901	0.4
79.95721	0.3
83.01397	2.7
84.02165	2.8
85.02957	100.0
86.03288	2.1
87.00883	1.2
87.48144	0.3
89.02446	0.5
96.96025	7.2
96.96671	0.3
98.95601	5.5
98.96442	1.1
99.00919	0.5
101.02457	1.0
103.00385	1.7
111.00896	4.0
115.00362	0.7
123.27293	0.3
129.01955	11.4
130.02217	0.5
133.01472	0.4
145.01418	0.4
147.01834	0.6
147.03009	13.4
148.03322	0.6
154.98120	0.3
170.17816	0.3
171.07774	0.3
173.00903	2.2
179.60788	0.3
191.01984	47.6
192.02374	1.5
209.03033	1.5
215.16510	3.4
216.16852	0.3
241.00298	0.8
242.15392	0.3
242.99788	1.5
254.15685	0.3
283.19220	0.7
345.19534	0.4
407.07968	2.8
407.13516	0.6
407.19156	7.8
408.19836	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1381
Annotation	Amlodipine
Peak:m/z	Relative Intensity
57.03447	0.8
59.01380	4.0
61.98826	2.5
70.59910	1.1
71.01385	4.3
72.99290	0.4
73.02941	0.4
73.05654	0.3
75.00867	0.8
79.95741	27.6
80.96526	1.8
83.01379	0.4
85.02956	3.3
87.00871	0.3
95.95240	44.9
96.96019	76.2
97.02908	0.4
98.20316	0.6
98.95609	0.4
99.00905	0.5
101.02467	0.8
101.25126	0.3
113.02477	0.7
122.87124	0.3
122.97575	0.9
129.01955	0.4
130.08722	0.6
138.97101	3.9
140.98460	0.3
141.95804	0.7
147.03023	0.4
150.97081	12.0
151.97864	6.7
152.98598	0.3
164.98647	0.7
166.96561	0.4
168.98151	0.8
176.98672	0.7
177.04056	2.9
180.98120	0.4
182.99603	0.4
183.96805	0.3
186.62523	0.3
191.01938	0.5
194.99669	1.5
213.00792	1.2
216.12338	0.4
222.99225	2.6
225.00729	0.8
241.00235	7.7
256.99753	3.4
267.07541	0.4
332.86011	0.3
341.14169	1.1
341.64465	0.4
406.65158	0.3
407.13779	100.0
408.14081	12.5
422.47263	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.4
57.03452	2.7
58.00597	0.9
58.02972	0.7
59.01379	82.3
60.01712	0.9
61.98841	4.8
69.47920	3.1
70.57261	0.4
71.01386	20.1
72.01716	0.6
72.99319	2.1
73.02603	0.4
73.02949	2.4
74.02495	0.4
74.37227	0.4
75.00887	1.3
78.95920	0.4
79.95741	3.3
80.96524	2.5
81.03438	0.4
83.01402	1.6
85.02958	11.6
85.03453	0.6
87.00878	2.6
88.04060	1.5
89.02454	27.0
95.01405	1.1
95.95206	0.9
96.96023	100.0
97.06631	0.5
97.95972	0.8
98.19887	0.8
98.95599	2.5
99.00909	1.2
99.04557	1.3
100.53211	0.4
101.02454	13.8
102.02775	0.6
111.00914	0.6
111.29783	0.4
113.02465	8.9
115.04023	0.5
116.05165	0.5
119.03525	10.0
119.05036	0.3
120.01273	0.9
121.02929	0.5
122.06156	0.4
122.97590	0.5
125.02460	0.8
128.03564	0.5
129.01964	0.8
131.03560	1.6
134.03772	1.0
138.97078	3.7
143.03540	3.0
143.04594	0.9
147.03018	0.9
149.02492	1.9
149.04568	1.2
149.06261	0.4
150.03247	2.5
150.97047	1.9
151.03999	0.6
152.98723	0.5
153.05626	0.5
157.08723	0.8
158.06105	0.4
160.04222	0.4
160.77150	0.4
161.04553	4.5
164.98666	0.5
165.04283	0.6
165.05568	2.8
165.09256	0.7
168.98160	0.5
179.05641	11.5
179.07224	0.7
180.06075	0.5
180.98227	1.2
181.05109	1.0
185.08310	0.4
191.01955	2.8
193.05121	0.4
195.06712	1.2
199.09836	0.4
203.12990	0.4
204.02020	0.7
209.03078	1.0
211.06136	1.2
215.13016	0.6
222.99100	0.5
241.00247	15.6
242.00552	0.5
249.06236	0.5
259.11923	0.8
267.07358	0.5
283.01410	0.6
287.10422	0.5
297.11490	0.6
300.15775	1.7
309.07938	0.6
313.08521	0.5
315.12567	0.7
327.00580	0.6
344.18338	1.9
347.17151	2.1
359.11435	0.5
371.10617	0.5
407.05957	3.9
407.10352	58.7
407.15024	3.0
408.06000	3.3
408.10736	8.4
408.14902	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24680	0.9
58.02978	15.4
59.01379	1.8
66.03481	1.8
67.76920	0.9
69.71558	3.3
69.71980	3.4
71.01372	1.1
71.94096	0.8
72.00919	1.3
74.02073	1.9
74.02476	25.4
77.63983	0.9
80.03802	1.4
81.04587	2.1
82.02986	3.6
84.04571	1.6
86.02490	12.8
86.06126	2.1
87.02777	1.4
87.05642	5.5
88.04044	1.3
96.96021	2.8
97.04073	3.9
99.05647	24.7
100.04076	1.0
101.07204	5.8
102.05618	3.8
107.06134	0.9
109.04096	5.5
109.07706	0.9
110.02474	1.1
111.05646	1.4
112.04089	4.4
123.05653	2.6
125.03587	3.5
127.05124	5.3
128.03554	68.7
129.03870	2.5
133.06953	18.2
135.05649	7.4
137.07240	1.6
141.06677	3.1
143.04636	100.0
144.04999	2.1
145.06235	4.0
146.04596	10.0
153.06715	6.5
166.09877	4.3
167.04637	5.1
167.08269	6.2
170.03311	1.5
171.04163	2.0
179.04646	24.3
181.06230	2.3
185.05746	3.4
192.07806	2.8
197.05710	5.5
210.08833	18.2
211.09042	1.0
228.09796	1.8
254.07811	47.8
255.08061	3.8
272.08850	57.4
273.09177	3.7
277.12201	6.1
307.07764	0.9
325.44324	1.2
360.73795	1.1
376.64893	1.1
388.15500	13.2
389.15958	2.2
406.16531	80.6
407.16852	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	407.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.9
59.01379	3.3
61.98845	0.4
71.01385	1.8
71.27425	0.4
72.99291	0.3
73.02946	0.7
75.00885	0.3
79.95739	3.4
80.96525	2.4
85.02956	4.9
87.00874	0.9
89.02457	0.6
93.03464	0.4
95.95243	1.0
96.96021	100.0
98.95613	1.4
98.96468	0.4
99.00895	0.5
101.02448	1.2
113.02461	0.6
120.01283	0.3
122.97594	0.8
135.04538	0.5
136.98837	0.4
138.97084	5.3
147.03027	1.0
150.97102	1.4
162.79002	0.3
164.98642	0.5
165.05551	1.3
168.98157	0.7
175.95757	0.2
180.98093	0.9
191.01945	1.7
222.99150	1.3
241.00227	16.1
242.00578	0.6
243.00034	0.5
244.51833	0.3
327.07483	0.5
371.06235	0.6
376.10294	0.5
407.06537	64.2
408.06763	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	407.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	3.4
59.01382	20.9
61.98827	1.4
65.99850	1.6
68.99821	2.5
70.16684	2.4
70.17081	2.0
71.01388	7.2
72.99306	1.5
73.02959	3.3
75.00883	1.3
79.95746	3.2
80.96536	0.9
82.02991	8.1
83.01387	2.1
85.02954	7.1
87.00906	1.8
89.02444	3.2
95.95265	1.4
96.96023	55.4
98.95605	2.1
99.00899	1.9
99.04514	1.4
101.02454	10.1
106.02969	1.2
106.30698	0.9
109.02999	2.3
109.91682	0.9
113.02460	3.4
113.73676	0.9
115.92107	1.3
117.20876	0.8
119.03534	1.1
123.04549	1.0
124.04115	0.8
125.02478	1.9
129.01938	1.0
132.04573	1.6
134.03738	3.9
134.04671	1.0
136.04082	1.2
137.02428	1.2
138.97092	1.4
145.59671	0.9
147.03157	0.9
147.49281	0.9
151.04024	1.3
152.01184	2.4
157.08673	2.1
159.06970	0.8
160.04205	1.1
160.07645	1.6
161.04659	1.7
162.04395	2.1
162.05603	1.5
164.03558	7.7
165.01988	1.5
165.05554	1.7
166.02721	1.8
167.03505	3.0
171.10304	2.0
172.07701	1.1
174.01970	1.3
174.05644	2.3
175.80385	1.0
176.03508	1.4
179.03520	4.2
179.06927	1.1
180.98090	1.0
181.05089	1.5
183.07813	1.1
185.03738	0.9
186.05672	1.3
188.07162	4.2
189.03053	2.2
189.06638	1.3
191.04584	2.3
193.05132	1.7
194.04556	1.5
196.06248	1.1
200.07181	2.2
201.02985	1.5
202.08745	4.5
204.03018	1.4
204.05252	1.6
213.00851	1.7
214.05186	1.5
214.08672	1.4
215.04527	2.3
215.09149	1.4
216.05354	5.5
216.06903	3.3
216.10263	3.1
217.02554	5.0
217.06152	7.4
217.09843	1.3
218.06851	1.9
228.06714	2.1
229.06053	9.7
230.03345	2.5
230.06886	4.8
231.07713	14.1
232.08359	4.7
241.00221	7.3
241.06252	3.5
242.03308	3.3
243.04086	20.5
243.07741	3.8
244.04843	14.1
244.09846	12.1
245.09332	5.9
245.17548	3.6
247.10800	1.4
248.09285	4.0
249.05772	1.5
254.06949	1.6
256.04892	6.4
257.05652	18.3
257.09354	1.3
258.06418	8.0
259.07217	45.4
259.10809	6.2
260.07431	2.6
269.09244	3.7
270.07556	2.3
271.07236	24.9
272.07663	2.8
273.08960	1.0
276.12527	1.5
285.05627	1.5
285.08859	5.6
287.10367	73.9
287.75571	1.0
288.08575	4.7
288.10831	5.2
289.08704	1.4
291.09933	10.8
297.05185	1.3
298.05881	1.6
302.05621	1.4
303.01541	4.1
303.09839	1.5
313.08286	97.4
314.08643	10.1
317.07745	1.7
327.00171	2.1
331.09351	53.6
332.09653	5.3
335.08740	1.9
336.09009	1.0
343.09290	2.0
345.10898	9.6
346.11359	1.2
347.17154	3.0
357.07397	2.3
365.18118	2.3
375.08289	25.3
376.08536	2.7
389.09967	4.8
407.10767	100.0
407.19366	3.8
408.02216	1.8
408.11087	11.7
408.19113	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	406.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74143	1.1
58.02975	15.3
59.01377	3.8
66.03490	2.3
71.01382	2.6
71.03214	3.1
72.00921	1.3
74.02480	30.3
81.04592	1.3
82.03000	3.9
83.29162	1.1
84.04538	1.7
85.02985	1.7
85.04057	1.1
86.02495	13.8
86.06134	2.2
87.05659	4.7
96.96023	3.0
97.04091	3.2
99.05663	25.0
101.07214	6.3
102.05635	5.5
107.06141	2.2
109.04089	3.4
109.07717	1.7
111.05652	1.5
112.04063	4.0
113.02450	2.0
113.03571	1.4
123.05678	2.5
124.07711	1.4
125.03574	4.2
126.04330	1.2
127.05145	6.6
128.03557	75.5
129.03960	1.6
133.06953	20.1
135.05673	8.5
137.07211	2.3
141.06706	4.5
143.04645	100.0
144.04947	2.3
145.06201	4.0
146.04602	9.7
149.07245	1.6
153.06735	5.7
155.08282	1.6
157.08704	1.4
166.09901	5.2
167.04648	4.6
167.08278	5.9
170.03346	3.3
171.04114	2.8
175.61076	1.1
179.04626	26.9
180.05005	1.4
181.06163	3.1
184.10938	1.5
185.05695	2.6
190.03177	1.1
192.07790	3.2
197.05698	4.2
210.08836	21.5
244.13176	1.2
249.06169	1.6
254.07814	43.3
255.08072	2.1
272.08865	49.6
273.09183	3.7
277.12286	7.3
388.15414	10.6
389.15979	1.4
406.16544	78.4
407.10541	2.6
407.16461	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	405.2133
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01876	1.3
57.03451	11.3
58.00592	4.2
58.02948	0.4
59.01379	95.9
60.01717	1.2
61.98825	2.9
67.01894	0.4
69.03456	0.7
71.01384	65.2
71.05008	0.6
71.72289	0.5
72.01728	1.0
72.99310	5.6
73.02943	5.4
74.02463	0.7
75.00874	1.4
79.95756	2.8
80.96533	1.4
81.03451	0.8
83.01396	3.9
83.05017	0.9
85.02955	16.6
87.00885	5.2
89.02451	69.1
90.02784	1.0
95.01387	4.3
96.96021	100.0
97.02956	1.1
97.06576	0.4
98.95612	0.7
99.00900	2.4
99.01984	0.5
99.04507	0.8
99.05608	0.4
99.92590	1.2
101.02454	43.3
102.02767	0.9
102.26062	0.4
109.02968	0.5
109.27567	0.4
110.97559	0.4
111.00885	0.5
113.02468	26.9
114.02738	0.5
115.00383	4.1
115.04033	0.7
115.92075	1.3
116.92889	0.9
119.03518	32.9
119.05007	2.9
120.01315	0.6
120.03854	0.8
122.03675	0.5
122.06133	1.3
122.97573	0.7
123.00903	0.6
123.04555	0.6
123.08140	1.7
125.02445	1.2
125.06083	2.8
128.03539	1.2
129.01958	1.1
130.08707	0.4
131.03564	3.1
134.03766	0.9
135.04546	0.4
138.97095	2.0
140.07150	1.1
143.03485	6.2
143.04611	1.5
147.02972	0.4
149.04529	3.0
149.05647	0.6
149.09666	0.6
155.03465	0.7
155.07138	0.8
159.03027	1.0
161.04582	14.3
163.04028	1.5
163.11346	0.5
164.72833	0.4
167.10773	4.2
173.38727	0.4
174.05603	0.4
175.02507	10.2
178.06387	0.7
179.05650	9.9
180.98087	0.4
183.10278	11.0
184.10596	0.5
185.11771	0.6
188.04793	2.1
191.01976	0.9
193.05006	1.1
193.08633	0.7
195.13892	0.9
207.13716	0.5
209.03035	0.7
215.09195	0.5
221.08096	1.1
222.99017	0.6
225.11362	0.8
240.98024	0.7
241.00250	9.9
243.16000	12.5
244.16379	0.6
245.12833	0.8
249.06003	0.5
255.08009	0.5
267.07071	1.4
271.05872	0.4
271.08344	3.7
272.08676	1.4
272.11469	0.4
272.25244	0.4
289.11914	0.9
290.95901	0.7
306.07590	0.9
307.07742	0.9
308.07486	0.4
317.10260	0.6
329.11020	0.4
345.15433	0.6
360.73932	0.5
361.12561	0.4
405.04755	31.9
405.13626	2.6
405.21347	58.4
406.04056	2.8
406.08701	1.4
406.17459	0.6
406.21692	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	405.177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.0
57.03448	100.0
58.03786	2.2
59.01378	98.2
60.01714	1.0
60.76120	0.9
61.66652	0.8
61.98819	2.0
71.01387	20.5
71.03500	1.0
71.03861	2.6
72.99301	4.9
73.02953	10.6
75.00880	5.6
75.76421	0.8
79.95735	5.0
80.96529	1.9
81.03463	2.0
83.01401	4.7
85.02957	38.3
86.03262	1.9
87.00867	3.9
87.04503	1.5
87.53186	0.9
89.02436	5.7
93.03508	1.0
95.01407	2.3
95.95230	2.5
96.96021	62.1
97.02939	1.0
98.95591	2.2
99.00872	4.8
99.04527	78.7
100.04861	1.8
101.02456	36.5
102.02825	0.9
103.00413	1.1
111.00878	2.4
113.02460	11.1
119.03543	1.7
119.05052	3.1
120.01222	1.1
122.06072	0.9
123.08073	0.8
125.02463	19.0
129.01912	5.0
135.04590	1.4
138.97066	1.9
139.11269	1.1
143.03488	3.6
143.04550	1.5
147.02979	3.9
151.11346	1.0
155.10794	2.7
159.02991	1.6
161.04605	7.2
163.04022	1.1
164.04800	1.1
164.98505	1.0
181.05032	1.0
182.56964	0.9
191.01984	11.4
193.05016	1.1
195.06625	1.5
205.03503	2.0
209.08165	2.0
209.11754	1.5
227.12807	3.6
241.00174	8.4
243.12041	1.0
256.99698	0.9
261.00931	1.8
261.13412	29.5
262.13770	1.4
272.03226	2.2
273.13260	2.1
283.11194	1.2
285.11761	1.1
287.15070	7.9
288.15161	1.5
301.20212	2.5
303.14352	4.2
319.21011	3.5
329.11246	3.2
343.17517	1.9
345.23157	1.0
361.22269	1.5
363.07452	3.2
363.24118	2.2
373.09872	1.5
404.96762	1.2
405.08289	12.8
405.13107	2.2
405.16895	11.8
405.25821	6.5
406.18365	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	405.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.4
57.03447	100.0
58.00603	1.2
58.03788	1.5
59.01379	95.3
60.01703	1.4
69.57980	9.2
69.91668	1.0
70.79355	0.9
71.01381	20.6
72.26434	1.0
72.99300	1.3
73.02947	9.7
74.73431	0.9
75.00859	2.9
79.95737	4.6
81.03462	2.2
83.01387	6.0
85.02959	41.4
87.00883	2.5
89.02453	4.0
95.01401	1.3
95.95221	2.4
96.96022	42.4
98.95639	1.4
99.00879	4.7
99.04529	84.5
100.04852	1.9
101.02451	39.4
111.00878	2.2
113.02448	9.8
119.05024	2.3
125.02463	24.5
129.01958	3.7
135.03009	1.2
138.97066	1.1
139.54955	1.0
143.03542	2.7
147.03008	3.1
152.01138	1.2
159.02969	1.7
161.04539	7.8
163.03935	1.1
173.00917	1.6
177.03868	1.3
181.12344	1.2
186.75795	1.1
191.01985	12.7
194.81792	1.0
195.06659	1.9
205.03514	1.6
227.12898	3.9
234.17728	0.9
241.00298	4.9
243.12038	1.2
261.13428	31.9
262.13861	1.3
272.02933	1.5
287.15015	7.2
301.20288	2.5
303.14502	4.0
319.21182	2.3
329.11258	2.2
343.17520	3.0
349.78842	1.0
361.22238	1.5
363.07407	1.7
405.08307	9.2
405.12857	2.3
405.17221	13.4
405.20798	1.6
405.25183	3.8
406.17816	1.5
429.50323	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.2
59.01377	0.6
61.98845	0.5
64.38504	0.2
69.68110	0.4
69.68510	1.3
70.62950	0.2
71.01393	0.6
73.02966	0.6
79.95745	3.5
80.96523	2.1
83.01392	0.2
85.02959	1.0
87.00889	0.7
88.99918	0.2
91.13858	0.2
91.52077	0.2
92.15809	0.2
94.98094	0.4
95.95263	0.5
96.96021	100.0
97.95958	0.3
101.02446	1.3
113.02492	0.5
122.97599	0.7
138.97098	0.9
148.05331	1.1
149.05789	0.2
150.97084	0.6
152.98650	6.3
163.07666	0.7
166.96579	0.5
180.98161	1.8
225.00854	0.2
229.16109	0.2
241.00238	28.1
242.00591	1.3
293.26633	0.2
405.08585	44.9
406.08905	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	405.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.3
57.03438	0.4
59.01376	2.2
61.98828	1.1
70.20976	0.8
71.01380	1.5
72.99313	0.4
73.02951	1.2
79.95736	4.0
80.96527	1.9
83.01391	0.4
85.02950	3.2
87.00871	0.5
89.02486	0.2
94.98088	0.3
95.95248	1.0
96.96018	100.0
97.95951	0.4
98.40013	0.2
99.00877	0.3
101.02446	1.4
110.17525	0.1
111.00884	0.2
113.02451	0.5
122.97596	1.0
129.01930	0.5
138.85487	0.1
138.97101	1.2
143.03516	0.1
148.05322	1.7
150.97072	0.8
152.98636	5.6
162.20747	0.1
163.07707	1.0
164.98538	0.2
166.96527	0.4
180.98157	2.0
191.01949	0.9
201.15021	0.4
210.99214	0.3
222.99152	0.4
225.00850	0.3
241.00223	29.4
242.00569	1.1
270.15967	0.2
345.19095	0.2
363.20105	0.7
405.08542	34.5
405.12421	8.8
405.20993	1.2
406.08392	3.8
406.12869	0.9
426.24802	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.2
57.03446	4.8
59.01376	5.8
59.19128	0.4
61.98828	0.8
69.93343	2.9
71.01370	5.0
72.99306	2.2
73.02960	1.1
75.00879	1.2
76.39138	0.5
79.95750	3.0
80.96512	3.1
83.01405	1.8
84.02160	1.3
85.02956	40.2
86.03303	1.1
87.00887	1.4
89.02427	0.9
93.03477	0.8
95.95245	0.5
96.96020	100.0
97.95972	0.5
98.95621	0.9
99.00875	0.8
101.02450	1.8
103.00398	0.9
107.05034	0.6
107.48096	0.5
111.00895	1.6
113.02456	0.6
115.00359	0.5
119.05034	5.7
123.04531	1.8
129.01967	3.6
133.01465	1.5
133.02936	0.6
133.06621	0.6
138.97098	6.4
139.48320	0.5
147.03000	4.5
150.97092	0.9
151.04044	1.4
152.98605	0.8
163.03990	3.4
164.98642	0.5
168.98166	0.8
180.98128	0.8
191.01991	13.5
192.02310	1.0
195.29335	0.5
205.05128	0.6
209.03036	15.2
210.03427	1.0
221.76596	0.5
222.99174	1.5
239.15181	0.6
241.00226	29.1
242.00493	1.0
256.99789	0.5
308.80090	0.7
355.06641	1.1
405.04968	50.7
405.13202	2.2
406.05319	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	405.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.6
59.01379	0.9
62.47402	0.3
62.99646	0.3
69.66949	0.6
69.67364	2.2
71.01376	4.5
72.99296	0.7
73.02957	1.2
73.30907	0.3
74.38567	0.4
78.86217	0.3
79.95741	10.3
80.34853	0.3
80.96526	6.3
80.96957	0.6
83.01408	1.1
85.02958	3.0
87.00861	1.7
89.02449	0.4
95.01375	0.5
96.96021	94.2
97.95957	0.5
99.00859	0.4
101.02454	6.5
113.02462	3.3
122.97569	0.6
137.96303	1.1
138.97079	7.3
143.03517	0.4
148.05325	7.9
149.05615	0.5
150.97069	2.0
163.07652	1.7
166.96573	1.1
180.98149	1.3
201.97218	0.3
241.00230	100.0
242.00549	3.2
335.51538	0.4
371.29581	0.4
405.08618	17.5
406.08884	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	405.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.9
69.60160	1.5
71.01395	1.2
72.99320	0.4
73.02947	0.4
79.95747	3.4
80.96519	2.2
85.02949	0.9
87.00871	0.6
95.95233	1.4
96.96019	100.0
97.95941	0.4
98.20602	0.3
99.00887	0.3
101.02437	0.7
109.21206	0.2
110.97582	0.6
113.02452	0.5
122.97588	0.6
125.02387	0.2
128.04868	0.2
138.97090	4.8
143.03522	0.3
148.05342	0.7
150.97076	1.3
155.10597	0.2
164.98637	0.6
168.98138	0.7
180.98128	0.9
185.89732	0.2
187.41090	0.2
205.03531	0.3
222.99187	0.6
225.00737	0.4
241.00229	14.8
242.00540	0.6
286.96591	0.2
405.08600	50.7
406.08887	5.5
406.13794	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40005	0.8
57.03410	1.1
58.02976	9.8
59.01377	16.7
61.98836	1.7
66.03471	1.0
69.65339	5.7
70.02975	1.4
71.01377	7.1
72.00896	1.9
72.99298	1.2
73.02934	1.4
73.68426	0.6
74.02477	20.1
75.00872	2.3
79.95753	1.2
81.04585	1.2
81.07077	0.8
82.02984	2.8
83.95276	0.7
84.04556	0.8
85.02956	4.2
86.02483	8.2
86.06130	1.6
86.99098	1.5
87.00885	2.5
87.02780	0.7
87.05650	5.7
89.02456	7.0
90.00183	2.1
95.01392	0.9
96.96021	46.8
97.04069	2.3
99.00860	1.8
99.05655	17.8
101.02448	4.7
101.07208	3.6
102.05615	2.9
107.06157	0.8
109.04063	2.2
109.07753	1.0
111.05633	1.7
112.04075	1.6
113.02448	4.5
113.07266	1.0
116.01782	1.8
116.28990	0.7
119.03522	2.4
119.05039	3.9
120.01298	1.2
123.05669	1.6
124.04038	1.3
124.07687	0.8
125.03577	2.4
126.01997	1.0
127.05160	3.6
128.03552	49.9
129.03900	1.2
131.04613	1.3
135.05656	4.0
135.98419	0.6
137.06143	1.2
137.07234	1.4
141.06703	4.3
143.04637	70.4
144.01311	0.8
144.05045	0.9
145.06195	2.5
146.04593	5.1
152.98624	1.7
153.06677	4.3
155.07204	4.2
155.08292	1.2
159.99478	1.3
160.00763	20.7
163.04015	2.8
166.09862	2.0
167.04625	5.0
167.08203	1.8
171.07692	0.7
177.03413	6.4
179.04596	13.6
181.06314	0.9
184.10898	1.0
185.05672	2.6
197.05655	2.5
210.08878	11.5
211.09125	0.9
228.09859	1.3
231.04587	1.0
237.01587	0.6
241.00230	17.5
242.07829	1.9
249.06157	2.6
254.07813	18.5
255.08044	1.0
267.07196	6.8
272.08841	31.0
273.09161	2.2
288.06589	11.4
306.07645	100.0
307.08005	7.2
387.12964	1.9
404.06564	2.2
404.14847	1.1
405.04840	17.6
405.13385	7.5
405.21509	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	404.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98755	0.4
59.01374	6.5
61.98830	100.0
62.98542	0.3
70.16556	1.7
71.01385	1.0
71.05048	0.4
72.99325	0.4
73.02960	0.4
75.00903	0.4
79.95759	1.0
80.96527	0.4
85.02957	1.6
87.00908	0.5
89.02415	0.4
95.95244	0.5
96.96020	9.2
101.02451	1.2
111.08205	0.4
113.02444	0.5
122.01916	0.4
138.15941	0.3
141.63280	0.3
179.07941	0.3
241.00320	2.1
253.14447	0.8
283.19177	0.4
403.63519	0.7
404.13956	0.7
404.20386	0.4
404.65533	0.4
405.11798	0.8
405.16098	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.229
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98336	0.3
59.01373	1.9
59.86861	0.3
61.98831	100.0
66.44284	0.4
70.08864	1.4
70.09279	0.6
79.95762	0.6
85.02972	0.8
88.46380	0.4
91.34781	0.4
96.96022	2.8
98.20644	0.4
137.03561	0.4
211.13344	0.6
405.15103	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.1
61.98837	0.7
67.29366	0.3
69.68154	2.2
71.01380	2.0
72.99329	0.3
73.02958	0.8
79.95737	2.7
80.96523	2.5
85.02960	2.0
87.00871	1.0
89.02455	0.3
96.96020	100.0
98.19875	0.6
99.00908	0.6
101.02449	1.0
103.00388	0.4
111.00949	0.3
113.02457	0.7
119.05043	4.1
122.97615	0.5
125.02454	0.3
133.06592	0.6
138.97093	7.1
143.03535	0.4
143.05225	0.4
150.97096	1.3
163.04010	3.1
164.98622	0.9
168.98143	0.4
170.08289	0.4
178.05209	0.3
180.98114	1.2
191.02013	0.4
191.71754	0.3
205.05078	0.5
209.03004	0.5
222.99150	1.4
235.06155	0.4
241.00226	25.7
242.00529	0.9
301.10922	0.3
308.41904	0.3
319.12030	0.8
325.09137	0.5
361.13199	0.4
405.04962	60.2
406.05338	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	405.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.7
68.08240	0.3
71.01379	1.6
71.27033	0.4
71.27365	0.5
73.02937	0.4
79.00314	0.3
79.95735	2.7
80.96516	2.7
85.02959	0.8
86.38071	0.3
87.00893	0.8
95.95262	0.6
96.96022	100.0
101.02444	0.9
113.02457	0.4
119.05043	4.7
122.97571	0.5
133.06596	0.7
138.97092	7.8
143.03439	0.4
150.97014	0.9
163.04048	3.3
164.98712	0.8
168.98149	0.9
179.74214	0.3
180.98141	0.8
205.05016	0.4
222.99216	1.3
241.00238	27.9
242.00504	1.2
297.23691	0.3
325.09119	0.3
351.98224	0.3
405.04971	58.6
406.05304	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	403.1281
Annotation	FPR A14
Peak:m/z	Relative Intensity
55.01869	1.3
55.97900	0.4
57.03434	1.5
58.00600	0.5
59.01376	14.1
60.01718	0.5
61.98818	1.4
69.03455	0.7
70.07252	1.1
70.07661	0.6
71.01385	7.9
72.99301	1.1
73.02952	2.4
75.00888	1.0
78.22417	0.4
79.95747	3.4
80.96527	2.7
83.01379	2.1
85.02957	5.5
87.00897	1.7
89.02452	1.8
91.30240	0.3
95.01399	0.7
95.95243	0.9
96.96018	100.0
97.95952	0.6
98.20682	0.3
98.95006	0.4
98.95605	3.3
98.96426	0.6
99.00902	1.0
101.02445	6.7
111.00880	0.4
113.02461	2.9
119.03539	0.5
122.97602	1.1
129.01944	0.5
132.04550	0.5
138.05669	1.2
138.97107	1.3
139.06001	0.6
140.96648	0.4
143.03461	0.4
150.97070	2.1
154.99826	1.6
160.04086	0.8
161.04570	0.6
164.98663	0.9
165.20634	0.3
167.10739	0.3
179.10709	0.4
180.98146	1.5
188.03539	0.9
191.01979	0.4
192.06694	0.4
197.11813	0.4
197.15497	0.6
198.99203	0.6
215.09280	1.1
220.06102	3.0
223.09752	0.6
239.11884	0.5
241.00206	4.7
241.10838	0.8
256.99832	0.6
260.86111	0.3
271.15591	0.8
275.84979	0.3
278.07364	0.9
283.10968	0.4
327.09732	0.5
343.17670	0.4
371.08966	0.5
389.04276	0.6
403.12854	86.0
403.19693	16.5
404.08487	1.4
404.13159	8.7
404.20068	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	4.2
55.80851	0.4
55.87969	0.3
57.03454	2.5
58.00575	1.2
59.01381	29.5
60.01711	0.5
61.18673	0.4
61.63265	0.4
61.98821	0.6
68.90978	0.4
69.03448	0.9
69.90530	1.5
69.90965	1.4
71.01384	25.4
72.20791	0.4
72.99312	2.6
73.02952	10.8
75.00882	1.0
79.95747	3.4
80.96530	1.7
83.01392	7.3
85.02959	15.9
86.00133	1.3
87.00892	1.5
89.02442	5.4
94.98255	0.4
95.01400	2.5
95.95264	1.0
96.96021	97.8
97.02985	0.6
97.35007	0.4
98.60197	0.4
98.95607	1.3
98.96381	0.5
99.00893	3.5
101.02455	24.8
102.02799	0.5
103.12488	0.4
111.00867	0.9
113.02460	9.3
119.03526	1.5
122.97601	1.5
125.02419	0.5
129.01909	0.8
137.09799	0.5
138.97096	2.1
143.03447	0.6
150.97084	2.0
159.03009	0.6
161.04561	1.6
164.98633	0.6
166.09550	0.4
177.04079	1.0
180.98131	1.2
197.15500	1.4
198.99100	0.5
204.57193	0.6
218.40744	0.4
220.06168	1.5
223.09839	0.9
241.00227	3.9
241.10716	1.1
242.00420	0.5
249.97520	0.4
256.99710	8.3
278.07397	0.5
283.11115	0.6
327.09958	0.9
335.78601	0.4
359.12561	0.5
371.08884	0.6
397.42554	0.5
403.12839	92.7
403.19720	100.0
404.08557	1.2
404.13177	9.7
404.20047	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92763	0.3
57.03435	1.7
59.01088	0.6
59.01378	8.3
61.34951	0.3
61.98825	3.8
69.37878	1.7
69.38318	2.1
71.01384	4.2
72.99315	0.8
73.02952	1.3
74.05629	0.3
75.00875	3.2
79.95744	18.2
80.96517	1.1
83.01367	0.5
85.02957	6.1
87.00887	1.0
89.02459	1.0
95.95241	38.2
96.96021	100.0
98.95611	1.5
99.00893	0.8
99.04526	0.7
101.02464	2.1
103.00422	0.4
111.00874	0.6
113.02447	1.0
119.05078	0.3
122.97571	0.6
123.49506	0.3
125.02449	0.4
128.03548	0.5
129.01953	1.7
138.97096	2.9
141.01912	0.3
141.95815	1.4
145.06171	0.4
147.03043	0.5
149.02388	0.4
150.03238	0.7
150.97089	3.0
151.02298	0.3
151.97926	0.4
152.98663	1.2
159.03001	0.8
161.04480	0.4
165.05612	0.9
167.00179	0.9
168.98149	1.5
177.02504	0.7
177.04062	14.8
178.04445	0.5
179.78064	0.4
180.98250	0.7
181.12378	1.3
182.99727	2.9
183.10297	1.3
191.01923	2.0
194.99747	1.1
195.06619	0.8
197.01131	0.4
209.10880	0.3
213.00763	3.2
222.99278	0.3
225.00812	1.9
225.11340	0.4
239.99513	0.4
241.00208	3.7
242.01088	0.7
243.12398	0.7
256.99716	66.8
257.99927	3.5
318.20212	0.5
329.05505	1.8
329.11404	0.5
341.09015	1.3
343.06982	4.2
344.07443	0.6
361.18729	0.7
404.08704	9.2
404.14911	1.7
405.08691	8.4
405.17029	3.0
405.20911	0.6
405.25809	0.5
407.92361	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86735	0.7
51.44091	0.6
57.03446	3.6
59.01101	1.3
59.01379	20.7
61.98832	4.7
65.84490	0.7
70.75420	0.6
71.01374	7.3
71.73286	1.6
73.02958	4.5
75.00861	2.1
79.95737	8.5
80.05041	1.8
80.96524	1.9
81.42629	0.7
83.01366	1.2
85.02951	8.7
87.00898	3.0
89.02453	2.1
95.03802	0.9
95.05037	0.7
95.95245	13.5
96.96019	58.9
97.95928	0.9
98.95600	7.8
98.96430	2.1
99.00883	1.3
99.04443	0.7
101.02447	3.0
104.05135	1.0
108.04593	1.1
113.02469	2.1
119.03551	0.9
120.01283	1.0
120.04565	1.0
120.99635	1.2
122.06142	6.0
124.07690	1.8
129.01961	1.8
130.03044	1.5
130.08762	0.8
131.03574	0.9
132.03661	1.4
132.04572	15.5
135.04440	0.9
138.97128	1.8
141.09351	0.8
141.95821	1.0
146.06126	1.4
147.03329	3.5
148.04131	1.5
150.05621	2.9
150.97014	1.0
152.98662	1.0
158.02502	6.1
160.04073	9.9
161.04642	1.4
162.05611	2.2
172.11356	0.8
174.05611	1.5
175.02657	1.3
176.03568	9.7
176.07166	3.8
177.04047	3.3
179.05673	0.7
180.98158	1.0
181.12267	1.3
182.99641	1.3
183.09230	1.3
184.06306	1.1
184.07736	1.7
186.14438	0.8
187.09752	0.8
189.16264	0.7
190.05101	14.6
191.02010	1.1
191.05704	0.9
192.06711	1.0
193.05042	1.0
198.04300	1.8
198.99088	0.8
199.13503	0.9
204.03055	1.5
209.07286	1.9
211.08658	1.2
211.12329	4.3
212.05925	2.3
212.10785	2.8
213.00883	1.0
213.06738	1.3
215.11842	4.8
220.02435	1.3
223.04817	1.1
223.08765	2.7
224.07362	1.5
224.09497	10.4
225.06551	2.3
226.07451	2.6
227.08276	6.4
234.04079	1.9
238.08780	1.1
239.04716	1.4
239.08260	2.5
239.11877	22.7
240.08578	1.0
240.10609	6.0
240.12437	1.3
241.00346	3.3
241.09749	10.6
250.07414	2.1
252.05353	0.9
253.06151	17.0
254.06801	3.5
255.07770	4.2
255.11414	6.2
256.08389	1.2
256.99698	12.5
265.09747	3.3
266.08118	1.2
267.07678	6.8
268.08502	10.6
269.08850	1.0
270.01718	2.7
270.06375	0.8
271.15494	1.1
281.09296	6.8
283.10873	59.6
284.11163	4.6
287.10452	1.1
299.10190	1.0
299.18680	2.5
309.05307	1.3
309.08801	19.6
310.09103	2.4
315.04037	0.9
315.13516	2.2
316.95380	1.0
317.19736	7.0
327.09860	47.9
328.10208	4.2
329.05481	7.6
341.11441	2.6
353.07693	2.8
359.12711	3.8
359.20728	3.6
361.22302	0.9
371.08841	53.4
372.09277	6.8
402.94452	4.3
403.11420	100.0
403.23279	3.8
404.12244	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	403.0553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.5
57.03443	2.2
59.01095	0.9
59.01381	15.0
61.98822	2.9
64.32671	0.4
68.40781	0.5
69.81378	0.5
70.58504	1.7
70.58863	0.9
71.01396	2.6
72.99339	0.9
73.02956	0.7
75.00877	1.0
79.39069	0.4
79.95737	4.4
80.96523	2.4
83.01378	1.5
84.02181	0.8
85.02959	24.2
86.03276	0.5
87.00878	0.7
89.02451	0.9
96.96024	88.8
97.03008	0.5
97.95978	0.5
98.19927	0.6
101.02444	2.8
103.00384	8.6
111.00871	1.4
113.02459	1.2
115.00382	0.5
120.01205	0.8
124.17023	0.5
129.01932	1.8
135.04559	0.7
136.01665	0.9
137.02441	0.6
138.97081	1.4
147.03015	4.0
149.02454	1.1
150.97067	0.6
151.04015	0.7
152.98633	0.8
153.05524	0.5
161.04541	0.5
164.04800	1.5
164.98630	3.8
179.07127	1.7
180.98190	2.4
191.01988	9.4
192.02208	0.6
198.15562	0.4
209.02997	1.8
241.00238	5.2
259.42404	0.5
299.04333	2.2
317.05472	100.0
318.05798	6.3
359.06534	41.7
359.09985	0.6
360.06921	2.8
360.13763	0.6
385.04437	1.7
403.05444	37.4
403.12585	1.6
404.05884	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	403.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.2
57.03447	0.7
57.53448	0.2
59.01381	4.6
59.69670	0.2
61.98835	1.0
66.61755	0.2
69.03451	0.2
71.01387	2.3
71.72953	0.3
72.99316	0.3
73.02948	0.9
75.00887	0.3
75.05353	0.2
78.39940	0.1
79.95745	4.0
80.96528	1.6
83.01396	0.3
83.05013	0.2
84.08711	0.1
85.02957	4.2
87.00889	0.6
89.02456	0.5
95.95254	2.0
96.96024	100.0
97.02970	0.2
97.95941	0.3
98.83789	0.2
98.95599	0.3
99.00897	0.5
99.31377	0.2
101.02453	1.1
108.02190	0.2
111.00843	0.3
113.02457	0.6
120.60437	0.1
122.97599	0.5
125.02441	0.2
129.01956	0.7
135.04466	0.2
137.09732	0.2
138.97099	4.1
143.03525	0.4
143.32036	0.2
147.03026	0.6
150.97087	1.2
152.98616	0.2
155.77707	0.1
161.04761	0.2
161.06091	1.0
164.98630	0.6
168.98116	0.5
180.98145	0.8
191.01945	1.3
196.99452	0.2
198.99246	0.2
205.03525	0.2
209.03107	0.7
213.00708	0.2
222.99176	0.7
225.00739	0.9
241.00235	10.3
242.00615	0.4
244.64104	0.1
250.86871	0.1
255.16043	0.4
256.99554	0.3
285.13412	0.2
295.10898	0.3
299.18411	0.2
317.19644	0.5
343.21487	0.2
359.20807	0.2
360.09555	0.2
361.22504	0.2
371.12659	0.2
403.07004	57.5
404.07330	6.3
404.11917	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43693	0.4
55.01875	2.0
57.03447	13.8
58.00590	0.5
58.03793	0.5
59.01380	8.9
61.98833	9.6
62.89669	0.5
67.83502	0.4
68.99791	0.5
71.01383	4.7
71.41683	1.0
72.99323	2.2
73.02949	1.3
73.65863	0.4
75.00876	2.4
76.66007	0.4
79.95724	0.5
80.96521	0.6
83.01396	3.3
84.02168	3.4
85.02959	100.0
86.03310	2.3
87.00865	1.9
89.02444	1.5
89.91808	0.4
96.95391	0.6
96.96023	11.7
96.96979	0.5
99.00891	0.7
101.02431	1.6
103.00379	2.2
111.00900	3.7
115.00391	0.8
115.22952	0.5
120.01311	2.5
125.02453	0.6
129.01962	8.9
133.01448	0.8
135.04590	2.9
136.01697	3.2
137.02444	0.8
147.03024	18.6
148.03397	0.4
151.04012	4.3
164.98604	0.6
173.00882	2.1
179.07095	0.8
191.01991	43.9
192.02304	1.6
197.04465	0.5
209.03012	6.8
211.06076	1.7
223.04626	0.8
241.00204	1.2
242.00113	0.5
265.07086	0.7
267.07712	0.9
307.55975	0.5
311.58096	0.5
317.05432	6.9
320.48819	0.5
357.29861	0.5
359.06622	2.7
385.07730	0.5
403.05167	1.4
403.08975	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	402.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.6
57.03440	0.6
58.36867	0.3
59.01379	8.1
61.98841	0.4
68.40128	0.4
69.57613	1.4
69.58042	1.9
71.01390	5.7
72.99297	1.0
73.02944	1.4
76.21268	0.3
79.95741	4.2
80.96517	3.0
83.01391	1.3
83.05007	0.6
85.02951	3.8
87.00893	1.7
89.02445	3.3
95.01489	0.5
95.95229	0.9
96.96020	100.0
97.95950	1.6
98.95603	4.6
98.96436	1.0
99.00888	0.5
101.02435	3.4
102.02796	0.5
113.02473	1.6
119.03519	1.4
120.01254	0.5
120.99612	0.5
122.97610	1.4
129.01923	0.5
138.97119	2.2
148.09424	0.4
150.97061	1.6
153.11568	0.4
154.99831	1.1
160.04099	0.4
161.04613	0.6
164.76634	0.4
164.98575	0.7
175.40462	0.4
179.05618	0.4
180.98145	1.2
186.50383	0.4
191.02007	0.5
198.99229	0.7
211.35202	0.4
220.06178	1.1
223.09674	0.4
241.00240	4.1
241.14311	0.5
242.00635	0.7
256.99799	0.5
283.10855	0.5
313.16211	0.4
327.09924	0.9
329.63486	0.4
371.08795	0.6
387.83667	0.4
401.14816	6.2
401.20538	0.5
401.22018	0.5
402.08630	79.5
402.15103	44.4
403.08963	7.9
403.14786	8.5
403.19986	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	402.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.4
56.19046	0.8
57.03444	6.4
58.03786	0.9
59.01375	14.8
59.06162	0.8
61.98820	4.6
68.99827	1.9
69.03431	1.0
71.01378	16.5
71.23056	0.9
71.71409	1.2
72.06615	0.8
72.99316	6.0
73.02939	5.1
75.00890	2.7
79.95743	3.1
80.96518	1.9
83.01398	3.1
84.02192	1.7
84.86323	0.9
85.02959	58.5
86.03288	7.2
87.00883	32.4
88.01218	6.9
88.98796	0.9
89.02454	3.7
95.95242	1.1
96.96021	84.7
97.02947	1.1
98.95618	1.9
99.00896	2.9
101.02475	7.5
102.55603	0.9
103.00378	1.4
108.04579	6.4
109.02994	1.6
110.41817	1.0
111.00871	4.4
113.02476	5.6
115.00400	1.2
117.01906	1.0
119.05104	1.3
120.01274	1.8
121.02975	2.9
122.97548	1.2
123.00891	3.6
123.04507	1.7
124.01723	1.5
125.02562	1.2
125.03578	3.0
129.01936	6.6
130.02257	1.2
131.03535	1.4
133.01422	1.2
135.04518	3.7
136.01775	1.1
137.02449	4.2
138.03281	2.0
138.97096	4.5
139.03914	1.0
147.03026	6.2
147.04141	1.0
148.03302	1.3
149.02429	2.6
150.02950	1.5
151.04015	1.9
152.03569	2.9
152.07231	0.9
153.01945	1.0
153.05415	1.1
159.04402	1.0
161.02448	3.6
162.02855	2.5
163.04057	8.6
164.04552	7.4
164.98720	1.1
165.05173	4.9
166.02731	4.0
166.05934	1.6
166.24585	0.9
167.03081	1.2
176.04738	4.0
177.05179	3.9
178.02353	1.6
178.06375	5.5
179.03487	4.0
179.07021	14.3
180.03868	3.5
180.07523	10.2
181.05083	5.0
182.05414	3.5
188.04407	1.4
191.01988	18.8
191.03502	3.4
191.07048	1.7
192.02382	1.8
192.03928	8.3
192.07513	3.4
193.05103	5.0
194.05554	5.4
194.08934	1.5
195.06210	3.4
197.04608	1.6
198.99150	1.4
203.03493	2.3
204.03918	3.3
205.04971	2.6
206.03842	1.9
206.05627	4.3
207.02849	1.1
207.06314	3.2
208.01289	1.0
208.07005	2.0
209.03030	12.8
209.08206	2.1
210.03360	3.5
210.08549	4.8
211.06119	1.6
219.03098	1.4
219.06252	2.7
220.03294	1.8
221.04480	2.2
221.08177	2.5
222.05034	1.4
222.08473	2.9
225.05087	1.5
228.32379	1.1
235.05742	2.3
236.06470	1.0
237.07404	1.9
238.08015	1.9
239.05118	0.9
241.00327	6.5
247.02399	1.2
248.02802	3.0
248.06345	1.4
249.06218	2.9
250.08046	2.5
252.09496	1.5
262.04709	2.1
262.07910	1.2
263.05081	6.4
265.07135	10.6
266.07504	27.9
267.07483	3.8
277.07169	5.0
278.07520	16.7
279.07578	1.9
295.08292	9.6
296.08578	41.3
297.08929	2.8
317.05453	3.3
326.09686	1.7
338.09650	1.4
342.11276	1.8
356.10669	13.5
357.10852	1.7
359.06421	2.4
384.10190	7.1
402.03516	1.5
402.11246	82.3
403.12827	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.7
58.00585	2.7
59.01380	62.3
67.61335	1.3
70.56216	1.3
71.01385	47.5
72.99323	2.8
73.02938	2.1
74.99123	1.5
85.02963	17.3
87.00874	13.5
89.02454	58.0
96.96021	2.8
101.02461	20.4
113.02458	16.2
119.03526	17.9
122.37617	1.3
124.78827	1.4
125.02456	1.9
129.01949	2.3
131.03566	2.5
138.03273	1.2
143.03497	4.0
147.02975	1.9
149.04587	2.2
161.04565	4.4
164.04726	1.6
179.05659	23.2
179.07162	3.9
191.01944	5.4
191.03529	2.5
194.05864	1.4
197.04530	2.7
201.05760	1.6
205.03452	1.4
209.03050	10.0
209.06573	3.3
209.08315	1.7
265.07132	8.7
295.08252	4.1
302.39182	1.3
325.09344	1.6
327.34409	1.3
341.10913	100.0
342.11304	6.8
355.10181	2.1
358.51968	1.6
401.11057	16.9
402.11380	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1489
Annotation	Dehydromacrostomine
Peak:m/z	Relative Intensity
55.01865	0.6
57.03439	0.6
57.43505	0.2
58.00592	0.2
58.93278	0.2
59.01097	0.3
59.01380	5.1
67.95985	0.2
71.01382	4.5
71.72666	0.4
72.99304	0.5
73.02956	1.7
74.42037	0.2
75.74533	0.2
79.95751	1.6
80.96532	1.9
83.01385	1.2
85.02959	3.1
87.00877	0.7
89.02456	1.1
95.01408	0.3
95.95274	0.6
96.96021	69.6
97.02990	0.2
97.95962	0.3
98.95605	1.2
98.96401	0.2
99.00900	0.8
101.02453	4.5
105.96677	0.2
107.76681	0.2
111.89738	0.2
112.09306	0.2
113.02467	1.8
119.03489	0.3
122.97598	1.2
129.01942	0.2
134.03769	0.2
134.04713	0.3
138.97098	1.5
143.03569	0.3
149.81094	0.2
150.97125	1.4
161.04597	1.0
164.98663	0.4
180.98148	0.8
198.99249	0.4
239.16493	1.3
241.00259	2.9
341.11011	0.3
345.24243	0.2
375.18512	0.2
401.14865	100.0
401.21317	4.0
402.15204	9.9
402.21973	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07561	0.2
56.48846	0.2
57.03441	0.4
59.01378	2.6
69.58091	2.0
71.01392	1.5
71.01743	0.4
72.24119	0.2
73.02965	0.6
75.00780	0.2
79.19665	0.2
79.95743	2.4
80.96532	1.7
83.01408	0.5
83.15219	0.2
85.02960	1.5
85.58826	0.2
87.00885	0.2
88.18996	0.2
89.02467	0.4
90.47499	0.2
95.95235	0.3
96.96020	71.1
97.96018	0.2
98.95590	1.2
101.02467	1.3
113.02457	0.5
120.99667	0.5
122.97585	1.1
122.99219	0.6
128.09715	0.2
138.97098	1.8
150.97104	1.2
162.69243	0.3
164.98611	0.5
180.98148	1.0
198.99161	0.6
225.02521	0.4
241.00230	3.1
281.06702	0.4
341.10950	0.5
348.16174	0.2
380.04572	0.2
386.10098	0.3
401.14859	100.0
402.15189	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	401.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	5.6
57.03445	5.2
58.00597	1.9
59.01378	42.5
61.98830	0.7
65.14131	0.6
69.03465	1.9
71.01385	55.0
71.18624	1.6
72.01723	0.9
72.55772	0.5
72.99315	2.5
73.02944	19.1
75.00890	1.3
79.95740	3.4
80.96530	1.7
81.45417	0.6
83.01392	14.3
83.05019	0.8
84.02168	0.7
85.02956	32.3
86.00111	2.4
86.03324	1.6
87.00882	2.8
89.02451	9.8
95.01410	4.5
96.96021	65.7
97.02959	2.0
97.06569	0.8
99.00895	7.8
101.02456	45.0
102.02800	1.2
103.00389	2.2
111.00896	2.1
113.02467	17.9
114.02825	0.6
119.03516	2.2
120.01298	0.9
120.99672	1.3
125.02463	2.1
129.01952	2.3
131.03491	1.3
131.36311	0.8
135.04474	0.9
136.05260	0.9
137.02544	0.7
138.97064	3.2
143.03545	2.2
143.28659	0.6
149.09854	0.6
149.30463	0.8
150.97075	0.8
152.98727	0.6
159.02998	2.9
159.10294	4.8
161.03244	1.3
161.04578	24.1
162.04919	1.3
164.98579	0.9
185.01062	0.6
191.02032	0.7
195.06627	1.9
197.70723	0.6
205.03505	1.1
207.10277	2.0
211.13390	4.1
225.05081	0.9
225.59062	0.6
241.00204	4.6
256.99683	1.6
269.10281	53.4
270.10641	3.3
297.06577	0.7
303.14441	1.1
303.63220	0.6
315.07553	29.3
316.07886	2.1
321.15546	13.0
322.15610	0.9
341.10577	0.7
350.32968	0.6
350.50162	0.7
357.08554	12.9
358.09180	1.3
401.07278	4.0
401.11310	36.5
401.18182	100.0
402.11398	3.7
402.18631	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	401.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28308	0.5
55.01875	4.2
57.03447	2.5
58.00597	1.3
59.01381	25.3
60.38097	0.4
61.98820	0.6
69.03437	0.9
70.89010	1.6
71.01386	28.3
72.01709	0.7
72.99319	2.0
73.02948	9.8
75.00857	0.5
79.42284	0.4
79.95751	3.5
80.96537	2.3
83.01393	5.7
85.02452	0.9
85.02961	17.6
86.00098	1.0
86.03280	0.9
87.00882	2.5
89.02447	4.9
95.01395	2.7
95.95254	0.5
96.96024	86.2
97.02962	0.9
99.00905	4.2
101.02459	22.9
102.02769	0.7
103.00385	0.9
110.03931	0.4
111.00894	1.2
113.02466	10.4
113.09727	0.6
119.03500	1.6
120.99694	0.7
122.97609	0.9
125.02471	1.0
129.01945	1.6
138.97089	4.2
140.89656	0.5
141.09247	0.9
143.03534	1.4
145.10271	0.8
149.04555	0.7
150.97073	1.1
159.02982	1.6
159.10286	15.5
160.10606	0.7
160.14348	0.6
161.04573	10.5
164.98784	0.6
165.09201	0.7
165.12915	0.5
168.77660	0.4
172.14690	0.5
195.06606	0.6
207.10272	3.1
211.13408	2.0
222.99310	0.6
223.04939	0.5
241.00258	7.4
256.99792	1.2
269.10306	21.9
270.10666	1.6
297.06616	0.5
303.14542	1.6
315.07541	15.1
316.07648	1.2
321.15561	32.2
322.15927	3.4
357.08618	6.7
401.11234	100.0
401.18149	46.7
402.11597	10.5
402.18491	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	401.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.7
58.00585	2.7
59.01380	62.3
67.61335	1.3
70.56216	1.3
71.01385	47.5
72.99323	2.8
73.02938	2.1
74.99123	1.5
85.02963	17.3
87.00874	13.5
89.02454	58.0
96.96021	2.8
101.02461	20.4
113.02458	16.2
119.03526	17.9
122.37617	1.3
124.78827	1.4
125.02456	1.9
129.01949	2.3
131.03566	2.5
138.03273	1.2
143.03497	4.0
147.02975	1.9
149.04587	2.2
161.04565	4.4
164.04726	1.6
179.05659	23.2
179.07162	3.9
191.01944	5.4
191.03529	2.5
194.05864	1.4
197.04530	2.7
201.05760	1.6
205.03452	1.4
209.03050	10.0
209.06573	3.3
209.08315	1.7
265.07132	8.7
295.08252	4.1
302.39182	1.3
325.09344	1.6
327.34409	1.3
341.10913	100.0
342.11304	6.8
355.10181	2.1
358.51968	1.6
401.11057	16.9
402.11380	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	399.1695
Annotation	JWH 200 7-hydroxyindole metabolite
Peak:m/z	Relative Intensity
51.38847	0.3
56.33564	0.4
57.03442	1.8
59.01378	2.1
61.98820	1.2
71.01382	1.4
71.65079	0.8
72.99333	0.5
73.02954	0.7
79.95746	3.2
80.96512	2.5
83.01399	1.0
85.02959	7.6
87.00899	0.5
96.96019	100.0
99.00832	0.5
101.02446	2.7
111.00896	1.7
113.02463	0.5
122.97574	0.6
125.02481	0.5
129.01932	2.8
134.03706	1.0
138.97046	1.5
146.35027	0.5
150.97107	1.1
152.98711	0.6
156.26355	0.4
161.04742	0.4
180.98134	2.8
182.69662	0.4
193.05014	0.7
198.00763	0.4
205.03537	3.1
223.04573	3.8
240.45184	0.4
241.00243	8.4
295.11591	0.4
325.20609	0.5
399.16934	99.8
400.17273	10.6
400.22592	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1695
Annotation	JWH 200 7-hydroxyindole metabolite
Peak:m/z	Relative Intensity
57.03441	0.7
59.01380	1.9
59.35373	0.2
61.98833	1.1
65.72174	0.3
70.59898	1.0
71.01396	1.7
72.99301	0.6
73.02928	0.8
73.21563	0.2
74.16491	0.2
74.40901	0.3
79.95736	3.2
80.91634	0.2
80.96529	2.8
83.01392	0.7
85.02962	3.8
87.00869	0.7
89.02445	0.3
96.96022	91.1
97.95964	0.6
101.02495	1.3
108.02151	0.3
109.67551	0.2
111.00890	1.1
113.02444	0.7
119.18411	0.3
121.03005	0.3
122.97567	0.9
124.07880	0.2
125.02446	0.4
129.01981	2.0
134.03757	0.5
138.97096	5.1
150.97096	1.1
164.98676	0.8
173.48611	0.3
180.98148	1.0
193.05095	0.3
205.03548	1.3
205.49489	0.3
214.35544	0.3
222.99127	0.6
223.04604	1.7
241.00240	5.8
242.00471	0.3
265.11487	0.3
376.98810	0.3
399.16949	100.0
400.17249	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	401.0372
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09143	0.2
57.03441	0.8
58.99603	3.8
59.01378	7.2
60.97522	0.8
61.98830	1.7
69.03448	0.5
71.01380	2.7
71.73257	0.4
72.97538	0.9
72.99306	0.5
73.01173	1.4
73.02946	0.8
73.98325	0.3
74.02483	0.6
75.00874	0.9
76.95258	0.6
79.95749	1.5
80.96518	0.4
81.95318	0.2
83.01411	0.4
83.05061	0.2
85.02956	4.3
87.00879	2.9
88.97054	0.7
89.02441	1.4
90.98599	100.0
91.98966	1.0
92.98387	21.1
93.03474	0.3
93.51344	0.2
95.01360	0.2
95.95231	1.0
96.96021	11.3
98.95600	1.4
99.00898	0.5
99.04516	0.6
101.02453	1.0
102.98608	6.7
111.00866	0.3
111.17007	0.2
113.02451	1.0
114.02852	0.2
117.00177	2.2
117.03439	0.4
118.05114	0.3
118.96334	2.3
120.99671	3.5
129.01976	0.5
129.05586	0.3
134.03758	3.4
135.04065	0.2
136.97388	7.9
138.97020	0.4
143.03493	0.3
147.03000	0.3
149.06091	0.5
160.01666	1.5
162.98944	1.3
164.96823	0.2
170.06438	0.2
175.04036	2.0
178.02794	0.4
179.05605	0.2
180.99986	1.7
182.35428	0.2
191.02005	0.8
191.07118	0.4
193.05070	1.9
194.05368	0.2
204.33537	0.2
206.97929	1.8
209.02998	1.1
209.11853	0.3
219.06625	0.3
224.98969	94.2
225.99266	3.9
233.07732	0.3
238.27356	0.2
241.00220	0.5
249.06190	0.3
254.99956	0.3
256.99722	0.6
269.13953	2.2
269.17059	0.3
275.10345	0.2
276.11206	0.8
278.15417	0.3
341.10864	1.5
359.20511	0.2
379.11444	0.2
392.13577	0.2
400.63998	1.4
401.03287	0.3
401.07837	0.7
401.14819	4.3
401.64566	0.3
402.13181	0.4
402.20932	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.133
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83987	0.2
57.03442	0.3
59.01382	2.3
62.50908	0.2
64.86880	0.2
69.71329	1.6
71.01387	2.3
72.99335	0.4
73.01158	0.4
73.02946	0.9
75.00886	0.2
79.95737	1.4
80.96530	1.2
83.01389	0.8
85.02953	3.3
86.26520	0.2
88.04015	0.2
89.02439	0.6
95.95290	0.3
96.96021	52.4
98.95591	0.2
99.00893	0.2
101.02464	1.8
102.98621	0.4
106.56316	0.2
106.57075	0.2
111.00889	0.7
112.42610	0.2
113.02458	0.8
120.99661	1.5
122.97584	0.5
129.01962	0.9
134.03777	1.1
135.01187	0.4
136.92020	0.2
138.97075	1.3
143.03426	0.3
150.21654	0.2
150.97073	1.2
152.98613	0.3
161.04538	0.7
164.98651	0.5
168.98146	0.2
175.04066	0.2
180.98083	0.9
181.32962	0.2
191.01878	0.4
193.05113	1.4
198.99222	0.7
205.03497	0.4
209.02975	0.2
218.03084	0.2
223.02777	1.0
223.04643	0.8
226.99565	0.2
241.00253	4.9
244.58406	0.2
251.11284	1.9
251.13248	0.2
259.01379	0.4
265.36227	0.2
399.13290	100.0
400.13593	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	399.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.9
57.03444	4.8
57.50565	0.6
59.01378	98.8
60.01710	1.7
61.98817	1.0
69.03457	2.5
71.01385	9.3
71.05032	1.4
71.73888	1.0
72.99323	1.0
73.02944	4.7
75.00869	2.0
77.76988	0.6
78.95943	0.7
79.95741	3.9
80.96535	0.8
81.03465	0.9
83.01404	1.6
83.05051	1.2
84.02164	1.1
85.02959	20.3
87.00866	4.2
89.02451	21.8
93.45547	0.7
95.95232	1.0
96.96023	47.3
99.00877	1.7
101.02453	4.0
103.04014	1.5
107.81344	0.7
111.00905	3.9
113.02474	4.4
115.00431	0.8
120.99656	0.8
125.02459	2.3
129.01964	7.1
131.03529	6.1
134.03757	2.3
135.04604	1.3
138.97101	1.8
147.02977	0.9
149.04573	100.0
150.04938	2.6
157.06593	2.5
161.04620	1.3
161.09766	0.7
161.13371	2.0
163.11288	1.3
185.00949	0.8
189.97205	0.7
190.62231	0.7
191.01944	0.9
193.05034	1.3
198.98941	0.7
205.01810	1.1
205.03497	6.0
205.12328	1.0
207.10248	1.4
216.13515	0.7
223.02711	1.1
223.04626	7.7
223.13400	83.5
224.13789	7.1
241.00240	7.9
267.12347	18.7
267.15918	4.4
281.14026	0.9
303.85342	0.7
399.07474	11.5
399.12585	4.9
399.17273	16.3
400.08664	1.1
400.13901	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	399.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.0
59.01379	78.4
60.01712	0.7
62.29962	0.3
65.74538	0.4
69.03463	0.5
70.88337	0.7
70.88669	0.4
71.01383	4.5
71.05037	0.6
72.99298	0.5
73.02946	3.7
79.95750	0.5
83.01380	0.6
83.05016	0.3
85.02960	4.7
87.00893	3.1
89.02453	20.9
90.02797	0.4
95.95255	0.5
96.96027	4.7
101.02457	1.0
103.04028	1.3
106.57236	0.3
111.00892	1.1
113.02463	0.6
129.01965	1.5
131.03522	6.4
131.17310	0.3
134.03770	0.8
147.03047	0.4
149.04573	100.0
150.04912	3.0
161.13393	1.0
163.11278	0.7
193.05116	0.4
200.84418	0.4
205.03568	1.5
205.12407	0.5
207.10289	0.6
223.04747	2.0
223.13400	62.1
224.13753	5.0
233.76552	0.3
267.12350	8.0
268.12714	0.4
270.45874	0.3
346.47882	0.4
399.16681	16.9
400.17487	2.1
420.22495	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	5.0
57.03448	19.9
59.01375	1.8
60.26060	0.6
63.83648	0.8
67.01894	0.9
68.99802	1.2
70.21815	3.5
71.01382	5.6
72.42659	0.6
72.99300	1.0
73.02959	1.9
74.16107	0.7
75.00868	2.0
83.01393	10.0
84.02169	2.6
85.02959	100.0
86.03289	1.7
86.12844	0.7
95.79269	0.7
96.96044	0.9
101.02467	3.6
111.00896	31.4
111.01665	1.6
117.03494	2.2
119.51682	0.6
120.12189	0.7
124.33241	0.7
129.01958	45.2
130.02319	1.0
134.03757	19.7
137.02463	1.0
143.03484	1.6
147.03003	1.1
149.06148	0.9
161.04544	2.4
162.57767	0.6
171.58737	0.8
173.00874	1.3
175.04059	1.8
178.02718	1.9
182.47441	0.7
187.02545	2.0
191.02058	1.1
193.03346	1.0
193.05069	17.5
194.05461	0.9
205.03539	26.6
206.03847	1.7
223.04611	22.1
244.70662	0.7
260.37579	0.7
399.09152	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.6
57.03450	3.5
59.01374	6.8
63.35468	0.4
69.03448	1.7
71.01384	6.1
71.72915	0.7
72.99312	1.3
73.01160	0.5
73.02949	1.8
73.89047	0.4
75.00874	0.9
79.95748	3.6
79.96173	0.6
80.96529	1.9
83.01394	5.4
85.02956	17.4
86.03312	0.6
87.00871	1.7
89.02443	1.5
95.95255	1.4
96.96021	81.4
97.02955	0.8
99.00891	1.7
101.02451	2.9
111.00893	5.4
113.02459	1.7
117.03492	2.2
120.99677	1.8
122.97598	1.5
125.02407	0.8
129.01961	6.7
134.03760	18.8
134.04671	0.7
135.04099	0.8
138.97079	2.1
143.03523	2.1
144.23029	0.4
145.05305	0.4
146.06129	0.4
147.00446	0.4
147.03026	0.9
149.06078	1.5
150.97028	1.1
159.03142	0.5
160.04079	1.3
161.04576	2.6
164.98598	0.6
173.00926	2.0
175.04129	0.9
177.04152	0.7
178.02785	1.3
180.98169	0.8
185.00929	1.9
189.04309	1.7
191.01976	2.9
191.05717	1.4
193.05087	21.2
194.05440	1.0
198.99213	0.5
205.03575	2.9
223.02803	0.8
223.04620	7.7
241.00235	4.8
251.11360	4.9
255.11275	0.5
267.11520	0.6
299.10431	0.6
311.10388	0.8
323.07642	0.5
329.11154	0.6
331.13083	0.5
343.13013	2.3
361.14017	3.4
399.13309	100.0
400.13574	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	4.0
57.03181	1.1
57.03449	16.6
59.01372	2.8
59.45053	0.6
60.38065	0.5
63.65171	0.5
67.01885	1.1
67.35014	0.5
69.03451	1.3
70.81044	1.9
71.01037	0.9
71.01390	8.2
72.99316	14.0
73.02959	2.3
75.00885	4.4
81.02988	0.8
81.03465	12.8
83.01395	8.6
84.02173	2.2
85.02959	100.0
86.03296	1.7
87.00895	1.9
96.96038	1.9
97.03003	0.7
99.00890	10.7
101.02473	4.8
103.05345	0.5
110.66393	0.6
111.00894	25.1
112.01196	0.7
113.02480	3.0
117.01947	1.7
117.03477	0.8
120.01315	1.3
125.02460	37.2
126.02812	1.4
128.56424	0.5
129.01961	45.0
130.02272	1.4
131.03519	1.5
133.05223	0.6
134.03757	12.8
135.04190	0.6
143.03543	5.1
147.03020	4.5
149.06053	0.8
159.03040	1.1
161.04573	3.6
165.05592	0.9
169.01479	1.5
177.04066	0.8
177.57277	0.5
178.02756	0.8
179.05533	0.8
180.51193	0.6
187.02516	2.2
191.01993	2.5
193.05077	7.2
194.05437	0.8
205.03543	81.2
206.03841	3.2
209.03091	0.8
223.04593	42.1
224.04915	2.0
317.20593	0.6
321.09970	0.6
396.02551	0.6
399.09283	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	399.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.8
56.58707	1.0
57.03182	1.6
57.03448	19.0
58.16586	0.8
59.01372	1.7
63.89103	0.8
65.28748	0.8
67.01897	1.4
68.82756	0.9
71.01386	5.6
71.48760	0.9
71.49092	1.5
72.99322	2.4
73.02959	2.4
75.00877	1.8
77.93194	0.8
81.03470	1.5
83.01387	9.2
84.02164	2.6
85.02956	100.0
86.03296	1.9
86.21043	0.8
96.96031	2.5
99.00891	1.2
101.02455	4.8
111.00894	28.5
111.01665	1.7
121.68330	0.9
125.02453	3.1
129.01956	50.2
132.74556	0.8
134.03755	12.4
147.02956	1.6
149.06126	1.5
161.04570	3.4
187.02496	2.9
193.05112	7.7
194.05399	1.0
205.03535	35.1
206.03853	2.1
223.04584	28.7
224.05049	1.0
331.08749	0.9
349.18845	0.9
399.09399	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	399.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.9
57.03445	18.0
58.57727	0.6
59.01379	5.3
61.98828	3.6
67.01874	0.8
68.99824	0.6
70.06133	3.5
71.01385	7.5
72.99316	2.2
73.02950	2.9
75.00867	3.1
83.01389	8.6
84.02166	2.2
85.02956	92.2
86.03301	2.6
87.00877	1.6
89.02471	0.8
99.00833	0.7
101.02452	8.0
103.04048	1.6
111.00890	37.9
112.01254	1.4
129.01958	35.5
134.03751	11.5
143.03452	0.7
147.02989	3.7
149.06180	0.8
161.04555	2.9
185.06145	0.6
187.02481	2.8
193.05069	4.0
205.03542	37.1
206.03853	1.3
223.04587	100.0
224.04968	3.8
226.84401	0.7
231.08078	0.7
335.57138	0.7
399.09384	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	4.1
57.03186	1.1
57.03447	14.4
59.01369	3.7
68.62144	0.6
69.49686	6.9
71.01382	7.8
72.99310	2.1
73.02933	1.5
75.00859	2.8
80.37370	0.7
83.01389	9.8
84.02169	2.3
85.02956	74.2
86.03311	1.7
87.00891	1.5
96.96017	7.0
101.02483	6.7
110.94223	0.7
111.00893	29.1
112.01242	1.2
125.02502	0.8
129.01958	31.7
130.02283	0.9
134.03763	15.2
143.03485	1.8
147.03004	3.1
149.06119	0.7
161.04610	1.7
168.83658	0.7
173.00897	1.4
187.02452	2.1
191.01959	1.7
193.05045	7.7
194.05417	0.6
205.03543	30.7
206.03822	1.9
223.04585	100.0
224.04909	5.0
234.07851	0.8
351.60840	0.7
399.13364	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3323
Annotation	Lauroyl peroxide
Peak:m/z	Relative Intensity
55.79031	0.9
57.03435	0.9
58.48111	0.9
61.31538	0.8
61.98830	1.9
65.66040	0.9
69.63987	6.8
69.99087	1.0
72.76205	0.8
76.99462	0.8
81.25180	1.0
96.96014	2.9
98.19857	1.0
123.14846	0.9
127.86821	0.9
153.27751	0.9
169.43655	0.9
173.16644	0.9
232.54457	1.0
299.61844	0.9
335.33194	57.8
336.33606	8.0
353.34055	1.3
379.32227	13.0
380.32526	1.5
397.22586	3.3
397.33240	100.0
398.33557	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	399.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	9.6
57.03452	11.5
59.01377	15.4
65.00337	1.5
68.99799	1.5
69.91345	3.7
69.91754	2.8
71.01388	40.1
72.99318	11.7
73.01175	1.1
73.02960	2.5
75.00879	2.9
79.95773	2.4
80.96543	1.3
83.01398	32.5
85.02960	80.1
86.03302	1.7
87.00857	2.4
89.02486	5.5
89.03970	2.1
96.96022	61.3
98.20641	1.5
99.00900	3.7
101.02469	3.8
102.98634	1.2
103.00410	1.1
108.58746	1.0
111.00893	25.5
115.00390	8.2
115.04044	1.5
117.01958	1.3
117.03478	8.6
120.99692	4.3
125.02475	4.8
129.01958	41.3
133.01436	5.8
134.03760	78.9
135.04128	4.0
137.02475	1.7
138.97090	1.9
143.03513	20.7
147.03003	4.0
149.06087	9.7
154.99875	8.4
160.01701	6.4
161.02432	2.5
162.03227	2.7
172.99429	2.0
173.00931	39.7
173.02376	2.5
175.04048	12.1
178.02708	5.7
187.02515	2.5
191.01981	26.6
193.05077	70.1
194.05429	4.4
205.03510	6.1
207.06714	1.5
215.07185	2.2
218.05869	3.4
223.02766	2.6
223.04607	25.4
224.04802	1.3
233.08183	4.8
241.00247	4.2
251.11403	3.0
260.14240	1.1
261.07632	11.8
349.05688	4.5
367.06805	3.0
399.13315	100.0
400.13736	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	397.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85946	0.6
55.01874	2.2
55.03811	0.6
57.03449	8.4
58.00581	0.7
59.01381	27.0
61.98834	8.9
67.01882	1.6
68.99815	2.8
69.03445	2.3
69.67683	5.4
71.00989	1.4
71.01385	24.5
72.01737	0.6
72.99310	9.8
73.02950	3.1
75.00876	27.3
79.95744	0.7
81.03466	1.2
83.01395	6.9
83.05021	1.0
84.02176	1.1
84.94245	0.6
85.02957	42.2
86.03291	1.0
87.00878	7.6
87.04600	0.6
89.02448	6.0
91.04003	0.9
93.03494	2.1
95.01398	8.8
96.96025	17.7
97.02952	0.8
97.31097	0.6
98.19875	0.8
99.00889	14.0
100.85298	0.7
101.02457	1.7
103.00375	3.9
109.02964	1.4
111.00882	2.9
113.02463	31.6
113.03255	1.6
115.00376	3.2
117.01930	5.2
118.67471	0.6
119.05058	1.6
125.02417	0.9
129.01073	1.3
129.01962	18.8
130.02385	0.6
147.04538	84.9
148.04860	3.8
149.02470	10.1
153.87900	0.6
154.99873	3.2
157.01448	1.6
164.04805	7.0
169.05026	0.9
173.00932	13.6
174.01389	0.7
175.02498	4.4
175.67696	0.7
177.01920	1.0
179.07155	1.3
185.11839	1.7
185.68785	0.7
189.04025	1.3
190.02721	2.9
191.01910	0.7
191.03487	1.0
193.05113	0.7
205.05067	5.3
208.03728	1.0
223.06119	7.5
231.05107	7.2
233.04510	1.0
245.08188	1.0
248.06805	1.1
249.06145	76.1
250.06610	4.1
263.09302	1.7
272.10928	1.1
291.08728	4.2
374.63129	0.7
379.10492	3.1
397.11401	100.0
398.11826	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	397.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	0.5
53.64331	0.5
55.01880	1.7
57.03451	4.3
58.00595	1.2
59.01379	25.7
59.38663	0.5
61.79591	0.5
67.01900	2.0
68.99820	2.5
69.03463	1.7
69.76160	3.5
71.00991	1.1
71.01389	23.2
72.99320	7.1
73.02955	2.5
73.14610	0.5
75.00452	1.3
75.00879	25.0
78.77590	0.5
81.03485	1.2
83.01402	1.3
85.02959	26.4
87.00887	9.2
89.02457	4.6
91.04049	1.1
93.03492	2.1
95.01396	6.3
96.96024	8.5
97.02957	0.5
99.00894	13.5
101.02456	0.8
103.00375	2.8
111.00917	1.3
113.02464	32.3
114.02858	0.6
115.00381	2.5
117.01972	3.8
119.05049	1.2
129.01971	2.3
147.04550	100.0
148.04903	5.6
157.01410	0.6
169.05109	0.6
169.89413	0.6
175.02554	3.9
189.04095	1.4
231.05089	7.4
249.06154	69.6
250.06599	3.6
272.75128	0.5
337.09326	0.7
338.60059	0.6
379.10501	2.6
386.95877	0.7
397.11417	95.1
398.11758	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	397.0779
Annotation	O-Sinapoylglucarolactone
Peak:m/z	Relative Intensity
55.01865	2.3
57.03445	12.8
59.01381	8.0
61.98827	2.2
63.29966	0.4
68.99800	0.9
69.03471	1.1
69.70868	1.8
69.71296	2.3
71.01381	4.9
72.99319	2.0
73.02960	0.8
75.00881	1.1
79.95356	0.6
79.95741	3.6
80.96519	1.6
83.01406	2.3
84.02172	2.6
85.02956	100.0
86.03296	2.3
87.00888	2.0
89.02453	0.6
93.03511	0.8
95.95251	2.5
96.96021	69.3
98.95592	2.3
99.00899	1.4
101.02442	2.0
103.00372	1.8
109.02880	0.6
111.00894	3.5
113.02450	1.1
119.01436	1.0
119.05034	1.4
120.01279	0.7
120.99660	1.3
121.02946	2.8
129.01965	12.7
133.02974	1.4
134.03749	2.9
138.97130	1.4
147.01834	1.2
147.03012	24.4
147.04356	1.0
148.03381	0.8
149.02458	21.8
149.06058	1.3
150.02798	1.6
150.97087	1.5
160.01683	1.0
162.05551	0.8
163.04039	1.5
164.04805	13.9
165.05200	0.8
173.00940	2.5
175.00409	5.4
175.03963	1.1
177.04074	1.3
178.02692	0.8
179.07095	1.5
180.98203	1.0
190.02744	13.5
191.01979	35.5
191.03384	1.7
192.02292	1.3
192.91920	0.5
193.05119	2.8
205.05070	14.4
206.05582	0.8
208.03802	1.1
222.04469	0.7
223.06122	19.1
223.08322	0.9
224.06534	1.5
240.96254	0.6
241.00281	5.2
256.99658	0.5
265.07098	0.6
291.08780	0.7
317.19727	1.0
343.64777	0.6
353.08749	4.6
354.08224	3.8
354.58023	1.3
354.64764	0.5
397.11703	74.3
398.12268	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98905	0.5
54.38073	0.5
59.01369	2.3
61.98823	1.3
65.96210	0.5
69.36048	0.6
70.38651	1.4
70.39050	0.9
71.01368	1.5
114.82451	0.5
117.01988	0.5
135.03001	0.8
174.38315	0.5
277.21707	100.0
278.22015	11.0
298.62878	0.6
395.24316	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35972	0.5
51.60346	0.4
58.39801	0.3
59.01384	3.1
61.98831	100.0
71.01378	0.6
71.28598	0.9
71.28918	0.4
79.95740	0.9
85.02995	0.6
85.44543	0.4
90.28441	0.4
96.96017	6.6
98.95570	0.4
104.34528	0.3
116.03343	0.4
219.19846	0.3
397.15375	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	396.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43047	0.6
59.01376	100.0
60.01717	1.4
61.98827	16.7
69.83021	0.7
69.83350	4.5
71.01418	0.7
75.00878	0.9
96.96039	2.4
97.96053	0.6
103.80656	0.6
185.82227	0.6
219.40540	0.7
266.82407	0.7
334.36731	0.8
396.20801	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66980	0.2
59.01384	1.4
62.21066	0.2
71.01389	2.0
71.50064	0.4
72.99319	0.3
73.02953	0.2
75.00869	0.2
79.95741	15.5
80.96539	1.6
85.02962	0.7
89.02463	0.3
95.01408	0.2
95.95241	25.2
96.96019	66.7
97.02932	0.2
98.20387	0.2
99.00961	0.2
101.02466	0.6
109.96871	0.2
113.02422	0.3
119.27793	0.2
122.97588	1.2
138.97110	2.2
141.95811	0.3
150.97083	5.8
151.97874	3.7
154.85022	0.2
164.98619	0.7
168.98161	0.3
176.98662	0.5
177.04033	1.9
180.98125	0.7
192.41403	0.2
194.99736	0.9
198.99251	0.3
200.03958	0.2
213.00763	0.7
220.43845	0.2
222.99139	2.1
225.00746	0.2
233.15433	0.2
241.00204	5.7
242.00500	0.5
256.99738	3.4
309.06845	0.2
395.13806	100.0
396.14117	11.7
411.48553	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.0
57.03448	100.0
58.03794	1.2
59.01378	95.8
60.01683	1.0
67.22147	0.8
68.20271	0.9
69.66943	2.1
69.67361	4.6
71.01387	26.7
72.99319	1.1
73.02953	9.8
75.00892	1.5
79.95734	2.4
80.96459	0.9
81.03442	1.6
83.01400	3.5
84.18428	0.9
85.02956	15.2
87.00831	0.8
89.02452	5.0
95.01399	1.1
95.95245	2.3
96.96022	27.8
97.02940	1.4
98.20502	1.6
98.95610	1.8
99.00883	4.9
99.04529	82.9
100.04863	2.8
101.02454	44.9
113.02455	12.7
119.03522	2.1
125.02465	35.3
126.02790	1.4
129.01936	1.4
131.07161	1.0
137.12062	0.8
143.03479	4.8
159.03003	2.1
161.04559	18.6
233.10297	3.2
241.00160	3.3
251.11339	58.1
252.11641	3.0
287.53458	0.9
293.12372	15.5
294.12753	1.5
333.15549	3.8
351.16583	1.1
352.11322	1.1
362.04495	0.9
395.10114	29.0
395.15463	12.7
396.10168	3.3
396.15430	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	395.0292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76687	0.3
57.03445	0.8
59.01376	2.2
61.01005	0.4
61.98816	1.0
70.00137	1.7
71.01392	2.9
72.99316	0.6
73.02938	0.8
75.00874	0.3
76.58882	0.3
78.95908	0.3
79.95744	3.6
80.96518	2.5
83.01393	0.6
85.01066	0.4
85.02959	1.3
87.00891	1.1
89.02434	0.6
93.03471	0.4
95.95253	0.5
96.66528	0.3
96.96021	100.0
98.19910	0.4
98.95644	0.5
99.00897	1.0
99.04576	0.4
101.02456	2.3
108.02199	1.3
109.02208	0.6
109.02962	9.7
112.98826	0.7
113.02424	1.5
113.04315	0.3
115.02085	0.3
120.01285	0.4
122.97616	0.7
125.02522	0.4
134.25140	0.3
138.97086	8.6
144.06696	0.6
145.01466	0.4
149.04555	0.4
150.97057	1.3
151.04050	0.3
152.01193	2.1
152.98659	0.5
153.01958	13.9
154.02281	0.5
157.03151	1.3
164.98630	1.3
168.98126	1.1
175.04211	1.1
180.98099	1.1
189.05785	0.5
195.02988	0.4
210.58621	0.3
222.99214	1.6
225.03957	0.4
233.08153	0.6
241.00232	53.7
242.00548	2.2
263.05753	1.0
315.07211	3.9
316.07422	0.4
351.04019	0.4
381.07394	0.3
395.02823	47.0
395.10455	8.5
396.03146	4.3
396.10342	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.3
57.37485	0.3
59.01377	1.3
65.09715	0.3
71.01379	1.3
71.48155	0.3
71.48511	0.3
73.02958	0.5
79.95747	3.5
80.96519	1.8
81.07124	0.3
85.02947	0.7
87.00898	0.9
92.58015	0.2
95.95252	0.8
96.96017	100.0
97.18113	0.2
97.95937	0.4
99.04574	0.3
101.02445	1.3
109.02953	0.4
113.02472	1.0
122.97607	0.8
123.04549	2.1
125.02464	0.4
138.97095	5.0
141.95782	0.2
143.03513	0.6
150.97098	1.0
152.98611	2.1
153.01978	0.5
153.05583	3.7
161.36595	0.3
164.98643	0.7
168.98129	0.4
180.98155	1.5
198.99037	0.4
207.06506	0.3
222.99190	1.0
225.00743	0.4
225.07602	0.3
241.00221	29.8
242.00594	1.3
289.28125	0.3
301.62109	0.3
315.07169	0.4
395.06546	59.6
396.01941	0.5
396.06870	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	394.0451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.5
59.01382	3.0
61.98836	0.3
66.20636	0.3
71.01387	2.4
71.27863	0.4
72.99294	0.4
73.02952	0.7
75.00861	0.4
79.95737	3.7
80.96529	2.9
83.01401	0.3
85.02943	1.9
86.50308	0.3
87.00871	0.8
88.04060	0.3
89.02448	0.3
95.95299	0.5
96.96020	100.0
97.02927	0.3
97.95942	0.3
99.00879	0.5
101.02462	1.4
113.02461	0.9
119.05045	0.3
120.01275	0.3
122.03719	1.5
122.97556	0.5
125.02457	0.4
132.03020	0.3
138.97096	8.7
143.03488	0.4
150.97060	1.5
152.03551	14.0
152.98502	0.2
153.03903	0.7
156.61772	0.2
164.98624	0.8
168.98122	0.4
180.98143	1.0
197.11824	0.4
222.99174	2.2
241.00233	52.3
242.00514	2.3
261.13324	0.3
272.62357	0.3
295.25952	0.2
314.08688	0.4
329.49405	0.3
330.27487	0.3
333.13309	0.3
394.04498	43.1
395.04892	4.0
395.09750	0.6
395.14008	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.8
59.01379	5.7
60.18793	0.5
61.98822	1.1
63.30433	0.5
69.03484	0.9
71.00484	1.2
71.01382	5.3
72.99300	1.0
73.02956	2.3
75.00835	0.9
78.95930	0.8
79.95744	3.7
80.61777	0.5
80.96533	2.2
81.03461	0.6
83.01392	1.2
85.02956	5.4
87.00887	1.2
89.02464	0.8
90.34317	0.5
92.86104	0.5
95.01385	1.4
95.95274	1.0
96.96024	100.0
97.02999	0.8
98.95597	0.9
99.00879	1.0
99.04518	1.1
101.02467	4.4
103.70853	0.5
108.02185	34.6
109.02991	19.4
110.03272	0.8
113.02469	2.2
115.02097	0.8
120.01274	1.1
121.02985	0.9
122.97607	0.9
123.00906	1.1
123.04530	1.7
131.03497	0.6
133.02942	0.7
135.00888	0.8
135.04521	1.0
136.04089	0.8
138.97083	5.2
143.03596	0.6
144.06693	5.1
150.97136	0.9
151.04016	1.9
152.01169	40.3
153.01971	29.3
154.02307	1.2
157.03159	1.7
161.04593	1.2
163.04033	1.4
164.98633	0.6
165.01964	1.6
180.98083	0.9
189.05600	0.7
191.01910	0.7
233.10292	0.7
241.00232	30.0
242.00429	1.1
243.00060	0.6
244.99034	0.6
247.60464	0.5
259.01434	0.7
263.05637	0.9
315.07224	76.4
316.07629	6.7
332.64075	0.6
335.13412	0.8
351.03922	10.9
377.01883	8.8
378.02219	1.0
395.02707	74.1
395.10547	2.9
396.02655	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	393.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01288	0.2
54.01040	0.2
55.01864	0.4
57.03450	0.4
58.00597	0.2
59.01094	0.3
59.01380	3.4
61.98815	0.4
63.49733	0.2
69.40384	2.4
71.01382	3.2
72.99295	0.6
73.02953	0.8
75.00874	1.3
79.95739	5.1
80.96514	2.1
83.01402	0.6
85.02951	1.3
87.00912	0.4
89.02449	0.5
94.98080	0.3
95.95242	5.7
96.27534	0.2
96.96020	100.0
97.95959	0.4
98.20610	0.4
98.95634	0.3
99.00916	0.4
101.02451	1.3
113.02470	0.3
122.97585	1.4
126.29301	0.2
128.25835	0.2
129.01982	0.7
138.97089	2.1
139.99753	0.2
141.01936	0.3
150.97070	1.6
151.97821	0.3
152.98631	0.4
159.03029	0.3
164.98633	0.5
168.98152	0.6
177.04056	6.0
178.04420	0.4
180.98164	0.9
194.99760	0.5
198.99120	0.4
213.00797	0.6
222.99141	0.3
225.00739	0.9
241.00237	2.7
245.72299	0.2
256.99731	3.7
296.03482	0.3
391.10315	0.3
392.64597	1.2
393.12231	84.0
394.12680	11.3
401.77554	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41337	0.2
53.41272	0.2
55.01878	0.4
57.03451	0.4
59.01379	3.2
61.98823	0.5
64.98544	0.2
71.01386	2.7
71.72722	0.2
72.99319	0.6
73.02949	0.7
74.75616	0.2
75.00876	1.2
77.81593	0.2
79.95743	6.1
80.96520	2.1
83.01377	0.4
85.02955	1.6
87.00890	0.5
89.02470	0.5
95.01391	0.2
95.95250	5.7
96.96023	100.0
97.02943	0.2
97.95948	0.3
98.95610	0.2
99.00889	0.3
101.02461	1.3
102.19386	0.2
109.82295	0.2
113.02459	0.6
122.97573	1.0
129.01985	1.1
138.97095	2.0
150.97110	1.7
151.97794	0.2
152.98660	0.2
159.03079	0.3
164.98665	0.9
168.98137	0.8
176.98668	0.3
177.04076	5.3
180.98157	0.8
194.99738	0.5
198.99217	0.5
213.00752	0.7
222.67734	0.2
222.99196	0.4
225.00755	0.6
241.00229	3.0
256.99710	4.3
363.07523	0.4
382.66354	0.3
392.64557	1.3
393.12234	86.0
394.12689	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	393.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87881	0.2
57.03458	0.2
59.01387	2.1
61.98838	1.2
70.23689	1.2
71.01386	1.9
72.99318	0.3
73.02935	0.4
79.95747	3.0
80.96521	2.2
81.03465	0.2
85.02968	1.0
87.00904	0.7
87.67062	0.3
95.95274	0.3
96.96021	100.0
97.95952	0.5
98.19962	0.3
99.00912	0.6
101.02473	1.2
107.05032	0.7
113.02459	0.6
122.97559	0.4
138.97084	5.5
143.03493	0.4
149.06091	0.3
150.97041	1.3
151.04044	0.6
164.98662	0.7
168.98137	0.8
180.98140	0.9
191.01985	0.5
204.39011	0.3
208.56267	0.2
222.99146	1.0
238.28348	0.2
241.00237	18.0
242.00597	0.9
253.17137	0.2
286.79465	0.2
368.09183	0.3
393.04971	55.4
394.05249	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	393.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.0
59.01375	7.1
59.36543	0.2
61.98828	0.7
67.70338	0.2
67.79614	0.2
68.02541	1.3
69.03460	0.3
70.30767	1.0
71.01383	4.5
72.99313	1.2
73.02969	1.1
73.03308	0.2
75.00871	2.4
79.95744	7.3
80.96528	2.3
83.01409	0.3
85.02955	3.5
87.00871	1.4
89.02443	1.2
93.03455	0.2
95.01397	0.7
95.95244	8.6
96.96019	100.0
97.02951	0.2
97.95955	0.6
98.95608	1.6
99.00891	1.6
99.04517	0.2
101.02447	1.8
103.00387	0.2
109.02934	0.2
111.00861	0.4
111.04531	1.2
113.02459	2.8
122.97592	1.5
128.99249	1.4
129.01920	0.7
129.99614	0.6
131.03537	0.5
138.97070	2.5
141.95807	0.3
143.10783	6.5
144.11159	0.2
150.97105	1.8
151.97806	0.4
152.98653	0.6
159.03032	0.4
161.09756	0.4
164.98631	0.7
168.98123	0.5
175.02470	0.3
177.04060	3.4
179.10703	0.3
180.98161	1.0
181.08702	0.2
189.04924	0.2
194.99672	0.4
198.99147	0.6
213.00774	0.7
222.99118	0.4
225.00720	2.2
236.08072	0.5
241.00226	3.5
242.00407	0.2
249.06146	1.7
256.99759	2.6
261.10577	0.3
267.07266	0.4
283.10056	0.3
312.12167	0.5
316.35605	0.2
318.12085	2.5
318.62494	0.5
325.06015	0.2
327.12564	0.5
348.95511	0.2
350.14932	0.2
375.16574	0.3
392.64514	8.3
393.12216	83.2
393.17435	4.6
393.64404	1.2
394.04480	0.4
394.12766	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.1
57.03447	12.6
59.01377	10.8
61.79403	0.3
61.98824	1.7
65.62344	0.3
68.99809	1.1
71.01382	2.9
71.10574	0.9
72.99319	1.5
75.00877	1.0
78.95892	0.6
83.01360	1.7
84.02163	3.0
85.02956	100.0
86.03285	2.1
87.00888	1.4
89.02471	0.5
96.96035	1.5
99.00879	0.3
101.02441	0.6
103.00390	2.3
111.00876	0.6
115.00370	0.4
124.08772	0.3
129.01953	8.0
133.01436	0.4
137.09734	0.6
147.03011	8.8
148.03372	0.3
171.10306	0.5
173.00928	0.7
190.91211	0.3
191.01987	34.1
192.02379	1.4
193.08528	0.4
199.17012	2.7
207.09926	0.6
209.03001	1.6
267.19757	0.4
278.45590	0.4
300.39630	0.3
309.20755	0.9
313.17862	0.5
340.83185	0.4
370.53970	0.3
373.18756	0.5
391.19666	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.9
61.98831	100.0
66.45126	0.2
69.49866	1.8
71.01398	0.3
72.99335	0.2
73.22794	0.2
79.95761	0.2
85.02966	0.2
87.34334	0.2
96.96019	1.6
98.20667	0.4
99.00926	0.2
113.02508	0.3
128.69809	0.2
201.51964	0.2
250.12137	0.2
267.10703	0.6
268.11578	0.3
392.14142	0.5
393.15125	0.5
412.85748	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.7
59.01377	4.7
61.98830	0.3
66.35017	0.3
70.19952	1.3
71.01383	3.5
72.99315	0.4
73.02940	0.7
75.00883	0.6
78.95916	0.4
79.95733	3.4
80.96526	3.0
83.01387	0.4
85.02955	3.7
87.00893	1.4
89.02457	0.4
95.01405	0.3
95.95251	0.6
96.96020	100.0
97.95963	0.3
98.55942	0.2
99.00891	1.1
101.02469	1.8
107.05039	12.7
108.05362	0.5
111.84746	0.3
113.02451	1.7
121.02962	0.3
121.06608	0.6
122.97561	0.4
129.01923	0.4
136.01663	0.9
137.02528	0.3
137.96489	0.3
138.03236	0.3
138.96062	0.6
138.97089	9.1
143.03506	0.5
149.02464	1.7
149.06088	0.4
150.03223	0.9
150.97073	1.1
151.04028	4.0
153.05550	0.7
161.04623	0.6
161.06093	0.2
164.04839	0.7
164.98625	0.7
165.05533	1.0
168.98141	0.7
180.98091	0.9
191.01985	0.7
195.06627	0.8
202.50096	0.3
222.99237	1.4
237.64192	0.3
241.00226	46.8
242.00505	2.1
267.07172	0.7
286.08444	0.8
301.10760	2.0
313.09189	0.5
357.08585	0.3
393.04779	42.7
393.08618	3.3
393.13254	1.3
394.04926	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	391.161
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37537	0.3
55.01873	2.3
57.03446	13.7
58.00580	0.5
59.01375	14.6
61.98826	0.6
67.01876	0.4
68.99816	0.5
70.49191	1.4
71.01382	4.3
72.99303	2.1
73.02948	0.7
73.60346	0.4
74.69753	0.3
75.00887	1.5
79.95742	0.6
83.01385	2.0
84.02154	2.6
85.02955	100.0
86.03282	2.5
87.00880	2.0
89.02448	1.4
96.96024	2.8
98.20497	0.5
99.00891	0.6
101.02480	1.1
103.00389	1.3
111.00879	2.3
113.02444	0.5
115.00394	0.5
119.03547	0.5
122.06112	0.5
129.01953	12.0
130.02269	0.4
133.01479	0.5
138.81688	0.4
145.71532	0.4
147.03014	10.8
155.10802	0.4
173.00912	1.7
191.01979	46.1
192.02319	1.7
199.13377	2.0
209.03008	4.6
219.55025	0.4
241.00189	0.7
243.12350	2.2
267.15924	0.5
331.17593	0.5
348.09610	0.7
364.10788	0.5
373.15085	1.0
391.16028	8.2
391.27228	0.5
392.16495	0.7
410.09723	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65680	0.5
55.01872	1.8
56.06078	0.6
57.03186	0.8
57.03447	10.8
59.01379	13.2
61.98822	2.2
68.99835	0.9
71.01378	3.0
71.43147	0.7
71.43480	1.3
72.99306	1.6
75.00864	1.3
83.01401	2.7
84.02177	2.4
84.23811	0.5
85.02958	100.0
86.03304	2.3
87.00874	2.3
96.96022	1.6
101.02443	0.9
103.00369	1.8
111.00906	4.8
115.00335	0.8
121.02970	0.6
129.01073	1.0
129.01961	10.4
133.01447	0.6
147.03009	11.8
157.44664	0.6
173.00941	2.4
184.35245	0.6
191.01985	38.4
192.02315	1.4
197.11859	0.7
199.17085	2.5
206.93036	0.6
209.03040	1.3
225.95154	0.7
231.73837	0.6
232.35620	0.5
233.11638	2.1
291.19690	1.1
309.20764	1.9
312.40424	0.6
315.71786	0.6
391.20044	3.0
411.36603	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.7
57.03449	2.0
59.01381	6.4
68.99802	0.4
71.01387	3.3
71.73163	0.6
73.02948	1.3
73.93481	0.3
75.00861	0.4
79.95750	3.4
80.96519	2.7
83.01400	0.9
84.02215	0.4
85.02955	9.0
85.90838	0.3
87.00883	0.6
89.02444	0.7
95.95259	2.8
96.96021	85.4
97.95952	0.4
101.02451	2.4
113.02454	0.6
122.97597	1.6
128.78670	0.3
129.01944	1.1
138.97078	1.6
145.02992	0.5
147.02997	1.2
150.97057	1.9
152.74823	0.3
152.98607	0.4
158.44032	0.3
164.98660	0.5
165.04053	0.3
173.00887	0.6
180.98132	1.2
188.82031	0.3
189.93555	0.3
191.01955	3.4
196.64891	0.3
196.95695	0.3
198.99208	0.6
199.13461	0.4
217.70151	0.3
218.43759	0.3
222.99297	0.3
241.00194	4.2
268.93036	0.3
390.26001	0.4
391.10684	100.0
391.26996	5.9
392.10995	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.3
57.03445	0.7
59.01381	6.8
61.98824	0.5
69.03471	1.4
71.01379	3.7
71.73339	0.3
72.99310	1.0
73.02950	1.2
75.00871	0.4
78.95906	0.4
79.95747	5.0
80.96521	3.3
83.01395	1.0
85.02953	4.2
87.00874	0.9
89.02453	0.5
93.03454	0.9
95.95236	3.0
96.96021	100.0
97.02937	0.4
97.95963	0.4
99.00887	1.1
101.02462	2.1
101.31875	0.2
102.98626	0.6
113.02460	1.1
119.05040	0.6
120.99651	0.6
122.97608	1.6
129.01939	0.6
134.04755	0.7
137.02478	2.2
138.97118	1.6
141.09224	0.3
145.02957	0.9
147.03081	0.5
150.97098	2.0
164.98601	0.6
177.04056	0.4
180.98154	1.6
185.00850	0.5
191.01988	1.4
196.95792	0.4
198.99219	0.5
241.00201	5.3
242.00690	0.3
263.83878	0.2
300.02536	0.3
317.13522	0.4
342.56308	0.3
369.32358	0.3
390.62369	0.3
391.10620	99.5
391.26929	1.9
391.63840	1.5
392.10922	8.3
392.14615	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	391.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98230	0.2
55.01865	0.3
57.03448	1.1
57.03711	0.2
58.00594	0.2
59.01381	7.1
61.98824	0.6
68.02203	0.2
69.03446	0.5
69.39482	0.5
69.39902	2.3
71.01389	3.6
72.99302	0.7
73.02956	1.0
75.00873	0.6
79.95747	4.5
80.96526	2.3
83.01399	0.8
85.02959	8.1
87.00884	1.0
89.02449	0.6
93.03521	0.4
95.01421	0.3
95.95245	2.2
96.96022	95.2
97.02967	0.3
98.19844	0.4
98.20537	0.8
99.00899	0.7
101.02453	2.2
112.90614	0.2
113.02443	1.1
120.01273	0.4
120.99625	0.4
122.97643	1.4
129.01955	0.8
130.08780	0.3
138.97040	1.5
141.09235	1.0
145.02927	0.6
147.03000	0.8
148.04015	0.4
150.97092	2.2
164.98657	0.6
166.05138	0.3
177.04071	0.3
180.98117	1.3
187.13472	0.4
191.01970	2.8
198.99242	0.4
209.03027	0.4
213.73062	0.3
222.99208	0.5
241.00226	4.7
242.00554	0.4
249.06099	0.3
271.02444	0.3
300.02737	0.6
315.09866	0.7
349.18735	0.5
390.25754	0.5
391.10675	100.0
391.27161	2.0
392.10989	11.4
392.27466	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	390.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.3
57.03452	3.6
59.01094	1.2
59.01378	22.6
61.98831	1.7
63.51654	0.6
67.78783	0.6
71.01385	6.1
71.72825	1.1
72.99304	1.2
73.02951	5.8
75.00870	1.4
75.32951	0.7
79.95738	5.5
80.96533	2.6
83.01395	1.3
83.05039	1.0
85.02958	30.0
85.50677	0.7
87.00885	2.0
87.04530	0.9
89.02440	2.3
95.95241	3.1
96.96019	100.0
98.95611	0.8
99.00915	1.2
101.02418	4.6
103.00391	1.2
111.00876	1.0
113.02454	2.4
120.01262	1.0
122.97583	1.1
129.01958	3.9
134.03700	1.7
135.04550	1.4
138.97069	2.3
139.11264	1.4
147.03027	3.4
150.97014	1.2
152.98618	3.8
154.44325	0.7
161.04520	0.9
167.03438	0.8
167.14433	0.7
171.88289	0.8
173.00897	0.8
179.03459	1.6
180.98177	1.8
191.00429	1.2
191.01988	11.5
193.05042	0.9
195.13818	1.6
197.15469	27.4
198.15872	1.3
209.03125	1.6
211.16994	0.9
223.13275	0.8
239.16518	6.1
241.00215	24.9
241.14456	10.9
242.14886	1.5
256.99817	0.8
283.15515	10.5
284.16052	1.1
347.09146	2.6
359.01852	0.7
389.61899	1.2
390.09256	0.9
390.25864	2.3
391.06915	17.7
391.10797	20.3
391.15460	1.5
391.19528	1.7
391.27118	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	390.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01426	0.3
61.98831	100.0
68.64058	0.3
71.19954	0.6
73.96214	0.3
82.84563	0.3
105.75151	0.4
110.00244	0.3
137.31912	0.3
247.34979	0.3
363.75327	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45835	0.5
58.12723	0.5
59.01378	4.9
61.98830	100.0
63.99261	0.6
67.35063	0.4
79.95757	0.7
85.02985	0.8
96.96033	3.9
147.08888	0.5
169.80434	0.5
219.11656	0.5
228.22484	0.6
229.30392	0.7
266.98581	0.9
330.26678	0.5
390.15088	1.8
390.64957	0.9
391.15503	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.0164
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	9.8
58.10314	0.6
58.99598	3.6
59.01378	43.4
60.01712	0.7
60.97536	1.3
61.98820	0.8
69.03452	1.0
69.61919	4.0
71.01382	11.5
71.05021	0.7
72.99314	0.9
73.02950	5.8
75.00880	2.0
78.95909	0.6
79.95742	95.5
80.96522	66.4
81.78454	0.6
81.95326	0.6
83.01405	1.8
85.02958	19.2
85.06622	0.6
86.03246	0.8
87.00884	97.3
87.04501	1.0
88.01222	2.0
89.02442	5.3
93.97323	0.6
94.98112	2.3
95.01428	0.7
95.05040	0.7
95.95235	4.2
96.94244	0.7
96.96019	21.8
97.06612	2.2
97.94836	0.8
98.95606	6.4
98.96432	1.7
99.00867	1.5
99.04522	5.5
100.96045	1.3
101.02462	8.0
102.98615	8.9
105.01981	0.7
106.98111	1.4
111.00887	1.5
113.02448	5.2
115.00401	1.7
118.05107	0.5
119.03507	2.0
120.01283	1.9
120.78397	0.5
120.99685	0.9
122.04801	0.5
124.93748	4.8
125.02419	1.5
126.95314	14.8
129.01959	2.2
131.03563	0.7
134.03743	3.5
137.09740	0.7
138.97108	1.1
143.03491	0.8
147.03024	2.4
149.04555	0.9
152.96875	23.1
155.10721	0.7
160.04033	1.5
161.04655	2.7
168.96364	40.5
169.08755	1.0
175.02538	1.3
175.04002	0.7
177.04083	0.7
185.07124	0.9
187.13438	2.4
191.01903	3.8
193.05093	1.4
195.06760	1.1
196.95847	100.0
197.11938	0.6
197.96141	2.3
199.09862	1.2
214.96904	33.0
215.09325	0.7
215.12888	3.1
215.97191	1.0
227.08296	1.2
229.09735	0.7
241.00343	2.1
242.00671	0.6
243.12228	0.8
245.14085	0.6
247.10976	1.0
248.11487	1.0
249.06180	0.8
256.99686	2.9
258.00073	3.4
258.99622	1.1
259.11871	6.1
261.04022	0.9
272.16211	0.5
297.08725	0.9
330.05670	0.9
331.14209	0.9
331.17624	4.4
342.64822	0.6
343.11923	0.8
347.59329	0.9
349.18695	4.6
387.11108	0.7
390.13464	4.2
391.01709	38.8
391.07016	4.6
391.13272	6.4
391.20200	1.0
391.26974	3.6
392.01962	3.8
392.06644	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	389.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	100.0
61.98831	62.3
71.02265	17.4
71.72984	18.0
71.73374	17.9
71.99258	11.7
73.08463	12.9
76.74459	14.0
80.78890	13.3
101.41013	16.1
152.33452	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	390.0534
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44906	0.3
52.94588	0.4
54.05203	0.3
59.01379	11.8
61.98838	1.4
64.60751	0.3
68.02539	86.2
68.64029	0.4
69.02867	1.0
69.03439	0.5
70.56618	0.3
71.01381	2.1
71.05024	1.4
71.72942	0.4
71.73316	0.4
72.99317	0.5
73.02953	0.9
73.16582	0.3
75.00885	0.8
79.95748	3.7
80.96520	1.6
83.01414	0.3
85.02965	2.6
86.66369	0.3
87.00873	0.7
88.98820	1.3
89.02437	0.5
90.99864	0.3
95.94601	0.3
95.94701	0.2
95.95241	10.0
96.96021	37.6
98.95644	0.3
99.00856	0.5
99.04541	3.3
101.02451	1.8
102.98567	0.4
108.08282	0.4
113.02465	1.3
115.00291	0.3
120.99648	0.8
125.06258	0.3
125.07218	0.5
126.99583	100.0
127.99908	2.9
129.05591	0.4
129.26003	0.3
131.03419	0.4
134.03833	0.4
135.52943	0.3
138.97089	1.4
147.98235	11.4
149.09744	0.7
152.08318	1.0
152.82420	0.3
165.12880	0.8
166.13222	0.5
183.13913	2.3
184.14206	2.0
191.00134	0.4
191.01910	0.4
206.95247	3.0
226.15482	0.3
227.12869	2.8
228.13248	2.7
241.00218	9.8
262.05045	1.6
269.14008	0.5
288.08539	0.4
288.11295	0.7
321.01944	1.2
330.16425	0.7
390.05313	74.9
391.05539	7.0
391.10391	3.6
391.13849	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	389.1819
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
52.46297	0.4
55.01881	1.1
57.03442	2.0
58.00586	0.7
58.99609	0.4
59.01381	15.2
60.01705	0.4
61.98838	0.7
68.02541	3.3
69.03448	0.8
69.66575	0.9
69.66984	3.0
71.01386	11.6
72.01686	0.4
72.99308	0.9
73.02958	2.7
75.00887	0.6
78.98602	0.6
79.95732	0.9
80.96494	0.6
83.01392	1.5
83.05121	0.4
85.02957	7.9
87.00871	0.9
87.04515	2.0
89.02457	4.9
93.30029	0.4
95.01395	1.1
95.95267	0.5
96.96025	9.3
97.06591	0.4
99.00889	1.0
101.02454	7.3
102.98620	0.9
106.06659	0.5
110.94962	0.5
111.08170	1.7
113.02472	7.9
119.03512	1.1
120.99646	1.3
126.99588	2.9
129.01987	0.6
131.03540	0.6
160.42188	0.4
161.04576	2.0
165.12862	23.7
166.13182	1.2
179.05664	0.7
181.12428	0.4
183.13910	71.1
184.14261	4.7
184.26567	0.4
195.13879	0.5
197.15443	2.1
203.16263	0.4
207.13942	2.3
209.01276	0.7
209.11839	2.1
225.14957	1.8
227.12892	100.0
228.13228	7.8
241.00163	0.7
251.12895	4.7
259.13898	0.5
263.60672	0.5
264.11133	0.5
269.13876	3.1
293.13925	1.0
329.16092	1.1
329.23239	0.5
347.24353	0.9
350.19196	0.4
389.09174	1.0
389.21411	8.5
389.25613	1.6
389.70892	3.6
390.05499	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.5
57.03448	3.2
57.36697	0.3
58.00590	0.6
59.01379	78.1
60.01715	1.4
61.98836	0.9
69.03465	1.2
71.01387	15.9
71.05019	0.4
71.72859	0.4
71.73277	0.6
72.99319	2.1
73.02955	4.2
74.02502	0.3
75.00884	2.8
78.28449	0.3
79.95744	18.4
80.96526	0.8
81.03470	1.2
81.95332	0.4
83.01382	3.0
83.01733	0.3
84.02192	0.5
85.02959	21.3
86.03297	0.4
87.00889	3.2
89.02452	9.2
91.42841	0.3
93.03464	0.5
95.01416	1.3
95.95241	18.1
96.96020	67.3
97.03018	0.8
97.06601	1.0
97.95959	0.4
98.95602	8.1
98.96356	0.6
99.00882	2.5
101.02450	10.1
102.02794	0.5
103.00351	0.4
109.02972	1.0
111.00904	0.8
111.04549	0.4
111.09398	0.4
113.02470	7.3
115.00383	3.1
115.03995	0.7
115.92094	0.7
116.92844	0.4
119.03528	2.9
120.01286	0.7
121.02969	0.8
122.06149	0.4
123.00893	0.7
123.08179	0.7
125.02463	2.4
127.07637	0.5
128.03540	0.4
129.01971	2.5
131.03566	0.6
133.02945	0.4
134.03745	1.3
135.04547	1.4
137.02483	0.6
138.97090	2.6
141.95795	1.4
143.03520	0.9
144.04555	0.4
145.03073	0.5
146.03746	0.3
146.06136	0.9
147.03015	3.3
147.04442	0.6
149.02466	0.5
149.04565	1.0
149.06149	0.7
149.09753	0.5
150.03235	0.8
150.97139	1.7
152.98639	1.8
153.09250	0.8
155.03566	0.6
159.03009	0.6
159.04581	0.3
161.02463	0.7
161.04568	2.5
161.05942	0.7
162.05539	0.5
163.04042	0.4
164.98676	0.4
165.01917	0.9
165.04045	2.6
165.05484	0.8
166.04353	0.4
167.00166	0.7
167.10823	0.8
168.98125	0.5
171.04591	0.5
171.10228	0.5
175.02502	2.7
175.03889	0.5
177.04121	2.1
179.03465	1.3
179.05626	0.9
179.07076	0.4
179.10846	1.1
180.98123	1.2
182.99710	2.1
185.03848	0.9
189.05559	3.5
191.01947	1.4
191.03532	0.7
193.05074	0.9
195.06601	0.6
197.01286	0.6
197.11804	0.8
199.76875	0.4
205.03525	2.7
205.05251	0.6
205.07274	0.7
213.00842	0.8
213.11455	0.3
215.09171	1.6
217.05164	0.9
221.04539	0.7
225.00691	2.4
227.07088	0.5
227.12851	0.9
233.04579	0.8
237.06479	0.4
239.99359	0.4
241.00253	2.9
241.10788	1.2
242.00938	1.0
242.96071	0.5
249.06145	0.5
253.04904	0.7
254.05904	0.6
256.99719	17.3
257.10202	1.0
261.03989	2.3
267.07132	0.9
269.08160	0.7
271.09668	0.6
273.99997	0.8
293.06595	0.8
295.10873	0.5
299.09280	0.6
309.06216	3.5
310.06464	0.5
313.08142	1.1
313.11682	0.6
315.03867	0.8
327.13193	0.6
329.05667	0.8
329.16125	3.4
345.03589	0.6
347.09174	1.9
357.10925	0.8
368.09741	0.4
371.17068	0.7
388.92773	2.6
389.13260	19.1
389.18121	100.0
390.07159	3.8
390.13440	1.3
390.18430	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	388.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.5
61.98829	100.0
62.98532	0.3
66.17686	0.2
70.08796	1.5
71.01391	0.3
78.95933	0.3
79.95734	0.3
84.80518	0.3
85.02972	0.5
92.72372	0.2
95.95264	0.4
96.96008	1.2
99.85279	0.3
101.02486	0.3
109.61945	0.3
109.69564	0.2
152.67255	0.3
260.54910	0.3
349.31128	0.2
389.13843	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90584	0.5
50.94968	0.4
59.01377	3.8
60.00999	0.5
61.98831	100.0
67.79945	0.4
71.01398	1.2
71.28664	1.0
79.95762	0.7
85.02969	1.6
86.03309	0.5
88.66642	0.4
96.96036	2.4
122.42075	0.4
197.01468	0.4
325.20303	1.8
389.13922	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07232	0.3
59.01382	2.1
61.98828	100.0
65.28203	0.3
70.24654	0.3
71.01395	0.5
71.05185	0.3
71.05514	0.6
85.02969	1.4
86.03325	0.3
95.58747	0.3
96.96027	1.4
103.78019	0.3
410.87689	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1817
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
55.01888	1.2
55.97250	0.4
56.78873	0.4
57.03444	2.2
59.01381	73.1
60.01725	0.8
61.98822	0.6
71.01388	13.3
71.72442	0.7
72.99303	2.3
73.02967	4.8
75.00887	1.1
78.95956	0.6
79.95747	7.9
80.96527	0.6
81.03466	1.4
83.01402	2.4
85.02955	12.7
85.03445	0.6
86.00124	0.5
87.00874	2.6
89.02450	6.1
90.22009	0.5
92.65617	0.5
95.01414	1.1
95.95238	7.2
96.96024	33.5
97.75318	0.4
98.95600	2.4
98.96487	0.7
99.00909	1.8
101.02460	10.2
105.45082	0.4
109.03030	0.5
111.00884	0.8
112.79840	0.5
113.02457	5.0
115.00327	0.6
115.04068	0.8
119.03522	2.2
120.01343	0.5
121.02969	0.8
122.06171	0.5
123.08207	0.7
125.02450	2.6
129.01965	1.6
133.10318	0.5
135.04564	1.0
138.97069	1.0
141.80998	0.4
143.03635	0.9
145.03056	0.5
146.06178	0.7
147.03032	1.0
149.04546	0.7
149.09695	1.2
152.98679	1.0
154.99840	0.6
161.04526	2.3
165.04102	1.1
179.05594	0.8
180.98209	0.6
182.99699	1.0
191.02014	1.6
193.05095	0.7
205.03517	3.7
215.09258	1.1
217.05365	0.5
225.00797	1.0
241.00258	0.8
241.10799	1.8
242.01189	0.5
254.05669	0.6
256.99765	4.5
257.10251	0.9
261.03967	0.5
268.07510	0.6
270.08063	0.5
283.09772	0.8
295.11136	0.6
309.06149	0.5
313.08447	0.8
313.11993	1.1
327.13434	1.3
329.16110	1.9
346.08517	0.9
347.09146	2.5
357.10864	0.9
371.17175	0.9
389.13528	7.5
389.18182	100.0
390.07462	1.5
390.13892	0.7
390.18521	11.7
402.69705	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34184	26.1
58.45952	30.9
59.01384	66.7
61.98833	93.7
71.73301	48.0
82.90592	28.6
83.19794	27.6
85.02961	100.0
151.32132	29.7
248.09532	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	387.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36517	24.9
59.01371	76.8
61.98820	79.0
70.88532	57.4
85.02951	100.0
86.03308	23.7
98.21236	22.8
110.32336	23.2
200.96292	23.0
255.23299	25.8
347.87915	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01717	0.8
61.98841	4.5
66.41442	0.4
71.01376	0.7
71.30560	1.0
85.02979	1.1
103.01600	0.4
108.97132	0.5
224.06375	0.4
230.45650	0.4
235.20764	1.2
253.21721	9.6
254.22243	0.9
255.23402	0.7
275.57779	0.5
303.12439	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.9
61.98833	1.5
69.57995	2.3
71.01389	1.8
73.02959	2.6
85.02954	1.0
98.19893	0.6
103.04025	0.8
129.02106	0.3
131.03526	4.3
171.11757	0.3
180.01666	0.3
255.23294	100.0
256.23621	9.3
387.27502	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	388.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.3
57.03446	0.4
59.01379	3.7
61.98830	100.0
69.98092	1.4
70.93239	0.3
71.01391	1.7
72.99349	0.2
73.02964	0.6
74.02481	0.3
75.00866	0.2
75.59313	0.2
79.04304	0.2
79.95723	1.3
80.96516	0.6
83.01395	0.4
85.02966	3.4
86.03304	0.2
89.02468	0.9
95.95255	0.4
96.96019	23.5
97.95944	1.2
98.95608	3.4
98.96446	0.7
99.00928	0.3
101.02464	0.9
102.02882	0.3
113.02499	0.5
121.03012	0.3
128.07184	0.9
129.01976	0.4
135.04536	0.3
138.97118	0.9
147.02980	0.3
150.97037	0.3
164.11656	0.5
191.01932	0.4
226.08357	0.2
241.00261	0.9
242.00638	0.4
256.66934	0.2
257.10263	0.3
388.13538	30.9
389.13361	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	387.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.1
57.03444	2.8
58.00578	1.6
59.01379	68.7
60.01695	1.2
61.98827	3.1
63.43135	0.7
63.62031	0.6
63.67810	0.6
69.03461	1.5
69.92953	2.2
69.93372	1.7
70.87212	0.5
71.01389	15.7
72.99318	2.2
73.02953	2.1
74.02480	0.9
75.00885	1.0
79.95750	3.5
80.96533	3.2
83.01400	1.8
85.02961	16.4
86.03294	1.9
87.00878	1.9
87.94888	0.5
89.02449	12.0
93.03489	0.8
95.01384	1.6
95.70390	0.7
96.96020	99.6
97.02937	0.9
98.20560	0.6
98.95609	3.4
99.00874	1.0
99.04564	0.7
99.92625	0.8
101.02456	10.2
111.00886	0.8
112.17838	0.5
113.02467	6.5
115.92069	1.3
116.92886	0.9
119.03531	4.0
121.03013	0.7
122.97588	1.4
122.99241	1.1
123.04540	0.9
125.02447	2.5
128.03561	0.7
129.01978	1.3
134.03760	1.6
135.08054	0.8
137.02406	2.9
138.06879	1.7
138.97122	4.3
142.60379	0.7
143.03421	1.0
147.03055	1.2
147.08148	0.8
149.06143	1.0
150.97089	1.6
151.03990	1.4
151.11290	0.7
153.05632	1.1
153.09204	5.3
153.75970	0.6
161.04539	0.9
163.11310	30.8
164.11646	1.9
165.04219	1.1
165.05589	3.9
166.06276	0.8
167.08215	1.0
181.05052	1.2
185.39119	0.6
191.02003	1.8
192.02382	0.8
193.02428	1.0
198.99176	1.0
207.10252	2.7
209.02992	1.0
211.00874	2.0
211.13379	1.3
225.07671	18.6
226.08054	1.1
239.09239	1.7
241.00185	5.3
254.07861	1.8
255.12347	4.9
327.10336	0.9
368.98410	1.1
387.13177	100.0
387.16873	51.4
388.12732	9.0
388.17072	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	387.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.5
57.03454	2.1
58.00595	1.7
59.01378	100.0
60.01714	1.6
69.03449	1.2
71.01385	33.1
71.73372	1.1
72.01729	1.0
72.99319	1.9
73.02950	28.9
74.03300	0.7
75.00878	1.6
79.95744	2.4
80.96526	1.2
81.03487	0.6
82.86375	0.6
83.01389	8.6
83.05045	1.6
85.02960	14.2
86.03304	0.6
87.00898	1.6
87.04536	1.0
89.02456	8.4
90.98625	0.7
91.01892	1.1
95.01437	1.8
95.95286	0.8
96.96020	47.1
96.99326	2.3
97.02955	1.1
98.95606	0.7
99.00896	3.6
99.04557	1.0
101.02458	28.1
102.02814	0.8
103.04066	0.7
107.46729	0.6
108.02182	1.0
109.02967	2.9
112.77599	0.6
113.02453	10.9
117.03506	1.2
119.03552	2.8
119.05008	0.7
119.08677	13.0
120.09092	0.9
121.03004	0.8
121.10258	9.6
122.97626	0.7
123.04539	3.8
127.04047	1.7
129.01997	1.5
131.03532	2.3
134.03748	12.0
135.04524	1.2
138.97124	0.8
143.03548	1.8
145.02974	1.5
145.05098	1.5
146.03761	4.6
147.04535	2.1
148.05295	0.7
149.04582	0.6
149.06053	1.3
150.97139	1.4
153.05589	0.6
158.03720	3.7
159.03142	0.9
159.04501	7.3
160.01698	1.1
160.04010	2.8
161.04599	9.8
161.06102	2.0
163.04066	1.9
163.07654	7.8
164.08061	0.8
165.09256	2.9
167.10814	1.1
173.06145	2.3
175.04102	0.8
177.05621	1.6
178.02780	1.2
179.05734	0.6
180.98126	0.9
183.10321	0.9
187.04041	1.1
191.02019	0.8
191.07274	0.9
191.08934	0.5
192.31540	0.5
193.05078	4.8
203.07202	1.8
205.03641	0.7
221.08249	1.3
224.98953	0.8
237.15100	2.0
239.07231	0.8
241.00273	3.6
241.05087	0.9
249.06009	0.9
266.05942	1.6
267.06693	2.5
268.07260	1.2
277.04977	1.0
281.08182	5.2
282.08951	2.3
283.09821	2.1
284.10648	1.1
295.06097	4.7
301.16550	6.4
309.07828	0.9
310.08420	4.4
325.10968	2.5
327.14639	2.4
345.15619	2.8
354.07529	0.7
369.10797	1.2
369.15579	8.5
387.13126	28.9
387.16962	14.1
388.11502	5.3
388.17242	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	387.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.6
56.02220	0.5
57.03446	2.4
58.00600	1.2
59.01378	100.0
60.01715	0.7
61.98840	0.6
69.03472	1.0
69.39968	5.8
71.01382	35.7
72.99326	2.2
73.02953	30.6
74.03297	0.7
75.00866	1.3
79.95747	2.0
80.96540	1.9
83.01394	8.9
85.02960	15.0
86.03304	1.4
87.00888	1.2
87.04510	1.2
89.02452	10.2
90.98602	0.8
91.01922	1.9
95.01399	1.4
95.95248	0.8
96.96024	47.2
96.99342	1.4
97.02956	1.4
98.95629	1.8
99.00878	3.7
99.04528	0.7
101.02454	29.0
102.02740	0.7
103.04035	0.6
109.02992	2.1
111.00916	0.8
111.04554	0.7
113.02467	12.4
114.02808	0.7
115.91418	0.6
119.03513	2.2
119.05053	1.2
119.08682	9.4
121.10255	12.2
122.10624	0.8
123.04572	2.0
125.02424	1.4
127.04018	1.1
129.02005	1.4
131.03542	1.6
134.03758	9.0
135.04576	0.8
137.02463	1.1
138.97105	0.7
143.03545	2.3
145.02954	1.1
146.03761	2.7
147.04506	1.5
149.04561	0.8
149.06102	0.8
158.03790	2.0
159.03137	1.2
159.04543	4.9
160.04080	2.8
160.05307	1.1
161.04601	11.5
161.06046	1.8
163.04073	1.0
163.07660	6.3
165.02036	0.8
165.09291	3.6
167.10814	1.0
173.06062	1.5
177.05630	1.3
179.07401	0.6
180.98183	1.1
183.10216	0.7
187.04005	0.8
191.01990	0.8
193.05125	2.8
203.07132	1.1
221.08266	1.2
225.05196	0.7
237.15034	2.2
241.00330	2.9
266.05823	1.6
267.06653	1.2
268.07205	0.8
281.08215	3.5
282.08841	1.2
283.09924	1.1
295.06241	3.2
301.16531	7.9
302.16974	1.0
309.13470	0.8
310.08615	2.8
325.10968	2.2
327.14426	3.1
341.89883	0.7
345.10764	1.0
345.15573	2.4
369.15610	4.8
386.96014	0.6
387.13074	29.3
387.16916	14.5
388.12003	2.7
388.12985	2.7
388.17325	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	387.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91250	0.2
54.39304	0.2
55.01875	0.2
59.01144	0.2
59.01385	2.3
62.67799	0.2
63.46139	0.2
69.58954	1.8
71.01390	1.7
72.99311	0.5
73.02951	0.7
77.98698	0.2
79.95747	2.9
80.96523	2.4
83.01405	0.4
85.02946	1.2
87.00893	0.4
89.02483	0.4
95.01427	0.2
95.95244	0.5
96.96021	81.6
99.00875	0.4
101.02477	1.7
113.02431	0.3
122.10277	0.2
122.97595	1.0
138.97072	3.1
150.97131	1.5
164.98653	0.8
168.98241	0.3
180.98123	0.9
198.99188	0.6
219.50731	0.2
222.99152	0.3
241.00246	5.0
387.13266	100.0
388.13596	9.5
392.94614	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	0.3
58.26051	0.3
59.01381	1.9
62.96141	0.2
64.25186	0.2
69.03448	0.4
69.53738	0.2
69.90738	1.5
69.91125	0.5
71.01373	1.1
72.99328	0.6
73.01800	0.2
73.02955	0.6
78.56604	0.2
79.95731	2.6
80.96533	2.3
83.01406	0.4
85.02502	0.3
85.02949	1.3
87.00882	0.5
89.13102	0.3
95.95234	0.4
96.96018	79.8
98.20596	0.5
101.02439	1.5
103.49847	0.2
108.97871	0.2
109.47239	0.2
113.02439	0.5
122.97597	0.8
138.97095	2.4
145.75775	0.2
150.97096	1.1
164.98648	0.7
180.98126	1.0
184.98082	0.3
211.00792	0.5
222.99062	0.3
241.00249	4.6
242.00291	0.3
387.13287	100.0
388.13620	10.5
388.17505	0.2
388.18765	0.4
388.55331	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.6
57.94976	0.2
58.03745	0.2
59.01098	0.3
59.01382	5.1
61.98826	0.2
70.02964	0.3
71.01386	3.8
71.72509	0.4
72.99312	0.6
73.02946	1.1
73.60979	0.2
74.02448	0.8
75.00880	0.5
79.95748	2.8
80.96522	1.5
83.01392	0.8
85.02948	3.8
86.03278	0.5
87.00874	1.2
89.02464	1.7
94.52295	0.2
95.95232	1.3
96.96021	67.8
98.95601	0.6
99.00876	0.6
101.02454	2.6
101.30528	0.2
102.98634	0.3
104.98184	0.4
113.02451	1.3
114.93394	0.3
119.03528	0.5
119.05041	0.4
120.01244	0.5
120.99688	1.3
122.00027	0.3
122.97607	0.9
122.99263	2.2
123.00080	0.4
125.25246	0.2
129.01944	0.3
134.03758	0.6
138.97070	1.5
139.04080	0.2
143.03568	0.3
147.02988	0.3
148.05362	0.3
149.02373	0.3
149.15053	0.3
150.97113	1.3
157.01515	0.3
160.03986	1.0
161.04503	0.6
162.03229	0.2
164.98631	0.4
165.04039	0.6
167.03505	0.9
172.06122	0.4
177.05547	0.4
180.98132	0.9
191.01965	0.7
196.30916	0.2
198.99176	0.4
203.08305	0.4
206.04851	0.3
209.01242	0.4
209.03035	0.3
210.01573	0.4
211.00764	2.4
225.14983	0.3
239.09172	0.3
241.00244	5.0
245.09308	2.1
251.05502	1.2
311.10028	0.2
327.09921	0.6
333.06268	0.4
351.07236	0.7
387.13318	100.0
388.13696	10.3
409.18414	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75697	0.2
54.28841	0.2
57.03443	1.2
58.01929	0.2
59.01377	0.7
61.98831	100.0
62.98516	0.2
66.21307	0.3
70.08858	1.4
71.01382	0.5
75.00865	0.2
79.67268	0.2
79.69228	0.2
84.02170	0.3
85.02960	9.3
86.03336	0.3
111.00809	0.3
112.24578	0.2
114.11160	0.2
124.99522	0.2
129.01984	0.7
130.08749	4.1
134.03722	0.5
147.03004	1.0
154.30180	0.3
191.02007	3.6
209.01370	0.4
209.03006	2.0
248.98677	0.3
322.20178	2.2
389.84872	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1087
Annotation	epoxytwinol A
Peak:m/z	Relative Intensity
55.01870	1.7
57.03446	2.9
58.00584	1.1
59.01381	58.5
60.01714	1.3
60.96856	0.7
60.99193	0.9
61.01798	2.3
68.99803	1.0
69.03460	1.1
69.52537	7.6
70.85461	0.6
71.01389	20.5
72.99297	2.0
73.02948	11.9
75.00868	2.0
79.95737	2.4
80.96510	0.9
83.01402	4.4
83.05039	1.1
85.02961	13.6
87.00883	2.5
87.04527	3.7
89.02458	8.3
90.98623	1.4
91.01888	5.6
93.03462	1.1
95.01373	1.9
95.95242	1.5
96.96024	49.7
96.99313	6.3
98.95610	2.2
99.00884	2.1
101.02451	13.8
102.98590	1.0
104.98235	1.1
108.02161	1.7
109.02959	6.4
111.00847	1.2
113.02473	7.2
117.03478	2.8
119.03524	3.4
119.05033	1.9
119.08672	8.5
120.01257	0.8
121.02950	1.9
121.10264	1.7
122.03766	0.8
123.00879	1.1
123.04541	9.2
124.01697	1.1
127.04008	1.6
129.01932	2.0
131.03499	1.3
134.03761	32.0
135.04507	2.3
137.02518	1.0
137.09761	1.3
138.03255	1.2
138.97044	1.1
143.03477	1.6
145.02992	5.5
145.05067	0.9
146.03760	12.6
147.04515	5.4
148.01653	1.7
148.05310	1.2
149.04526	1.0
149.06088	3.9
150.97084	1.1
151.04077	0.7
153.05592	2.5
153.09122	0.8
158.03723	7.8
159.03191	1.1
159.04549	20.0
160.01671	1.6
160.04031	7.4
160.05235	2.7
161.04677	4.7
161.06064	4.3
162.03207	1.4
163.04027	4.4
163.07646	6.5
165.01894	0.8
165.09229	1.0
170.67802	0.8
173.06042	6.1
174.03265	1.5
175.04016	2.8
175.07750	0.8
177.05565	9.0
178.02803	3.6
178.04092	0.7
178.06306	3.1
179.03452	0.9
179.05565	0.8
180.04173	0.8
183.10277	0.8
186.03098	0.9
187.03992	2.4
188.04802	1.5
189.05392	0.9
191.02000	2.0
191.07167	2.1
192.07945	0.9
193.05040	11.2
195.13881	1.0
203.07117	8.3
206.05830	1.9
210.05206	0.9
211.03595	0.9
221.08206	6.9
224.06952	1.6
224.98849	1.9
237.14890	3.4
239.07022	1.1
241.00215	3.3
241.05038	1.8
241.07239	1.2
249.05684	2.4
250.06337	1.7
251.06888	0.8
256.07422	2.1
265.08817	0.9
266.05872	4.8
267.06665	5.4
268.07346	3.6
269.08127	1.7
271.09714	1.5
277.05118	1.9
278.05893	0.9
280.07474	1.8
281.08170	11.5
281.13864	1.1
282.08914	5.2
283.09677	4.0
284.10486	3.2
293.08060	1.0
294.05200	0.9
295.06116	13.3
296.06421	1.1
297.11301	1.1
301.16611	1.8
309.07681	2.1
309.13425	1.1
310.08478	11.3
311.08853	1.1
325.10733	8.1
326.11166	1.8
339.05106	1.2
343.11679	1.2
343.20673	0.9
354.07184	1.8
357.13556	1.1
369.09601	5.3
369.15253	3.7
387.10361	100.0
387.20761	3.2
388.10870	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1145
Annotation	Axitinib
Peak:m/z	Relative Intensity
55.01871	2.6
57.03449	12.9
59.01377	8.7
59.80983	0.7
68.99821	0.8
69.69580	5.7
71.01392	7.6
72.99321	2.8
73.02954	2.1
75.00864	4.7
78.89777	0.8
79.95750	1.4
83.01408	4.6
84.02182	2.7
85.02960	100.0
86.03304	2.2
87.00899	3.4
89.02467	2.0
95.94569	0.8
96.96026	32.7
98.95604	2.9
99.00895	1.4
101.02447	2.2
102.98602	1.5
103.00371	1.3
111.00887	4.6
115.00389	4.9
120.99652	4.9
129.01973	8.3
133.01454	3.0
134.03751	5.8
134.39088	0.7
138.95895	0.7
138.97049	1.1
144.43275	0.9
147.03035	10.4
149.06075	0.8
173.00931	1.7
174.01721	29.4
175.02405	2.9
176.04892	0.8
178.06468	1.0
179.03488	0.9
191.01996	37.5
191.07114	1.1
192.02299	1.1
193.05151	1.7
193.08890	0.7
196.87146	0.8
209.01248	5.6
209.03017	26.8
209.08189	1.3
210.03438	1.6
221.08267	1.8
223.04538	4.1
241.00308	1.5
265.07153	1.4
267.08792	1.5
295.08209	4.5
311.01260	0.8
325.09296	5.4
368.75424	0.8
385.11551	85.5
386.11938	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.7
55.18510	0.4
56.98021	0.9
57.03450	8.9
58.03778	0.4
58.21141	0.4
58.99570	0.5
59.01382	7.9
61.98830	0.5
65.24292	0.4
68.99827	0.6
69.03452	0.9
69.38059	0.4
69.93340	1.9
69.93752	0.8
71.01385	6.4
72.99313	1.7
73.02938	0.7
74.99091	1.2
75.00883	2.0
79.95747	2.8
80.96528	1.6
83.01395	2.3
84.02174	1.9
85.02959	66.6
86.03278	1.4
87.00880	2.0
89.02466	1.5
95.95223	1.2
96.96022	75.6
97.02962	0.4
97.95979	0.4
98.01666	0.4
99.00906	0.6
101.02462	2.4
102.98595	1.9
103.00380	1.4
111.00891	3.0
115.00348	0.7
120.99670	7.7
122.97617	1.2
129.01955	5.7
131.67725	0.4
133.01424	1.1
134.03769	3.8
135.04449	0.7
138.97086	2.0
147.03014	6.8
148.03389	0.5
149.06087	0.5
149.22960	0.4
150.97084	1.1
160.01653	0.5
162.01579	0.5
164.04829	0.4
173.00945	1.5
174.01675	1.1
175.04050	0.4
177.04030	0.5
180.97971	0.8
185.00925	0.7
190.02777	0.8
191.01987	24.7
192.00714	0.4
192.02397	0.8
193.05090	2.6
193.06570	0.4
198.99246	0.9
205.05093	0.6
209.01219	6.8
209.03033	20.5
210.03322	0.8
223.04491	4.1
223.06401	0.7
235.84805	0.5
241.00192	3.6
256.99728	0.6
385.11737	100.0
386.12036	9.1
387.10638	0.6
397.12711	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.8
57.03448	11.3
58.00574	0.4
58.03775	0.4
58.95929	0.3
59.01377	5.9
65.18082	0.4
68.99819	0.7
70.02767	2.0
71.01385	4.4
72.99317	2.3
73.02934	0.4
75.00880	2.0
83.01397	3.1
84.02168	3.0
85.02957	100.0
86.03290	2.4
87.00881	1.2
89.02450	0.8
96.96013	0.9
98.20694	0.5
101.02455	1.3
103.00385	2.1
103.14608	0.4
111.00897	5.2
115.00375	0.9
129.01953	8.4
133.01492	1.0
134.03769	4.6
143.63148	0.5
147.03008	15.4
147.13286	0.4
173.00906	1.9
191.01988	40.4
192.02374	1.7
193.05032	2.4
196.32259	0.4
209.03036	25.8
210.03409	1.0
313.05148	0.4
385.07587	1.4
385.11795	1.0
398.39877	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.7
57.03447	10.8
59.01377	7.4
68.08565	0.4
68.99814	1.2
70.43248	1.1
71.01385	6.5
72.99331	2.1
73.02933	1.0
75.00874	2.8
83.01392	3.2
84.02168	2.4
85.02959	100.0
86.03290	2.5
87.00884	1.1
89.02460	2.7
96.96021	7.1
99.00910	0.5
101.02470	0.9
103.00389	1.9
103.25921	0.4
111.00903	4.5
115.00374	1.1
129.01953	6.8
133.01440	3.0
134.03770	5.1
138.97139	0.4
147.03017	9.4
147.04129	0.8
149.06183	0.4
173.00970	2.4
191.01994	39.6
192.02306	0.8
193.05070	1.6
209.03032	57.2
210.03354	2.4
223.04652	0.4
254.12123	0.4
367.06946	0.4
385.07904	0.5
385.11755	12.8
386.12061	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98284	0.5
55.01878	6.6
56.15910	0.6
57.03448	8.6
59.01380	13.2
67.37939	0.7
69.03456	100.0
69.70016	1.6
69.70441	2.8
70.03791	2.1
71.01389	4.6
72.99311	4.1
73.02941	1.1
75.00875	1.8
79.01899	1.6
79.95755	1.1
83.01381	2.0
84.02163	2.0
84.41297	0.6
85.02956	64.5
86.03290	1.4
87.00915	1.4
89.02456	2.1
95.01392	2.5
96.96023	9.8
97.02955	17.0
99.00890	25.5
100.01254	1.1
101.02451	2.0
102.98626	1.6
103.00401	0.6
111.00911	3.0
113.02493	1.0
115.00397	1.3
120.99671	3.9
121.02928	0.6
129.01959	5.1
133.01408	1.1
134.03752	3.0
135.03058	0.8
135.04507	0.8
137.02492	1.7
141.01965	8.1
147.03009	6.9
155.10800	5.1
161.04552	0.7
167.06131	2.7
173.01035	0.9
185.00920	69.4
186.01210	2.8
191.01979	21.1
193.05060	1.6
199.09776	2.4
209.01239	3.6
209.03024	16.7
210.03383	0.9
241.00270	1.2
254.09425	1.8
264.07654	1.5
282.08850	1.1
326.07846	6.1
385.11426	15.2
385.18884	1.2
386.12155	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	385.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37097	0.4
55.01872	2.0
57.03446	14.2
59.01377	7.8
63.63232	0.4
68.99808	0.8
70.20022	0.4
70.88986	0.9
71.01386	5.3
72.99310	2.1
73.02955	0.5
75.00868	1.7
81.70191	0.4
83.01381	3.0
84.02168	2.8
85.02957	100.0
86.03300	1.9
87.00883	1.5
89.02461	1.1
99.00922	0.4
101.02464	1.1
103.00384	1.8
111.00888	3.2
115.00362	0.7
117.03528	0.5
119.05060	0.4
128.25891	0.4
129.01958	7.3
133.01465	1.6
134.03780	4.2
147.03027	9.8
149.06120	0.6
173.00888	1.6
190.80266	0.4
191.01997	25.7
192.02388	0.7
193.05098	1.9
209.03030	20.5
210.03429	0.7
235.00313	0.4
362.67102	0.4
385.07715	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	2.7
57.03448	13.0
57.25832	0.4
59.01381	7.1
64.23735	0.4
65.04108	0.4
67.51972	0.4
68.99810	0.8
69.90577	2.9
71.01385	5.0
72.99303	1.4
75.00870	1.9
83.01395	3.4
84.02169	3.4
84.32008	0.4
85.02959	100.0
86.03304	2.5
87.00888	1.5
89.02461	1.4
92.37648	0.5
96.96046	0.6
98.19907	0.9
101.02426	0.9
103.00385	1.8
111.00911	5.2
115.00360	1.2
129.01958	7.0
133.01469	1.1
134.03754	4.4
147.03008	12.9
173.00949	1.5
191.01985	35.4
192.02341	1.0
193.05052	2.6
199.23450	0.4
209.03027	25.1
210.03363	1.0
222.49413	0.6
342.04681	0.4
373.55319	0.5
385.07498	0.9
385.11874	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77741	0.6
55.01872	1.6
57.03448	10.6
59.01379	7.7
70.21176	1.1
70.21586	2.0
71.01395	4.1
72.99304	1.3
75.00872	1.7
83.01378	1.8
84.02183	2.1
85.02959	100.0
86.03300	2.4
87.00890	1.4
89.02468	2.0
101.02460	0.9
103.00356	1.7
111.00892	3.6
122.85601	0.7
129.01961	12.3
133.01477	1.9
134.03738	3.3
147.03017	17.4
164.18620	0.7
173.00929	2.6
191.01994	60.4
192.02312	2.5
193.05127	2.1
209.03044	89.4
210.03317	3.4
235.57062	0.7
385.07669	1.2
391.51080	0.8
391.57071	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.8
56.43203	0.4
57.03445	10.3
58.32726	0.5
59.01374	5.3
68.99830	0.7
71.01389	2.9
71.20496	0.7
72.99314	1.2
75.00861	1.0
83.01382	2.0
84.02163	2.8
85.02956	100.0
86.03310	1.3
87.00879	0.8
89.02446	0.8
101.02470	0.6
103.00383	2.1
111.00903	3.3
115.00367	0.7
129.01952	11.6
133.01468	0.5
134.03761	3.9
147.03008	18.7
149.06067	0.4
165.04083	0.6
173.00905	2.5
191.01979	51.9
192.02286	1.4
193.05075	3.1
209.03027	30.8
210.03331	0.6
223.04593	1.0
242.18933	0.4
289.46683	0.4
323.19473	0.5
367.06607	0.6
385.07898	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43167	0.3
55.01882	2.4
57.03447	12.6
58.03783	0.5
59.01379	5.6
61.63356	0.3
68.99820	0.8
69.50857	2.0
69.51263	0.8
71.01385	3.5
72.99309	1.0
73.02938	0.5
75.00877	1.4
83.01386	2.6
84.02168	3.5
85.02958	100.0
86.03298	2.3
87.00885	1.3
89.02460	0.7
99.00911	0.3
101.02475	0.7
101.57351	0.3
103.00385	1.9
109.17186	0.3
111.00894	3.5
114.72346	0.3
115.00376	0.5
129.01952	9.2
131.53001	0.3
133.01459	0.7
134.03754	3.0
147.03017	13.6
149.06088	0.5
159.48668	0.3
170.24146	0.3
172.20091	0.3
172.99677	0.4
173.00932	2.3
191.01994	33.5
192.02367	1.2
193.05084	2.0
209.03043	16.7
210.03362	0.6
265.19708	0.3
385.07861	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.06
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.2
58.99603	8.1
59.01363	0.9
61.13996	0.4
61.98832	0.7
70.26505	2.2
71.01384	1.4
74.99107	5.3
75.76626	0.5
85.02962	8.9
87.00882	8.2
95.53403	0.4
96.96037	2.9
98.20566	0.4
102.98611	23.9
106.39832	0.5
117.03473	0.4
120.99668	96.4
121.84576	0.5
122.00024	1.6
129.01941	1.0
130.38324	0.4
134.03763	4.1
140.33080	0.5
147.03012	1.3
160.01547	0.5
163.00723	1.7
173.14090	0.4
175.03999	1.4
178.02702	0.8
191.00201	3.5
191.01996	2.8
191.07109	0.6
193.05092	2.4
201.06813	0.4
209.01259	100.0
210.01526	4.7
263.05811	0.6
308.94385	0.4
385.06445	0.9
385.11728	2.2
385.18677	0.9
386.12845	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13906	0.5
57.03455	2.4
58.99602	6.7
59.01380	2.7
61.98830	2.1
69.03449	0.9
69.65714	0.8
69.66129	3.2
71.01392	2.1
74.99104	2.3
85.02957	19.5
87.00885	7.0
89.02441	0.7
95.48637	0.5
96.96004	4.8
102.98609	19.0
111.00912	0.8
120.99667	100.0
121.99983	2.2
124.53780	0.5
129.01897	1.2
134.03751	3.8
147.02989	1.8
151.05289	0.5
163.00763	0.9
170.22397	0.5
175.04039	1.7
185.00848	0.7
191.00186	3.3
191.01974	5.7
193.05083	2.8
208.79468	0.5
209.01257	97.1
209.02948	5.5
210.01637	4.2
267.58490	0.5
334.06589	0.5
360.52557	0.5
385.07065	0.8
385.11697	2.9
385.19031	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	7.2
59.20745	0.3
60.01711	1.1
61.01810	2.3
61.98830	100.0
66.18626	0.4
71.01407	0.7
71.30836	1.0
71.31176	0.4
85.02986	0.5
88.78056	0.4
96.96032	1.2
113.02476	0.4
131.80157	0.4
169.06799	0.4
183.28931	0.4
291.19733	2.0
309.20615	2.1
323.10028	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41184	0.3
57.03436	0.6
59.01371	2.1
63.13136	0.3
69.03423	0.3
69.68046	2.2
71.01392	0.9
75.00204	0.3
83.05035	0.4
88.98816	1.3
89.02451	0.4
91.04019	1.7
95.05017	0.4
96.96042	0.4
97.02944	0.4
97.06596	1.2
98.20606	0.7
111.08162	0.6
113.09741	1.9
115.07669	0.9
121.10264	0.6
125.06092	1.0
126.06895	0.7
128.58865	0.4
131.08293	0.3
139.11317	0.7
141.09224	1.3
145.20543	0.3
151.11340	0.5
153.12869	0.4
161.46330	0.3
163.11278	0.5
163.54099	0.3
165.12856	2.4
167.10780	0.6
167.14413	1.7
179.14500	0.5
181.12369	3.2
183.13921	1.2
191.14340	0.5
193.12357	2.0
193.15970	0.6
195.13908	2.7
211.13391	2.8
213.14989	0.7
221.15511	2.4
229.14453	0.7
231.17397	0.4
237.22197	0.4
239.13013	0.5
240.13626	1.1
241.14355	0.6
247.20638	4.4
248.20862	0.5
263.20163	0.6
265.21692	0.7
273.18533	2.6
281.21207	1.8
291.19653	36.9
292.19962	3.8
298.25641	0.3
309.20709	100.0
310.21057	11.2
314.17319	1.7
383.24356	5.6
384.24472	0.7
394.66071	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.6
58.88637	0.4
59.01375	2.7
61.98822	4.0
66.12760	0.4
70.90992	1.2
71.01374	1.0
73.02962	0.6
76.99484	0.4
83.01399	0.8
84.70996	0.4
85.02988	0.5
86.09078	0.4
89.02454	0.9
91.04005	2.0
97.02952	0.6
97.06580	1.6
99.00893	0.4
101.02441	0.4
104.72328	0.4
113.09745	2.1
115.07645	0.8
125.06121	0.7
126.06892	0.6
126.10018	0.4
127.00378	0.6
139.11293	0.8
141.09190	0.5
151.11333	0.6
154.79721	0.4
163.11278	0.7
165.12828	2.4
167.10782	0.6
167.14450	1.3
181.12285	2.1
181.30026	0.4
183.13870	1.0
189.00336	0.5
193.12354	1.1
193.15993	0.7
195.13916	2.6
211.13335	2.7
213.14964	0.8
215.82175	0.4
217.16013	0.4
221.15552	2.4
229.14497	0.5
240.13641	0.9
247.20642	4.5
248.20805	0.5
253.15681	0.4
255.15936	0.6
260.55835	0.4
273.18591	2.9
281.21219	1.5
291.19644	32.6
292.19958	3.6
309.20697	100.0
310.21027	10.9
314.17392	1.1
322.27652	0.4
383.24121	5.3
383.27417	0.6
384.24606	1.0
390.64014	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32083	0.2
57.03440	0.2
58.02979	0.2
59.01375	1.3
61.98830	100.0
71.01389	0.6
71.72858	0.2
71.73265	0.3
73.02960	0.3
75.00887	0.2
79.95721	0.3
82.36716	0.2
85.02976	0.6
87.00884	0.3
89.02412	0.2
91.05546	0.3
95.95281	0.2
96.96019	7.4
98.95617	0.2
99.00911	0.3
100.70956	0.2
101.02457	0.4
113.02470	0.4
127.88805	0.2
129.10365	3.3
147.04553	1.2
154.08740	0.5
164.07188	2.8
165.07530	0.3
171.11403	2.8
172.11656	0.2
233.16617	1.7
241.00365	0.5
258.11121	0.5
264.84048	0.2
319.16626	10.8
320.16980	1.6
382.12390	1.1
383.13849	9.3
383.21378	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1226
Annotation	Nerolidyl diphosphate
Peak:m/z	Relative Intensity
55.01864	0.2
57.03434	0.3
59.01376	2.4
61.98817	0.4
69.46338	2.0
71.01380	1.8
72.99307	0.2
73.02944	0.3
75.00879	0.3
79.95750	2.3
80.96516	1.2
83.01377	0.4
85.02956	1.0
86.95408	0.2
95.95260	0.8
96.96019	65.7
97.95946	0.5
98.20067	0.8
98.20769	0.3
99.00906	0.3
101.02456	1.3
105.19025	0.2
113.02483	0.6
115.74728	0.2
122.97565	0.7
138.97098	2.3
139.25891	0.2
150.97090	1.2
160.04066	0.3
164.98587	0.4
180.98138	0.7
198.99207	1.1
219.06946	0.2
241.00227	2.5
256.99759	0.3
259.01135	0.4
261.39355	0.2
289.19711	0.2
301.20190	0.4
381.12216	100.0
382.12582	10.8
382.17526	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13317	0.6
53.37912	0.6
55.01892	1.4
56.70230	0.6
57.03456	3.1
57.74126	0.7
59.01377	28.2
60.01708	0.8
60.15347	0.6
61.98844	1.9
65.94308	0.6
67.01902	1.4
68.99832	2.8
69.03470	2.5
69.55887	2.6
69.56325	2.9
71.01388	19.8
71.01759	1.3
72.99311	6.8
73.02961	2.3
75.00879	15.6
79.95773	1.2
81.03487	2.7
83.01402	2.8
83.05074	0.8
85.02962	22.6
85.06598	26.1
86.03297	0.8
87.00890	5.8
89.02452	5.1
93.03479	1.4
95.01386	4.3
96.96021	19.5
97.02374	0.7
97.02948	1.6
98.95626	6.9
98.96491	1.0
99.00896	10.0
101.02468	2.6
103.00421	2.1
111.00891	5.2
111.04557	0.9
113.02460	19.1
114.02798	0.9
115.00370	1.4
117.01959	3.1
117.03475	1.0
119.03526	1.3
119.05049	0.8
125.02493	5.0
129.01985	2.5
130.29680	0.6
131.07156	78.0
132.07515	3.3
133.02980	0.7
134.03746	8.1
136.07700	1.1
138.97087	1.2
141.04317	0.6
143.03558	0.9
149.06038	1.7
157.01540	0.7
160.01671	1.4
161.04570	1.5
163.04074	0.9
175.02507	2.1
175.04054	2.1
177.01938	1.5
187.02440	2.0
189.04083	1.0
193.05058	5.8
205.03529	3.6
219.06483	0.9
231.05191	3.7
241.00203	2.3
242.99797	1.3
249.06134	100.0
250.06502	5.8
250.10707	0.7
259.01361	1.1
321.15421	1.3
381.07098	9.2
381.13943	59.6
382.08395	4.2
382.14114	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	381.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60655	0.8
57.03440	1.3
59.01380	37.6
61.98829	1.5
69.03462	1.1
69.76450	5.3
71.01389	7.1
72.99322	2.9
77.36826	0.7
81.03478	2.0
82.02985	2.1
83.01426	1.6
84.02190	0.9
85.02962	7.4
89.02457	4.5
96.96021	9.5
97.02966	1.0
98.95618	1.6
99.00872	2.1
101.02457	5.7
105.03506	1.0
111.00900	1.7
113.02474	1.7
117.03487	1.7
119.03518	1.8
119.05042	1.2
125.02480	5.8
129.01979	1.7
133.02988	1.4
134.03772	12.5
135.09842	0.9
137.02448	1.4
143.03612	1.0
143.05043	1.3
143.06169	25.0
149.06128	1.1
161.07219	100.0
162.07593	4.5
168.65419	0.8
170.25885	0.8
175.04037	1.7
176.75029	0.8
177.01962	17.3
187.02519	1.2
193.05052	11.9
194.05444	1.0
204.07791	81.6
205.03596	6.9
205.08134	6.1
218.09270	1.2
230.09334	25.0
231.09720	1.2
235.11815	0.9
241.00314	1.3
244.10867	1.3
249.13448	1.7
272.10394	14.5
273.10684	1.3
277.12015	1.7
295.12863	4.5
302.11490	1.6
320.12537	12.6
321.12714	1.4
338.13586	81.6
339.13864	8.3
352.02734	1.0
381.07913	4.7
381.17484	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96557	0.2
59.01372	0.7
61.98834	0.2
69.79808	0.2
70.85286	0.4
70.85609	0.4
71.01382	0.8
72.99326	0.4
73.02959	0.6
79.95744	3.5
80.96519	1.7
83.01405	0.5
85.02966	0.6
87.00890	0.7
89.02453	0.2
94.98112	0.5
95.95256	1.2
96.96024	100.0
98.95612	0.5
101.02476	1.6
113.02470	0.6
120.01141	0.2
122.97607	1.0
124.01689	0.9
138.97063	1.0
139.04008	0.6
150.97078	1.0
152.98653	5.9
166.96603	0.3
180.98143	2.2
213.00652	0.3
225.00766	0.5
225.41208	0.2
241.00235	26.0
242.00562	0.9
298.52469	0.3
330.48825	0.2
381.04965	57.5
382.05261	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	381.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.1
57.03443	5.9
58.00586	0.9
59.01380	21.0
61.98835	1.5
67.01891	1.3
68.99833	1.8
69.03465	4.6
70.91683	2.3
71.01390	11.5
72.99309	13.6
73.02945	1.6
75.00872	3.5
79.95723	1.1
81.03467	32.7
82.03840	1.2
83.01389	5.2
84.02180	0.8
85.02959	49.2
86.03300	1.1
87.00888	2.9
89.02473	2.3
89.03973	2.8
93.03461	1.1
95.01391	1.3
96.96020	10.0
97.02976	5.4
98.95609	3.1
99.00884	12.3
99.04557	1.4
101.02445	6.1
103.00399	4.0
111.00889	4.5
113.02463	4.1
115.04013	1.1
117.01983	1.2
117.03474	8.6
119.05047	0.9
124.01695	4.0
125.02462	94.4
126.02796	3.9
129.01941	1.5
132.02209	2.6
133.02971	0.9
134.03761	100.0
135.04036	4.6
137.02470	2.3
143.03503	7.9
149.06079	9.7
159.03064	2.6
160.01669	12.6
161.02441	1.5
161.04559	18.2
163.04034	1.4
169.01465	0.9
175.00284	0.8
175.04018	22.6
176.04323	1.1
178.02724	5.8
181.78650	0.8
183.27794	0.7
187.00833	1.2
187.02493	24.5
187.04114	1.5
193.05074	71.3
194.05397	3.7
205.03535	47.8
206.03883	2.0
214.41626	0.7
217.06165	0.8
217.08717	1.6
219.06552	1.3
241.00084	1.6
249.13414	8.2
299.71634	0.8
337.09363	1.7
381.08154	19.5
381.17776	4.7
382.08286	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	381.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67636	0.5
55.01879	1.6
57.03444	2.3
57.72075	0.6
58.00585	0.9
59.01089	1.3
59.01379	23.1
61.98824	1.6
66.11246	0.6
67.01891	0.6
68.99818	1.8
69.03465	2.5
71.01386	100.0
71.72932	0.6
71.73334	0.9
72.01716	2.0
72.99314	0.7
73.02951	7.5
81.03453	2.9
83.01392	12.4
84.02216	0.8
85.02957	14.8
85.15807	0.6
87.00907	1.1
87.04526	7.1
89.02449	6.7
89.06094	9.6
95.01405	4.6
96.96020	5.8
97.02950	2.2
99.00903	2.1
99.04557	0.6
101.02460	8.2
112.01673	2.4
113.02463	16.7
115.52473	0.6
121.02970	28.7
121.03853	1.4
122.03358	0.8
125.02464	4.2
131.07137	1.4
143.03500	2.6
155.07173	0.9
157.08723	0.9
161.04561	2.5
163.65453	0.7
165.01909	4.3
185.08107	0.8
203.09241	1.6
233.10292	16.6
237.07718	6.6
241.14413	1.8
256.11429	2.4
291.08704	1.7
381.11862	48.3
381.65298	1.3
382.12253	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	380.1561
Annotation	cis-Zeatin-O-glucoside
Peak:m/z	Relative Intensity
55.01869	0.4
56.68019	0.3
57.03458	0.5
58.00580	0.5
59.01379	18.2
69.89853	2.6
69.90203	0.6
71.01382	34.5
71.05022	6.5
72.01728	0.8
72.99316	0.6
73.02953	1.9
79.95732	1.0
80.96523	0.8
83.01398	1.2
85.02950	4.0
87.00883	1.1
88.04057	4.4
89.02453	8.3
96.96018	27.1
98.95587	1.9
98.96428	0.3
99.00889	0.8
99.04512	2.3
101.02446	9.1
113.02464	4.0
116.03561	1.0
116.07195	1.2
119.03545	2.3
128.07202	2.4
129.05573	0.9
138.01984	2.9
138.97066	1.3
146.08244	60.8
147.08650	2.1
161.04617	1.9
180.98151	0.5
200.09256	1.2
218.10295	0.8
241.00226	11.5
242.00439	0.8
250.06635	0.4
261.44095	0.4
263.11368	0.7
308.13498	5.2
362.14465	1.4
380.02829	6.7
380.07410	10.5
380.15619	100.0
381.07211	2.4
381.16043	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	379.2853
Annotation	Persin
Peak:m/z	Relative Intensity
53.60666	1.2
54.59248	1.1
59.01365	2.1
61.98816	4.4
63.04969	1.2
65.69534	1.2
69.84285	7.7
96.96005	1.7
98.20614	2.7
99.92570	4.4
115.92093	2.5
116.92852	4.9
123.19910	1.3
157.79178	1.2
180.26765	1.3
197.29662	1.4
261.18384	1.7
279.23245	2.7
347.25922	7.9
378.62323	1.3
379.15988	2.3
379.28528	100.0
380.28857	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	380.0293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.5
55.07570	0.3
57.03443	1.1
59.01380	15.2
59.10891	0.3
59.85897	0.3
60.01708	0.9
61.98823	0.5
69.03451	1.1
71.01388	6.0
71.72365	0.6
72.01711	0.7
72.99310	1.2
73.02946	1.5
75.00886	0.5
75.28400	0.3
79.95737	3.5
80.96530	1.5
81.03467	0.9
83.01385	1.3
85.02962	5.7
86.03304	0.3
87.00886	1.1
89.02454	6.8
90.02800	1.0
93.03446	0.5
95.95272	0.5
96.96023	100.0
97.02923	0.5
97.95940	0.6
98.95629	0.7
99.00907	0.9
101.02460	4.9
102.02826	0.5
108.02186	3.4
111.00908	1.9
111.04538	0.4
113.02441	2.1
114.02799	0.6
117.03509	0.4
119.03526	1.6
119.05041	0.9
120.03846	0.4
122.97617	1.2
123.74761	0.4
125.02455	1.9
129.01971	0.7
131.03543	0.9
134.03749	3.3
135.04506	0.5
137.02477	0.5
138.01990	51.4
138.97083	1.5
139.02353	1.9
143.03535	0.6
144.20917	0.4
145.02943	0.5
149.04575	1.5
149.05893	0.5
150.97087	0.8
152.98642	5.7
155.03493	0.6
155.10831	0.4
161.04596	0.9
163.03993	0.8
164.04419	0.5
173.04535	0.9
174.04922	0.5
175.04056	0.6
177.01982	0.8
179.05620	1.1
180.05981	0.4
180.98177	2.2
187.02472	0.5
191.05611	0.5
193.05057	2.8
199.09737	0.4
205.03531	1.1
233.06627	1.3
234.07068	1.1
235.11880	1.1
241.00233	82.4
242.00522	3.1
247.11742	0.6
320.08499	0.4
379.15988	0.7
380.02975	36.8
380.07349	4.4
380.16611	1.6
381.03232	3.6
381.07806	1.2
381.12396	0.4
381.17389	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.0295
Annotation	Cimicoxib
Peak:m/z	Relative Intensity
55.60693	0.3
57.03452	0.3
57.40570	0.2
59.01379	1.4
70.91434	0.7
70.91777	0.4
71.01378	2.6
72.99313	0.3
73.02955	0.3
79.95741	3.1
80.96529	3.4
83.01402	0.4
85.02949	0.9
86.42027	0.3
87.00878	1.1
89.02432	0.4
94.98050	0.3
95.95193	0.3
96.96021	100.0
97.95934	0.4
98.95559	0.4
99.00906	0.7
99.76810	0.3
101.02461	1.1
107.15479	0.3
108.02201	1.0
109.94697	0.3
113.02453	1.1
120.72520	0.3
122.97625	0.4
125.02503	0.5
138.01988	14.5
138.97093	10.2
139.02379	0.7
143.03499	0.6
150.97086	1.2
164.98654	1.4
168.98210	0.6
171.88016	0.3
180.98119	1.3
186.94928	0.3
191.46086	0.3
222.99167	1.9
241.00240	54.9
242.00583	3.2
276.76184	0.3
300.07410	0.4
329.57922	0.3
345.04080	0.3
380.02948	40.8
380.07230	2.5
381.03293	3.7
381.07907	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39449	1.2
53.28559	1.1
59.01379	100.0
60.01721	1.9
61.98829	9.3
62.81722	1.0
69.03445	2.6
70.46190	5.4
71.01393	6.9
72.99298	1.3
73.02953	7.6
83.01398	1.9
85.02959	7.2
87.00888	1.6
89.02467	1.7
96.73751	0.9
96.96011	6.0
99.00895	4.6
101.02453	22.5
101.23242	1.1
113.02460	4.4
113.65312	1.1
136.61514	1.1
140.27919	1.1
154.70613	1.1
161.04550	1.0
168.14955	1.1
207.28253	1.3
319.21249	32.0
320.12793	1.2
320.21570	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	379.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73210	0.1
59.01378	100.0
60.01715	1.3
61.11702	0.1
61.98824	0.3
71.01394	0.5
71.05248	0.4
73.02966	0.3
83.70826	0.1
85.02959	0.2
96.96059	0.2
101.02441	1.0
161.04616	0.2
274.87756	0.2
292.02396	0.2
292.41428	0.2
319.21262	2.4
320.21826	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61637	0.5
55.01875	1.3
57.03451	7.9
59.01378	96.9
60.01727	1.2
62.35749	0.5
63.56543	0.5
67.01900	1.8
68.76090	0.5
69.03458	22.8
69.71410	4.5
69.71735	0.5
71.01385	6.1
72.99306	1.1
73.02959	2.0
75.00875	1.2
78.95932	0.7
79.95744	1.3
80.96518	0.8
81.03482	1.3
83.01389	0.6
83.05035	2.1
85.02958	9.3
87.00896	1.5
88.04090	0.7
88.98794	1.2
93.03465	21.9
94.03826	1.4
95.01432	1.0
95.95242	0.8
96.96014	18.3
97.02943	6.2
98.20600	0.7
98.95634	1.0
99.00888	8.2
99.04525	4.4
101.02448	4.1
105.06459	0.6
105.34099	0.7
109.02956	1.2
111.00895	1.4
111.04533	4.7
113.02466	2.0
115.00397	1.1
117.03468	4.0
119.03590	0.7
119.05042	16.9
120.05370	0.8
125.02455	1.6
127.04016	1.4
129.01961	1.2
134.03760	2.0
137.02464	10.9
138.97112	0.8
141.01952	2.3
145.02971	16.0
146.03362	1.0
147.03021	0.7
155.03517	6.9
161.04515	0.8
162.91730	0.6
163.04036	12.2
166.99911	0.6
173.04565	62.0
174.04919	2.2
185.00914	11.5
185.03596	0.6
187.02756	1.0
191.02034	1.4
191.05649	3.2
193.05045	0.7
203.01974	4.9
205.03577	0.7
217.14638	0.7
233.06657	100.0
234.07007	5.6
235.11876	2.3
241.00146	2.9
249.06337	0.8
314.88522	0.6
319.08185	16.4
319.11536	1.1
320.08615	1.2
327.09988	1.3
337.09311	0.6
347.12360	0.7
379.06403	5.0
379.11234	5.3
379.15411	1.1
379.20001	3.6
380.03220	0.6
380.17175	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	379.104
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51234	0.5
50.91659	0.5
57.03449	1.6
59.01377	100.0
60.01703	1.7
60.99296	0.7
61.98843	1.2
67.01889	1.5
69.03456	9.8
69.41474	1.0
69.41883	4.8
71.01374	3.7
72.99280	0.8
73.02956	0.7
75.00885	0.8
76.73009	0.4
78.66366	0.6
79.95748	2.3
80.94815	0.4
80.96529	0.7
81.03453	1.3
83.01392	0.5
83.05034	2.1
85.02952	8.8
87.00883	1.5
89.02473	1.2
93.03469	17.8
93.40047	0.5
94.03800	0.8
95.01398	0.8
95.95260	0.8
96.96020	38.5
97.02961	2.0
97.30009	0.5
99.00897	3.6
99.04505	0.6
101.02450	1.5
103.00413	0.5
109.02962	1.4
111.00877	1.2
111.04530	5.8
113.02475	1.3
117.03481	6.9
119.05042	30.2
120.01272	1.0
120.05401	1.5
127.04033	1.2
129.01950	1.1
130.05154	1.1
137.02451	5.7
138.02852	0.7
138.97078	1.0
141.01961	0.5
143.03455	0.5
145.02975	28.7
146.03273	1.3
147.03017	0.7
155.03508	6.7
163.04033	23.9
164.04358	0.6
173.04565	48.5
174.04887	1.9
180.98233	0.5
185.00919	4.1
185.03726	0.5
191.01929	1.5
191.05647	5.4
215.05675	3.5
217.10670	0.9
233.06665	80.4
234.06999	4.5
241.00211	2.9
243.01869	0.7
249.06047	1.7
259.01096	0.9
275.02042	0.5
285.08804	1.8
290.04636	1.4
291.05334	0.9
319.08240	31.2
320.08490	3.8
335.26401	0.6
337.09161	0.7
368.90118	0.6
379.06888	23.1
379.10559	2.1
379.15298	1.1
380.07199	1.4
380.11798	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.4
59.01379	14.6
69.03451	1.3
71.01380	5.3
72.99284	0.4
73.02944	0.5
79.28349	0.3
79.95731	3.6
80.96527	1.8
83.01398	0.4
85.02954	2.3
87.00848	0.3
89.02451	4.9
93.03462	0.9
95.95245	0.6
96.96019	83.1
97.02970	0.4
98.19907	0.7
98.20584	1.1
99.00919	0.6
101.02457	4.1
107.05052	1.6
109.73657	0.3
111.04530	0.4
113.02464	1.9
117.03445	0.4
119.03540	2.1
119.05035	5.6
120.05325	0.5
122.97608	0.9
135.04546	3.5
137.02380	0.3
137.06120	1.8
138.97075	3.7
143.03381	0.3
145.02965	1.2
150.97075	1.2
152.98663	0.5
153.03017	0.3
155.03519	0.7
163.04063	2.5
164.98633	0.4
173.04573	1.8
180.98131	0.9
185.00966	0.6
198.99170	1.2
206.69098	0.3
215.05621	0.5
222.99249	0.3
233.06693	2.7
241.00224	11.6
242.00674	0.6
259.01352	0.7
272.58829	0.3
279.97882	0.3
314.61774	0.3
319.08264	1.2
333.49023	0.3
341.08664	0.8
379.07016	100.0
380.07315	11.0
380.14993	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11670	0.2
59.01381	0.9
69.76004	1.5
71.01384	1.6
72.99323	0.2
73.02937	0.4
76.04916	0.2
79.95736	3.1
80.96523	1.5
85.02954	0.8
87.00880	0.6
95.95256	0.8
96.96019	100.0
97.95936	0.4
99.00893	0.3
101.02457	0.7
113.02475	0.5
122.97614	0.6
137.06120	0.7
138.97099	4.3
143.03491	0.5
146.08330	0.2
150.97075	1.2
155.52634	0.2
164.98666	0.4
168.98112	0.4
180.98141	0.7
209.08206	0.3
210.06551	0.2
218.10463	0.2
218.43488	0.2
222.99161	1.1
227.13649	0.2
241.00223	16.4
242.00475	0.7
260.95679	0.2
304.54785	0.2
316.80872	0.2
352.97522	0.2
363.69766	0.2
375.49173	0.2
379.07034	58.6
380.03226	0.3
380.07361	6.0
380.15601	0.5
391.10217	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43950	0.3
54.26419	0.2
54.96615	0.2
55.01881	0.2
57.03436	0.7
59.01379	4.4
61.98795	0.3
69.60681	0.9
69.61103	1.3
71.01385	2.4
72.99310	0.4
73.02955	0.9
79.95742	3.4
80.96525	2.2
83.01395	0.4
85.02953	1.2
85.06594	0.3
87.00871	0.4
87.06229	0.2
87.10110	0.4
89.02456	0.9
94.98145	0.3
95.95261	0.7
96.96021	93.4
97.02959	0.3
97.95943	0.5
99.04513	0.6
101.02455	1.8
113.02451	0.9
119.05051	0.8
122.97575	1.5
125.02425	0.4
129.05595	0.3
137.06104	0.6
138.02028	1.3
138.97101	1.9
150.97067	2.1
152.98616	1.3
164.98647	0.5
180.98134	1.0
222.99170	0.3
241.00230	11.5
242.00577	0.8
248.09239	0.3
322.84946	0.3
379.07040	100.0
380.02890	1.9
380.07306	10.5
380.15582	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.8
57.03444	2.8
59.01379	100.0
60.01723	1.2
65.84200	0.5
67.01894	1.1
67.45567	0.5
68.99834	0.5
69.03460	27.5
69.53893	4.6
70.03815	0.7
71.01393	3.4
73.02959	1.0
79.95756	0.7
81.03442	0.6
83.05018	1.0
83.70821	0.5
85.02962	4.8
85.52848	0.5
86.03260	0.6
87.00931	0.5
88.98846	1.3
93.03472	7.6
93.23643	0.6
95.01415	1.1
96.96023	8.6
97.02960	5.7
98.19906	0.8
98.95590	1.1
99.00893	6.4
99.04539	1.6
101.02463	1.6
102.35826	0.6
111.04533	3.4
113.02461	0.9
117.03486	1.8
119.05042	5.3
127.04018	0.6
129.01981	0.7
134.03757	1.1
137.02469	1.5
141.01958	2.4
145.02966	5.4
146.03416	0.4
147.03017	0.7
155.03516	4.7
163.04005	3.5
173.04559	30.4
174.04877	1.1
185.00926	13.1
185.02495	0.9
188.86484	0.5
191.05553	2.9
203.01978	6.5
217.14377	0.6
233.06664	94.8
234.06976	6.5
241.00240	3.0
296.37985	0.5
319.08142	7.6
379.06750	1.9
379.11176	2.3
379.19574	3.5
398.66382	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22126	0.5
53.82753	0.6
55.01886	5.0
57.03447	4.6
59.01381	8.9
67.01887	0.7
69.03460	100.0
70.03785	3.3
70.04195	1.9
71.01363	3.5
72.99322	2.0
73.02952	0.7
75.00888	0.7
78.95911	0.9
79.01898	1.5
83.01402	1.0
85.02957	16.3
87.00888	0.7
88.98827	2.8
93.03440	0.8
95.01417	2.3
96.96023	10.3
97.02966	17.0
98.20529	1.1
99.00250	1.3
99.00895	24.6
99.04531	1.4
99.56046	0.5
101.02435	1.5
111.00912	1.5
113.02489	1.7
116.61655	0.6
117.03419	0.7
123.00928	1.4
129.01974	2.4
131.03581	0.7
134.03787	5.4
135.04071	0.6
137.02530	0.8
141.01968	10.4
147.03036	1.7
157.08493	0.6
173.04587	2.5
178.02701	0.8
183.49734	0.6
185.00931	44.1
186.01340	1.8
187.02708	1.5
191.02000	4.9
193.05119	4.4
201.11311	0.7
203.01988	1.1
209.11916	1.2
233.06627	3.5
236.41148	0.6
241.00220	0.8
247.66440	0.7
254.08199	0.9
256.20209	0.6
287.48816	0.7
309.08679	1.0
327.10037	0.9
338.64288	0.7
373.17984	0.8
379.06781	3.8
379.10864	1.6
380.07153	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.4
57.03448	0.3
59.01102	0.3
59.01381	3.9
67.01882	0.2
69.79379	1.4
70.20299	0.2
71.01379	3.2
72.99303	0.8
73.02937	1.0
74.10827	0.2
75.67181	0.2
77.37511	0.2
79.72673	0.2
79.95741	4.0
80.96529	2.7
83.01385	0.9
85.02946	2.8
87.00900	0.6
89.02453	0.6
94.98100	0.2
95.95242	2.5
96.96019	93.8
97.02972	0.2
97.95958	0.7
98.95616	0.2
99.00898	0.3
101.02450	2.3
111.00861	0.2
113.02470	0.9
119.03509	0.3
122.97601	1.4
129.01947	0.2
135.04518	0.2
138.97067	1.1
143.03520	0.4
147.02979	0.2
149.02466	0.2
150.97101	2.0
161.04596	0.2
164.98598	0.8
180.98170	1.5
191.01913	0.5
198.99229	0.4
221.03246	0.2
229.41377	0.2
241.00233	4.2
242.00296	0.3
245.13954	0.3
317.16000	0.6
335.17087	0.6
345.11023	0.3
377.09100	100.0
378.09442	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	375.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00777	0.6
55.01873	3.3
57.03448	13.0
58.00591	1.2
59.01380	34.1
61.98822	2.3
63.96277	0.6
66.87141	0.5
68.99846	0.8
69.03450	0.9
71.01389	22.1
71.49354	0.9
71.49696	0.5
72.99313	3.0
73.02947	5.1
74.34707	0.5
75.00880	1.9
78.33953	0.5
83.01398	5.6
83.05029	0.6
84.02181	3.1
85.02960	100.0
86.03284	2.5
87.00894	3.5
89.02453	16.1
95.01408	1.7
96.96025	5.0
97.02966	0.5
99.00897	2.2
101.02455	18.3
102.53772	0.5
103.00385	2.0
111.00890	4.2
113.02448	7.1
115.00363	0.8
119.03513	7.0
120.01296	1.8
123.87274	0.5
125.02448	0.7
125.06097	0.6
128.03554	1.1
129.01965	10.4
131.03535	1.7
133.01448	0.6
134.03761	2.2
135.01350	0.5
143.03621	1.0
143.04698	1.8
147.03026	10.2
147.60773	0.6
149.06026	0.6
161.04588	2.3
169.12419	0.8
172.57849	0.5
173.00966	1.8
175.03984	0.9
177.09227	4.0
179.05664	3.1
183.10246	1.8
184.08794	0.6
191.01990	37.1
192.02408	1.2
193.05093	2.2
195.10268	1.0
209.03017	2.0
212.08263	2.6
219.13107	0.6
240.53937	0.5
241.00351	0.6
241.07256	1.0
251.12878	0.5
255.08900	10.5
256.09238	0.9
303.05563	0.5
314.99789	2.7
315.99966	0.6
340.38290	0.6
357.11545	0.5
357.15564	9.7
358.16068	1.3
375.12741	4.2
375.16675	47.1
376.13193	0.5
376.17148	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	375.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	4.1
57.03443	1.3
59.01376	3.4
61.98821	0.7
62.51586	0.3
66.29048	0.3
66.91428	0.4
69.03447	0.3
71.01392	3.2
72.99292	0.5
73.02949	0.9
75.00874	4.0
78.95914	1.2
79.95742	0.5
84.77528	0.4
84.78009	0.3
85.02965	2.3
85.53674	0.3
87.00876	1.5
87.13915	0.4
89.02457	1.3
91.68756	0.3
96.96022	6.4
96.96964	0.7
98.19906	0.5
99.00893	2.0
101.02453	2.1
104.98491	0.3
105.01965	2.1
111.08191	1.9
113.02474	0.7
122.97546	0.4
129.01959	2.4
131.03519	0.3
147.03003	5.2
148.03349	0.4
165.04060	11.4
165.12865	27.3
166.13130	1.8
175.02669	0.5
176.86783	0.4
183.13911	100.0
184.14252	7.5
185.11688	0.4
191.10826	0.5
209.11792	2.1
210.99168	0.9
227.12883	94.0
228.13216	8.7
313.03769	0.3
322.54498	0.3
357.26630	0.5
372.59271	0.4
375.12622	1.3
375.16599	30.8
375.27435	14.8
376.16934	4.3
376.27698	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	377.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84485	0.2
52.82682	0.2
55.01863	0.6
57.03452	2.1
59.01377	4.9
59.93849	0.3
69.03480	0.3
69.53690	2.8
71.01385	2.9
72.99316	0.7
73.02954	0.9
75.00857	0.5
79.95745	4.2
80.96540	1.8
83.01384	0.9
84.02182	0.4
85.02957	16.4
86.03294	0.6
87.00888	0.8
89.02459	0.9
95.01385	0.3
95.95237	3.4
96.96018	87.7
99.00905	0.3
101.02448	1.9
103.00356	0.4
111.00900	0.8
113.02478	0.7
119.03538	0.5
122.06010	0.3
122.97614	1.0
129.01999	1.4
135.04539	0.8
138.97090	5.5
147.03029	2.0
150.97057	1.4
151.97783	0.3
153.09210	0.4
160.04025	1.2
161.04868	1.6
164.98552	0.6
168.98122	0.6
173.00964	0.4
177.04024	0.7
179.03485	0.6
180.98125	0.8
181.05058	0.3
191.01982	5.8
198.99222	2.9
205.03827	3.9
209.03067	0.4
212.90793	0.3
213.00739	0.3
215.09180	0.4
222.99098	0.5
241.00223	5.0
256.99728	0.8
259.01154	0.7
301.11945	0.5
335.20496	0.3
345.10944	3.1
356.43213	0.3
377.09113	100.0
378.09442	10.6
399.06006	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.9
57.03447	14.1
58.03764	0.3
59.01377	8.0
60.04443	0.3
60.96145	0.3
68.99808	0.8
71.01384	3.0
71.50369	0.5
71.50706	0.4
72.99308	1.2
75.00878	0.7
75.22672	0.3
83.01400	2.2
84.02176	3.5
85.02957	100.0
86.03288	2.5
87.00889	1.2
96.96046	0.4
101.02473	0.5
103.00381	2.2
106.18737	0.3
111.00909	0.9
115.00375	0.5
116.34220	0.3
129.01959	8.8
147.01842	0.6
147.03012	10.3
148.03380	0.4
173.00897	0.8
183.13896	2.3
191.01990	37.7
192.02301	1.7
209.03032	4.1
357.15469	0.8
375.16617	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.0
57.03448	12.9
59.01380	6.8
61.54870	0.3
61.98843	0.5
64.86477	0.3
68.99811	0.8
71.01387	2.6
71.72742	0.4
72.99311	1.4
73.02939	0.7
75.00875	1.3
83.01397	2.0
84.02173	2.2
85.02958	100.0
86.03298	2.1
87.00892	1.1
89.02441	0.5
101.02472	0.6
103.00401	2.1
105.97518	0.3
111.00881	3.7
115.00459	0.5
129.01965	10.5
133.01421	0.4
147.03023	10.6
173.00938	2.1
183.13925	2.2
191.01982	36.2
192.02364	1.3
209.03041	3.4
222.32069	0.4
278.01767	0.4
309.36142	0.3
375.16821	2.7
375.21237	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86169	1.1
59.01376	3.9
61.98831	100.0
69.45397	2.5
69.45808	7.2
77.55457	1.0
82.23204	0.9
163.39880	0.9
186.20929	1.1
197.24603	0.9
372.08685	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
59.03301	0.5
60.01699	0.8
60.88464	0.5
61.98828	5.9
62.33720	0.6
69.54401	4.3
72.70573	0.6
96.96041	1.0
143.68930	0.6
179.92514	0.6
223.20703	1.0
273.29068	0.5
314.27023	2.1
374.24582	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	375.1299
Annotation	4-Methylantirrhinoside
Peak:m/z	Relative Intensity
57.03442	8.1
58.00589	2.6
59.01379	48.1
61.98816	1.3
67.06706	1.2
69.03462	3.6
70.14915	5.8
71.01387	27.5
72.99328	1.4
73.02960	2.3
75.00891	1.6
79.95760	3.0
81.07101	2.9
83.01391	2.3
83.05032	1.7
85.02959	30.6
87.00886	100.0
88.01227	2.6
89.02456	25.2
93.03479	1.4
95.01402	2.8
95.05051	3.1
96.96024	48.5
98.95608	5.3
98.96456	1.4
99.00909	1.8
101.02454	12.3
103.00380	1.7
105.07169	1.1
107.08676	2.9
109.02964	1.8
109.06563	1.4
110.97510	1.6
111.04519	1.9
113.02457	18.6
113.06097	2.9
115.00408	1.3
117.00236	1.1
119.03501	9.2
121.06600	1.7
122.28408	1.2
123.08185	2.5
125.06099	39.8
126.06430	1.5
129.01961	2.4
131.03575	1.6
134.03764	2.4
135.01263	2.1
137.06107	2.4
139.07713	1.2
143.03506	2.3
147.03003	4.9
149.06120	4.7
149.09750	1.8
151.07692	7.9
153.09198	1.5
161.04617	5.0
167.07158	5.6
169.08702	2.0
175.03966	3.3
177.02031	1.5
179.05652	7.2
189.12880	8.7
190.13213	1.3
191.01978	7.7
193.05037	3.4
195.06673	13.0
197.08246	4.2
213.07690	81.3
214.08017	7.1
219.03000	2.2
227.09201	2.7
233.04692	1.1
237.04131	1.9
240.99957	1.1
251.12831	5.5
255.08728	1.7
267.07040	1.3
267.43091	1.0
287.11346	2.9
295.11902	6.0
297.11691	1.1
314.71826	1.1
337.05640	4.6
357.11908	1.2
375.03577	1.3
375.07529	26.8
375.12619	24.7
375.17334	1.3
376.07742	3.2
376.13004	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	373.1868
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
55.01880	0.3
57.03442	0.3
58.00582	0.3
59.01378	100.0
60.01719	1.5
69.03457	0.4
69.73338	1.9
71.01384	9.2
71.05006	0.2
72.99318	0.6
73.02946	8.3
73.03346	0.4
74.03333	0.2
75.00858	0.3
79.95733	0.2
83.01397	2.3
85.02967	2.7
85.34138	0.2
87.00896	0.4
89.02451	4.5
95.01390	0.6
95.85304	0.2
96.96046	0.8
98.20566	0.5
101.02452	7.5
101.03091	0.5
107.42265	0.2
113.02457	4.1
114.02850	0.3
115.07721	0.3
119.03503	1.5
125.02509	0.3
131.03563	0.8
143.03574	0.4
149.04628	0.3
155.03493	0.3
161.04640	0.9
162.71005	0.2
179.05687	0.6
181.12444	0.3
197.11928	0.7
225.14891	0.4
241.10922	0.4
267.07208	0.3
269.17578	0.5
271.15515	0.6
298.62216	0.2
313.16699	0.7
331.17825	0.8
373.18857	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39844	0.8
57.03431	1.0
59.01378	100.0
60.01715	1.4
61.98830	1.8
63.55670	0.8
69.41031	8.6
69.41437	1.8
71.01369	5.1
72.99329	0.8
73.02966	1.8
75.00888	1.3
79.95741	3.7
85.02962	5.0
85.23943	0.8
88.15739	0.8
96.96024	11.2
97.47930	1.0
98.95656	2.0
101.02464	1.4
102.59425	0.9
103.70335	0.8
113.02440	2.0
121.91234	0.7
126.66121	0.8
138.08479	0.8
147.58195	0.8
155.10779	1.0
160.04041	2.0
161.04607	1.2
162.05661	1.0
181.12383	0.8
209.11937	1.6
225.14970	62.5
226.15276	5.3
269.13959	11.7
270.14178	1.0
285.07071	6.1
285.57205	1.5
287.14920	1.9
296.58084	1.4
307.06458	1.4
329.16022	8.1
331.17603	1.5
355.09485	1.6
373.10162	2.6
373.25876	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	373.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	3.3
57.03450	16.6
58.00591	0.7
59.01378	10.1
59.96770	0.7
61.98831	15.9
67.01884	0.8
67.26313	0.6
68.99835	0.9
69.40410	6.2
69.40824	1.2
71.01385	8.6
72.99306	1.2
73.02946	3.9
75.00885	2.2
79.95732	1.9
81.29581	0.6
83.01398	8.9
84.02183	2.6
85.02960	100.0
86.03294	2.7
87.00867	1.3
89.02454	0.9
91.05402	0.8
95.95242	1.8
96.96027	12.2
98.95616	2.5
99.00845	1.2
101.02470	7.0
111.00894	29.5
112.01224	1.2
113.02470	1.2
121.02975	2.7
129.01961	40.2
130.02271	1.5
131.03514	2.5
147.02969	1.6
161.04587	2.5
165.01915	2.5
167.10846	5.1
169.12390	0.7
169.41281	0.7
171.10316	0.9
177.04030	0.9
185.11848	2.0
187.02507	1.6
189.95885	0.6
191.01987	4.2
205.03535	26.0
206.03822	1.6
215.12848	2.0
223.04645	4.2
225.07779	0.7
241.00291	0.9
249.10677	3.2
306.14148	2.8
306.64349	9.0
307.14383	5.3
327.25488	0.9
331.06210	0.7
343.24866	1.9
355.24796	1.2
358.40948	0.9
373.14182	2.6
373.25943	34.4
374.14200	3.0
374.26340	2.9
385.80093	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.9
57.03448	1.4
59.01379	24.9
61.98806	0.5
69.03463	1.0
71.01383	6.8
71.73170	0.6
72.99321	1.6
73.02942	1.8
75.00867	0.8
79.95744	3.0
80.96517	2.2
83.01395	1.0
83.05053	0.4
84.02219	0.3
85.02450	0.6
85.02957	9.6
86.03291	0.8
87.00880	1.1
89.02440	3.3
95.01395	0.4
95.95216	0.8
96.96021	85.0
98.57402	0.3
99.00893	0.7
101.02464	2.8
108.97881	1.8
111.00897	0.6
113.02473	1.4
115.04029	0.8
119.08678	4.0
121.02947	0.7
122.97612	1.0
129.01950	0.8
131.03484	0.8
138.97075	2.2
147.03014	1.1
149.04561	2.6
150.97093	1.7
160.01645	0.4
161.98213	0.3
163.07625	2.8
164.04675	0.4
164.98624	0.6
169.08682	0.4
179.10771	1.2
180.98140	1.1
183.10275	0.5
187.02763	1.7
188.03177	0.9
191.01971	0.8
195.06580	0.3
196.99496	1.0
197.11842	1.4
198.99245	0.7
199.09772	1.3
209.03053	1.0
216.76053	0.3
219.01752	0.5
223.09401	0.3
241.00227	4.8
241.10805	1.2
271.02036	1.1
298.09268	0.5
300.02823	0.4
309.08737	1.1
310.08923	0.9
313.12946	8.7
313.16608	0.6
314.13318	1.0
327.09796	2.2
328.10321	1.9
329.10498	1.1
331.13989	0.6
342.11429	0.4
373.11707	100.0
374.12054	10.2
374.19971	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.4
57.03448	0.6
59.01379	4.6
61.89266	0.2
61.98836	0.3
64.03624	0.2
69.03463	0.4
69.38702	2.0
69.39117	0.6
71.01388	3.0
72.11323	0.2
72.99325	0.7
73.02950	1.5
74.02499	0.2
75.00868	0.5
79.95744	2.8
80.96529	2.3
83.01393	0.9
85.02964	3.9
86.03321	0.3
87.00869	0.6
89.02457	0.8
93.03405	0.3
95.95251	0.6
96.96024	85.5
97.02962	0.2
97.95950	0.4
101.02451	2.0
108.97891	0.4
111.04560	0.2
113.02487	0.7
115.03999	0.4
119.08676	0.4
121.02987	0.2
122.97594	1.4
129.01927	0.5
134.08400	0.2
138.97058	1.9
148.67166	0.2
149.04582	1.3
150.97072	1.5
151.08797	0.2
152.03590	0.3
153.36458	0.2
153.84608	0.2
154.95830	0.2
162.03258	0.3
163.07684	0.4
164.98628	0.6
179.10799	0.5
180.98145	1.0
183.10280	0.9
187.02628	0.3
191.02029	0.5
191.53331	0.2
196.99483	0.2
197.11786	0.8
198.99197	0.6
222.99132	0.2
223.09970	0.2
241.00247	4.2
241.10892	1.2
242.00421	0.2
313.16602	0.3
327.09680	0.3
328.10233	0.3
329.10358	0.6
331.17795	0.4
342.11627	0.3
373.11740	100.0
374.12064	9.7
374.16742	0.5
392.81427	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56274	0.2
55.01872	0.3
58.00592	0.2
59.01377	2.3
67.35488	0.2
68.92112	0.2
69.65537	1.9
71.01385	1.8
71.75340	0.2
72.99302	0.3
73.02962	0.5
74.28806	0.2
79.95746	2.6
80.96525	1.8
83.01394	0.5
85.02947	2.0
87.00882	0.3
89.02452	0.4
95.95237	0.4
96.96020	74.6
97.95940	0.3
98.20203	1.0
101.02468	1.3
108.97902	0.9
113.02467	0.9
122.97604	1.0
123.92468	0.2
138.97107	2.0
150.97075	1.3
153.01962	0.4
161.04593	0.3
164.98621	0.5
175.04074	0.2
180.98146	1.0
181.08690	0.4
197.32687	0.3
198.99185	1.0
199.09859	0.3
209.02919	0.3
211.03679	0.3
211.06232	0.3
241.00244	3.5
373.11734	100.0
374.05130	0.5
374.12057	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	373.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.7
57.03449	12.0
59.01376	6.6
68.99824	0.7
71.01390	4.9
71.71365	0.5
72.99306	1.7
73.02953	1.3
75.00882	1.9
83.01392	2.4
84.02177	2.7
85.02959	100.0
86.03308	2.5
87.00883	2.0
87.03359	0.5
89.02454	7.6
96.96021	6.3
98.35696	0.5
99.00925	0.5
101.02458	1.4
103.00391	1.2
103.04034	0.7
107.47211	0.5
111.00906	2.7
115.00412	0.9
119.05009	0.6
120.94463	0.5
121.02962	8.6
129.01964	8.0
131.03511	1.3
133.01453	0.7
147.03018	15.7
149.04575	27.8
150.04907	1.3
163.02498	0.6
164.28983	0.5
173.00951	1.4
174.46864	0.5
181.05084	2.0
181.47414	0.4
191.01988	34.6
192.02377	1.8
193.02443	0.6
209.03018	7.3
210.03442	1.4
211.03494	4.0
241.00241	0.6
241.42285	0.4
349.93835	0.4
355.06509	1.2
373.04376	0.5
373.08035	7.2
374.08536	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.4
57.03437	0.7
59.01377	3.9
60.12791	0.3
61.98825	2.1
69.50843	3.0
71.01378	2.2
72.22793	0.3
72.99310	0.7
73.02942	0.7
75.00882	0.4
79.95746	2.3
80.96515	1.8
83.01395	0.8
84.02161	0.3
85.02961	6.2
85.06605	0.6
87.00877	0.4
89.02484	0.8
93.62681	0.3
95.01393	0.6
95.95240	0.8
96.96021	79.7
98.19872	0.6
98.95608	0.6
99.00864	0.4
101.02463	1.9
108.97874	0.8
110.00114	2.3
111.00903	0.7
113.02462	1.2
116.41301	0.3
122.97554	1.1
125.02457	1.8
129.01942	0.6
131.07140	1.7
137.99597	2.5
138.97105	2.7
139.00398	2.3
147.03011	0.5
150.97095	1.0
151.04004	0.5
152.01198	0.7
153.01953	33.6
154.02715	3.3
155.03528	0.4
161.90407	0.3
164.98682	0.5
167.03513	1.9
168.04300	13.9
169.05075	7.9
170.05444	0.3
175.54214	0.3
177.04068	0.3
180.98166	1.4
191.01990	1.1
193.02446	0.6
193.05040	0.4
198.99194	1.8
209.03036	1.0
210.03363	0.7
211.03520	1.2
241.00235	4.6
253.31673	0.3
259.01248	1.6
313.05994	2.2
373.08121	8.1
373.11829	100.0
374.08368	0.8
374.12161	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.9
56.96781	0.6
57.03448	11.8
57.48048	0.6
59.01375	6.9
65.07326	0.7
66.45393	0.6
68.99799	1.4
69.80164	1.9
69.80580	2.7
71.01382	5.6
72.99315	2.1
73.02951	2.4
75.00878	2.2
83.01402	2.7
84.02161	3.1
85.02959	100.0
86.03296	4.3
87.00896	1.8
87.03386	1.2
87.92525	0.9
89.02457	9.5
89.27824	0.7
96.96025	5.9
99.50098	0.6
101.02475	1.0
103.00387	1.3
103.86470	0.6
103.92057	1.5
108.97906	2.2
111.00890	2.7
115.00328	0.8
119.05076	0.7
121.02977	8.7
121.03771	1.1
129.01979	6.5
140.01982	0.7
147.03011	15.3
149.04568	31.7
150.04997	0.8
153.01938	3.3
153.69141	0.7
154.02608	0.6
161.96199	0.9
168.04271	1.9
169.05042	0.9
173.00948	1.0
181.05054	2.3
191.01993	34.8
192.02295	2.5
193.02464	1.3
198.99188	0.8
209.01225	1.2
209.03053	10.7
210.03377	3.6
211.03482	9.0
259.01270	0.6
373.07782	4.4
373.11862	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.1
55.31946	1.0
56.41278	0.9
57.03450	14.0
59.01372	8.4
61.98837	0.9
71.01386	6.7
71.70854	1.1
72.99309	1.2
73.02950	3.4
75.00883	1.3
79.91319	0.9
83.01410	2.3
84.02171	2.5
85.02959	100.0
86.03311	4.1
87.00883	2.9
87.03351	1.1
89.02449	25.6
96.96025	6.2
101.02411	1.2
103.00401	1.2
103.04007	1.9
103.08531	0.9
111.00881	2.5
115.00345	1.0
121.02959	9.5
129.01970	7.0
131.03520	7.1
131.49294	0.9
147.03014	14.8
149.04576	78.4
150.04872	2.6
153.01962	2.1
173.00853	1.2
181.05109	1.9
191.01991	37.5
192.02350	2.8
199.42577	1.0
209.03038	9.1
210.03334	3.3
211.03552	6.0
212.99652	1.0
251.31424	0.9
322.27414	1.0
373.07764	3.1
373.12000	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	372.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.2
61.98829	100.0
65.43112	0.5
71.41783	0.9
85.02977	1.7
100.20908	0.5
125.59752	0.5
133.43109	0.5
209.03017	1.5
210.03391	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.0
61.98831	100.0
71.28262	1.0
85.02934	0.6
130.05806	0.5
132.07672	0.5
145.32587	0.5
200.32216	0.5
209.03177	0.6
298.98886	0.5
356.03833	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.0
61.98831	100.0
64.36012	0.3
65.83121	0.3
70.59733	1.2
85.02972	1.3
86.03320	0.5
96.96055	0.5
152.32068	0.4
154.14337	0.4
177.58893	0.3
191.02013	0.4
197.99422	0.3
208.36952	0.4
209.03050	1.0
210.03416	0.6
236.26360	0.3
309.20813	1.1
394.32010	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.6
57.03447	14.0
58.03787	0.4
59.01371	7.5
61.98832	5.9
68.99832	0.5
69.99758	1.3
70.00183	0.9
71.01386	4.6
72.99315	2.1
73.02953	0.7
75.00870	2.0
75.40576	0.3
83.01388	2.9
84.02150	2.8
85.02959	100.0
86.03275	2.2
87.00885	1.3
89.02453	1.3
96.96015	5.8
99.00896	0.4
101.02477	0.9
103.00390	1.6
111.00899	3.5
115.00385	0.8
119.05045	0.9
121.02973	8.4
124.19530	0.4
129.01952	8.1
130.02272	0.4
130.08879	0.4
133.01468	0.7
139.85736	0.4
143.28078	0.4
147.03012	17.3
148.03357	0.8
149.04578	2.6
153.01964	1.1
168.04456	0.4
173.00923	2.1
181.05157	2.5
189.05573	1.1
191.01988	39.1
192.02336	1.9
209.03009	6.9
210.03392	0.6
211.03502	1.1
241.00189	0.5
245.05959	0.4
269.80258	0.3
355.06644	0.5
373.07932	7.4
373.12006	1.8
374.07825	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.3
57.03449	1.3
59.01093	0.3
59.01379	3.8
61.98832	0.6
69.03493	0.2
70.60488	0.8
71.01389	2.6
72.99305	0.7
73.02945	1.5
75.00891	0.2
76.46369	0.2
78.95916	0.5
79.95740	3.4
80.96522	2.5
83.01399	0.8
84.02190	0.2
85.02959	7.5
87.00887	0.7
89.02458	0.8
95.95256	0.5
96.96023	98.8
96.99315	0.5
97.02961	0.2
97.75793	0.2
97.95968	0.4
99.00911	0.6
101.02456	1.6
111.00919	0.3
113.02462	0.6
122.97585	1.0
125.02449	0.2
129.01955	0.6
131.03535	0.6
138.97084	5.2
143.03465	0.3
147.02983	0.5
150.97104	1.5
164.98651	0.7
168.98148	0.4
173.00940	0.2
179.10738	0.2
180.98152	0.7
191.01985	1.9
198.99144	0.5
209.01282	0.3
209.03032	6.8
210.03369	0.5
222.99191	0.7
241.00230	6.6
242.00381	0.3
258.21307	0.2
275.17047	0.2
306.14178	4.7
327.25433	0.6
332.65579	0.2
370.63037	0.2
371.13818	100.0
372.14154	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	372.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40658	1.2
57.03450	8.7
59.01389	8.0
61.98832	5.2
62.76495	1.4
66.03486	3.8
70.07114	1.1
70.62608	4.1
71.01381	4.2
72.99319	2.5
75.00874	2.2
82.02979	7.8
83.01409	2.0
85.02956	56.3
86.03290	3.2
87.00891	2.0
89.02447	4.2
89.51883	1.3
96.96026	13.7
98.20089	1.4
99.00861	1.4
110.02492	42.1
111.00852	2.2
111.02025	21.3
111.02802	2.6
112.98787	1.8
119.82916	1.4
120.20613	1.2
121.02966	3.8
122.02477	3.5
127.12421	3.7
128.03555	13.8
128.07190	64.8
129.01973	4.6
136.77589	1.5
140.03557	4.1
142.99887	11.8
147.03033	7.4
149.04576	5.4
152.03531	7.2
153.01959	1.5
153.03047	3.0
166.08754	3.1
173.00937	3.4
191.01968	18.4
192.02322	2.5
197.22533	1.1
199.10889	16.4
200.05669	16.7
209.03029	10.0
210.03400	5.8
210.07677	5.7
241.00249	3.0
243.06207	100.0
244.06554	6.1
267.35342	1.4
297.33069	1.3
324.41461	1.5
373.04388	2.0
373.08035	12.4
373.12161	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	371.1354
Annotation	Macrosphelide J
Peak:m/z	Relative Intensity
52.13498	0.4
55.01878	2.4
57.03448	12.2
58.00614	0.5
58.03778	0.5
59.01378	13.8
61.98825	1.5
62.07224	0.4
68.99815	1.1
69.03453	0.6
69.40825	5.0
70.22709	0.4
71.01387	7.3
71.69584	0.6
72.99312	2.9
73.02956	2.3
75.00868	2.0
78.95917	1.1
79.95743	3.8
80.96523	2.0
83.01403	4.1
84.02164	2.9
85.02956	100.0
86.03271	2.3
87.00871	2.7
89.02451	1.5
95.95240	1.2
96.96019	75.8
96.99304	0.7
97.95957	0.5
99.00903	1.3
101.02457	2.6
103.00390	1.4
111.00884	4.3
113.02457	1.0
115.00391	1.2
117.50780	0.5
120.99657	0.5
122.97616	0.5
129.01959	11.5
131.03554	1.6
133.01442	1.2
135.04634	0.5
138.97102	4.2
147.03009	14.6
148.03221	0.5
150.97098	0.9
173.00916	1.7
179.10770	1.7
180.98135	0.8
191.01987	30.2
192.02316	1.0
198.99115	0.6
209.03038	22.7
210.03407	0.9
214.23215	0.4
222.99208	0.6
241.00185	4.6
290.24261	0.5
306.14175	9.1
319.95569	0.5
327.25516	0.7
370.62817	0.7
371.13800	71.4
372.14020	7.4
372.24741	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51217	0.2
53.18940	0.2
53.27567	0.2
55.01871	0.5
57.03442	0.4
59.01380	2.5
62.62772	0.2
71.01377	1.7
71.19598	0.3
71.19937	0.5
71.41182	0.2
72.99312	0.5
73.02955	0.7
78.01164	0.2
79.95730	2.2
80.96528	2.0
83.01382	0.5
85.02962	2.7
87.00892	0.3
89.02486	0.2
92.69841	0.2
95.95267	0.4
96.96021	79.1
97.95959	0.3
99.00904	0.3
101.02459	1.7
106.25392	0.2
113.02452	0.4
122.97575	1.1
132.20236	0.2
138.97079	1.6
150.97104	1.2
164.98624	0.6
168.98111	0.2
169.40665	0.2
180.98157	1.0
191.01962	0.6
198.99246	0.4
209.03026	1.8
241.00252	3.3
295.46002	0.2
296.90909	0.2
342.61829	0.2
369.12244	0.2
371.13815	100.0
372.14157	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	371.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03035	0.2
55.01873	0.3
57.03450	0.8
59.01375	4.0
61.98836	0.6
63.84667	0.2
66.18223	0.3
71.01377	2.4
71.42817	0.6
72.99315	0.4
73.02943	1.6
79.95742	2.7
80.96518	1.8
83.01426	0.3
85.02961	4.8
87.00842	0.4
89.02456	0.5
95.01435	0.4
95.95251	0.7
96.96019	76.0
97.95926	0.3
99.00928	0.4
101.02457	1.1
110.51588	0.3
111.35088	0.3
122.97588	0.9
129.01962	0.7
131.03525	0.8
138.97118	1.7
138.98000	0.3
142.82933	0.3
147.02972	0.3
150.97092	1.1
157.11171	0.3
164.98709	0.4
180.98158	0.7
191.01945	1.5
198.99135	0.4
209.03047	5.8
227.12564	0.3
241.00227	3.1
259.32922	0.2
306.14093	5.4
327.65283	0.3
354.67245	0.3
371.13809	100.0
372.14136	11.6
373.04102	0.3
390.70590	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.2
57.03444	4.5
58.00589	1.3
59.01377	21.2
67.01897	1.6
68.99818	3.0
69.03442	2.0
71.01385	18.6
71.18857	2.0
72.99310	6.1
73.02957	2.6
75.00877	17.8
81.03457	1.2
83.01392	2.0
85.02956	31.3
86.03312	0.9
87.00879	7.9
87.38139	0.6
89.02451	5.1
90.93546	0.6
93.03450	1.6
95.01395	5.6
96.96011	6.1
99.00883	11.2
103.00388	2.1
111.00889	1.9
113.02464	25.1
115.00399	2.3
117.01954	3.9
120.99644	1.7
121.02966	100.0
122.03310	3.7
125.71663	0.7
129.01939	3.8
130.99847	0.7
147.02951	0.8
157.01443	1.4
164.04642	0.7
175.02576	3.0
189.04086	1.3
191.01976	2.9
192.02481	0.6
209.01215	1.2
209.03000	7.2
223.06091	1.3
225.05119	0.9
231.05092	6.6
239.09380	0.9
249.06140	70.4
250.06583	3.4
291.12604	5.6
309.09033	0.8
311.07913	0.9
327.09818	1.5
353.08722	1.1
371.09811	67.7
372.10196	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	371.0985
Annotation	Cycloshermilamine D
Peak:m/z	Relative Intensity
55.01870	1.5
56.45054	0.6
57.03461	3.6
58.26765	0.7
59.01377	21.3
64.90016	0.6
65.31811	0.7
67.01893	1.5
68.99822	2.4
69.03458	2.2
71.01386	20.7
71.29753	1.3
71.30090	1.3
72.99314	5.9
73.02956	2.7
75.00878	21.1
83.01382	2.5
84.02169	0.8
85.02957	29.5
86.03316	1.1
87.00873	7.4
87.03366	0.7
89.02464	3.5
93.03466	1.8
95.01402	6.0
96.96027	8.5
97.02952	0.6
99.00893	11.7
103.00386	2.6
109.02914	0.8
111.00872	1.0
111.04544	0.8
113.02461	25.2
114.02786	0.9
115.00400	1.5
117.01957	4.2
119.05077	1.0
121.02969	100.0
121.43386	0.8
122.03288	3.4
129.01959	4.0
131.03548	1.1
157.01407	0.7
175.02512	2.8
189.03992	0.9
191.01978	3.0
209.01224	1.7
209.03033	7.3
225.05020	0.8
231.05106	6.6
239.09210	0.8
249.06139	76.3
250.06473	4.4
261.02563	0.7
291.12698	5.5
311.07574	0.8
321.40839	0.7
327.09705	1.5
353.08957	1.9
371.09824	70.8
372.10092	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	371.0986
Annotation	Cycloshermilamine D
Peak:m/z	Relative Intensity
52.15744	0.6
55.01874	1.6
57.03446	7.3
57.05666	0.6
58.00584	1.6
58.14612	0.5
59.01379	23.2
61.98816	1.5
64.82117	0.7
67.01874	1.0
68.99817	1.3
69.03463	1.4
71.01383	20.6
72.99313	7.5
73.02950	4.1
74.02486	0.6
74.08154	0.6
75.00881	16.7
76.01183	0.8
79.95740	1.9
80.96546	1.0
81.80960	0.7
83.01395	4.8
84.02177	1.4
85.02959	56.1
86.03270	3.4
87.00887	8.7
87.03398	0.9
87.05648	1.1
89.02447	7.1
93.03459	0.9
95.01398	4.9
96.95374	1.6
96.96016	33.2
97.02961	0.6
99.00887	11.5
101.02463	3.9
103.00377	4.5
108.02211	0.7
109.02972	1.1
111.00892	3.4
111.04505	0.7
113.02463	27.9
113.03259	1.5
114.02787	1.2
115.00349	2.0
117.01944	2.7
119.05020	2.3
120.01273	1.6
120.99670	7.3
121.02972	83.8
122.03308	3.4
129.01945	5.2
129.06653	0.7
130.02191	0.7
130.43553	0.6
131.03505	2.1
133.01424	2.2
133.02980	0.8
133.04027	0.8
134.03749	2.1
135.04510	1.4
136.04178	0.6
136.05286	3.1
137.02429	1.1
137.06099	0.7
143.03461	0.8
143.11935	0.7
145.01434	0.9
147.03021	2.3
149.02431	1.4
149.06082	1.0
150.03183	0.7
152.01181	1.2
157.01378	1.1
158.57071	0.6
160.04028	1.9
161.04497	0.9
163.04008	2.3
164.04842	4.9
164.08418	0.8
164.98759	0.8
165.05658	1.3
167.03503	2.8
173.00928	0.7
175.02538	3.8
179.03479	0.9
180.98256	0.7
187.02708	1.4
191.01988	10.5
193.03513	1.8
193.05080	2.0
205.03494	0.7
207.04149	0.8
209.01236	4.0
209.03015	32.7
210.03340	1.3
223.04465	1.0
223.06349	1.1
223.09760	1.4
224.04980	1.2
225.04955	3.3
231.05104	2.8
239.09175	0.7
241.00212	3.2
246.09322	0.9
249.06146	21.0
250.06544	1.4
291.12863	0.8
309.08682	1.0
311.07751	0.8
327.09885	2.9
353.08804	1.8
370.97995	4.1
371.09900	100.0
371.19391	2.1
372.10257	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	371.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.5
57.03450	9.7
59.01377	8.3
68.99796	1.0
70.19805	2.2
71.01387	9.3
72.99312	2.4
73.02965	0.8
75.00877	1.8
83.01391	1.7
84.02170	1.9
85.02958	72.9
86.03297	2.0
87.00891	2.5
89.02456	4.5
94.91995	0.5
96.96021	2.3
98.20602	0.5
99.00867	0.5
100.13667	0.5
101.02471	0.8
103.00380	1.8
111.00877	3.3
115.00408	1.0
129.01978	5.9
133.01434	6.1
135.04530	4.5
136.01729	0.5
143.60754	0.5
147.02997	5.1
162.23430	0.4
173.00934	1.2
179.03497	1.7
191.01985	19.3
192.02347	0.9
209.03029	100.0
210.03386	3.4
345.78949	0.5
369.78369	0.7
371.06311	1.9
371.10388	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	371.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.3
56.88499	0.5
57.03449	8.7
59.01380	6.0
68.99797	1.4
71.01388	8.6
71.17413	1.4
72.99308	2.0
75.00880	1.2
83.01386	1.3
84.02175	1.5
85.02955	68.6
86.03309	1.8
87.00886	1.9
89.02451	3.2
95.94482	0.5
99.00870	0.6
101.02431	1.3
103.00365	1.6
108.12946	0.4
111.00887	3.8
115.00368	1.2
129.01956	6.1
133.01453	3.9
135.04546	3.3
135.31198	0.5
147.03000	4.8
161.02449	0.5
173.00964	1.6
179.03534	1.7
191.01984	25.6
192.02313	1.4
209.03026	100.0
210.03377	4.2
264.36908	0.6
371.06134	0.6
371.10193	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.3011
Annotation	Docosanedioate
Peak:m/z	Relative Intensity
50.02443	0.2
57.03450	1.1
59.01367	0.3
61.98829	0.4
71.05013	0.2
73.02953	0.3
80.02713	0.2
83.01404	0.2
84.04500	0.2
85.02957	1.4
99.00912	0.2
111.00946	0.3
117.34367	0.2
124.66826	0.2
129.01953	0.4
131.03529	0.2
159.56146	0.2
193.64696	0.2
205.03403	0.3
223.04610	0.9
279.27097	0.5
305.28540	0.7
307.30054	66.1
307.83987	0.2
308.30402	8.9
325.31039	1.9
351.29034	18.6
352.29343	2.5
369.30090	100.0
370.30444	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	370.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31479	0.6
57.03443	1.9
59.01379	3.6
61.98830	100.0
65.24002	0.5
71.01394	1.6
71.73056	0.7
72.99317	0.6
73.02950	0.5
75.00856	0.6
85.02958	13.3
89.02428	0.9
90.39478	0.5
96.96040	0.6
111.00902	0.9
121.03006	0.5
129.01962	1.2
133.01489	0.9
135.04546	1.1
147.03067	0.7
166.29897	0.6
169.43549	0.6
180.26723	0.5
191.01987	4.0
209.01378	0.6
209.03033	18.3
307.19287	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	370.187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	4.2
59.01379	9.9
61.98830	100.0
63.84752	1.0
71.01389	4.0
75.00880	1.4
85.02958	27.0
96.96018	1.8
98.77773	1.2
111.00894	1.7
121.02983	3.7
129.01958	3.3
133.01469	1.8
135.04550	2.0
147.03006	2.7
191.01994	10.3
208.82211	1.3
209.01408	1.5
209.03036	39.0
223.04672	1.8
225.17403	1.4
319.18805	1.3
369.64374	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	371.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.3
56.99817	0.5
57.03185	0.5
57.03450	8.7
59.01086	0.6
59.01377	7.7
68.99815	0.8
70.00416	1.7
70.00810	0.6
71.01384	11.0
72.99311	2.5
75.00884	2.8
83.01376	1.9
84.02166	1.9
85.02960	71.9
86.03282	1.7
87.00881	2.4
89.02455	5.1
96.96038	1.7
101.02452	0.8
103.00391	2.0
111.00895	3.2
112.19884	0.3
115.00366	1.0
129.01958	4.7
133.01447	4.5
134.03799	0.6
135.04539	4.1
147.03015	4.7
149.04596	0.9
157.89845	0.3
173.00917	2.1
179.03505	1.0
179.05600	0.8
191.01993	25.0
192.02405	1.0
209.03038	100.0
210.03372	4.8
235.06122	0.5
306.30713	0.3
371.06299	1.5
371.10239	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38663	0.2
52.87921	0.2
55.01882	0.4
59.01384	2.2
59.24457	0.2
69.03421	0.2
70.91348	0.2
71.01384	1.7
72.99315	0.4
73.02953	0.6
79.95733	3.0
80.96526	2.0
83.01387	0.5
85.02965	1.6
95.95243	1.2
96.96020	86.5
97.95936	0.3
99.00940	0.2
101.02452	1.7
113.02473	0.6
122.97585	1.2
138.97089	2.2
150.97087	1.4
152.98555	0.2
164.98686	0.4
168.98131	0.2
180.98122	0.8
193.01740	0.3
198.99184	0.8
223.04521	0.3
241.00229	3.1
242.00557	0.2
260.86014	0.2
369.12231	100.0
370.12543	9.7
380.12503	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	5.6
57.03180	1.0
57.03448	20.2
59.01384	3.8
61.45039	0.5
63.39998	0.5
67.01932	0.8
68.99811	0.9
71.01381	6.4
71.29074	1.1
72.99310	4.2
73.02961	2.0
75.00873	2.5
81.03457	3.3
83.01392	7.8
84.02200	1.4
85.02958	100.0
86.03291	2.4
87.00874	1.7
99.00896	2.9
101.02468	5.0
105.03481	1.6
111.00896	22.4
113.02464	0.7
119.05044	8.0
123.04546	1.1
125.02470	6.5
126.93672	0.6
129.01956	33.8
130.02299	1.2
131.03516	1.7
133.03009	4.8
143.03513	1.1
145.02972	1.2
147.02989	5.2
150.03175	0.6
156.55086	0.6
161.04559	2.0
163.04001	5.3
164.04404	0.6
173.01004	0.7
177.01939	1.5
179.05684	0.6
187.02522	1.6
191.02003	6.6
205.03546	26.5
206.03871	1.3
223.04588	47.2
224.04953	1.7
269.27249	0.6
312.17169	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.3
57.03448	14.0
58.03769	0.8
59.01368	4.8
60.84459	0.5
67.01871	1.1
69.80209	4.0
71.01379	6.5
72.99321	1.7
73.02947	1.3
75.00871	2.0
83.01392	7.4
84.02165	1.7
85.02959	79.9
86.03305	2.7
87.00890	1.9
96.96037	1.0
99.00874	0.6
101.02457	5.7
103.00401	1.1
103.04050	0.9
111.00896	30.6
112.87688	0.6
119.04234	0.9
119.05032	7.6
129.01962	25.2
131.03539	4.1
133.02962	1.1
145.02995	0.9
147.03006	4.1
161.04546	2.5
163.04019	6.8
175.02486	1.2
187.02531	1.6
191.02003	2.4
193.03554	1.6
205.03542	31.3
206.03853	1.4
223.04588	100.0
224.04938	5.4
369.08401	1.5
389.21008	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.2
57.03443	1.3
59.01379	2.4
59.47449	0.6
69.03457	100.0
70.03777	2.1
71.01376	1.6
72.99308	2.4
73.02895	0.7
79.01900	1.4
83.01395	0.7
85.02957	5.3
85.66237	0.7
89.87086	0.6
95.01402	2.2
96.96014	6.4
97.02961	18.9
97.03575	1.2
99.00887	24.0
111.00914	1.4
113.02412	0.7
123.00917	0.7
129.01950	1.3
141.01962	10.9
142.48723	0.6
147.03088	1.0
162.02289	0.6
183.10265	0.8
185.00929	56.6
186.01283	2.6
189.06146	0.7
191.02007	1.2
223.02745	1.0
223.04698	1.5
241.00377	0.6
259.04187	0.7
276.47241	0.6
369.11984	18.6
370.12198	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	369.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.6
59.01384	1.0
67.01920	0.7
69.03458	100.0
69.77973	4.9
70.03792	2.2
71.01381	1.3
72.99316	1.3
79.01913	2.1
85.02947	3.5
89.29929	0.6
95.01389	3.0
96.55197	0.6
96.96024	4.3
97.02967	18.2
99.00892	25.8
141.00893	1.0
141.01959	11.7
164.89226	0.7
183.10284	0.9
185.00923	64.9
186.01300	2.7
190.35294	0.7
217.30019	0.7
308.20047	0.8
308.99121	0.7
347.42639	0.8
369.11905	21.9
370.12390	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	369.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	4.1
57.03446	19.0
59.01373	2.0
67.01886	0.8
69.78197	5.1
71.01383	6.3
72.99317	4.5
73.02960	2.1
75.00875	2.1
81.03473	2.9
83.01394	8.9
84.02192	3.2
85.02959	100.0
86.03306	3.2
87.00878	0.9
95.90344	0.8
99.00906	3.4
99.02303	0.6
101.02451	5.6
103.04057	0.6
105.03478	0.8
111.00896	25.6
112.01241	0.9
119.05047	10.0
120.05350	0.8
125.02441	7.1
129.01964	42.5
130.02296	2.0
131.03519	3.0
133.02954	0.9
143.03537	1.9
145.02963	1.1
147.03017	4.3
159.02908	0.8
161.04578	2.8
163.04016	12.1
164.04311	0.8
173.00893	0.9
175.02440	0.7
181.54532	0.8
187.02432	1.8
191.02007	3.2
193.03517	1.0
205.03535	36.2
206.03949	1.7
209.20667	0.7
216.07162	0.7
218.07002	0.7
223.04593	53.1
224.05019	1.9
369.08337	1.8
370.08936	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00302	0.8
52.38362	0.8
55.01877	4.6
57.03445	11.0
59.01372	5.6
68.99805	1.2
69.86106	4.2
69.86524	1.3
71.01391	7.7
72.99307	2.4
73.02940	0.8
75.00864	2.4
83.01398	11.9
84.02159	2.9
85.02958	77.3
86.03275	2.1
87.00878	1.5
96.96003	1.0
99.00869	2.0
101.02460	4.4
103.00341	1.1
103.31306	1.1
111.00896	26.7
116.19633	0.8
119.04244	1.3
119.05038	14.8
129.01080	1.5
129.01961	23.4
131.03505	6.2
141.70450	0.8
143.03506	5.8
145.02994	1.0
147.02971	3.6
161.04518	1.6
163.04008	19.9
164.04343	1.4
167.34953	0.8
173.00919	3.7
175.02448	1.8
187.02455	1.8
191.01976	12.0
193.03571	1.5
205.03529	23.0
223.04588	100.0
224.04874	3.6
232.87044	0.9
243.39450	0.8
316.33646	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.14
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05056	0.2
59.01374	2.9
71.01404	0.4
71.49803	0.3
71.50139	0.3
72.16524	0.2
74.02496	0.2
79.95761	0.3
85.02972	0.6
86.01791	0.2
95.95261	0.2
96.96011	1.6
98.20074	0.2
99.00878	0.2
105.03466	0.2
106.74086	0.2
108.52193	0.2
110.93838	0.2
113.82246	0.2
117.43181	0.2
119.05079	0.2
121.02973	0.7
122.03769	0.2
123.63962	0.2
147.04561	1.7
148.05324	100.0
149.05650	4.7
163.07666	73.6
164.07994	4.5
199.13364	0.5
211.79877	0.2
260.67984	0.2
368.11511	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.9
61.98830	100.0
70.96158	2.3
71.01387	0.8
72.46295	0.8
73.02937	0.9
74.86502	0.9
85.02956	1.8
96.96024	2.5
119.09802	0.7
138.04315	0.9
184.43288	0.8
309.20612	1.7
332.57074	0.9
367.16431	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	369.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29782	0.5
55.01874	0.9
56.07229	0.5
57.03446	1.9
58.99602	8.0
59.01382	5.6
61.98827	0.7
68.83599	0.5
69.03450	1.7
71.01386	6.6
71.73000	0.9
72.99315	1.2
73.02969	1.9
74.99096	1.0
75.00877	0.6
79.95746	1.9
80.96535	1.7
83.01402	1.2
85.02962	9.6
86.99102	1.1
87.00879	1.0
87.39604	0.5
89.02464	0.5
94.02935	0.6
95.95257	1.2
96.96020	57.0
97.02967	0.6
99.00857	1.3
101.02444	1.5
102.98607	27.8
105.00169	19.9
108.02200	0.6
111.00906	1.3
113.02477	1.5
117.03411	0.7
119.05051	1.3
120.99669	100.0
122.00099	0.8
122.97609	0.7
123.04627	0.6
129.01945	2.0
131.03561	1.0
133.03055	0.7
134.03763	10.3
135.04541	0.7
137.02444	0.9
138.97073	1.5
139.76370	0.5
147.02995	0.6
149.06128	1.7
152.98640	0.7
157.72057	0.7
160.01659	3.7
175.00699	2.0
175.04054	5.0
178.02699	2.2
179.03320	0.6
188.31677	0.6
191.01956	1.7
191.07164	1.5
193.01768	87.0
193.04922	10.4
194.02101	3.7
194.05511	0.9
198.99251	0.6
199.09671	0.8
205.03586	1.2
212.77026	0.5
219.06660	0.6
223.04608	3.7
241.00233	2.5
325.09653	1.0
369.12250	62.4
370.12585	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03476	0.6
55.01875	2.1
57.03183	1.1
57.03450	13.2
59.01385	4.6
60.42505	0.6
71.01392	2.0
71.19176	1.1
72.99322	0.8
83.01388	2.3
84.02165	2.5
85.02959	100.0
86.03297	1.7
88.36713	0.6
96.95999	1.4
103.00346	1.0
111.00900	2.2
117.03474	1.6
129.01952	13.6
132.02191	2.9
134.03760	25.4
135.04059	1.5
147.03017	25.6
149.06073	2.3
160.01672	15.7
161.02191	1.1
163.04021	0.9
173.00931	3.2
175.04013	19.6
176.04384	0.8
178.02672	0.8
191.01988	39.7
192.02303	1.9
193.05077	16.3
194.05357	0.8
260.29922	0.6
323.07758	6.0
367.06656	0.8
367.10895	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75775	0.5
50.82571	0.6
53.95618	0.5
55.01880	1.9
57.03450	15.8
57.37764	0.5
58.58120	0.6
59.01365	2.2
63.41642	0.5
70.27518	2.0
71.01400	2.7
72.99297	1.6
74.70954	0.7
83.01393	2.0
84.02175	1.5
85.02956	100.0
85.82253	0.6
86.03286	2.7
89.04008	0.7
96.96032	1.1
97.19199	0.6
111.00939	2.6
117.03484	1.4
124.13561	0.5
129.01955	23.1
130.02243	0.7
132.02158	1.3
134.03751	12.5
135.04108	1.1
139.21674	0.5
141.15321	0.6
146.60254	0.6
147.03020	20.9
149.06129	1.3
160.01669	6.6
161.02220	0.7
173.00900	4.6
175.04005	8.9
191.01988	2.3
193.05055	9.2
277.92914	0.5
323.07681	5.8
367.06546	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05804	0.1
55.01879	0.3
57.03453	1.6
59.01377	3.7
71.01384	0.6
71.72948	0.2
72.99312	0.7
73.02954	0.2
75.00902	0.2
79.95741	1.2
83.01385	1.3
84.02150	0.3
84.39303	0.2
85.02956	7.6
87.00867	0.2
95.71877	0.2
96.96019	100.0
97.95948	0.4
99.00909	0.2
101.02450	0.4
111.00896	0.7
113.02488	0.2
117.03468	0.6
125.02427	0.2
129.01953	4.1
129.05553	0.3
130.02304	0.2
134.03748	6.9
135.04131	0.2
137.02434	0.4
147.03030	1.2
149.06096	1.3
151.66257	0.2
154.99847	1.0
160.01707	1.4
161.02359	0.5
173.00938	3.3
174.01129	0.3
175.04012	2.5
176.04402	0.2
178.02708	0.6
191.01971	1.3
191.05634	0.5
193.05067	6.4
194.05389	0.4
209.59264	0.2
215.07155	0.3
217.08757	0.2
218.05846	0.4
227.12891	0.6
233.08228	1.0
241.00255	0.3
261.07657	1.7
278.16620	0.2
287.14957	1.7
288.15250	0.2
349.05716	0.3
360.84006	0.2
367.10654	20.6
368.10843	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	367.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.8
57.03447	11.7
59.01368	2.6
62.28716	0.6
62.44784	0.6
68.28725	0.6
69.71394	2.6
69.71815	2.1
71.01377	4.5
72.99319	3.8
75.00849	0.9
83.01384	2.0
84.02180	2.4
85.02957	100.0
86.03303	2.2
96.96011	0.7
103.00350	1.0
111.00902	1.8
117.03492	1.2
119.49169	0.5
121.53007	0.5
129.01965	13.8
132.02245	1.2
134.03754	11.6
135.04146	0.6
147.03017	43.4
148.03348	1.6
149.06108	1.7
160.01675	11.5
161.02277	0.6
173.00932	2.2
175.04021	18.8
176.04330	1.1
178.02898	0.9
191.02011	2.2
193.05058	9.8
261.07645	1.4
323.07703	12.6
324.07883	0.9
334.25424	0.6
349.43506	0.6
352.78516	0.6
367.06686	1.5
367.13925	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39431	0.5
55.01877	2.4
56.83461	0.5
57.03452	13.1
59.01380	3.3
60.32010	0.5
68.99826	0.8
70.48934	1.6
71.01386	2.1
72.99339	1.0
83.01398	2.3
84.02162	2.6
85.02961	100.0
86.03291	2.6
89.03986	0.8
96.96021	1.7
103.00390	1.1
111.00903	2.3
117.03469	2.2
119.05029	0.6
129.01962	14.4
132.02168	2.8
134.03769	27.6
135.04105	1.0
137.02507	0.5
147.03020	23.9
148.03413	0.6
149.06090	2.0
160.00452	1.1
160.01686	17.1
161.02388	1.1
173.00938	3.6
175.04034	20.1
176.04315	1.5
178.02760	1.0
191.01996	39.1
192.02338	1.3
193.05077	18.5
194.05466	1.1
255.07755	0.5
323.07755	7.4
324.07910	0.9
367.06805	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	367.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62754	0.7
52.86982	0.6
55.01886	3.1
55.30441	0.6
57.03447	16.0
59.01376	12.5
61.98827	2.5
68.99823	1.3
69.03470	1.4
69.96293	3.6
69.96712	1.1
71.01385	5.5
72.99310	6.7
73.02958	1.9
75.77979	0.6
79.95759	1.5
80.96524	1.1
82.51339	0.6
83.01393	14.4
83.05033	1.4
84.02190	3.5
85.02958	100.0
86.03292	2.4
88.04054	0.9
89.02444	0.7
89.04012	0.8
93.03470	1.1
95.95247	1.5
96.96021	41.4
97.03009	0.7
98.95600	0.9
99.00898	1.9
101.02486	1.5
103.00394	1.2
103.50227	0.6
108.02195	1.3
109.02962	1.0
111.00887	5.5
111.04517	1.2
113.02467	0.8
115.00426	0.7
116.20711	0.7
116.97681	0.6
117.03484	5.1
123.04485	0.7
125.02458	2.3
129.01956	45.2
129.05574	1.9
130.02319	1.0
131.03482	1.1
132.02185	2.5
133.02933	1.3
134.03757	67.1
135.04442	2.9
137.02411	3.8
145.02968	0.7
147.03014	25.0
148.05267	0.8
149.06091	11.3
150.06470	0.7
150.97064	0.7
154.99881	13.6
158.03741	0.7
160.01683	19.7
161.02480	5.2
161.04536	0.8
162.03191	1.9
163.03995	0.9
172.05270	1.1
173.00928	37.2
173.04604	1.7
173.06064	1.3
174.01299	1.4
174.03169	0.8
175.04021	32.4
176.04419	2.4
178.02753	4.5
189.05560	0.9
191.00226	1.0
191.01985	19.7
191.05643	5.6
191.07188	1.0
193.05070	50.8
194.05415	2.9
200.04776	2.1
202.06271	1.0
205.12344	2.0
207.06502	0.9
215.07092	3.9
217.04895	0.8
218.05814	5.2
231.06630	1.6
233.08209	6.9
234.08539	0.7
241.00249	1.3
243.06531	0.9
246.05338	0.8
256.99783	0.8
259.05890	1.1
261.07663	22.4
262.07962	1.8
275.05328	0.8
287.05508	0.7
307.08267	0.9
323.07941	0.7
349.05792	5.2
367.06693	4.0
367.10657	29.4
368.10657	3.0
368.17108	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	366.1927
Annotation	Isariotin D
Peak:m/z	Relative Intensity
55.01875	1.3
56.65108	1.4
57.03445	2.4
59.01374	13.9
61.98832	78.0
69.03461	2.1
69.43132	1.3
71.01383	34.6
71.05016	2.2
72.04519	2.3
73.02943	1.8
78.95901	3.1
79.95739	2.2
84.09806	1.4
85.02962	5.4
88.04053	13.7
88.86854	1.3
96.96017	15.1
98.06122	19.3
99.04532	1.8
101.02451	1.7
108.08213	3.0
110.06147	3.2
110.92392	1.2
115.00391	25.7
126.09261	5.6
132.03017	3.1
171.10329	1.7
180.13969	3.8
190.98239	1.3
193.04994	2.6
250.18129	3.3
251.16521	21.5
252.16850	1.6
300.13904	2.2
322.20227	14.3
322.23706	2.0
323.20581	1.6
328.22104	2.4
348.18176	1.7
366.19226	100.0
367.19595	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	367.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.7
57.03447	16.3
57.30769	0.6
59.01379	5.6
61.98809	0.7
68.99842	0.7
69.79256	3.8
71.01401	3.7
72.99326	1.1
73.02934	0.9
75.59760	0.6
76.31760	0.5
83.01389	6.5
84.02175	5.2
85.02958	100.0
86.03301	2.2
87.00900	0.8
89.03955	0.9
96.96025	5.2
97.02994	1.0
98.19868	0.6
99.00900	0.7
108.02163	0.8
111.00887	13.1
113.03584	0.6
117.03482	5.7
123.04562	1.3
125.02466	2.8
126.73964	0.6
129.01964	22.5
129.70802	0.6
130.02301	0.8
132.02211	2.0
134.03757	61.4
135.04205	2.8
137.02452	2.5
145.02939	2.9
147.03015	14.4
149.06108	9.6
160.00369	0.4
160.01669	13.0
161.02522	3.1
162.03209	1.9
163.04012	0.9
164.04675	0.6
173.00929	6.9
173.06041	0.9
175.04019	26.2
176.04486	1.4
177.05602	0.8
178.02740	2.3
189.05656	0.9
191.01976	20.2
191.05630	2.5
192.02379	0.6
193.05072	42.3
194.05353	2.4
200.04802	0.9
202.06430	1.6
207.06688	1.1
217.04982	0.7
217.08598	0.8
218.05856	3.9
219.06627	1.1
233.08208	2.5
261.07645	18.7
262.08017	1.7
279.08844	0.7
299.64319	0.5
323.07779	5.7
324.08154	0.8
336.60175	0.7
367.06787	4.4
367.10526	1.4
368.06952	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2698
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
52.16570	0.3
59.01366	0.6
59.08446	0.3
61.30778	0.3
61.98838	0.5
70.92370	0.7
73.12247	0.3
75.40638	0.3
85.06591	2.7
136.95074	0.3
139.78737	0.3
153.12900	0.4
199.13426	2.3
199.66875	0.3
243.61206	0.3
251.20268	0.6
261.18518	1.0
277.21783	0.4
279.19650	17.8
280.20065	1.6
347.25882	6.8
347.30072	0.5
348.26117	0.8
363.25412	0.8
365.26978	100.0
366.27332	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	365.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62170	0.2
55.01862	0.3
57.03474	0.2
59.01361	0.8
61.98836	0.4
62.67812	0.2
66.33850	0.2
68.66031	0.2
71.05025	0.4
71.72843	0.2
83.05017	0.4
87.00901	0.4
96.96026	0.5
98.92561	0.2
105.01926	0.5
119.82522	0.2
134.15262	0.2
142.88266	0.2
153.12923	0.4
155.14401	0.8
163.11266	0.6
165.12863	2.5
170.91910	0.2
181.12314	1.5
183.55463	0.2
199.13405	28.1
200.13702	1.8
209.11838	0.2
277.21747	1.1
279.19620	0.3
347.25879	4.3
363.25269	0.3
365.26971	100.0
366.27295	13.5
366.31955	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.9
57.03447	2.5
59.01379	2.4
61.98827	0.4
69.53600	1.0
69.54017	2.6
71.01386	1.3
72.99317	0.6
73.02944	1.2
74.02471	0.8
79.95736	0.5
83.01399	1.0
84.02184	0.7
84.04567	1.7
85.02955	16.2
85.03462	0.8
87.00913	0.5
89.02443	0.4
89.03998	1.7
89.16367	0.4
96.96021	8.8
98.20632	1.0
98.95605	0.9
99.05302	0.3
101.02437	0.5
111.00864	1.8
116.03554	0.7
117.03473	8.4
125.02398	0.5
128.03548	0.9
129.01953	4.1
133.02989	0.5
134.03757	92.5
135.04068	3.7
137.02483	0.9
145.02983	0.5
146.04604	2.5
147.03001	1.6
149.06090	7.8
150.06377	0.5
160.01707	2.3
161.04541	0.4
173.00923	1.2
175.04039	3.9
178.02705	0.9
191.01991	2.6
191.05592	0.7
193.05064	100.0
194.05420	5.1
198.29625	0.4
209.03030	0.5
218.05898	0.6
219.02800	0.5
233.08171	0.5
251.11842	0.3
261.07703	3.0
270.92401	0.3
271.78040	0.4
280.08310	0.8
323.07791	0.8
366.08005	1.3
367.06592	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72345	0.1
57.03439	0.3
59.01369	0.4
61.07945	0.1
64.79609	0.1
66.55254	0.1
69.86103	0.9
71.01397	0.4
71.05025	0.2
80.16793	0.1
83.34551	0.1
85.02960	2.0
88.04046	0.3
96.96038	0.5
98.19891	0.2
113.02465	0.2
116.05072	3.1
117.05573	0.5
122.02176	0.1
124.04042	0.2
129.01964	0.3
132.04526	0.2
134.03775	0.4
147.03011	0.9
153.51981	0.1
159.03293	0.3
160.04054	100.0
161.04414	5.4
161.05664	0.1
175.03951	0.2
193.05005	0.3
204.03018	4.6
205.03368	0.3
249.06149	0.6
323.07614	0.2
366.08310	22.3
367.08630	1.7
367.12576	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61172	0.2
59.01374	0.6
61.98830	100.0
66.15049	0.2
71.01421	0.3
96.96018	0.6
121.03033	0.2
153.22600	0.2
183.13951	0.6
221.08287	0.5
250.62976	0.2
296.08530	0.2
299.13339	0.4
301.16580	0.5
364.11893	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37177	0.2
59.01384	1.4
61.98829	100.0
62.98529	0.3
63.34988	0.3
69.96336	0.8
69.96747	0.9
71.01386	0.3
71.29048	0.3
79.95723	0.3
85.02962	0.4
95.95277	0.4
95.95919	0.3
96.96038	2.0
98.20403	0.7
106.10126	0.3
126.08900	0.2
131.03494	0.3
135.30725	0.3
183.13965	1.1
213.43071	0.2
218.87601	0.3
299.13382	2.5
301.16504	0.6
319.47263	0.3
363.27032	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12437	0.2
57.03443	0.3
59.01379	100.0
60.01711	1.2
61.98833	3.6
66.65182	0.2
69.03463	0.6
69.58840	0.8
69.59266	1.2
71.01392	1.0
72.99305	0.4
73.02951	0.4
75.00874	0.6
77.70817	0.3
79.95742	1.0
85.02958	1.3
87.00897	0.4
95.95265	1.1
96.96029	6.0
98.20401	0.9
98.95624	0.3
99.00887	0.4
101.02474	0.3
106.45298	0.3
113.02477	0.7
129.01970	0.4
147.04591	0.3
160.04054	0.5
160.26190	0.3
177.04065	0.3
190.81827	0.3
211.37584	0.3
236.00575	0.2
240.08379	2.8
240.58612	0.4
241.00198	0.3
256.99863	0.7
347.67505	0.3
365.11920	1.1
365.16180	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.0
57.03447	12.2
59.01377	9.3
60.94193	0.7
61.98827	3.1
63.39189	0.7
68.99841	1.1
69.03466	0.8
71.01383	11.8
71.64799	1.3
71.65148	0.9
72.99316	1.8
75.00852	1.1
83.01394	1.9
84.02179	2.6
85.02958	100.0
86.03314	2.7
87.00867	1.0
88.93099	0.8
96.96025	8.0
99.00890	0.7
103.00385	2.4
129.01945	7.9
147.03008	8.4
171.13934	2.9
178.32913	0.8
191.01987	34.1
192.02310	1.3
209.03000	0.8
338.53497	0.8
363.16205	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.8
57.03445	11.7
59.01376	8.0
61.98820	2.0
68.99832	1.3
69.03445	1.1
70.57833	0.8
70.58189	2.0
71.01383	3.5
72.99304	2.0
75.00897	1.1
83.01382	3.2
84.02170	2.5
85.02956	100.0
86.03294	2.0
87.00890	1.4
92.93082	0.7
96.96027	4.2
101.02510	0.7
103.00375	1.2
111.00870	4.1
121.73471	0.7
129.01967	9.6
140.73721	0.7
147.03003	10.6
152.12589	0.8
171.13916	3.1
173.00897	2.3
191.01987	37.6
192.02342	1.2
209.03075	1.6
351.36530	0.7
363.16425	2.9
363.20572	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	364.031
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97988	0.8
59.01378	5.1
61.98830	96.0
63.02400	3.0
63.37948	0.8
65.00320	5.7
69.84833	3.3
69.85243	2.2
71.01386	3.3
78.95921	2.2
79.95746	2.1
83.01403	3.9
85.02970	1.0
85.18468	0.8
88.04057	7.1
95.95247	2.6
96.96026	19.0
96.99310	1.7
107.01408	11.0
109.02977	1.4
114.02048	0.8
114.56703	0.9
115.00362	1.8
119.10003	0.8
121.02969	11.1
132.03093	0.9
138.97069	1.8
149.02444	0.9
150.96996	0.9
151.00383	38.2
152.00677	2.2
161.02551	1.3
161.06079	2.1
169.01422	3.4
178.99892	15.6
193.01454	1.3
198.99237	2.8
228.72310	1.0
229.05052	1.1
241.00243	1.5
257.04749	1.0
259.01434	1.6
273.04156	2.2
299.01865	1.1
301.03534	100.0
302.03824	8.1
306.14035	1.3
306.64096	1.2
341.65948	5.9
342.16211	1.5
363.65509	15.1
364.15289	5.2
364.64948	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0757
Annotation	Sulfometuron methyl
Peak:m/z	Relative Intensity
56.82645	0.3
57.03426	0.3
59.01095	0.3
59.01379	3.5
61.90410	0.3
69.43771	1.2
69.44191	1.5
71.01375	3.0
73.02943	0.6
79.95747	3.3
80.96526	2.5
83.01379	0.5
85.02958	1.5
89.02450	1.1
95.95248	1.0
96.96020	86.8
98.19897	0.4
101.02473	2.0
113.02469	0.7
118.03716	0.2
122.97581	1.6
138.97064	1.2
145.69482	0.2
147.58391	0.2
150.97093	1.7
164.98618	0.8
167.44208	0.3
171.56189	0.3
180.98120	1.2
184.36012	0.4
189.57246	0.3
198.99048	0.3
208.24947	0.3
241.00211	3.2
242.00664	0.3
349.59113	0.2
363.07538	100.0
364.07867	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	363.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57349	0.3
51.73034	0.3
55.01870	0.5
57.03452	1.5
58.00607	0.3
59.01380	55.8
60.01715	0.4
67.01909	0.6
68.99818	0.7
69.03452	1.0
69.67538	2.5
71.01387	10.8
72.99314	3.2
73.02958	1.7
75.00879	9.3
79.95746	3.4
80.96515	2.1
83.01404	0.7
84.02156	0.4
85.02961	11.5
86.03320	0.3
87.00890	5.0
89.02457	3.4
95.01393	2.8
95.95277	0.7
96.96023	100.0
97.95962	0.3
98.19970	0.4
99.00890	6.2
101.02465	2.2
103.00392	1.0
111.00896	0.5
112.01634	0.3
113.02462	14.0
113.06101	38.6
114.02812	0.4
114.06427	1.7
115.00371	1.2
117.01945	1.8
119.05019	0.4
122.06098	0.3
122.97591	0.7
129.01939	0.9
131.03520	0.5
138.97092	1.1
150.97075	1.3
152.98631	0.8
157.01434	0.6
159.10110	0.3
165.04019	1.2
175.02454	1.2
180.98169	2.6
187.02663	0.3
205.07138	0.8
223.08232	0.7
231.05005	1.2
239.26369	0.3
241.00233	5.7
249.06154	13.7
250.06432	0.9
267.07202	19.9
268.07462	1.0
312.89948	0.3
321.15414	1.4
345.11649	0.6
363.07364	87.7
363.12708	35.7
364.07690	9.2
364.13028	3.8
364.17395	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09492	0.5
51.89135	0.5
55.01876	4.2
57.03447	17.0
57.03710	0.8
57.37850	0.5
59.01372	7.6
62.94735	0.6
64.18398	0.5
69.03416	2.2
69.64902	2.6
69.65325	2.2
71.01376	3.7
71.04964	0.6
72.99265	1.1
73.02900	2.6
75.00832	2.1
79.95694	0.9
82.02935	1.3
83.01351	0.8
85.02956	11.4
86.41350	0.5
87.00406	0.8
87.00877	9.9
89.02398	2.4
95.01367	0.7
96.16693	0.6
96.95470	1.0
96.96015	10.8
97.06562	0.6
98.03719	0.8
98.20705	1.1
98.95586	2.8
99.00840	0.6
99.04486	1.6
100.83331	0.5
101.02439	3.1
111.08128	2.5
113.02450	1.8
116.05041	1.0
119.03484	1.0
119.96494	0.6
125.08817	1.0
125.09733	18.7
126.10027	0.8
127.07706	3.7
129.01906	1.8
133.02963	0.7
135.08138	0.9
136.04100	1.0
147.03018	5.3
153.09229	9.1
157.08713	0.7
161.04488	0.6
164.03481	2.0
169.08646	1.2
171.10278	44.9
172.10666	2.7
191.01982	1.4
191.07500	1.5
194.04573	0.8
196.06097	0.6
197.08199	1.6
202.08713	1.2
209.03001	0.8
215.09239	100.0
216.09579	6.2
241.00304	0.6
250.06541	0.6
257.12930	0.8
267.07068	1.3
283.08698	0.8
287.10367	5.0
331.09436	2.4
345.12094	1.0
363.07965	1.1
363.13043	35.7
363.16733	2.6
364.13437	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	363.0757
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57458	0.2
55.01880	0.4
57.03442	0.3
58.75134	0.2
59.01378	3.2
69.03457	1.1
71.01380	3.0
71.43944	0.5
72.99309	0.7
73.02950	1.0
75.00890	0.3
79.95742	4.0
79.96198	0.3
80.96518	2.5
81.54343	0.3
82.02986	1.3
83.01388	0.9
85.02962	2.6
87.00863	0.5
89.02430	0.3
95.95255	1.5
96.96020	90.7
97.02958	0.9
97.95972	0.5
99.00892	0.7
101.02464	2.3
111.00888	0.3
113.02455	0.9
113.06084	0.4
119.05067	0.6
120.01262	3.3
122.06142	0.5
122.97588	1.7
129.01921	0.4
133.02956	0.5
136.04060	1.0
138.97092	1.9
141.01944	0.6
150.97081	2.4
159.46848	0.3
160.39845	0.2
162.04735	0.3
164.03548	1.7
164.98601	0.5
177.05591	0.6
180.98192	1.2
185.00917	0.6
194.04590	0.5
195.05199	0.3
196.06221	0.6
222.98996	0.3
231.08015	0.3
241.00214	4.8
249.06155	0.3
267.07227	0.5
287.10358	3.1
288.10501	0.3
301.71011	0.3
331.09235	1.1
345.13623	0.9
363.07547	100.0
364.07883	10.0
364.11682	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.5
55.01879	3.9
59.01377	7.3
61.98822	0.6
63.35289	0.4
67.01899	1.0
69.03457	100.0
69.40124	4.7
70.03777	2.5
71.01390	2.5
72.99309	2.8
73.02939	1.1
78.95909	1.1
79.01897	1.0
79.95747	1.6
80.96531	0.6
83.01405	0.6
85.02968	2.5
87.00882	0.7
88.04089	0.6
89.02474	0.4
95.01395	2.9
95.95250	0.6
96.96015	10.6
96.96952	0.5
97.02959	20.3
98.03328	1.0
98.95628	0.5
99.00889	27.5
100.01278	0.5
101.02466	0.7
111.78143	0.4
113.02509	0.8
119.05080	1.5
123.00912	1.2
124.64890	0.4
125.89211	0.5
131.03421	0.4
141.01961	6.4
177.05568	2.7
185.00929	44.9
186.01306	2.4
194.55034	0.4
211.13464	0.6
211.94196	0.4
229.14441	0.9
241.00328	1.1
363.07355	4.8
363.11215	0.6
363.14771	1.4
364.07516	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0754
Annotation	Sulfometuron methyl
Peak:m/z	Relative Intensity
59.01382	2.0
62.43466	0.2
69.53082	2.5
71.01386	1.6
72.99301	0.4
73.02967	0.3
75.00855	0.3
79.95739	2.8
80.96525	1.4
83.01402	0.4
85.02932	1.4
87.00864	0.3
89.02454	0.5
94.98109	0.3
95.95268	0.6
96.88031	0.3
96.96021	100.0
98.19911	0.6
101.02460	1.9
101.46772	0.2
102.54553	0.3
113.02468	0.8
113.06104	1.1
122.97567	0.7
138.58374	0.2
138.97075	0.8
150.97083	1.1
152.98683	1.0
153.10983	0.3
180.98111	2.4
241.00226	5.2
241.94978	0.3
249.06183	0.5
267.07272	0.4
363.07541	94.6
364.03284	0.4
364.07852	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	361.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.2
57.03451	13.7
59.01381	13.2
61.98830	4.7
71.01389	3.1
71.73460	1.2
71.73935	1.0
72.97224	0.9
72.99281	0.8
73.02959	1.7
75.00863	2.1
79.95759	1.3
82.02025	0.8
83.01398	3.1
84.02159	2.1
85.02957	100.0
86.03293	2.1
87.00883	2.2
96.96033	6.9
101.02441	1.7
103.00395	1.4
111.00894	3.5
117.78644	0.8
126.28810	0.9
129.01964	9.8
134.06152	1.9
147.03020	12.1
162.05606	3.4
169.12346	2.2
173.00941	1.8
191.02000	34.1
192.02388	1.7
209.02963	3.0
214.12277	1.0
229.14424	3.8
242.11418	1.0
283.10837	1.8
311.10422	2.3
329.11395	1.9
343.13141	2.2
361.14301	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	361.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20149	1.1
55.01869	2.6
57.03448	6.6
58.00587	4.2
59.01379	100.0
60.01687	1.4
60.05708	1.1
71.01385	54.5
71.10399	2.6
71.10734	1.2
72.99310	4.6
73.02959	4.2
79.95747	7.3
80.96508	5.7
83.01391	4.5
83.05014	4.0
85.02961	27.8
87.00886	16.3
89.02451	55.0
95.01386	3.7
96.96024	75.7
98.95601	1.3
99.00913	2.3
101.02457	35.3
105.01949	1.5
108.04549	1.4
111.00893	1.3
111.04524	3.5
111.08133	1.1
113.02464	24.1
119.03519	24.3
119.04978	1.7
119.08684	44.3
120.09000	3.0
121.06605	1.8
122.06232	1.2
123.08179	10.0
125.88783	1.1
129.01971	2.0
131.03534	2.1
134.03827	1.6
139.07632	1.8
140.07166	2.7
143.03513	3.5
147.03012	2.1
149.04553	1.9
151.07674	2.3
152.96851	1.7
153.09091	1.3
161.04585	6.4
163.07672	31.3
164.08029	1.9
168.96396	1.9
169.10181	1.4
171.11824	11.4
178.05176	1.2
179.05623	3.5
181.08688	7.6
182.08220	1.1
182.88704	1.2
183.10248	1.3
189.12852	3.7
191.01910	1.9
196.95833	5.1
197.99193	1.3
198.99982	3.2
201.12798	4.2
207.13905	3.2
213.07722	1.4
214.96895	3.6
218.10335	1.1
237.14955	12.8
238.15231	1.9
247.93358	1.0
281.13947	13.9
287.83588	1.2
317.10855	4.7
327.08871	1.4
331.13940	3.7
343.13953	52.0
344.14386	7.9
361.06055	3.7
361.09625	89.4
361.14954	53.2
362.09949	12.2
362.15286	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	363.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.6
59.01374	5.4
61.98809	0.3
64.07422	0.3
67.01879	0.7
69.03458	100.0
70.03794	2.2
70.08825	0.3
71.01381	2.0
71.42545	0.4
71.42887	0.4
72.99323	2.1
73.02941	0.4
78.95897	0.6
79.01905	1.2
79.95754	1.4
85.02960	2.3
87.29540	0.3
88.04090	0.4
95.01399	2.6
95.95248	0.9
96.96022	7.8
96.96989	0.5
97.02962	20.5
98.03262	0.5
98.95632	0.6
99.00892	24.0
100.01244	0.7
100.62597	0.3
101.02464	0.4
113.02464	0.6
119.05058	1.9
121.02956	0.4
123.00909	1.1
130.32565	0.3
131.03520	0.3
132.62581	0.3
141.01956	5.7
170.16750	0.3
177.05540	2.6
185.00943	41.9
185.11821	0.3
186.01286	1.8
211.13385	0.4
229.14514	0.7
303.30600	0.4
334.64069	0.3
355.30780	0.3
363.07343	4.7
363.11157	0.4
363.14813	1.4
364.07687	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01780	0.7
59.01265	3.7
59.01594	1.4
68.99737	0.8
69.87204	4.6
71.01270	2.1
72.99204	1.1
73.02876	0.8
75.00797	1.4
85.02840	3.8
87.00791	1.0
95.04940	0.7
96.95883	7.4
99.00811	1.2
101.02368	0.8
107.03655	0.7
108.04396	0.8
110.05992	4.1
113.02383	1.2
114.58710	0.6
116.05000	1.1
118.06546	1.6
120.04481	1.1
121.05260	1.4
122.06133	14.7
123.06322	0.9
129.01849	0.7
131.03687	1.2
132.04601	3.1
134.03600	0.7
134.05981	1.1
135.03102	1.0
138.05437	3.9
139.05872	1.2
144.04588	3.9
145.05365	16.6
145.06441	1.1
146.06148	7.7
147.03113	1.1
148.04042	3.4
151.22319	0.7
152.03445	1.3
159.03270	3.9
160.04060	52.8
161.04845	27.8
161.06129	0.9
162.05382	3.6
164.03413	1.4
175.02611	1.7
176.03548	9.7
177.04312	8.6
179.10710	0.8
188.03557	4.9
189.04333	69.4
189.06892	1.8
190.04868	7.8
192.02867	2.7
193.03819	13.7
199.09727	1.1
199.13518	0.6
203.05803	1.7
220.02538	0.7
220.05974	1.9
221.01407	1.0
221.03365	14.0
221.06909	19.1
222.03616	0.7
222.07378	1.7
231.11269	2.6
236.07939	1.5
240.10246	0.9
241.00075	2.1
243.11400	5.5
244.11652	0.7
253.05888	5.8
255.11374	15.9
256.11670	1.6
261.12415	1.2
267.11383	30.1
267.67966	0.7
268.11765	3.1
271.10962	1.7
283.10892	3.6
285.12442	4.4
299.10355	11.9
300.10818	1.3
311.10376	36.2
312.10565	3.0
329.11459	17.8
330.11746	1.9
331.13019	22.3
332.13409	3.2
343.13000	100.0
344.13284	13.3
361.09839	1.8
361.14111	31.1
362.14310	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	361.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60141	0.7
55.01867	2.6
57.03455	12.6
59.01380	10.3
61.98843	3.7
68.99821	0.9
69.50564	5.7
71.01392	5.5
72.99308	1.5
73.02969	1.1
75.00873	2.2
79.95724	1.6
83.01388	2.9
84.02165	2.3
85.02959	100.0
86.03300	2.2
87.00891	1.6
96.96027	8.2
97.84174	0.8
98.95592	1.2
101.02405	1.6
103.00385	1.9
111.00890	5.2
115.00392	1.0
127.18068	0.7
129.01961	11.2
143.44809	0.8
147.03024	11.3
148.47763	0.8
169.12405	2.3
173.00937	2.1
191.01990	40.9
192.02306	0.9
209.02986	1.8
258.09366	1.0
261.10596	0.9
287.07434	2.3
287.57672	4.4
360.60516	1.9
361.15335	2.7
362.15326	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1505
Annotation	1-O-beta-D-Glucopyranosyl-4-epiamplexine
Peak:m/z	Relative Intensity
52.20149	1.1
55.01869	2.6
57.03448	6.6
58.00587	4.2
59.01379	100.0
60.01687	1.4
60.05708	1.1
71.01385	54.5
71.10399	2.6
71.10734	1.2
72.99310	4.6
73.02959	4.2
79.95747	7.3
80.96508	5.7
83.01391	4.5
83.05014	4.0
85.02961	27.8
87.00886	16.3
89.02451	55.0
95.01386	3.7
96.96024	75.7
98.95601	1.3
99.00913	2.3
101.02457	35.3
105.01949	1.5
108.04549	1.4
111.00893	1.3
111.04524	3.5
111.08133	1.1
113.02464	24.1
119.03519	24.3
119.04978	1.7
119.08684	44.3
120.09000	3.0
121.06605	1.8
122.06232	1.2
123.08179	10.0
125.88783	1.1
129.01971	2.0
131.03534	2.1
134.03827	1.6
139.07632	1.8
140.07166	2.7
143.03513	3.5
147.03012	2.1
149.04553	1.9
151.07674	2.3
152.96851	1.7
153.09091	1.3
161.04585	6.4
163.07672	31.3
164.08029	1.9
168.96396	1.9
169.10181	1.4
171.11824	11.4
178.05176	1.2
179.05623	3.5
181.08688	7.6
182.08220	1.1
182.88704	1.2
183.10248	1.3
189.12852	3.7
191.01910	1.9
196.95833	5.1
197.99193	1.3
198.99982	3.2
201.12798	4.2
207.13905	3.2
213.07722	1.4
214.96895	3.6
218.10335	1.1
237.14955	12.8
238.15231	1.9
247.93358	1.0
281.13947	13.9
287.83588	1.2
317.10855	4.7
327.08871	1.4
331.13940	3.7
343.13953	52.0
344.14386	7.9
361.06055	3.7
361.09625	89.4
361.14954	53.2
362.09949	12.2
362.15286	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	361.114
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	2.5
59.01379	27.1
61.98841	6.3
71.01388	5.5
71.71220	1.0
72.99327	0.8
73.02962	2.1
75.00856	1.0
78.95911	0.8
79.21185	0.7
79.95754	4.4
80.96497	1.2
83.01388	1.1
83.05042	2.3
85.02965	7.0
87.00876	2.7
89.02443	1.3
95.01418	2.0
95.95202	1.2
96.96021	100.0
96.96903	3.7
98.95589	1.8
99.00877	0.7
101.02460	3.8
111.00896	1.3
111.04504	0.9
111.08191	1.0
113.02480	3.8
120.01205	0.8
121.03005	1.6
121.06614	1.2
123.00901	33.6
123.08176	6.6
124.01807	3.6
125.02515	1.3
129.01933	1.0
135.04509	1.0
137.02470	1.6
138.03253	28.8
139.04056	10.0
139.07677	1.0
140.01276	0.7
145.10281	0.9
149.02464	2.1
151.04056	1.2
151.07660	0.9
155.03548	1.6
161.04576	11.4
166.02716	1.2
168.24791	0.8
169.10114	0.7
171.11809	6.3
172.12238	1.0
180.98177	0.9
181.05086	2.1
189.12883	2.0
190.30791	0.7
193.05060	1.6
201.12946	2.7
207.14003	1.7
237.14964	6.2
241.00241	3.8
249.06076	1.1
256.99863	0.8
264.03836	0.8
281.13959	8.7
281.95587	0.9
290.87119	0.8
301.09274	16.0
302.09662	1.0
361.09616	69.7
362.10001	8.1
369.46484	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33537	0.8
59.01387	1.6
69.42572	5.4
69.42999	1.9
71.83064	0.6
75.00898	0.6
85.02969	1.2
95.05047	0.9
96.96061	2.7
110.06131	4.8
111.72700	0.8
113.02509	0.7
116.05086	1.5
118.06652	1.0
119.03801	1.4
120.04585	1.3
121.05363	2.9
122.06140	14.5
124.04189	0.8
131.03784	1.0
132.04572	3.2
134.06096	1.0
135.03339	0.7
144.04562	4.5
145.05344	15.0
146.02580	0.6
146.06152	8.8
147.03320	0.7
148.04074	3.2
152.03545	1.5
159.03320	2.9
160.04056	51.0
161.04843	27.1
162.05510	2.6
164.03589	1.1
175.02802	1.3
176.03503	9.4
176.04749	0.8
177.04326	6.8
178.04820	1.0
188.03481	3.7
189.04324	71.6
190.04910	6.1
192.03078	3.2
193.03787	11.3
193.05278	1.1
203.05931	2.5
220.06200	1.6
221.03368	13.2
221.06920	20.1
221.21039	0.7
222.03499	1.1
222.07277	1.0
231.11398	3.9
243.11363	6.9
253.05937	6.6
255.11353	16.9
255.13853	1.2
256.11725	1.9
256.96637	0.7
261.12402	1.1
267.11365	29.0
268.11700	2.7
271.10864	1.2
283.10855	3.1
285.12399	3.2
299.10376	12.5
300.10657	1.4
311.10382	40.5
312.10684	4.8
329.11465	15.3
330.11856	2.6
331.12958	21.1
332.13327	2.1
340.33252	0.7
343.12988	100.0
344.13321	13.4
361.10062	1.3
361.14047	31.5
362.14355	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	361.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.8
57.88505	0.4
59.01384	2.0
65.03995	0.5
69.03432	0.3
71.31510	0.8
79.95737	0.7
83.05038	2.3
85.02936	0.8
87.00883	4.2
93.03465	0.4
95.05022	0.7
96.96020	38.4
101.06079	0.5
111.04539	1.8
111.08194	0.9
119.08678	0.9
121.06602	2.0
123.08176	8.1
124.05347	0.7
137.09743	1.1
139.07668	1.6
143.17955	0.4
145.10257	1.1
151.07703	0.9
153.09235	1.2
169.08774	0.6
169.10197	0.8
171.11816	10.6
175.11316	0.6
177.62566	0.4
185.09792	0.5
189.12881	3.7
201.12842	2.7
207.13924	2.8
219.13933	2.0
237.14952	11.0
281.13943	16.5
282.14197	1.2
317.10736	0.6
343.13922	1.0
361.09619	100.0
362.09949	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	361.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.5
57.03444	2.8
59.01378	1.9
65.03957	1.0
71.15011	0.4
71.15356	0.8
79.05595	0.4
79.95741	0.9
81.03473	0.4
82.97503	0.4
83.05033	3.4
85.02951	1.9
87.00878	4.0
93.03465	0.5
95.05032	0.7
96.96019	49.9
97.02956	0.5
111.04539	1.6
111.08160	1.3
113.06192	0.6
119.08692	0.4
121.06608	2.2
123.08176	12.4
124.05341	0.5
124.08490	0.5
133.06653	0.7
137.06125	0.5
137.09735	1.5
138.06903	0.7
139.07658	1.9
145.10289	1.9
151.07678	1.7
153.09225	1.0
169.08788	0.9
169.10225	1.2
171.11810	12.8
172.12117	1.0
175.86293	0.4
189.12881	4.2
201.12866	5.3
207.13922	3.3
219.13780	2.0
223.55194	0.4
237.14960	14.1
238.15259	1.5
281.13925	20.7
282.14270	1.6
317.10483	0.4
361.09610	100.0
362.09918	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30173	0.5
59.01380	23.5
61.98806	1.4
64.58540	0.4
65.23204	0.4
69.89846	0.4
69.97101	2.9
193.33727	0.5
259.20703	0.7
275.20145	0.9
277.21716	100.0
278.22064	11.9
359.22049	27.8
360.22498	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	361.0599
Annotation	Fosphenytoin
Peak:m/z	Relative Intensity
50.85913	0.2
51.54337	0.2
57.03444	0.3
59.01374	2.5
59.75464	0.2
69.03453	0.8
70.31259	0.9
71.01379	3.3
72.99317	0.6
73.02944	1.0
75.00879	1.4
76.83749	0.2
79.95742	3.6
80.91717	0.2
80.96521	2.0
83.01392	0.6
84.70338	0.2
85.02956	2.7
87.00874	1.2
89.02455	0.7
93.03460	0.3
95.01411	0.4
95.95245	0.8
96.96018	100.0
97.02969	0.4
97.95916	0.4
97.96489	0.3
99.00903	1.4
101.02450	1.5
106.53368	0.3
107.34456	0.2
111.04544	1.0
113.02471	2.6
119.05041	1.5
122.97582	0.6
125.02473	0.3
135.11829	0.2
136.84526	0.2
138.97089	5.4
143.03461	0.4
150.97081	0.8
161.04601	0.2
161.06079	0.3
161.09630	0.5
164.98668	0.8
167.73343	0.2
168.98145	0.4
175.02448	0.3
179.10756	1.0
180.98109	0.7
191.07248	0.2
198.62473	0.2
198.99118	0.3
222.99205	1.0
236.07976	2.9
236.58144	0.5
241.00223	17.2
242.00397	0.6
249.06123	1.1
267.07147	1.5
293.91772	0.3
342.78482	0.2
351.94467	0.2
360.60132	1.0
361.05975	57.4
361.61444	0.9
362.06284	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	361.0809
Annotation	DAF-2
Peak:m/z	Relative Intensity
55.01887	0.4
57.03445	0.3
59.01385	2.6
61.98832	1.3
70.06052	1.6
71.01379	1.8
72.99326	0.5
73.02953	0.9
78.95909	1.7
79.95734	2.3
80.96538	1.4
83.01396	0.8
85.02962	1.6
87.00880	0.5
89.02459	0.5
95.95253	0.3
96.96019	84.0
97.95974	0.3
98.20618	0.4
98.95608	0.4
101.02457	1.9
111.00895	0.5
112.98756	0.4
113.02454	1.2
116.92924	0.3
117.01955	0.4
122.97590	1.0
123.04570	0.4
123.08112	0.4
138.97089	1.0
150.97105	1.4
151.04031	1.1
152.98656	1.1
156.03497	0.7
169.10115	0.3
171.11737	0.3
174.04556	0.5
180.98131	2.2
181.05014	0.3
211.00105	1.0
216.05600	0.6
230.03464	0.6
237.14932	0.8
240.98083	0.3
241.00233	7.8
249.06070	0.4
281.13876	0.6
313.09488	0.3
361.08084	100.0
362.08209	9.8
364.57828	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.1
57.03448	13.9
59.01375	6.3
68.99820	0.8
71.01377	2.9
71.11948	0.9
72.99308	1.3
73.02960	0.7
75.00864	0.9
83.01385	2.6
84.02163	2.6
85.02958	100.0
86.03294	2.4
87.00880	1.4
87.74911	0.3
91.63372	0.3
96.96019	0.7
101.02431	0.7
103.00384	1.6
111.00889	4.2
115.00408	0.6
118.94878	0.3
129.01955	8.9
147.03017	11.6
149.04581	0.7
149.40034	0.4
165.12842	0.8
167.10738	1.8
173.00949	1.9
183.13939	5.4
191.01987	33.5
192.02330	1.4
209.03052	2.3
227.12885	4.1
228.13214	0.4
254.62427	0.4
307.60983	0.4
359.13400	2.2
359.17386	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70800	0.2
55.01878	2.3
57.03448	12.5
58.00605	0.4
58.81738	0.3
59.01093	0.4
59.01382	8.0
61.98843	0.7
62.76664	0.2
65.66528	0.2
68.99814	0.6
71.01383	4.5
71.05075	0.9
72.99308	2.1
73.02959	0.8
74.41705	0.3
75.00867	1.8
83.01395	2.0
84.02172	2.8
85.02959	100.0
86.03294	2.3
87.00879	0.9
89.02442	0.6
96.11192	0.3
96.96022	1.3
99.00903	0.6
101.02482	1.4
103.00385	1.8
108.70927	0.3
111.00894	5.0
115.00391	0.8
129.01959	9.0
140.35162	0.3
145.01416	0.3
147.03012	11.0
165.12921	0.4
167.10774	2.6
173.00906	2.1
183.13869	1.5
191.01988	32.6
192.02371	1.2
201.14899	0.3
203.33119	0.3
209.03030	2.8
227.12875	1.4
235.13399	0.5
269.90750	0.3
283.10947	0.4
341.12253	0.3
359.13693	1.5
359.27911	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	359.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34332	0.3
57.03434	1.1
58.92705	0.2
59.01366	0.8
69.03459	0.9
69.78111	1.6
71.01384	0.6
73.02945	0.9
74.73471	0.2
85.02958	2.1
88.17998	0.2
89.02432	2.0
98.19919	0.4
111.08173	1.7
129.01952	0.4
131.03502	1.2
149.04578	8.3
165.12859	25.5
166.13210	2.1
181.12332	0.5
183.13910	100.0
184.14241	6.3
191.02026	0.8
191.10765	0.5
203.85249	0.4
209.11928	1.8
227.12881	89.8
228.13196	7.0
359.17108	16.8
359.21674	0.6
360.17496	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	359.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.6
57.18888	0.6
59.01377	4.5
61.98831	1.3
63.96242	0.5
67.29939	0.4
68.54040	0.5
69.03441	1.7
70.87151	1.7
71.01364	1.9
73.02965	1.5
75.00877	0.8
85.02956	13.3
87.00889	0.8
87.04498	0.5
89.02450	3.1
94.98248	0.5
96.96017	2.5
97.06624	0.6
101.02452	1.0
103.04045	0.7
104.33874	0.6
111.00858	0.6
111.08173	1.8
129.01965	1.5
131.03522	1.2
147.02998	1.4
149.04576	13.2
165.12862	27.8
166.13182	1.7
167.10847	0.7
183.13910	100.0
184.14226	6.7
191.01976	4.8
209.11874	1.7
227.12886	85.5
228.13205	6.4
288.70627	0.6
359.17130	24.6
359.28027	3.0
360.17496	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	359.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.9
57.03447	14.0
59.01379	8.4
71.01373	2.8
71.05364	0.8
72.99282	1.0
73.02938	0.7
75.00869	1.7
75.15746	0.5
83.01398	1.6
84.02194	2.8
85.02957	100.0
86.03278	2.4
87.00884	1.4
89.02428	0.5
96.96017	0.9
101.02458	0.9
103.00382	1.8
111.00890	4.8
111.41783	0.5
115.00371	0.5
122.66649	0.4
129.01970	9.3
142.51271	0.5
144.04558	0.5
147.03011	12.2
167.10786	1.6
173.00931	1.6
175.80421	0.4
184.87617	0.5
191.01988	35.3
192.02361	1.2
203.05893	0.4
209.03033	1.7
216.58745	0.4
222.05052	0.5
248.60535	0.5
255.19569	1.0
337.71686	0.5
359.13422	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	359.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94662	0.2
55.01880	0.2
57.03442	0.6
59.01375	2.8
69.96275	0.2
71.01377	2.3
72.99318	1.3
73.02954	0.5
79.95740	2.5
80.96515	1.4
83.01395	0.6
85.02954	2.7
87.00888	0.3
90.78512	0.2
96.96021	66.3
98.95619	0.4
99.00874	0.3
101.02458	2.1
103.66252	0.2
105.63243	0.2
113.02443	0.6
119.03509	0.2
122.97615	1.0
123.04538	0.6
135.04530	0.6
138.97098	2.0
149.35498	0.3
149.36668	0.2
150.97112	1.2
164.98619	0.7
179.03546	0.5
180.98161	1.3
191.02016	0.4
197.04584	2.2
198.99200	0.9
206.49092	0.2
209.02998	0.3
241.00241	3.6
296.96884	0.3
359.10147	100.0
360.10495	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	359.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.4
57.03429	0.4
59.01372	1.7
70.03043	1.1
70.40923	0.3
71.01380	2.1
72.99313	0.5
73.02940	0.8
79.95732	2.8
80.96527	2.3
83.01399	0.6
85.02939	1.7
95.95258	0.5
96.96018	90.5
97.95924	0.4
98.20614	0.5
101.02450	2.0
111.55585	0.3
113.02456	0.7
122.97598	1.4
138.97141	1.4
139.89201	0.3
143.03535	0.3
150.97096	1.5
164.98621	0.7
180.98137	1.1
214.52776	0.3
241.00243	3.8
293.93237	0.3
359.10153	100.0
360.10504	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	359.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98974	0.8
57.03442	2.0
59.01380	9.5
60.61583	0.8
61.98820	2.0
69.03467	0.8
71.01376	6.0
71.71549	1.8
72.00912	8.4
72.99300	3.3
73.02951	2.3
75.00381	0.8
79.95746	7.4
80.96516	5.5
83.01400	2.1
85.02962	16.6
89.02451	3.4
96.96024	99.6
98.95026	1.0
98.95599	5.4
98.96453	1.1
101.02459	4.9
105.65639	0.9
109.02950	1.5
109.45674	0.9
113.02444	1.7
119.03470	1.2
120.01265	1.4
123.04505	2.0
129.01949	1.1
135.04530	4.6
136.99155	3.0
137.02472	1.7
138.03223	1.9
138.97089	2.4
147.02992	1.9
150.97113	1.6
151.04039	2.0
151.42177	0.8
153.05582	1.0
155.03564	1.2
161.04604	0.9
164.98647	5.0
172.32155	1.0
179.03535	2.6
180.98163	1.8
181.06676	1.3
182.99762	1.8
191.01979	3.5
193.06580	3.9
197.04585	6.4
198.99200	2.1
207.08176	6.0
209.03001	2.5
209.06082	2.0
211.07719	2.0
219.08167	9.1
223.07637	4.1
224.08421	6.9
225.09116	5.0
226.08813	1.2
234.09244	3.4
235.07516	2.1
236.10686	2.2
237.05583	1.9
237.09196	24.8
238.09474	2.2
239.09393	1.9
240.10252	3.0
241.00319	7.1
241.10954	1.5
243.97064	0.9
252.10234	6.5
253.08562	2.0
254.08261	3.2
254.11880	8.4
256.07382	6.2
263.07169	7.0
267.09009	2.1
268.07281	1.6
268.09808	2.0
271.08322	1.7
273.10046	2.1
280.09750	8.6
281.08160	12.7
282.08405	1.0
285.10022	2.6
296.09265	3.3
297.07602	1.2
297.12439	1.1
298.10800	8.0
300.06412	3.3
313.11938	6.0
314.10284	1.9
315.13501	2.0
317.05423	1.5
317.08951	3.5
324.08716	7.2
341.11444	37.3
342.10251	3.1
342.11209	3.1
359.10080	100.0
359.12753	46.6
360.06052	2.2
360.10349	7.1
360.12976	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	357.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51584	0.2
54.43106	0.3
57.03445	0.7
58.00051	0.2
59.01134	0.4
59.01385	3.8
69.50195	1.6
69.50600	0.8
71.01392	1.8
72.99307	0.5
73.02946	2.2
75.00854	0.3
78.31647	0.3
79.95747	3.0
80.96519	1.9
83.01382	0.7
85.02954	3.1
87.00877	0.4
88.04031	0.3
95.95255	0.6
96.96021	74.3
98.20304	1.2
99.00907	0.3
101.02451	1.5
111.93665	0.3
113.02435	0.3
122.97584	1.0
138.97105	2.1
150.97089	1.2
163.04211	0.3
164.98660	0.5
180.06664	0.6
180.98117	1.0
198.99144	0.9
241.00250	3.3
310.85080	0.3
331.84668	0.3
357.12231	100.0
358.12576	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	359.0147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	86.4
60.01715	1.1
60.10252	0.3
60.35165	0.3
61.98832	2.9
70.09404	0.7
70.09818	0.8
72.99326	1.7
75.04337	0.3
90.97139	0.7
98.20618	0.3
107.75163	0.3
114.98151	0.3
114.98867	1.7
118.96690	0.5
129.48582	0.3
132.98254	2.1
156.90874	1.5
156.99948	4.3
157.03545	2.0
159.01505	1.9
161.98938	0.3
174.99268	23.8
175.99640	0.7
198.91924	1.3
201.02565	25.1
202.02713	2.9
215.04131	0.4
217.00310	100.0
217.98135	0.6
218.00687	3.4
232.98441	0.5
259.01639	0.3
269.03604	0.5
274.99484	1.9
275.99689	0.4
299.01093	1.9
299.04590	0.6
317.00552	2.6
318.00723	0.6
359.01526	10.0
360.01837	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	357.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17492	0.2
55.01883	0.3
55.62037	0.2
57.03419	0.3
59.01101	0.3
59.01382	3.8
69.55128	0.5
69.55538	1.6
71.01390	1.8
72.99329	0.4
73.02963	0.5
79.95741	1.7
80.96531	1.2
83.01403	0.6
85.02967	1.8
87.00878	0.3
95.95246	0.7
96.96021	71.5
97.95942	0.5
99.00865	0.4
101.02480	1.3
113.02461	0.4
122.97596	0.9
138.97081	2.2
139.11288	0.3
147.77696	0.2
150.97086	1.3
164.98653	0.6
180.98128	1.0
183.10358	1.2
198.99133	0.5
222.99043	0.3
225.14952	1.2
241.00217	3.3
281.97467	0.2
296.22809	0.3
312.26852	0.2
315.18158	0.3
323.47018	0.2
346.76370	0.3
357.12238	100.0
357.52692	0.2
358.12579	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.7
61.98832	100.0
69.03479	0.5
70.88675	1.2
70.89008	0.7
85.02953	5.1
86.03305	1.6
89.02468	0.5
106.59660	0.5
109.58749	0.6
115.04118	0.5
124.04630	0.6
134.33060	0.5
151.32719	0.6
153.30695	0.6
170.06088	0.5
191.02036	0.9
209.03154	1.4
210.03496	1.3
228.04683	0.5
239.07011	0.6
313.06470	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0981
Annotation	porphyrin-5,10,15-triol
Peak:m/z	Relative Intensity
54.33666	0.5
57.03440	1.1
58.64800	0.5
59.01383	4.0
65.00316	0.5
69.03465	0.6
69.38117	2.6
69.38546	3.1
71.01381	1.7
75.00890	1.3
77.19773	0.6
79.95718	0.8
85.02956	4.3
86.03305	0.6
87.00895	0.8
91.01891	3.4
93.03473	6.0
96.96017	6.6
96.99316	5.9
98.95593	1.5
101.02421	0.5
106.06660	0.7
108.02187	2.0
109.02961	0.9
113.02439	0.6
113.03645	0.5
117.03456	2.0
119.05042	12.5
121.02962	0.8
122.99198	0.7
123.00970	0.9
123.04543	9.0
123.51276	0.5
124.01694	0.9
129.01935	0.9
130.04276	1.3
131.05042	3.2
133.02943	2.3
134.03764	14.0
135.04520	0.6
137.02544	0.6
143.05043	10.4
144.05409	0.5
145.02946	3.5
146.03770	5.2
147.04550	1.4
148.01756	0.9
148.05261	1.5
149.06122	0.7
150.03191	0.7
158.03778	3.6
159.04556	8.0
160.01665	0.9
161.06111	3.3
163.04028	7.5
171.04494	1.4
171.10310	1.0
173.06131	3.0
175.03934	0.8
178.02718	0.9
187.04042	1.0
193.05046	4.4
209.02937	0.7
225.11201	0.9
226.06366	3.4
235.07689	1.2
239.07033	0.6
241.00299	0.6
241.08681	2.3
250.06326	1.5
251.07115	17.6
252.07793	8.9
253.08704	5.3
254.09424	4.0
263.07050	1.0
265.08603	1.2
267.10260	1.6
279.06674	4.4
280.07391	15.5
281.07687	1.5
295.09766	12.2
296.09970	1.2
313.10825	1.7
315.18134	1.4
324.06329	2.4
327.08722	0.7
339.08667	5.3
357.09781	100.0
358.10123	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.8
56.02235	1.0
57.03448	12.9
58.03775	2.6
59.01372	9.7
60.01721	1.5
63.82041	0.8
68.99815	1.5
69.88741	5.5
71.01385	11.2
72.01736	2.3
72.99321	2.4
73.02930	0.9
75.00880	2.9
79.28149	0.7
82.85299	0.8
83.01402	2.2
84.01724	1.1
84.02174	2.6
85.02956	100.0
86.03291	33.5
87.00877	1.8
89.02461	3.8
89.19938	0.8
90.02800	0.8
96.96036	0.9
98.20599	1.6
101.02473	0.9
103.00386	1.4
111.00894	5.0
112.01235	2.6
115.00409	1.8
119.05045	2.1
120.05382	2.4
126.25493	0.9
129.01988	6.4
130.02264	2.7
133.01414	4.5
134.01814	1.4
147.02995	8.3
148.03323	3.6
160.01340	0.8
163.04024	1.6
163.94106	0.8
164.04401	1.2
173.00957	2.4
191.00276	0.9
191.01981	28.6
192.02328	20.6
193.02426	3.5
209.03027	66.4
210.03378	45.8
211.03452	6.1
276.88284	1.0
304.71179	0.9
356.06812	1.9
357.08582	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77575	0.7
55.01865	1.2
57.03450	9.4
59.01380	5.9
66.69406	0.7
68.99815	0.8
71.01371	4.8
71.15070	2.0
72.99319	2.0
75.00892	0.9
83.01410	1.5
84.02162	2.4
85.02959	87.2
86.03306	1.7
87.00878	1.2
89.02442	2.1
98.95284	0.7
103.00365	1.8
111.00900	4.2
115.03955	0.6
119.05040	2.9
129.01944	8.3
133.01436	2.8
135.62155	0.8
147.02995	10.5
161.81232	0.9
163.04015	2.1
173.00937	2.3
191.01988	38.1
192.02306	1.9
209.03032	100.0
210.03387	3.8
226.98343	0.7
357.04449	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79873	0.3
55.01880	0.9
57.03445	5.3
57.03706	0.6
59.01382	5.5
69.03471	0.3
69.51657	3.0
71.01382	3.9
72.99318	1.2
73.02943	0.7
75.00864	1.0
79.95758	1.7
80.96518	1.3
83.01365	1.5
83.28002	0.3
84.02170	1.1
85.02955	32.3
86.03315	0.8
87.00882	1.4
89.02459	0.8
90.98620	3.4
96.96020	57.9
99.00908	0.3
101.02451	1.3
103.00386	0.4
111.00890	1.0
113.02444	0.6
115.00377	0.6
119.05051	0.9
120.99673	2.7
121.02965	0.6
122.97556	0.7
129.01971	2.0
133.01453	0.7
134.03737	0.4
138.97102	1.5
147.03021	3.3
149.02415	0.4
150.97090	0.7
160.99173	0.5
163.04036	0.7
164.04744	0.4
164.98662	0.4
173.00937	0.6
175.04079	0.4
179.00211	2.7
180.98119	0.7
191.01990	9.9
192.02382	0.5
193.05110	0.5
198.99184	0.5
209.01259	1.4
209.03029	15.5
210.03299	0.6
241.00174	3.0
275.18561	0.6
318.73795	0.3
355.10666	100.0
356.11002	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	355.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05024	0.4
54.15184	0.6
55.01877	1.9
57.03448	13.5
59.01373	9.5
68.99818	1.5
70.21647	1.3
70.22038	1.3
71.01383	11.9
72.99316	2.7
73.02925	0.8
75.00871	3.7
83.01410	2.8
84.02159	2.2
85.02957	90.7
86.03291	2.4
87.00887	1.5
87.53031	0.5
89.02442	3.1
96.65494	0.6
98.20502	0.6
101.02460	1.3
103.00401	1.6
111.00872	4.7
115.00411	0.8
119.05024	2.4
129.01965	7.3
133.01456	3.6
147.03003	9.3
163.04031	1.1
173.00900	1.7
191.01981	35.9
192.02336	1.5
198.55054	0.5
209.03027	100.0
210.03427	5.7
349.78384	0.6
355.06805	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	355.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.2
56.90952	0.5
57.03448	12.6
58.31428	0.5
59.01377	7.5
68.99805	0.6
71.01388	7.2
72.99303	1.6
73.02935	0.6
75.00893	2.0
83.01382	2.1
83.91630	0.6
84.02171	2.5
85.02956	100.0
86.03286	3.4
87.00864	1.1
89.02444	2.1
89.44107	0.6
101.02454	0.5
103.00385	1.5
111.00887	4.6
115.00378	1.0
119.05026	1.9
127.78444	0.6
129.01947	7.9
133.01421	3.5
147.03027	10.0
163.02718	0.6
163.04034	2.0
173.00922	2.2
191.01985	36.3
192.02290	2.0
203.45793	0.5
209.03033	76.7
210.03348	2.8
256.27066	0.6
355.06491	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.9
57.03448	10.7
59.01378	6.3
62.63120	0.3
68.99816	0.7
71.01376	4.3
71.41712	0.6
72.62270	0.3
72.99303	1.4
73.02934	0.5
73.05849	0.3
75.00872	1.5
83.01390	2.3
83.70557	0.3
84.02174	2.4
85.02956	100.0
86.03271	2.2
87.00866	1.2
89.02446	1.3
103.00387	1.9
111.00902	3.4
115.00404	0.8
119.05004	2.4
129.01950	11.4
133.01447	2.1
147.03014	15.3
163.04024	3.4
173.00987	2.0
191.01985	42.7
192.02321	1.3
209.03026	70.1
210.03342	2.2
337.05630	0.6
355.06503	1.6
356.06754	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79259	0.5
55.01882	2.5
55.77021	0.5
57.03449	15.9
59.01383	8.8
68.99805	1.0
69.81247	0.5
71.01386	7.6
71.40317	1.3
72.99303	2.5
73.02935	0.6
75.00875	3.1
83.01398	2.6
84.02175	2.4
85.02958	100.0
86.03273	2.7
87.00883	1.5
89.02447	2.3
101.02473	0.9
103.00369	1.5
104.23122	0.5
111.00904	3.5
115.00368	0.8
119.05041	2.8
129.01964	8.4
133.01445	3.0
140.12033	0.5
147.03014	11.6
163.04031	2.1
173.00859	1.8
182.13531	0.6
191.01988	33.3
192.02431	1.3
209.03032	62.5
210.03368	3.2
219.85793	0.6
248.02359	0.6
286.79541	0.5
308.60971	0.5
355.06723	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	355.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57703	0.6
55.01871	2.4
57.03189	0.9
57.03450	13.1
59.01380	7.2
65.64677	0.5
68.99830	0.8
70.13048	2.4
71.01388	5.7
72.99312	2.6
73.02955	0.5
75.00876	2.4
83.01385	2.9
84.02164	2.9
85.02960	100.0
86.03298	3.2
87.00893	1.1
89.02473	1.5
89.04909	0.5
101.02462	1.2
103.00396	2.1
111.00904	5.3
115.00377	1.3
119.05051	3.1
127.96488	0.5
129.01964	8.5
130.02202	0.5
133.01472	1.6
145.03053	0.6
147.03004	11.4
148.03433	0.7
163.04030	2.4
173.00926	2.3
191.01991	30.2
192.02336	1.2
192.57605	0.5
209.03043	40.7
210.03387	1.7
353.46564	0.6
355.06815	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.3
57.03448	13.9
59.01378	6.5
59.15597	0.3
68.99815	0.6
70.88118	0.3
71.01386	3.9
71.41595	0.6
71.54351	0.3
72.99301	1.5
73.02940	0.8
75.00880	1.5
77.45542	0.3
83.01405	2.0
84.02174	2.9
85.02957	100.0
86.03288	2.8
87.00889	1.4
89.02444	3.0
90.96453	0.3
95.95469	0.2
96.96023	0.6
99.00922	0.3
101.02478	0.6
103.00381	1.8
111.00896	2.2
115.00426	0.5
116.18312	0.2
119.05044	3.6
121.02942	2.6
129.01956	7.6
131.03520	0.8
133.01439	0.7
139.23203	0.3
145.03029	0.6
147.03018	11.0
147.19371	0.3
148.03354	0.4
149.04578	10.0
150.04942	0.3
156.58170	0.3
163.04013	2.9
173.00957	1.1
174.67407	0.3
191.01988	23.4
192.02319	0.9
209.03029	19.8
210.03346	0.8
223.08058	0.3
233.12752	0.3
241.00240	0.3
258.66031	0.3
267.34100	0.3
287.24646	0.3
311.07761	1.0
355.06689	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	355.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.1
57.03448	13.6
59.01382	6.5
68.99821	0.8
71.01390	5.2
72.01740	0.4
72.99307	1.9
73.02971	0.4
75.00873	1.4
81.12736	0.4
83.01382	1.7
84.02165	2.6
85.02958	100.0
86.03283	3.0
87.00883	1.1
87.33041	0.4
89.02457	1.4
101.02464	0.6
103.00362	2.2
111.00890	3.1
115.00396	0.7
119.04355	0.4
119.05061	2.7
129.01961	9.1
133.01439	2.7
147.03015	12.1
163.02684	0.4
163.04054	2.0
173.00899	1.2
191.01988	33.9
192.02267	1.6
209.03032	53.8
210.03387	2.9
293.12668	0.5
355.06784	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	355.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.8
57.03455	8.4
59.01376	10.0
60.25752	0.7
65.52675	0.7
68.99816	3.1
71.01382	6.0
72.99314	1.7
73.01176	8.6
73.02947	1.2
75.00888	2.5
79.95747	0.9
83.01395	3.8
84.02185	1.7
85.02959	60.6
86.03302	1.9
87.00884	12.9
89.02443	1.6
90.98604	100.0
91.98992	1.2
96.96027	14.4
98.19830	1.4
101.02493	1.1
102.98611	1.1
103.00409	1.3
106.05274	0.9
111.00909	3.3
111.16745	0.8
115.00424	0.8
117.00184	10.3
117.03419	1.3
119.05048	2.0
120.99651	2.3
126.32900	0.9
126.90633	0.8
129.01964	5.9
132.02145	0.9
132.99675	1.2
133.01457	2.5
134.03757	11.2
135.01262	3.9
139.21565	0.8
143.05330	0.8
143.23596	0.8
147.03035	6.4
149.06133	1.6
157.12387	0.7
160.01648	5.1
160.99159	20.3
161.02502	1.5
163.03963	1.5
175.04030	11.0
176.04651	1.4
179.00218	74.2
179.10796	1.0
180.00516	1.2
191.00487	0.8
191.01999	20.0
191.07153	11.3
192.02312	1.0
193.05046	9.3
209.01334	1.9
209.03038	35.9
210.03380	1.2
219.06618	2.4
231.08704	1.4
244.66756	0.8
263.05511	4.0
267.06519	1.0
341.10507	1.1
355.06485	1.7
355.10657	11.2
355.17792	1.1
356.12036	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	355.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.6
57.03446	9.1
58.00554	0.6
58.99601	5.1
59.01382	14.1
68.99817	1.1
69.03442	0.7
69.83514	0.6
70.07653	3.6
71.01390	6.4
72.99300	1.3
73.02944	1.9
74.99092	2.0
75.00877	5.3
83.01398	2.8
84.02180	2.1
85.02959	66.4
86.03288	1.8
87.00881	8.8
89.02446	1.2
90.98598	2.9
96.96027	14.8
98.20562	0.8
99.00912	1.3
101.02454	1.4
102.91464	0.6
102.98603	12.0
103.00400	1.5
111.00900	2.3
113.02484	0.9
119.05048	4.6
120.01296	1.3
120.99672	95.7
121.02965	2.1
122.00012	2.0
129.01955	6.5
133.01454	2.6
134.03751	3.0
138.97076	1.1
143.03488	1.1
145.02960	0.9
147.02992	7.3
150.97087	1.1
163.04004	3.7
173.00922	0.8
179.00192	2.1
179.05641	8.0
189.12888	1.1
191.00262	2.1
191.01984	19.7
193.05092	2.9
209.01268	100.0
209.03069	30.3
210.01585	4.6
210.03384	1.5
210.20923	0.6
224.07991	1.0
233.11981	3.1
267.07254	0.8
272.63052	0.7
355.06613	0.8
355.10684	21.7
356.10544	2.5
373.66537	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.156
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48712	0.7
59.01380	8.7
61.98830	100.0
71.64513	1.0
79.95766	1.0
80.80201	0.7
89.02389	0.7
96.96019	17.0
96.96594	1.1
116.00500	0.7
156.13943	1.2
168.13908	1.5
192.51534	0.8
231.10316	2.1
238.80820	0.7
267.76620	0.7
271.22864	2.7
278.72546	0.6
288.16190	0.9
351.18497	9.8
352.18585	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	351.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33268	0.2
54.77171	0.3
59.01379	100.0
60.01711	0.8
69.93869	1.4
69.94284	0.5
71.01389	0.9
72.65084	0.3
73.02958	0.4
77.70623	0.2
81.29404	0.3
83.01416	0.3
85.02964	3.0
96.96017	2.0
101.02478	1.3
113.02502	0.2
129.02008	0.2
142.36293	0.2
144.14091	0.3
161.04765	0.2
188.61171	0.2
191.02051	0.4
280.76620	0.3
291.18103	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	351.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86608	0.5
55.01883	2.1
57.03447	14.3
58.03774	0.6
59.01375	12.4
61.98823	0.8
64.72348	0.4
68.99828	0.7
69.03445	0.5
70.40316	1.7
71.01389	6.4
72.99314	2.5
73.02946	1.8
75.00873	2.0
79.95768	0.8
81.03481	1.0
81.95358	0.6
83.01395	2.8
83.05053	0.5
84.02168	2.7
85.02959	100.0
85.06585	0.5
86.03286	1.8
87.00893	2.1
89.02471	1.4
94.98088	0.5
96.96021	5.8
98.95625	2.5
99.00894	1.5
99.04510	1.3
101.02446	1.9
101.06078	0.5
101.70183	0.4
103.00395	2.4
105.03462	1.2
109.02993	0.6
111.00895	4.9
113.02492	0.9
113.09738	1.6
115.00378	0.6
117.03469	0.8
119.05046	3.8
120.01240	3.3
121.02903	0.4
122.00848	1.5
122.06141	1.0
125.02464	4.2
129.01962	10.8
129.57353	0.4
130.05124	0.6
131.03540	0.6
131.06194	1.0
132.03046	0.5
133.01471	0.6
133.02969	6.0
133.04025	1.2
134.03659	2.8
135.04558	2.2
138.05682	0.7
139.03995	0.5
143.10880	0.5
145.02966	2.3
146.02472	0.6
146.04654	1.0
147.03030	12.0
149.02487	0.9
149.06090	0.6
150.44733	0.5
159.10303	3.7
160.01743	1.1
160.04088	0.8
161.02480	2.9
161.04523	0.9
163.03993	4.9
171.10255	0.6
173.00966	2.8
176.04659	4.1
177.01907	2.4
187.02444	0.5
189.05554	0.9
189.11377	0.4
191.01987	39.9
192.02338	1.6
204.06561	0.5
205.03564	3.2
208.50891	0.5
209.03026	12.4
226.06917	0.5
247.08394	2.4
271.10892	1.2
289.12125	0.5
291.07379	5.2
292.07541	0.8
307.04645	0.7
307.12994	0.8
333.11783	1.1
351.06116	2.5
351.12479	5.1
351.16623	3.8
352.06537	1.2
352.10641	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	351.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.5
57.03442	4.9
58.00586	0.4
59.01096	0.8
59.01376	14.1
61.98817	1.0
67.01882	1.0
67.43288	0.4
68.99810	1.3
69.03452	1.4
71.01385	13.4
71.72033	0.6
72.01685	0.4
72.99316	5.9
73.02942	1.6
74.34480	0.4
75.00452	0.9
75.00877	14.1
79.58706	0.4
79.59181	0.4
79.95737	0.7
81.03447	3.0
83.01405	2.2
84.02171	1.0
85.02956	39.7
86.03289	1.9
87.00889	6.0
88.04047	1.7
89.02444	3.5
92.05095	0.5
93.03500	0.8
94.06634	0.5
95.01392	4.7
95.05087	0.4
96.96017	7.8
97.02914	0.8
98.95600	4.3
98.96411	0.8
99.00889	9.7
100.01271	0.6
101.02433	2.1
101.06090	100.0
102.06413	3.2
103.00381	1.9
105.03501	0.9
108.04545	0.7
109.02960	1.2
111.00886	2.9
113.02455	17.5
114.02758	0.5
115.00356	2.6
117.01962	2.5
117.03477	1.9
119.04245	0.8
119.05038	9.6
120.01260	1.1
120.05408	0.5
122.06145	1.4
123.04537	0.7
125.02469	8.7
129.01962	6.7
131.03506	0.7
131.06154	1.8
132.03044	2.9
133.02959	6.1
135.04543	1.4
136.04024	0.6
136.07738	0.5
138.02054	0.5
138.05605	1.6
143.03505	0.6
145.02959	8.3
146.03366	0.4
146.04617	1.2
147.03006	0.6
147.04596	0.5
149.02481	0.5
150.05637	0.9
157.01408	0.8
158.06087	0.6
160.01656	0.7
160.05296	0.8
161.02451	1.7
161.04572	2.7
161.05818	0.5
163.04022	8.8
164.04747	0.6
166.05150	0.7
167.05864	0.7
168.06728	0.5
171.10278	0.5
173.00894	0.8
175.02618	2.6
175.05205	1.0
175.07645	1.5
177.01936	1.6
179.06938	0.5
187.02504	2.0
187.07683	0.6
189.04086	0.5
189.11363	0.5
205.03529	6.2
210.04131	1.0
212.05620	2.2
218.05898	0.5
223.06174	0.5
231.05078	1.5
249.06143	16.1
250.06454	0.8
289.11829	0.5
291.10580	0.9
307.12976	1.2
308.11569	0.4
333.11795	2.0
334.12079	0.5
351.06979	3.7
351.12961	73.2
351.16174	3.2
351.20230	1.8
352.03809	0.5
352.13760	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	351.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.9
57.03439	2.4
59.01383	5.3
61.98825	3.9
69.03463	2.6
69.67001	4.7
71.01384	5.7
72.99311	14.1
74.43443	0.7
75.00877	3.7
80.96510	1.0
81.03463	15.0
83.01396	6.7
85.02958	19.9
85.03461	1.5
86.14049	0.8
87.00902	1.4
89.02489	0.8
94.06600	0.8
94.81833	0.8
95.01388	0.9
95.05025	0.7
96.96027	12.5
97.02985	1.6
98.19965	1.0
98.95597	6.4
98.96450	1.0
99.00885	12.0
101.02453	1.8
101.06092	2.8
103.66141	0.7
105.03505	0.9
109.02984	1.3
111.00894	20.4
113.02469	2.5
117.01980	2.8
117.03481	1.7
119.05035	12.4
120.01338	1.0
120.05388	0.7
121.03008	0.7
122.06120	1.6
125.02464	53.7
125.95242	0.8
126.02822	2.1
129.01991	1.8
131.03525	3.1
132.03049	0.9
133.02969	6.4
135.04500	1.3
138.05687	1.0
143.03499	5.2
145.02968	5.5
153.71056	0.9
159.03046	1.1
160.01636	2.2
161.02464	3.4
161.04584	3.1
163.04025	9.6
166.00288	0.7
166.05196	1.1
173.00945	1.3
175.04037	1.7
177.01947	1.9
187.02481	1.7
201.05766	1.0
203.12846	1.0
205.03542	100.0
206.03882	3.8
210.04274	0.8
226.07077	0.7
226.60439	0.7
237.21696	0.7
242.99728	1.2
251.38065	0.9
289.11798	0.9
307.12988	2.7
333.11221	0.8
351.06232	9.6
351.11740	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	351.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70971	0.6
55.01881	2.5
57.03449	12.0
59.01091	1.2
59.01379	18.4
61.98825	0.9
64.81388	0.6
67.01915	0.7
69.03457	1.8
71.01380	2.4
72.99298	1.0
73.02958	1.0
75.00879	1.3
79.95718	0.8
83.00980	0.7
83.01389	4.0
84.02177	3.1
85.02959	100.0
86.03294	2.2
87.00921	0.6
88.04015	0.8
93.03488	1.0
96.96025	16.6
99.00886	1.3
101.02431	0.8
102.00099	0.6
108.04572	1.4
108.52788	0.7
109.02999	1.3
111.00914	6.1
113.02469	1.4
115.00380	0.9
117.03487	8.7
119.05041	9.2
120.01252	0.6
121.02940	1.2
122.06172	0.9
125.02491	1.4
128.07220	0.7
129.01974	3.0
133.02963	4.0
135.04622	1.2
136.04100	0.7
138.05652	1.2
145.02971	41.7
146.03345	2.4
152.03592	1.1
157.01453	1.0
159.89377	0.7
161.02513	1.3
161.04556	3.2
163.04060	4.0
166.05110	0.9
167.06067	2.5
175.02594	1.2
177.01974	1.6
187.07640	2.6
190.05069	1.3
193.07686	0.8
197.15524	1.3
203.07126	1.3
204.06656	0.9
205.03560	18.4
231.06642	8.3
232.07001	0.8
235.08429	0.7
241.00270	0.7
241.14386	0.8
266.96512	0.8
271.10886	3.7
289.11826	1.6
307.12918	5.4
308.13605	0.9
312.56360	0.7
333.10809	0.9
351.06555	3.6
351.11505	8.4
351.18445	0.8
358.35382	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.7
57.03443	10.3
58.00587	1.4
59.01094	1.5
59.01378	23.3
61.98830	2.0
63.34074	0.8
66.35951	0.9
67.01893	2.0
68.99802	2.5
69.03441	3.6
71.01381	17.4
71.72240	1.0
72.99305	11.4
73.02928	2.2
75.00877	18.5
81.03461	20.7
83.01389	3.4
84.02189	1.3
85.02959	60.0
86.03342	1.0
87.00878	8.5
89.02462	3.0
93.03459	2.0
95.01379	5.8
96.96015	15.6
97.02989	4.4
98.95013	1.5
98.95599	15.7
98.96426	3.7
99.00887	17.3
101.02453	3.1
101.06089	100.0
102.05627	1.1
102.06413	2.4
103.00383	3.9
105.03517	1.1
111.00914	5.9
113.02458	20.2
115.00397	1.8
117.01954	2.4
117.03486	5.4
118.74726	0.9
119.05045	53.0
120.05345	3.1
122.06171	1.1
124.01672	2.3
125.02461	58.9
126.02822	2.1
128.03563	1.2
129.01939	3.8
130.22336	1.0
131.06096	1.8
132.03088	1.5
133.02953	3.2
138.05627	1.8
141.01950	0.9
143.03531	5.1
145.02962	28.8
146.03500	1.5
146.04614	2.6
147.02914	1.1
157.01387	1.2
159.02962	1.0
160.01648	1.5
161.02463	1.0
161.04576	11.2
163.04022	58.8
164.04398	3.5
175.02472	2.7
175.03894	1.3
175.05293	1.0
187.02481	14.9
187.07643	1.9
189.05495	1.2
205.03540	29.2
212.05612	1.7
213.51596	0.9
231.05014	1.4
242.99825	2.1
249.06126	17.3
250.06496	1.1
267.07352	1.4
291.10938	1.1
307.04468	1.1
307.12875	1.7
333.11819	3.4
351.06421	21.0
351.12903	81.7
352.06821	1.1
352.13654	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	351.0393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41483	0.5
59.01374	1.8
61.98832	1.4
70.23259	2.2
71.01385	0.9
73.02953	0.5
75.30594	0.4
79.95766	2.9
80.96522	1.8
83.01404	0.6
85.02961	2.0
87.00877	0.6
95.95238	0.7
96.96020	100.0
101.02448	1.7
108.10201	0.5
109.02962	0.8
111.00893	0.5
122.97633	0.8
138.97099	1.3
150.97087	0.7
152.98639	5.2
154.06216	2.2
161.04581	0.4
180.98116	3.3
218.41275	0.4
241.00229	26.9
242.00531	1.1
288.10034	0.9
351.03891	67.9
352.04233	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21695	0.8
54.82683	0.7
55.01875	3.8
57.03450	16.9
58.03794	0.9
59.01384	12.5
64.33521	0.8
67.01890	1.3
69.03441	1.4
70.77765	0.8
71.01382	9.2
72.99332	1.1
73.02948	2.5
75.00893	1.7
76.67731	0.8
79.95743	2.2
83.01400	10.7
84.02171	2.9
85.02959	100.0
86.03298	2.2
87.00874	1.4
96.96019	11.1
98.19837	1.8
99.00896	1.3
101.02448	6.1
111.00896	34.8
112.01242	1.2
113.02448	1.0
129.01964	47.6
130.02286	1.8
143.10800	12.7
161.04541	2.5
177.04083	0.9
187.02478	2.0
191.02010	1.4
205.03546	30.3
206.03894	1.2
211.13351	1.3
213.14932	1.0
223.04562	3.3
229.35162	0.9
275.10651	1.5
349.14935	4.6
349.19916	1.3
350.15982	2.2
372.61264	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.2
57.03182	0.8
57.03449	14.0
57.48169	0.4
58.00598	0.6
59.01376	11.1
60.10915	0.5
61.98824	0.9
67.01954	0.4
68.99811	1.2
69.39023	1.8
69.39452	3.6
69.67938	0.5
71.01385	4.5
71.73611	0.5
72.99324	1.5
73.02969	1.1
75.00872	1.9
79.95745	0.8
80.96557	0.6
83.01379	3.0
84.02184	2.6
85.02958	100.0
86.03284	2.3
87.00887	1.1
88.04019	0.7
92.46260	0.5
96.96025	11.1
99.00913	0.6
101.02465	1.0
101.80411	0.5
103.00373	1.8
103.00985	0.5
111.00882	4.5
113.02465	0.5
115.00426	0.9
117.58473	0.6
129.01955	13.4
130.02275	0.5
144.08551	0.4
147.03023	12.9
148.03268	0.6
157.12372	5.6
173.00940	3.1
191.01996	30.7
192.02301	1.1
196.42392	0.5
205.03468	0.7
206.03889	0.5
207.80489	0.5
211.38220	0.5
223.73335	0.5
225.15039	0.8
325.68283	0.5
327.12775	1.3
328.13150	0.5
331.13733	0.8
348.64960	0.9
349.13495	6.5
368.36847	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.9861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52882	0.3
59.01347	0.3
61.98829	100.0
62.98539	0.3
63.99254	1.0
70.47632	1.3
89.19147	0.3
99.86848	0.3
101.04102	0.4
160.52402	0.3
162.98428	1.5
203.18465	0.4
203.99934	0.9
205.00124	3.7
205.99748	5.9
206.97452	68.8
207.97565	6.1
207.99654	0.5
240.35715	0.3
260.37466	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0599
Annotation	CHEBI:75389
Peak:m/z	Relative Intensity
55.01876	0.4
59.01386	2.2
61.90287	0.3
67.92044	0.3
68.02384	0.4
70.21529	1.6
71.01394	2.7
72.99307	0.4
73.02943	0.9
78.26884	0.4
79.20375	0.4
79.95747	3.2
80.96529	2.4
83.01407	0.8
85.02964	1.4
87.00869	0.4
94.98115	0.4
95.95243	1.6
96.96025	87.2
101.02457	2.0
113.02420	0.6
122.97588	1.3
138.97084	1.7
150.97121	2.1
161.04420	0.4
164.98610	0.6
177.86070	0.3
180.98134	2.0
241.00278	4.5
334.77402	0.3
349.05997	100.0
350.06320	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	349.0601
Annotation	CHEBI:75389
Peak:m/z	Relative Intensity
57.03440	0.9
59.01371	2.1
69.03442	0.5
69.58738	0.8
69.59140	1.5
71.01398	2.0
72.99302	0.5
73.02926	0.7
79.95744	3.6
80.96521	2.2
83.01401	0.4
85.02960	5.7
87.00865	0.7
89.55760	0.3
95.95235	1.1
96.96020	100.0
97.95938	0.5
99.00878	0.4
101.02460	1.5
107.05029	0.5
113.02448	0.6
118.23485	0.3
122.97630	0.6
125.09720	0.7
125.13924	0.3
128.15440	0.3
138.97087	3.5
146.60437	0.3
147.02986	0.9
150.97084	1.3
152.98686	0.5
164.82378	0.4
164.98691	0.5
168.98123	0.5
169.08727	1.6
180.98160	1.9
191.01974	1.9
215.09084	0.4
222.99069	0.7
224.07834	0.6
225.00815	0.5
241.00232	12.1
289.80133	0.3
349.05978	78.6
350.06308	6.8
358.22543	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	18.1
57.12051	0.6
59.01367	2.8
60.49207	0.6
60.75339	0.5
69.03450	3.0
70.01511	3.1
71.01361	1.1
73.02946	2.3
79.95722	0.7
85.02961	3.8
87.00880	8.9
96.96022	4.4
98.03721	1.2
105.04998	0.6
109.06596	0.7
111.04544	0.7
111.08161	2.8
111.14642	0.6
122.06165	0.6
125.09742	17.9
126.10108	0.8
127.07705	3.2
130.87279	0.7
149.15384	0.6
153.09251	7.9
153.77263	0.6
169.08690	1.1
171.10294	42.1
172.10620	3.3
197.08269	1.2
199.09749	3.7
199.65007	0.6
215.09250	100.0
216.09599	6.0
268.25238	0.7
305.07181	0.6
346.58563	1.1
347.08591	3.1
347.13464	21.4
347.17764	1.3
347.59134	0.7
348.13879	2.4
357.93857	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	6.2
60.01709	0.5
60.12106	0.2
61.98831	100.0
63.89979	0.1
64.07267	0.1
70.15620	0.8
80.21539	0.1
107.47990	0.1
119.21349	0.1
195.96986	0.2
201.02611	1.1
202.02716	2.5
203.02286	2.8
204.00003	49.1
205.00142	4.8
346.00876	1.2
347.01190	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.7
59.01378	2.2
61.55995	1.3
62.16048	1.1
63.10735	1.1
68.99809	1.3
70.06218	2.7
70.06625	3.9
71.51424	1.2
73.02974	1.2
74.02570	1.2
84.04519	1.8
85.02928	3.0
91.69926	1.1
94.06602	1.7
95.05061	5.9
96.04563	1.3
96.96017	12.3
97.01717	1.1
107.03774	2.4
108.04541	1.9
110.06129	78.3
111.06472	2.8
116.05079	18.6
116.92908	1.3
118.06657	8.8
122.06132	88.2
123.06502	4.4
125.09746	2.1
132.04604	1.4
134.06152	1.8
144.04572	66.6
145.04968	4.2
146.06136	2.3
147.03191	2.5
147.69327	1.0
162.05618	60.3
163.06349	5.6
164.03606	1.2
166.05093	1.7
169.74399	1.1
171.10298	3.0
177.04286	1.2
188.03566	10.2
189.03874	1.4
195.05360	3.6
199.09839	1.1
215.09250	8.2
215.11963	1.4
251.10823	1.2
255.11369	16.6
256.11649	1.9
267.11368	50.4
268.11636	4.7
273.12454	14.8
285.12436	100.0
286.12796	12.2
303.13486	22.1
304.13638	3.2
347.08905	8.6
347.12213	5.6
347.59122	5.8
348.09344	1.9
361.21594	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	347.1252
Annotation	Achillamide
Peak:m/z	Relative Intensity
55.01872	1.1
57.03442	3.3
59.01382	6.1
59.05006	0.8
59.28346	0.6
61.98819	1.5
70.44763	0.7
71.01379	2.8
71.73328	1.2
73.02940	1.0
79.95768	0.9
81.03457	2.7
85.02962	16.7
86.03324	0.9
96.96030	5.8
99.00890	0.9
108.04571	1.9
111.00880	2.4
113.02459	0.8
115.00392	1.0
121.05351	21.6
124.41531	0.7
125.02481	1.9
129.01953	2.6
134.06151	4.6
136.07701	36.5
137.08008	1.1
137.76677	0.7
138.05629	1.3
140.07202	2.3
147.03050	2.0
149.04851	1.0
151.07643	1.3
153.04301	1.1
162.05595	4.8
164.07166	8.1
172.07755	0.9
180.06676	22.4
181.07021	1.6
186.09294	4.4
190.05209	1.3
191.01935	4.5
200.10831	2.1
201.11655	1.7
208.06078	0.8
214.12378	2.8
215.09401	1.3
216.13910	16.2
216.15869	1.4
217.14339	1.8
227.08400	1.2
228.08966	1.5
232.09749	1.6
232.13394	2.1
242.11925	2.4
252.09032	1.0
255.07736	2.8
256.08401	1.9
257.12943	5.4
260.12915	5.8
267.11316	1.1
269.09137	1.3
270.09970	3.6
276.12299	1.2
283.10895	2.7
285.12445	25.6
286.10773	2.9
286.13235	1.5
295.07321	0.8
303.13522	3.3
304.11908	7.7
305.12115	1.4
311.10406	10.6
312.10693	1.2
329.11432	31.7
330.11716	3.2
332.35376	0.8
347.12479	100.0
348.12799	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1555
Annotation	Jasminoside G
Peak:m/z	Relative Intensity
51.21289	1.7
55.01887	1.4
57.03455	3.5
58.00584	3.5
59.01379	100.0
61.73360	1.3
61.92264	1.2
69.03459	2.1
69.79704	10.6
71.01384	31.2
72.99319	6.4
73.02953	12.6
75.00864	7.2
79.95764	6.9
83.01404	4.3
83.05051	2.0
85.02962	24.8
87.00888	5.8
88.01225	1.3
89.02451	18.4
95.95249	5.2
96.96017	35.2
96.96594	2.3
98.04517	1.6
98.95600	6.3
99.00889	3.5
99.04574	1.7
101.02449	17.6
103.04029	12.8
113.02467	4.7
119.03516	5.3
119.08681	54.2
120.09035	2.3
127.04088	2.1
134.09798	1.4
151.77509	1.5
161.09705	1.9
163.06267	1.9
163.07651	38.3
164.08031	2.1
165.05608	1.9
165.09232	2.8
173.40019	1.2
174.92586	1.3
176.03635	1.5
177.04155	1.8
181.08774	2.0
183.10257	7.6
185.09677	1.6
197.11835	3.6
205.03632	2.2
212.64322	1.4
220.06773	23.0
220.56987	6.4
221.06728	1.9
241.00398	2.2
241.14595	1.5
256.99692	4.1
257.15350	2.1
301.12170	2.4
315.14700	2.1
327.07593	1.9
327.14496	52.9
328.14902	4.1
330.44949	1.4
345.10477	29.6
345.15512	46.6
345.60397	5.5
346.07852	1.7
346.11215	2.2
346.15814	5.0
351.90695	1.4
361.18625	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.8
57.03454	2.9
59.01380	3.9
66.01729	0.5
69.03483	0.5
69.38174	1.5
69.38595	4.7
71.01378	2.0
72.07493	0.6
72.99300	0.7
73.02938	0.8
75.00880	0.6
76.81486	0.5
79.95741	1.1
83.01399	0.5
84.02145	0.8
84.04586	0.5
85.02956	21.7
87.00874	0.7
96.96017	5.9
99.00905	1.5
111.00871	0.8
116.05106	0.9
117.20422	0.5
118.06673	0.9
119.03790	1.2
120.04582	0.8
122.06139	1.5
122.62766	0.6
123.03209	0.7
124.07681	1.7
129.01952	2.4
131.03758	1.3
132.04539	2.5
138.05557	0.6
144.04552	3.7
145.05351	12.1
146.06131	5.5
147.03108	2.9
148.04036	3.3
152.03487	1.3
153.09238	0.7
159.03291	3.4
160.04051	52.5
161.04843	24.4
162.05576	2.4
164.03543	1.9
175.02693	1.6
176.03542	11.4
177.04326	7.2
178.04924	0.8
188.03522	3.6
189.04327	58.7
190.04761	4.5
190.85623	0.5
191.02051	6.1
192.03024	4.8
193.03810	18.2
194.04247	0.7
200.03166	0.6
203.05872	2.0
220.06175	0.7
221.03386	13.9
221.06902	26.3
222.03545	0.8
222.07367	2.2
224.05457	0.7
245.12950	6.2
253.05927	7.5
269.12936	21.8
270.13245	2.1
283.61118	0.6
285.12494	2.8
313.08090	0.6
313.11938	40.0
314.12256	4.4
345.14542	100.0
345.22275	2.6
346.10919	1.0
346.14899	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	345.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21289	1.7
55.01887	1.4
57.03455	3.5
58.00584	3.5
59.01379	100.0
61.73360	1.3
61.92264	1.2
69.03459	2.1
69.79704	10.6
71.01384	31.2
72.99319	6.4
73.02953	12.6
75.00864	7.2
79.95764	6.9
83.01404	4.3
83.05051	2.0
85.02962	24.8
87.00888	5.8
88.01225	1.3
89.02451	18.4
95.95249	5.2
96.96017	35.2
96.96594	2.3
98.04517	1.6
98.95600	6.3
99.00889	3.5
99.04574	1.7
101.02449	17.6
103.04029	12.8
113.02467	4.7
119.03516	5.3
119.08681	54.2
120.09035	2.3
127.04088	2.1
134.09798	1.4
151.77509	1.5
161.09705	1.9
163.06267	1.9
163.07651	38.3
164.08031	2.1
165.05608	1.9
165.09232	2.8
173.40019	1.2
174.92586	1.3
176.03635	1.5
177.04155	1.8
181.08774	2.0
183.10257	7.6
185.09677	1.6
197.11835	3.6
205.03632	2.2
212.64322	1.4
220.06773	23.0
220.56987	6.4
221.06728	1.9
241.00398	2.2
241.14595	1.5
256.99692	4.1
257.15350	2.1
301.12170	2.4
315.14700	2.1
327.07593	1.9
327.14496	52.9
328.14902	4.1
330.44949	1.4
345.10477	29.6
345.15512	46.6
345.60397	5.5
346.07852	1.7
346.11215	2.2
346.15814	5.0
351.90695	1.4
361.18625	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.086
Annotation	SSR128129E
Peak:m/z	Relative Intensity
55.01870	0.6
57.03457	0.4
59.01142	0.3
59.01380	3.4
61.82030	0.3
71.01381	2.1
71.05025	1.4
71.41293	0.7
72.99299	0.5
73.02949	0.9
78.95908	0.6
79.95750	1.8
80.96539	1.6
83.01399	0.7
85.02940	1.5
87.00871	0.5
89.02444	0.4
95.05038	0.5
95.95262	0.5
96.96020	66.2
97.02946	1.9
98.95593	1.0
99.00836	0.3
101.02454	1.4
113.02465	0.9
120.01221	0.4
122.97603	0.9
123.00912	0.5
123.04547	1.0
124.01663	0.7
130.08643	0.3
134.33232	0.3
135.04456	0.4
138.03304	0.3
138.97099	1.5
139.04028	16.0
140.04340	0.6
150.97067	1.4
152.98726	0.3
155.10873	0.3
163.04010	0.5
163.99507	0.3
164.98633	0.8
166.99861	0.5
180.98137	1.2
183.03006	1.0
183.06493	0.3
198.99132	0.7
211.00182	0.8
213.05188	0.3
241.00241	3.7
259.01334	0.7
345.08600	100.0
346.08871	8.8
346.15363	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0861
Annotation	SSR128129E
Peak:m/z	Relative Intensity
55.01885	0.3
55.46029	0.3
57.03433	0.5
59.01380	1.9
69.93147	1.9
71.01387	2.5
73.02942	0.6
75.32074	0.3
79.95758	1.8
80.96523	1.2
83.01403	0.5
85.02950	1.6
95.95259	0.3
96.96020	69.9
97.84412	0.3
101.02451	1.7
112.04067	0.6
113.02445	0.7
122.97601	1.3
138.97086	1.7
139.04033	0.3
140.02371	0.3
150.97055	1.4
166.05087	1.2
180.98155	1.4
182.08243	0.4
183.02980	0.6
241.00211	4.6
251.88994	0.3
303.69067	0.3
345.08600	100.0
346.08759	8.5
346.15491	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46682	0.2
57.03445	1.9
59.01378	23.9
61.98805	1.1
67.02473	0.2
69.03442	0.8
69.58554	1.6
69.58961	0.8
71.01356	1.0
71.05005	0.6
72.99319	0.5
73.02935	0.3
73.07245	0.3
83.05002	0.5
84.02171	0.3
85.02960	0.5
91.22736	0.2
93.03394	0.3
95.04979	0.3
96.96015	1.6
97.06606	3.7
98.20650	0.6
107.05016	0.4
109.06588	0.4
111.08160	0.6
113.09711	0.8
116.09914	0.3
125.06085	0.5
127.11256	0.8
129.09160	0.6
135.11803	0.4
137.09723	0.3
143.07133	0.5
143.10735	0.6
155.10759	1.1
157.11151	0.5
157.12355	6.4
158.12645	0.3
171.10081	0.3
177.16496	1.7
203.14174	0.3
211.63220	0.3
219.17511	0.4
221.19182	0.4
237.18539	3.0
263.73672	0.3
283.19153	20.2
284.19479	2.1
299.18561	0.3
301.20193	100.0
302.20541	10.8
343.07346	0.6
343.21259	17.8
344.21521	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	343.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.9
59.01377	26.3
59.77575	0.3
60.01714	0.5
61.98814	0.6
65.74077	0.2
66.91718	0.2
69.03438	1.0
70.51891	0.2
71.01366	0.6
71.05024	2.9
72.99265	0.5
76.68996	0.2
83.05024	0.5
85.02929	1.1
85.06599	3.2
95.05042	0.3
95.94386	0.3
96.96022	2.8
97.06600	2.6
98.19929	0.6
111.04452	0.3
111.08122	0.5
113.09733	0.5
115.07661	11.0
116.07935	0.3
121.10284	0.3
125.06145	0.3
125.09686	0.4
127.11276	0.6
129.09193	0.7
131.43454	0.3
135.11824	0.3
135.32935	0.3
139.11287	2.0
143.10786	0.3
155.10785	0.5
157.12352	3.7
163.14932	1.1
171.10303	0.5
177.16493	0.3
181.16025	0.4
183.13782	0.3
185.85202	0.3
195.24518	0.3
206.57852	0.3
208.58575	0.3
211.44841	0.3
237.18475	1.6
239.12862	0.6
255.19577	0.6
266.31128	0.3
277.11838	0.3
283.19138	19.7
284.19470	1.8
301.20187	100.0
302.20529	11.9
313.03555	0.7
343.07822	0.9
343.12311	0.9
343.21243	24.8
344.21555	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	343.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11008	0.2
52.35986	0.2
55.01867	0.3
59.01385	2.5
71.01388	1.7
71.72960	0.4
72.99299	0.5
73.02955	0.8
74.52250	0.2
75.00894	0.3
78.95902	0.3
79.95734	1.9
80.96523	1.3
83.01389	0.7
85.02957	1.3
87.00921	0.2
95.95260	0.6
96.96021	69.2
97.95963	0.3
99.00893	0.2
101.02442	1.5
113.02443	0.5
120.01266	0.2
121.02979	0.2
122.97575	1.0
129.23837	0.2
134.04750	0.3
138.97086	1.6
139.57048	0.2
150.03271	0.4
150.97093	1.4
160.04068	0.2
164.98595	0.4
180.98140	0.9
198.99202	0.6
205.50439	0.3
241.00258	2.9
312.06149	0.2
343.10681	100.0
344.11026	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	343.107
Annotation	CHEMBL460255
Peak:m/z	Relative Intensity
50.20376	0.2
55.01872	0.2
59.01375	1.6
60.43064	0.2
69.87897	1.6
71.01396	1.2
72.99290	0.2
73.02943	0.6
75.19575	0.2
79.95746	1.7
80.96530	1.1
83.01382	0.3
85.02956	0.9
89.48472	0.2
95.95248	0.4
96.96021	60.2
101.02467	1.6
101.87698	0.2
113.02454	0.4
122.97594	0.7
138.97089	1.3
150.97069	1.3
164.98642	0.4
180.98126	0.8
181.05087	0.3
189.10873	0.2
198.99168	0.6
234.61873	0.2
241.00204	2.9
343.10684	100.0
344.11005	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	341.2697
Annotation	MEDICA 16
Peak:m/z	Relative Intensity
59.01361	1.4
61.98833	0.8
69.84997	2.3
71.01375	0.9
81.31822	0.3
83.09279	0.4
84.42551	0.4
87.00874	0.5
89.02415	1.1
101.02411	0.7
101.42000	0.4
113.68876	0.4
152.01161	0.4
179.05630	0.4
181.34424	0.4
186.83313	0.4
208.79486	0.3
261.00766	0.7
271.18527	0.4
277.25333	1.1
278.65033	0.4
279.26910	65.2
280.27277	6.7
297.27853	1.8
323.25894	20.1
324.26263	2.4
341.26965	100.0
342.27304	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	343.0374
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	76.2
60.01715	0.9
60.24322	0.2
61.98847	0.4
67.81611	0.2
69.98178	1.3
71.92231	0.2
95.01833	0.2
96.00027	0.2
98.20622	0.2
113.04649	0.3
115.02522	0.4
117.00473	0.2
156.90933	0.3
157.03586	5.0
158.03761	0.5
159.01505	3.5
198.91994	0.2
201.02562	100.0
201.89326	0.3
202.02710	9.6
205.92883	0.2
209.10925	0.2
303.13071	0.2
343.03754	3.6
344.03818	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.5
59.01377	4.4
61.98825	0.7
69.92411	1.6
71.01384	4.0
71.05003	0.5
72.99320	0.6
73.02948	0.9
73.71375	0.2
75.00872	0.9
79.95735	2.7
80.96541	1.8
83.01429	0.3
83.05055	0.3
85.02947	2.9
87.00893	0.4
89.02456	2.2
95.95236	2.3
96.96019	79.1
97.02928	0.3
97.95937	0.5
99.00859	0.3
101.02448	2.2
101.06088	0.6
113.02477	1.0
119.03542	0.8
119.05057	0.3
122.97588	1.0
129.01950	0.5
133.01521	0.4
135.70618	0.3
138.97067	1.2
149.04562	0.5
150.04282	1.2
150.63734	0.3
150.97060	1.7
152.98602	0.3
164.03568	0.5
164.98642	0.8
168.98058	0.4
177.04056	5.3
180.98116	1.3
181.05205	0.3
194.99710	0.5
198.99098	0.3
199.47717	0.2
213.00764	0.9
213.24429	0.3
241.00214	3.1
249.38211	0.3
256.99710	3.3
283.60297	0.2
343.07031	100.0
344.07260	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	343.1069
Annotation	CHEMBL460255
Peak:m/z	Relative Intensity
55.01896	0.3
57.03444	0.3
59.01377	2.8
61.98818	0.3
69.03444	0.2
71.01389	1.6
72.99310	0.3
73.02940	0.9
75.00882	0.2
79.95747	2.0
80.96515	1.7
83.01399	0.6
85.02963	1.1
87.00884	0.3
93.03491	0.2
95.95236	0.3
96.96021	74.9
97.95958	0.3
99.00887	0.3
101.02458	1.6
113.02460	0.5
120.99676	0.6
121.02934	0.6
122.97604	1.3
126.36418	0.2
137.02448	0.2
138.97096	2.0
150.03259	0.4
150.97112	1.3
164.98630	0.5
180.98129	1.2
198.99142	0.6
222.99179	0.3
241.00214	3.2
250.97769	0.2
256.99655	0.3
342.60248	0.4
343.10684	100.0
344.10919	7.8
344.17261	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60453	0.4
56.14354	0.5
59.01379	3.5
61.98826	0.6
69.03460	1.9
70.30154	1.5
71.01378	1.8
83.05033	1.3
84.02172	8.1
85.02942	0.5
89.02445	1.8
95.05027	0.7
97.02952	2.3
97.06602	8.9
98.19978	0.6
99.04536	2.2
101.02462	0.9
113.02499	0.5
119.03527	0.8
119.08661	1.3
125.09744	1.1
127.11288	0.4
130.08742	0.8
131.03661	0.5
135.08154	0.9
137.09732	1.0
149.13379	0.7
161.04584	0.4
161.09810	0.4
165.12885	1.0
170.63425	0.5
171.10280	21.7
172.10655	1.1
175.11263	0.7
179.05580	0.8
183.13951	0.8
185.11742	0.8
193.12349	13.4
194.12685	1.0
197.15396	0.8
209.11865	1.1
211.13454	2.4
223.16869	0.6
225.12711	1.0
225.14957	17.1
226.15274	1.4
243.15999	6.6
245.32637	0.4
253.14528	1.2
273.18704	0.5
279.89218	0.5
291.19772	2.0
323.21814	0.7
341.11053	1.4
341.23337	100.0
342.23691	13.7
342.27820	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38503	2.3
55.38041	2.5
57.03442	25.2
59.01107	3.4
59.01382	59.1
61.98853	3.1
65.44000	2.1
65.46088	2.0
69.03454	4.4
69.41174	21.6
71.01379	29.0
72.99302	4.6
73.02940	11.3
75.00864	2.6
78.95895	3.1
79.95702	4.5
83.01389	5.4
85.02953	46.5
86.03296	2.8
87.00885	4.0
89.02463	16.3
95.01389	2.6
96.96020	86.3
96.96970	8.0
98.95569	2.0
99.00837	2.5
100.75053	2.7
101.02447	19.9
109.06581	9.6
111.00900	12.1
111.04494	2.7
112.54799	2.3
113.02425	9.3
119.03501	3.8
119.05032	2.4
120.01314	4.6
123.03274	4.1
124.38641	2.2
129.01967	12.2
133.02968	4.4
134.03761	17.8
135.04553	15.2
135.08182	12.2
137.09712	10.0
138.05626	49.1
147.02951	2.1
149.09706	5.6
153.09215	3.5
161.04549	4.3
163.04005	2.6
163.11232	5.0
165.02191	3.5
167.10687	7.6
177.09230	20.6
178.09525	2.4
179.03526	13.5
179.05573	5.2
191.03508	4.4
191.10725	3.1
193.05135	11.4
193.12334	58.6
194.12576	2.8
205.03580	11.8
209.04501	3.7
211.13449	17.8
217.12343	3.9
220.22072	2.3
223.04541	28.9
235.13469	12.2
237.10617	2.1
241.00174	4.0
253.14206	3.2
255.12363	4.7
261.24066	2.3
268.10385	2.1
308.16800	2.4
341.09042	100.0
342.08725	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	341.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	8.2
57.36403	1.2
59.01376	47.2
61.98828	2.2
66.43610	1.2
67.01874	1.8
69.03448	5.0
71.01389	20.2
71.05026	27.9
71.73180	2.2
72.99291	1.8
73.02955	3.3
75.00880	2.9
78.13415	1.4
79.95731	3.2
81.03460	30.8
83.01389	2.2
83.05025	21.3
84.02171	2.1
85.02949	11.0
87.00853	2.4
87.04520	1.7
89.02455	19.4
93.03471	2.5
95.01392	3.1
95.05036	15.3
95.95230	3.7
96.95448	2.7
96.96021	31.1
97.02951	7.2
97.06577	4.3
98.20062	1.9
99.00901	1.5
99.04526	37.9
100.04848	1.9
101.02466	9.9
101.06083	7.9
106.04238	1.6
107.05071	2.9
108.02172	1.6
109.02932	4.5
109.06589	8.0
111.04532	6.7
111.08170	1.7
113.02478	6.6
113.06098	2.1
119.03484	6.6
121.06609	3.4
122.03716	1.7
123.04530	2.7
123.08157	3.7
125.09727	2.5
126.93745	1.4
131.03517	1.5
133.06581	3.7
135.08237	1.9
136.05276	1.7
137.02530	1.6
137.06024	1.9
139.04234	1.3
139.11261	2.6
145.64464	1.3
149.09721	2.0
151.07661	15.2
153.09193	3.9
155.10793	2.0
161.04578	3.3
165.09180	2.1
165.12827	2.8
171.10280	37.1
172.10580	1.8
177.12866	1.8
179.05652	9.5
185.11806	2.8
189.12871	4.7
191.14415	5.4
193.12340	15.8
199.13339	3.9
205.15941	2.5
207.13907	2.2
209.11751	2.3
211.13425	5.1
221.11826	5.2
225.14835	1.6
233.11813	2.6
235.13379	37.8
236.13731	2.2
237.14957	3.1
239.12907	8.9
243.17596	6.7
249.14830	3.9
253.14439	100.0
254.14786	8.9
275.10522	21.0
275.60623	5.0
276.10794	1.8
281.17422	1.9
287.16507	25.5
288.16742	3.7
299.18704	3.0
305.17554	20.1
306.17996	2.6
323.18689	10.2
324.18845	2.1
341.10938	12.4
341.19711	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	341.1089
Annotation	alpha,alpha-Trehalose
Peak:m/z	Relative Intensity
57.03448	1.8
58.00591	3.4
59.01377	95.5
60.01709	1.4
70.80844	2.0
71.01385	69.0
72.01730	1.0
72.99301	2.7
73.02948	5.0
75.00877	0.7
83.01398	2.6
85.02961	10.8
87.00887	5.8
89.02451	100.0
90.02783	2.2
90.56018	0.7
95.01396	4.0
101.02453	30.9
102.02753	0.9
103.04017	0.9
107.03494	1.0
113.02460	25.3
119.03519	29.3
120.03888	1.0
125.02492	1.0
131.03510	9.2
134.03711	0.7
143.03517	8.4
149.04572	79.6
150.04889	2.0
161.04565	10.3
179.05632	34.0
180.05943	1.1
189.01752	0.7
193.05154	0.8
197.03366	0.7
207.49092	0.9
300.77744	0.7
341.10889	50.1
342.11234	5.1
347.36417	0.6
355.19269	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41727	0.4
54.94609	0.4
55.01875	1.3
57.03450	3.6
58.00603	0.4
59.01378	15.9
61.98812	0.4
68.99821	14.6
69.03471	2.0
71.01385	7.8
71.05001	0.4
71.73026	0.5
72.99313	1.4
73.02957	1.9
75.00877	1.4
79.95741	3.7
80.96515	1.9
83.01392	2.1
85.02958	10.8
86.03283	0.7
87.00893	1.5
89.02454	4.6
93.03423	0.6
95.01392	0.9
95.95273	1.7
96.96024	86.5
96.99324	13.8
98.95612	0.8
99.00885	1.8
101.02460	4.6
107.05017	0.5
109.02961	0.4
111.00881	2.5
111.08187	0.8
113.02457	3.1
115.00388	7.8
119.03516	1.7
120.01266	0.5
121.06620	1.8
122.97636	0.8
123.08186	0.5
125.02466	0.5
125.06094	0.7
129.01959	2.7
131.03514	0.5
134.03773	2.9
134.35579	0.4
138.05602	0.4
138.97089	1.5
139.07703	0.8
139.11314	1.9
143.03464	0.4
147.02953	0.5
149.02432	0.5
149.06165	0.5
150.97070	1.5
161.04543	1.1
165.04053	1.1
175.02501	7.7
179.05582	1.1
179.07069	0.6
180.98126	1.3
183.10275	4.6
193.05040	3.6
198.03645	0.6
205.03491	2.6
209.11818	0.5
223.04576	5.7
224.04903	0.5
225.00801	0.6
237.11269	0.9
241.00177	3.9
268.10507	1.5
281.10226	1.7
289.93005	0.4
299.11276	0.7
341.09021	100.0
341.12494	18.7
342.09338	10.7
342.12885	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	341.109
Annotation	Sucrose
Peak:m/z	Relative Intensity
55.01873	1.0
57.03448	2.0
58.00588	3.5
59.01381	100.0
60.01713	1.4
70.47633	1.6
70.47984	0.5
71.01389	72.0
72.01727	1.4
72.99313	3.5
73.02951	2.9
75.00885	0.4
81.20342	0.4
83.01392	1.7
85.02960	10.5
86.03289	0.4
87.00882	4.3
89.02455	86.0
90.02802	1.4
91.02286	0.4
95.01407	3.7
99.00893	1.0
101.02462	31.8
102.02813	0.9
107.03488	0.7
107.98902	0.5
113.02465	26.9
114.02744	0.6
119.03522	30.2
120.03853	0.8
125.02476	0.7
131.03517	5.0
133.01535	0.4
140.43799	0.4
143.03523	8.9
149.04582	4.6
161.04581	11.0
179.05638	37.0
179.53195	0.4
180.06032	1.8
184.39917	0.4
197.27051	0.4
281.08841	0.4
337.58298	0.5
341.10910	54.5
342.11295	5.1
345.93610	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1088
Annotation	alpha,alpha-Trehalose
Peak:m/z	Relative Intensity
52.36675	0.6
55.01863	1.2
57.03450	1.1
58.00583	2.9
59.01377	92.0
60.01706	1.1
61.40785	0.8
70.80972	2.2
71.01385	68.5
72.01719	1.4
72.99297	3.5
73.02947	5.1
75.00873	0.8
78.95916	0.8
83.01387	2.9
84.02210	0.7
85.02957	10.4
87.00420	0.8
87.00861	5.2
89.02450	100.0
90.02788	1.7
95.01396	4.6
96.96002	1.7
96.96948	1.0
98.47268	0.8
99.00912	1.5
101.02449	31.9
102.02816	1.2
103.04027	1.6
107.03497	0.9
113.02460	24.0
114.76724	0.7
117.31939	0.6
119.03514	26.6
120.03871	0.7
124.94293	0.8
125.02440	0.8
129.01955	1.2
131.03528	9.9
134.03767	2.5
135.04593	1.2
143.03503	7.6
149.04570	85.7
150.04935	2.3
161.04564	10.2
165.04059	1.6
179.05618	35.6
180.06073	0.7
193.05069	3.0
211.06207	1.0
341.10944	50.7
342.11237	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21734	0.3
51.12768	0.3
59.01377	2.2
66.72253	0.2
70.72132	0.5
70.72530	0.7
71.01391	1.4
73.02939	0.7
78.28217	0.3
79.95738	1.2
80.96523	1.2
83.01380	0.6
85.02959	1.3
85.78107	0.3
89.02405	0.3
95.01415	0.3
96.96018	50.8
101.02451	1.4
113.02464	0.7
122.97561	0.8
132.06509	0.3
134.03757	2.1
138.97069	1.7
150.97076	1.1
180.98138	0.5
181.05702	0.2
193.05055	3.1
198.99213	0.7
202.04259	0.3
241.00218	2.7
274.84491	0.3
339.13962	0.3
341.09113	100.0
342.09448	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	341.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18742	0.3
51.33886	0.3
57.03442	0.3
59.01101	0.4
59.01384	5.5
68.99784	0.3
69.70661	1.1
69.71074	1.1
71.01382	3.6
72.99321	0.5
73.02944	0.4
75.00884	0.4
79.95744	2.9
80.96537	1.5
83.45679	0.3
85.02970	1.9
87.00297	0.3
87.00872	0.6
89.02435	1.9
95.01426	0.4
95.94740	0.3
95.95258	1.8
96.96024	83.8
101.02482	2.1
113.02474	1.2
119.03558	0.4
122.97582	0.8
138.05612	0.5
138.97092	1.6
143.03516	0.3
144.30576	0.3
150.97083	1.2
164.98593	0.8
179.03485	0.3
180.98097	1.0
198.99245	0.4
225.00839	0.4
241.00293	3.2
248.91528	0.3
268.10507	0.5
303.20615	0.3
340.55637	0.4
341.09119	100.0
342.09381	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	341.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25205	0.4
59.01379	9.0
61.98832	0.5
63.65496	0.4
68.99822	0.8
69.30088	0.4
71.01386	6.1
71.18397	0.8
71.18716	0.7
72.99312	0.9
73.02952	1.4
75.00872	0.7
77.31731	0.4
79.95739	3.5
80.96539	2.2
83.01372	0.6
85.02950	3.1
87.00881	0.8
89.02452	3.1
95.01442	0.5
95.95252	1.5
96.96018	80.3
96.99353	0.9
97.95946	0.6
99.00886	0.8
99.04543	0.4
101.02442	3.2
106.85052	0.4
112.43145	0.4
113.02451	1.2
115.00382	0.6
120.01240	0.5
122.97609	1.5
135.04491	0.4
138.05655	3.7
138.97069	1.4
143.03522	0.5
150.97089	1.3
161.04576	0.5
164.98621	0.6
175.02528	0.5
179.05611	0.6
180.98210	0.6
182.73364	0.4
193.05148	0.6
241.00197	3.4
268.10599	2.0
340.55484	1.1
341.09100	100.0
342.09335	8.4
342.12924	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90831	0.5
55.01888	0.5
57.03437	1.0
59.01378	9.7
61.98186	0.4
61.98822	1.0
69.03461	3.7
71.01389	7.7
71.72499	0.6
72.99317	1.1
73.02950	1.2
74.99104	0.6
75.00869	0.9
79.07397	0.4
79.95746	4.7
80.96523	1.3
83.01400	1.2
85.02958	6.3
86.03286	0.9
87.00864	1.2
87.03387	0.8
89.02457	5.8
93.03472	0.8
95.01382	0.4
95.95242	1.0
96.96022	68.6
97.02946	1.0
98.95583	1.5
99.00915	2.5
101.02457	4.2
109.02972	0.9
111.00877	0.5
113.02460	2.4
117.03459	1.8
119.03506	1.8
119.05038	0.8
120.01247	1.5
122.97616	0.8
123.03241	0.6
125.90886	0.4
129.01959	0.9
131.03505	0.6
133.02953	1.0
134.03760	13.0
135.04393	0.6
137.02437	0.7
138.05615	2.4
138.97084	1.8
145.02980	0.8
146.03737	1.2
147.02977	1.7
147.04549	3.3
149.02455	0.6
149.06105	1.7
150.97072	1.4
161.02480	0.5
161.04544	0.8
165.04050	0.8
174.01477	0.4
177.01949	0.5
177.03981	0.8
177.05539	0.5
178.02754	0.7
178.08740	0.6
179.05669	2.2
179.09109	0.6
180.98093	1.1
185.00954	2.1
191.01906	0.7
191.03444	0.5
193.05078	15.8
194.05350	1.1
198.99126	0.7
205.03456	0.4
208.13493	0.4
215.12776	0.7
238.06343	0.6
238.29478	0.4
241.00217	3.8
251.07050	0.8
253.02760	0.4
253.08772	2.9
268.10492	0.5
285.02704	0.5
297.08163	0.5
319.44629	0.5
320.21802	0.4
340.55301	0.5
341.09073	100.0
342.09225	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	341.0883
Annotation	Caffeic acid 3-glucoside
Peak:m/z	Relative Intensity
51.19691	0.7
55.01877	1.8
57.03456	6.4
57.86883	0.6
59.01379	27.0
61.98839	1.2
64.31455	0.6
69.46832	1.7
69.47250	5.6
71.01379	10.9
72.99313	1.6
73.02942	3.3
75.00887	1.2
78.95903	4.2
79.95740	2.4
80.96532	1.2
83.01400	4.2
84.02189	1.0
85.02958	32.6
86.03298	1.1
87.00874	1.8
89.02446	6.0
93.97517	0.7
95.95213	0.8
96.96023	64.1
96.96942	8.0
97.06592	0.7
98.95609	1.5
99.00914	1.7
101.02439	7.1
111.00883	9.2
113.02461	3.3
117.03487	0.9
117.92117	0.8
119.03526	2.1
120.01255	2.0
121.02971	1.0
129.01952	9.4
130.02399	0.7
131.03601	1.0
133.02988	1.5
134.03751	10.2
135.04544	32.5
136.04863	1.8
147.03015	1.9
147.04475	1.2
149.02347	0.9
150.97061	1.1
161.04549	1.8
165.02258	2.9
178.02692	0.9
179.03511	31.0
179.05412	1.9
180.03850	1.5
180.98119	1.0
183.88626	0.9
187.02525	0.9
193.05083	10.6
205.03548	11.8
209.04581	1.3
223.04575	27.1
224.04903	1.1
241.00227	3.3
253.08591	1.0
276.80652	0.7
341.09076	100.0
342.09308	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	341.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.6
56.28088	0.5
56.60165	0.5
57.03456	1.9
59.01378	14.4
61.98840	1.2
68.99835	0.6
69.03461	0.8
71.01389	11.3
71.72549	0.8
72.99319	1.1
73.02962	1.3
75.00890	1.3
79.95760	1.7
80.96522	0.8
83.01379	1.4
85.02960	6.2
85.70451	0.6
86.03289	0.7
87.00899	2.5
87.03394	0.5
89.02463	7.0
89.03992	2.4
93.03467	0.8
95.95233	0.9
96.96021	49.6
98.95596	0.7
99.00894	5.2
99.66789	0.5
101.02453	5.6
105.01987	0.9
108.93710	0.5
113.02470	2.6
115.04102	0.6
117.03481	7.0
119.03493	2.5
119.04998	1.1
120.01286	2.0
121.03020	1.2
122.97623	0.6
129.01993	1.2
131.03621	0.8
133.02963	1.0
134.03757	93.8
135.04070	4.3
136.05318	1.2
137.02473	2.2
138.05614	0.6
138.97076	1.2
143.03543	0.5
147.03024	7.5
147.04375	1.1
149.06108	8.1
150.97118	0.7
161.04524	0.7
164.04742	0.6
165.04039	5.4
177.04068	1.7
178.02744	4.7
178.08662	0.6
179.05612	2.7
179.07170	2.3
193.05072	100.0
194.05429	6.2
217.07126	1.5
241.00287	2.0
253.08661	1.3
256.99835	0.7
341.09036	50.0
342.09506	4.2
344.74472	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	27.9
69.38385	2.1
69.38811	4.4
75.52274	0.6
77.90659	0.6
79.95776	0.6
85.02972	1.6
96.96021	2.3
103.00383	23.4
112.49232	0.6
121.02973	100.0
122.03307	4.3
253.07143	6.7
339.11249	1.2
340.12457	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.5
59.01378	100.0
60.01719	1.1
61.98821	0.4
69.03460	0.7
69.82189	0.3
71.01401	0.7
71.72952	0.3
73.02947	0.4
79.95747	0.6
85.02955	1.0
94.74842	0.3
95.95304	0.3
96.96016	4.3
99.17731	0.2
118.15422	0.3
120.07874	0.3
120.51934	0.3
135.04530	0.3
161.02406	0.4
161.13309	0.3
191.14455	0.3
197.05118	0.3
205.12567	0.5
297.17047	1.4
314.02240	0.4
339.11295	0.6
339.14749	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	339.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27071	0.2
57.03442	0.4
59.01379	100.0
60.01716	1.2
60.45314	0.2
61.98822	0.2
69.03467	0.3
69.48773	0.8
69.49194	1.5
71.01398	0.6
72.39266	0.2
73.02957	0.4
73.03375	0.2
73.32453	0.2
75.00893	0.3
77.47668	0.2
79.57299	0.2
79.95763	0.3
82.56613	0.2
83.05069	0.3
85.02967	1.0
88.04021	0.2
88.09607	0.2
95.95232	0.3
96.96021	2.9
98.19933	0.5
99.00916	0.3
121.03085	0.3
149.53575	0.3
156.66254	0.2
191.01996	0.3
231.02086	0.2
276.29764	0.3
297.17096	1.1
339.14651	0.5
339.18295	0.9
340.15692	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.1
58.00601	1.2
59.01381	46.2
60.01681	0.8
65.34348	0.8
69.94828	4.5
71.01386	40.8
72.99280	1.9
73.02945	5.6
73.05013	0.7
78.95920	1.1
83.01371	0.9
85.02956	5.0
87.00880	3.3
89.02455	64.0
90.02766	1.3
95.01419	1.6
96.96053	1.2
96.96943	0.9
101.02463	15.8
103.04017	1.6
113.02467	11.8
115.12163	0.8
119.03513	11.3
120.99693	0.9
131.03528	8.8
140.43246	0.8
143.03528	4.7
149.04573	100.0
150.04893	2.2
161.04608	6.1
179.05627	20.3
243.12762	0.8
268.80084	0.7
313.97412	0.8
341.10968	25.0
342.11310	1.0
364.35953	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0878
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
57.03434	0.3
59.01379	4.5
69.03458	0.3
71.01385	3.0
71.71993	0.5
71.72375	0.3
72.99317	0.7
73.02953	1.3
75.00882	0.8
83.01386	0.6
85.02972	1.3
87.00873	0.5
89.02456	3.2
91.05581	0.3
93.03456	0.3
95.05028	0.3
96.96031	2.2
98.95590	0.3
99.00897	0.6
101.02457	3.1
103.78431	0.2
105.03478	0.7
107.05032	3.0
113.02467	1.3
117.03490	0.6
119.03516	0.7
119.05054	0.6
120.01354	0.3
123.04492	0.4
129.01964	0.5
133.02986	4.0
133.03986	0.3
134.03763	5.4
135.04544	100.0
136.04878	5.1
136.47884	0.2
137.02495	0.6
138.03143	0.2
138.05630	0.6
143.03526	0.2
145.01427	0.7
147.02992	0.5
147.04568	0.6
149.02411	0.4
149.06117	0.9
151.04053	2.2
153.05600	0.6
154.86923	0.3
161.02432	0.6
161.04553	0.3
163.04024	0.4
165.04105	1.1
177.01930	1.5
177.05540	0.7
177.09192	0.3
179.03517	11.1
179.05544	1.4
180.03806	0.4
191.03552	0.5
193.05080	3.6
193.12399	0.8
195.03076	0.3
209.04602	0.5
221.04701	0.3
279.08453	0.3
281.06717	0.3
341.08527	5.8
342.09070	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.7
57.03451	10.8
59.01369	3.9
61.78250	0.5
69.79671	1.8
69.80101	2.0
71.01391	4.6
72.99308	5.2
74.43420	0.5
75.00858	0.9
80.60720	0.6
83.01399	1.5
83.90974	0.5
84.02184	2.1
85.02959	100.0
86.03280	2.8
98.20452	1.7
103.00421	0.9
111.00935	1.4
117.03481	8.0
119.05050	9.0
129.01959	5.9
134.03706	0.5
145.02974	38.4
146.03342	2.9
147.03014	55.0
148.03362	1.9
163.04022	11.5
164.04366	0.8
173.00912	2.1
187.07684	1.4
191.01950	4.5
226.75282	0.6
231.06648	1.6
231.81924	0.5
260.50583	0.5
272.36404	0.7
273.46646	0.6
293.06638	8.5
294.06882	0.7
337.05637	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69790	0.7
55.01884	2.7
57.03448	10.6
59.01379	4.1
70.48961	3.0
71.01373	1.1
72.99320	1.0
74.65525	0.7
83.01376	1.2
84.02173	2.7
85.02959	100.0
86.03307	2.8
92.73891	0.8
96.96033	1.5
99.00887	0.7
103.00420	0.9
111.00926	1.1
117.03485	6.7
119.05032	6.4
129.01973	3.5
145.02971	30.4
146.03296	1.9
147.03014	19.1
149.44150	0.8
161.02428	1.1
161.07326	1.1
163.04047	5.6
173.00943	1.3
191.01985	87.6
192.02307	4.8
204.07651	1.0
231.06606	1.1
252.36911	0.9
293.06546	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30416	0.6
55.01878	3.4
57.03447	14.5
59.01386	3.4
69.92850	4.2
71.01389	2.9
72.07591	0.6
72.12821	0.7
83.01384	5.0
84.02179	4.1
85.02958	100.0
86.03288	2.0
93.03461	3.7
96.96015	2.1
97.03002	0.8
111.00900	12.2
112.01208	0.7
117.03453	5.7
119.05040	46.4
120.05369	2.4
125.02529	1.7
129.01961	19.0
145.02972	45.5
146.03322	2.2
147.03024	12.0
147.04373	1.4
159.43610	0.7
160.01669	1.9
161.04584	0.9
163.04024	47.3
164.04353	2.0
173.00937	4.9
173.04602	1.2
173.06015	0.8
175.04012	3.7
175.07622	0.8
177.05592	2.3
185.06120	1.0
187.07671	1.3
191.01987	27.4
191.05608	6.2
203.07158	3.0
212.05217	0.9
213.06256	0.9
222.02348	0.6
231.06609	14.2
232.07036	1.2
293.06693	2.5
337.05722	4.1
337.09180	0.7
337.15143	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.2
69.03465	0.9
70.05277	1.0
70.05695	1.2
71.01393	1.0
72.00919	0.9
73.02950	0.7
82.12325	0.4
85.02930	0.7
88.04044	0.6
89.02454	1.5
90.90926	0.3
98.06123	1.0
101.02472	0.7
112.38254	0.4
125.02474	1.7
126.05692	0.5
128.03566	3.8
129.63657	0.4
142.05121	3.6
144.06688	100.0
145.07051	3.0
149.04535	3.0
150.04930	0.6
153.94777	0.3
191.05487	0.4
297.12167	0.5
338.07861	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	335.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39373	0.2
55.01876	2.1
57.03449	12.5
58.00607	0.6
59.01381	9.0
68.99815	0.4
71.01376	2.8
71.05283	0.3
71.05649	0.6
72.99304	1.4
75.00877	1.0
79.95733	0.6
83.01372	1.9
84.02172	2.3
85.02956	100.0
86.03281	2.0
87.00881	1.1
89.02444	0.6
96.96017	2.7
99.00878	0.5
101.02469	0.5
103.00386	2.1
111.00887	0.8
115.00374	0.8
120.99714	0.8
129.01961	8.4
133.01384	0.3
141.94798	0.2
143.10805	4.7
144.16112	0.3
147.03009	7.6
148.82916	0.3
173.00880	0.6
191.01985	29.8
192.02322	1.3
209.03056	1.7
211.13452	0.7
255.00023	0.3
273.13425	0.4
317.12488	0.7
335.13620	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	335.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.5
57.03449	14.0
57.60544	0.4
59.01376	7.2
68.15459	0.3
68.99821	0.8
69.59070	1.3
69.59500	1.7
71.01379	3.2
72.99310	1.7
73.02946	0.8
73.58371	0.3
75.00878	1.2
79.37189	0.3
79.95745	0.5
83.01381	3.0
84.02175	2.3
85.02958	100.0
86.03294	2.7
87.00890	1.2
96.96026	2.1
100.54398	0.4
101.02470	1.1
103.00393	1.8
111.00902	4.8
115.00334	0.6
120.99722	0.5
129.01964	10.1
143.10779	4.8
147.03020	10.6
148.03345	0.4
173.00922	2.2
191.01991	33.2
192.02339	1.2
209.03017	1.8
211.13423	0.7
259.46390	0.3
335.13364	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	337.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.6
55.59758	0.7
56.06362	0.7
57.03447	21.3
57.56981	0.6
58.03811	0.8
59.01373	3.0
62.47675	0.6
69.57185	4.2
69.57589	1.5
71.01392	1.5
72.99317	1.4
83.01394	9.1
84.02186	3.4
85.02959	100.0
86.03290	1.6
89.08910	0.6
93.03467	1.5
96.96033	1.2
97.06554	0.8
102.99112	0.7
103.00368	1.2
111.00898	1.9
117.03512	5.7
119.05047	25.3
119.05918	1.2
120.05347	1.7
129.01964	50.8
130.02304	2.1
133.06720	0.7
145.02968	28.8
146.03317	1.3
147.03018	34.7
148.03331	1.4
154.99847	3.0
163.04025	16.2
163.05396	0.8
164.07173	0.8
173.00929	52.0
174.01250	1.6
185.06155	1.0
203.07140	3.2
231.06648	8.5
257.04422	1.1
275.05447	1.7
319.04642	2.5
337.05707	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	335.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	2.2
57.03183	0.6
57.03448	12.3
59.01379	6.8
68.99825	0.6
69.72416	1.8
69.72834	1.0
71.01374	2.4
71.41174	0.4
72.99318	1.6
73.02930	0.4
75.00864	0.8
83.01399	2.2
84.02178	2.6
85.02958	100.0
86.03302	2.4
87.00888	1.1
96.68534	0.4
96.96014	2.5
98.19952	0.6
99.00900	0.4
101.02462	0.6
103.00403	2.0
111.00921	3.3
115.00431	0.8
120.99690	0.9
129.01955	10.3
143.10805	5.0
147.03011	8.4
164.01117	0.4
173.00941	2.2
191.01990	31.4
192.02356	0.8
198.58258	0.4
209.03032	1.5
317.12289	1.1
335.13187	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	335.135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77597	0.4
55.01883	1.9
55.61060	0.3
55.97450	0.4
57.03448	12.6
58.99606	0.6
59.01376	9.4
68.99817	0.8
71.01385	4.9
71.73116	0.5
72.99311	1.6
73.02936	0.8
75.00883	1.6
79.95752	0.7
83.01383	2.9
84.02170	2.6
85.02959	100.0
86.03285	2.8
87.00894	2.1
87.01359	0.4
87.94321	0.3
88.04043	0.8
89.02434	0.6
95.50887	0.3
95.95229	0.5
96.96019	8.2
98.95575	0.4
99.00875	0.9
101.02464	1.0
102.98600	3.0
103.00375	2.0
105.00158	0.7
111.00893	5.0
115.00380	4.1
120.99667	3.1
129.01958	10.3
138.97078	0.4
143.10788	4.3
147.03014	11.5
148.65073	0.4
148.99103	1.1
150.05672	0.5
172.80408	0.3
173.00916	2.6
191.01988	34.7
192.02365	1.2
209.03033	1.7
211.13481	0.6
254.99977	1.5
255.15932	0.7
271.10379	0.8
273.13199	0.5
312.63675	0.8
317.12390	0.8
334.63144	0.8
334.95795	0.7
335.13559	4.6
336.13513	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1918
Annotation	Sachaloside VI
Peak:m/z	Relative Intensity
55.01874	1.0
57.03453	3.1
58.00580	0.9
59.01378	15.1
61.98825	1.1
64.38699	0.5
67.01913	0.6
68.99815	2.0
69.03445	1.2
69.62014	4.4
71.01385	34.6
72.99314	6.9
75.00877	23.4
78.95899	0.8
83.01408	3.7
85.02960	20.5
86.00095	6.2
87.00896	6.1
89.02454	3.4
95.01398	5.3
96.96004	0.7
97.02937	1.0
98.20728	0.6
99.00885	6.3
101.00047	0.6
101.02452	1.2
103.00376	1.1
112.01670	1.3
113.02462	11.1
115.00372	1.2
117.01953	1.6
129.01889	0.8
130.99927	0.7
155.14445	2.4
157.16057	0.6
199.17043	0.7
201.14847	0.6
207.54390	0.5
227.16565	1.9
242.88531	0.6
273.17081	1.6
315.18094	3.2
333.19186	100.0
334.19534	8.4
344.46127	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	3.6
59.01379	10.3
66.16481	1.4
70.21021	7.4
71.01375	7.3
73.02959	1.8
78.95928	3.8
83.01383	2.6
85.02953	5.0
89.02436	5.5
96.95979	3.5
96.96965	4.8
99.00876	5.2
101.02440	3.0
111.00857	3.6
112.04057	12.9
112.98825	11.1
113.02435	2.2
122.41952	1.2
128.03529	7.8
128.07191	100.0
129.01959	9.1
129.07510	3.4
136.04059	4.5
142.99893	3.1
154.05099	4.4
160.06160	1.7
173.00916	6.6
199.10869	5.3
205.03458	1.9
334.06601	4.2
335.04932	1.7
335.13394	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01726	1.1
69.79580	2.4
69.79993	0.9
71.01395	2.2
73.02974	0.8
74.40134	0.4
78.28160	0.5
79.95744	0.8
84.22073	0.6
85.02966	1.5
89.02446	0.7
94.06633	0.7
96.96012	5.8
96.96574	0.5
97.02979	0.7
101.02486	1.2
108.04576	0.6
113.02499	1.7
113.06102	50.4
114.06426	2.4
119.03469	0.5
120.04618	0.5
120.99700	0.6
122.06168	0.5
142.74641	0.5
155.07210	1.0
161.04556	2.5
166.05101	5.4
194.04626	0.9
210.04092	5.2
273.86493	0.5
275.11566	1.5
335.08575	0.7
335.12115	2.0
335.15396	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01892	2.0
57.03433	1.8
58.02979	53.9
59.01368	4.6
61.98816	3.9
66.65749	1.5
69.03452	3.0
71.01377	1.7
71.73210	2.4
73.25130	1.6
78.95885	3.6
79.22995	1.4
79.79323	1.8
79.95744	4.8
85.02959	3.4
91.05551	1.7
95.95218	3.7
96.95452	2.8
96.96022	38.8
100.08737	1.5
102.03517	1.6
111.88396	1.6
116.05075	58.9
117.05387	2.6
118.06653	14.4
123.09287	17.6
126.09243	5.4
129.10356	25.3
137.10814	2.1
138.96960	1.7
139.08829	11.1
140.10867	1.7
141.10362	2.3
145.09837	11.5
146.06152	2.9
153.10292	2.2
154.08766	2.9
167.08275	1.9
171.10068	2.4
171.11412	36.9
172.07684	2.6
174.05606	11.2
183.11398	1.7
185.09169	2.0
198.12816	5.6
210.10031	6.9
215.15515	9.4
216.13991	2.0
228.40224	2.1
231.14925	4.0
242.11848	59.8
243.12085	5.4
257.16577	34.1
258.17038	2.9
259.14502	17.6
268.46674	1.8
291.17105	9.0
301.15582	49.2
302.15814	4.8
333.05902	2.2
333.17093	100.0
333.63541	1.9
333.67236	25.1
334.17291	5.8
354.78659	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	333.0594
Annotation	sn-Glycero-3-phospho-1-inositol
Peak:m/z	Relative Intensity
63.01505	0.3
63.55106	0.3
70.84483	0.9
78.95906	80.2
96.95995	0.7
96.96969	15.3
132.88669	0.3
150.98024	1.0
152.99602	78.5
153.99953	0.8
171.00656	8.6
171.02121	0.6
223.00142	0.9
241.01175	41.8
242.01500	0.9
259.02213	2.6
303.85162	0.3
333.05902	100.0
334.06250	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	333.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.1
57.03442	0.8
59.01370	1.3
59.02375	0.6
67.80218	0.7
69.03458	100.0
70.03794	2.0
70.49950	2.2
71.01381	1.8
72.99316	2.3
78.95904	1.2
79.01908	2.0
82.89871	0.7
83.68523	0.6
85.02967	6.0
88.04032	0.7
95.01422	2.1
96.96008	5.5
97.02956	18.0
99.00889	24.7
115.00372	0.6
123.00900	1.3
141.01955	8.3
147.03165	0.6
147.04520	3.3
185.00925	42.4
186.01256	1.6
191.02036	1.5
226.36453	0.7
243.58182	0.7
263.33514	0.6
292.28546	0.6
298.66833	0.6
310.62256	0.8
332.61844	0.9
333.06146	6.7
333.09769	1.2
334.06625	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1399
Annotation	Gluroside
Peak:m/z	Relative Intensity
55.01869	1.8
57.03435	5.1
58.00593	3.7
59.01378	100.0
60.01688	1.8
66.63838	1.5
69.03465	2.6
71.01382	75.8
71.10914	4.2
72.99300	6.0
73.02944	3.4
80.59276	1.9
83.01421	3.4
85.02956	13.5
87.00874	2.9
89.02448	72.5
94.34665	1.5
96.96052	4.6
99.00857	2.3
101.02456	6.5
111.04536	3.0
113.02470	6.8
113.69530	1.6
119.03470	1.8
119.08672	65.8
120.09014	2.9
131.03534	7.5
149.04517	4.4
163.07664	47.1
164.07944	2.2
183.10269	2.6
199.09665	2.4
207.06099	4.0
213.74532	1.5
249.54305	1.9
301.13031	4.4
313.12921	89.4
314.13309	6.6
331.13974	74.7
332.14212	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	332.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21660	0.4
55.01878	3.1
57.03454	0.4
58.04953	0.4
59.01376	15.0
61.98828	0.9
69.03442	0.5
71.01382	7.5
71.71197	0.6
71.71614	0.5
72.99297	0.5
73.02962	0.7
74.02472	1.3
75.00879	2.5
78.95905	5.1
79.95739	0.6
80.96574	0.6
84.04543	1.9
85.02951	2.7
85.09421	0.4
87.00878	0.6
89.02458	1.0
94.02985	1.2
95.05064	0.6
96.00909	0.6
96.96011	6.6
96.96976	1.0
97.01717	0.7
97.95980	0.5
98.95604	0.6
101.02461	1.5
110.00095	0.6
110.02486	0.9
112.04054	29.2
113.02467	1.2
113.04411	0.6
115.92108	0.4
119.60191	0.5
120.01269	1.7
122.06146	3.5
123.04519	0.4
124.04055	26.7
125.02494	0.8
125.04405	0.8
129.01962	1.6
132.49922	0.4
138.05592	1.0
140.07191	14.3
141.07527	0.8
147.03006	4.3
152.07217	0.5
152.99599	5.7
153.01949	4.5
154.02278	4.5
165.04042	3.7
166.05113	1.9
167.03456	0.7
168.04262	2.3
169.04611	2.6
170.01805	0.4
184.06154	100.0
185.06531	5.1
187.22792	0.4
201.07578	0.5
241.01212	2.3
283.69263	0.4
288.15781	0.6
288.54947	0.4
332.06836	2.4
332.10422	7.7
333.06003	7.8
333.10205	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92862	0.8
54.01637	0.8
55.01875	1.0
57.03441	3.1
58.98114	0.8
59.01386	6.4
68.15492	1.0
68.99821	3.5
69.03464	1.0
69.71162	6.3
71.01376	2.1
73.02955	1.1
73.71410	0.9
75.00883	2.8
76.42816	0.9
84.04555	7.8
85.02956	11.8
86.02485	2.1
94.03008	2.6
94.06647	1.8
95.03779	11.5
96.04559	2.5
96.08199	6.1
96.96031	3.5
97.01715	3.7
110.06154	1.9
112.04091	5.4
116.05081	25.6
117.05511	1.2
118.06625	13.4
120.01299	0.9
120.04568	1.0
123.03280	5.9
124.07695	44.8
125.08002	2.0
129.01982	1.3
131.69589	0.8
133.05846	1.4
134.06236	1.3
137.04861	2.2
138.05617	7.0
144.04567	66.9
145.04971	1.5
146.06076	2.1
147.03120	3.2
155.10808	6.2
162.05623	94.6
163.06064	4.9
166.05130	0.9
185.07246	1.7
188.03555	17.6
189.03940	1.1
191.01979	3.6
195.05443	2.4
199.09799	4.2
199.13451	2.5
209.03181	1.1
217.13504	2.4
241.13449	11.5
245.12860	1.7
258.09198	5.7
259.14465	2.0
269.12943	15.3
270.13361	1.0
287.14005	100.0
288.14322	9.9
331.12982	7.5
331.17017	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	331.1036
Annotation	Leonuriside A
Peak:m/z	Relative Intensity
52.30001	0.3
55.24384	0.3
57.03457	0.4
59.01379	1.2
70.84657	1.0
71.01054	0.3
71.01379	1.9
73.02935	0.5
74.82368	0.3
75.52445	0.3
79.95734	0.3
80.67403	0.3
82.00589	0.4
84.00915	0.3
85.02954	3.1
87.00888	0.4
88.99671	0.3
96.96024	8.3
99.00926	0.6
101.02461	1.4
108.02190	0.5
110.00110	6.0
111.00881	0.3
113.02465	2.8
121.02909	0.3
123.00922	0.6
124.01682	0.5
125.02473	6.1
126.02832	0.3
126.17239	0.3
131.03534	0.4
136.01677	0.6
137.02428	0.4
137.99605	7.7
138.03210	0.4
139.00412	1.8
140.01146	1.0
146.25676	0.3
150.03322	0.5
151.00375	0.5
151.03973	0.5
152.01160	3.7
153.01955	100.0
154.02324	4.3
155.03549	2.2
161.04604	1.8
164.98372	0.3
166.02702	0.9
167.03511	11.7
168.04297	56.3
169.01447	0.7
169.05063	10.7
169.72110	0.3
170.05386	0.6
170.91606	0.3
177.01862	0.5
179.03470	0.9
181.01442	0.5
181.05177	0.6
182.99426	0.3
184.06226	0.4
191.03502	0.9
194.02171	0.5
196.03784	0.7
198.01581	0.4
209.04529	0.9
211.06139	0.9
212.49335	0.3
230.21529	0.3
241.00227	0.8
299.07706	0.6
300.76813	0.3
331.06940	9.9
331.10403	6.0
332.07272	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87941	0.5
56.99381	0.5
59.01377	4.4
60.78539	0.5
68.95176	0.5
70.20017	1.9
71.01392	3.5
73.02954	1.5
79.95743	1.9
80.96523	1.3
83.01387	0.7
85.02946	2.6
96.96018	62.4
101.02470	2.7
102.11972	0.6
108.02174	9.1
109.02950	2.3
113.02454	1.4
122.97582	1.2
125.02466	2.6
131.34816	0.6
138.97072	1.5
150.97054	1.2
151.00334	0.6
151.04039	0.5
161.04544	3.1
167.03601	0.5
169.01425	2.1
180.98141	1.6
194.44118	0.5
233.16156	0.5
241.00233	4.5
271.08224	2.3
331.07028	100.0
332.07288	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	331.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55186	0.3
59.01374	1.0
61.79269	0.3
66.69035	0.4
66.85751	0.4
71.01384	1.5
71.71106	0.7
72.99298	0.4
79.95737	2.2
80.96530	1.5
85.02946	0.9
90.37401	0.4
96.96017	79.1
101.02448	1.6
113.02438	0.7
122.97593	0.8
125.02473	2.0
138.97115	0.8
143.03526	0.4
149.99599	0.8
150.97115	0.8
152.98651	1.3
154.71739	0.3
168.00612	2.0
169.01372	0.8
180.98108	3.7
182.97134	0.3
184.06204	1.2
192.00848	0.4
195.06572	0.6
204.88571	0.3
241.00208	6.9
242.00351	0.4
331.07004	100.0
332.07285	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	331.0673
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
51.04631	0.4
52.93476	0.5
57.86411	0.4
59.01385	2.6
59.18563	0.4
61.39511	0.4
69.03465	1.2
71.01370	1.4
71.45227	0.4
73.02954	0.7
79.95748	1.0
80.96515	0.6
81.03465	0.6
83.01389	0.9
85.02957	1.5
87.00876	1.9
95.01393	0.5
96.96021	32.7
97.02971	1.3
98.19866	1.1
101.02464	0.7
107.01432	0.8
112.04071	0.7
113.02518	0.5
123.00857	2.6
124.01672	7.8
124.04079	0.5
125.02466	33.7
125.15947	0.4
126.02817	1.0
128.03520	0.5
137.02487	0.9
138.39052	0.5
138.97061	0.9
143.04613	0.7
149.99605	11.4
151.00452	2.4
152.98666	0.5
153.01939	4.3
165.01965	2.8
167.03487	1.1
168.00658	32.7
168.04318	1.7
169.01433	6.9
180.04346	2.6
180.98100	1.2
184.06163	2.5
184.43211	0.5
195.06624	7.2
195.08293	0.6
241.00266	1.9
313.05652	3.9
331.06839	100.0
332.07062	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2334
Annotation	9,12,13-TriHOME
Peak:m/z	Relative Intensity
57.03441	1.0
59.01382	1.1
61.98825	0.2
69.03441	0.3
69.83244	0.3
69.83645	1.0
71.05022	0.4
80.54503	0.2
81.03407	0.2
83.05032	0.6
85.02949	0.5
86.25889	0.2
96.96020	0.5
97.06598	0.7
99.08167	6.2
120.73431	0.2
125.09745	1.6
127.07576	0.2
127.11297	3.2
128.11591	0.2
129.09233	0.5
137.09720	0.3
139.11305	4.4
140.11636	0.5
148.28358	0.1
149.53320	0.2
151.11359	0.2
155.10783	0.5
155.14406	0.6
157.12340	0.4
161.44034	0.2
163.11275	0.2
165.12843	0.6
167.10788	0.5
167.14427	1.7
171.10284	10.6
172.10643	0.7
181.12332	0.2
183.13911	5.9
184.14220	0.5
193.12344	1.9
197.11839	0.3
199.13417	0.5
200.65413	0.2
201.11292	0.2
209.11818	1.7
210.12132	0.2
211.13397	31.9
212.13733	2.0
221.15382	0.2
229.14439	15.7
230.14742	1.2
293.21158	0.9
298.67990	0.2
311.22287	0.7
312.22491	0.2
329.23328	100.0
330.23663	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	329.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01138	0.8
59.01369	2.5
60.52245	0.8
66.32318	0.8
71.01384	6.4
71.71017	0.9
73.02940	3.9
87.00867	2.3
89.02448	27.9
93.62582	0.8
96.95989	2.1
96.96951	1.1
103.04012	1.6
105.01929	1.8
117.84843	0.8
121.08008	1.1
131.03525	7.0
149.04572	100.0
150.04913	4.1
157.92236	1.0
179.05583	1.8
266.78448	0.9
330.04968	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	329.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83535	0.6
59.01378	100.0
60.01738	1.5
69.49710	5.9
85.02946	0.7
96.96035	2.0
98.20385	2.5
99.04544	0.7
105.88127	0.6
118.99742	0.8
143.41537	0.5
203.19325	0.6
207.13925	1.3
209.11871	1.3
225.14972	84.8
226.15320	6.4
269.13943	11.5
287.14890	1.3
328.63690	0.7
329.16132	7.9
345.86972	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0878
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
57.03453	0.6
58.95376	0.3
59.01377	1.4
70.98275	0.3
71.01379	1.2
72.19157	0.3
73.02938	0.4
80.02655	0.4
85.02946	2.5
87.49786	0.3
93.03473	0.7
93.71885	0.4
95.01374	0.4
96.96024	1.1
98.19851	0.7
101.02458	0.5
102.65973	0.3
108.02188	53.6
109.02498	1.8
111.00897	0.4
123.04539	22.4
124.04859	0.7
125.02461	0.6
137.02470	1.5
138.30093	0.3
152.01175	38.1
153.01497	1.4
166.49780	0.3
167.03519	100.0
168.03851	5.3
191.01961	0.5
194.86371	0.3
209.04440	0.4
247.70123	0.4
256.57608	0.4
270.53580	0.4
275.31030	0.4
329.05362	0.6
329.08707	1.8
330.12155	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.4
57.03433	0.8
59.01379	3.4
60.05547	0.3
69.65735	0.3
69.66144	2.0
71.01382	2.4
73.02934	0.7
74.02497	0.3
75.00879	0.2
79.95727	1.7
80.96517	1.0
83.01405	0.7
85.02956	4.6
87.00894	0.6
87.46490	0.3
89.02473	0.4
93.03449	1.4
95.95232	0.3
96.04582	0.3
96.96021	57.2
98.95604	2.2
98.96466	0.4
99.00848	0.4
101.02464	1.4
111.00892	0.5
113.02461	0.3
114.01890	0.3
114.75400	0.3
122.97591	0.3
123.04534	0.6
125.02470	0.6
126.52042	0.3
136.07652	0.3
137.02454	2.4
138.97099	4.4
147.03029	0.8
150.97040	0.7
153.05602	0.3
164.98656	0.8
167.03499	0.9
167.07123	0.4
168.98126	0.6
180.98192	0.3
191.01982	1.3
197.04561	0.6
198.99217	3.1
209.04559	0.8
214.10808	0.4
241.00241	2.2
259.01309	1.0
268.12045	0.3
312.10739	0.3
329.09134	100.0
330.09335	6.3
330.12741	0.3
332.60165	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84892	0.3
51.50681	0.2
55.01858	0.3
57.03437	0.3
59.01378	2.6
71.01388	1.4
73.02943	0.8
79.95722	1.5
80.96520	1.4
83.01403	0.6
85.02959	1.1
87.00895	0.3
95.95273	0.3
96.96021	63.5
97.02925	0.3
97.95970	0.3
99.00891	0.2
101.02450	1.5
110.23470	0.2
113.02477	0.3
122.97609	1.1
138.97160	1.2
150.97083	1.4
164.98615	0.6
180.98096	1.1
198.99152	0.5
206.90218	0.2
241.00232	3.1
329.09103	100.0
330.09436	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	329.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44823	0.2
55.01874	0.4
56.95256	0.2
59.01376	2.0
61.79113	0.2
69.03455	0.3
69.58611	1.0
69.59039	1.2
69.82617	0.3
71.01395	1.4
72.99308	0.3
73.02936	0.6
79.95734	2.2
80.26452	0.2
80.96519	1.8
83.01388	0.7
85.02956	1.1
87.00880	0.3
95.95251	0.4
96.96023	68.6
97.02984	0.3
97.95952	0.3
99.00890	0.3
100.62049	0.2
101.02464	1.9
113.02457	0.5
122.97588	0.9
127.74533	0.2
138.97076	1.6
150.97057	1.3
164.98598	0.7
180.98108	0.8
198.99214	0.3
204.10501	0.3
234.48373	0.3
241.00230	3.5
242.00613	0.3
329.09113	100.0
330.09445	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	329.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71400	0.4
55.01880	0.6
57.03453	4.3
59.01381	4.5
65.29399	0.4
68.54878	0.5
68.99807	0.6
71.01384	10.6
71.71337	0.9
72.99289	0.8
73.02941	4.0
79.95732	1.1
80.96521	0.4
83.01395	1.8
84.02140	0.5
85.02959	31.4
86.03282	0.8
86.98583	0.5
87.00890	1.1
89.02461	1.5
90.34623	0.4
90.94392	0.5
93.03461	3.6
95.01392	0.5
96.96024	19.1
99.00876	2.1
99.04546	0.8
101.02451	7.2
103.00366	0.6
108.02190	3.4
109.02958	2.3
111.00882	0.7
113.02475	4.6
119.04982	0.4
121.02989	2.5
121.06598	0.8
122.03755	100.0
123.04608	15.1
124.04913	0.6
125.02462	1.1
129.01947	2.2
134.04694	0.6
135.04555	1.9
137.02469	7.4
137.06090	1.3
137.82808	0.4
138.05605	0.6
143.03549	0.8
147.03009	4.9
147.04385	0.9
150.05684	0.5
152.01215	1.0
152.98553	0.6
159.03030	1.7
161.04573	12.6
165.05569	6.8
165.06853	0.5
167.03491	3.4
173.00925	0.5
177.05583	2.7
180.98216	0.9
186.04143	0.5
191.01970	6.7
196.43530	0.5
197.04570	0.7
209.03011	7.1
210.03590	0.4
214.10847	0.5
222.95273	0.6
231.08737	0.9
241.00343	2.1
285.09903	2.1
312.10822	0.5
329.05493	19.4
329.08887	6.9
330.05197	2.3
330.08978	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.0454
Annotation	4-(6-amino-9h-purin-9-yl)-6-(hydroxymethyl)tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-2-ol 2-oxide
Peak:m/z	Relative Intensity
52.52550	0.1
59.01379	0.4
61.98784	0.1
66.51809	0.1
69.88369	1.0
71.01376	0.2
73.02936	0.2
73.06097	0.1
77.32256	0.1
78.95902	0.5
85.02962	1.0
89.02473	0.2
92.02542	0.8
96.96021	1.0
98.20601	0.3
101.02460	0.2
107.03654	3.8
108.02197	0.4
118.95142	0.1
122.06135	0.2
123.04535	0.6
134.04745	100.0
135.05206	2.4
137.02434	0.3
138.05626	0.4
147.03055	0.2
149.04564	0.5
152.01228	0.4
166.05081	0.6
167.03430	0.7
191.01907	0.1
191.12090	0.1
192.99103	0.3
211.34969	0.1
317.94678	0.1
328.04486	3.5
329.05276	0.9
335.02802	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0216
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	42.0
60.01730	0.5
60.30318	0.4
60.68789	0.4
61.55876	0.4
61.98818	2.4
71.70542	0.4
71.70916	0.8
78.95930	0.8
87.00896	1.0
95.80771	0.4
96.96012	0.9
115.02528	1.4
117.00458	6.7
126.98917	1.8
136.93976	0.8
143.02016	1.1
144.40231	0.5
144.99974	1.6
157.03560	0.9
159.01512	63.2
160.01645	4.8
168.99956	5.3
170.00131	0.6
170.97845	4.7
178.95085	1.0
187.00999	100.0
188.00758	9.5
201.02576	14.8
202.02634	1.5
217.00519	0.5
232.98311	0.7
252.04898	0.5
256.98169	0.6
259.01578	1.0
272.94016	0.6
274.99402	2.2
287.01151	1.0
311.01129	1.6
328.96780	1.8
329.02185	5.3
330.02078	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2175
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
51.73965	0.4
52.60080	0.4
54.56380	0.3
57.03436	1.3
59.01373	0.5
66.08887	0.4
69.03452	0.7
69.84167	2.7
71.01379	1.2
81.03444	0.4
83.05030	1.2
84.02162	0.4
85.02965	4.1
94.94453	0.4
95.05028	1.5
97.02953	0.4
97.06601	5.1
109.06613	0.4
110.03735	0.5
123.08180	0.6
125.09743	1.5
127.11292	1.7
137.09727	0.9
155.10757	0.5
155.14401	1.0
165.12834	1.1
167.14426	1.4
171.10283	8.8
172.10641	0.7
175.11194	0.5
177.12846	0.8
181.12239	0.7
183.13927	5.5
185.11848	1.4
193.12329	1.5
197.11832	0.6
203.10902	0.7
209.11809	1.9
211.13397	27.8
212.13779	2.6
221.11816	4.5
222.12299	0.3
227.12796	0.7
229.14436	14.8
230.14758	1.4
239.12816	2.4
247.20638	0.6
291.19641	3.1
309.20541	0.8
311.10706	0.4
327.21759	100.0
328.22095	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2177
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
57.03448	1.3
58.00586	1.8
59.01378	5.1
60.41350	0.5
61.98840	1.1
69.03449	0.9
71.01389	1.2
71.73157	0.9
73.03004	0.8
83.05017	0.8
85.02965	1.9
87.04500	0.7
89.02437	0.7
96.96018	2.0
97.06605	1.9
109.06588	0.7
111.08165	6.3
125.09753	0.6
127.07672	1.2
129.09229	1.0
132.04520	0.8
137.09711	2.6
141.09225	0.6
153.12856	0.8
169.12347	3.9
171.10284	9.8
181.12323	1.6
183.13918	1.1
185.11871	1.4
194.99374	0.9
197.11839	36.5
198.12248	2.3
199.13376	6.8
201.11298	1.9
209.11743	0.6
211.13416	6.4
229.14398	1.6
239.16541	6.4
267.10660	0.8
291.19864	2.8
291.22766	0.7
309.20834	3.5
327.21768	100.0
328.22110	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	327.2903
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
53.22085	0.3
58.93608	0.3
59.01359	0.7
61.98817	0.6
70.14735	0.6
70.15130	0.7
78.20782	0.3
81.03440	0.3
82.51096	0.3
83.05016	0.4
85.02927	0.3
89.06006	0.3
119.04960	0.3
148.57066	0.3
164.50595	0.3
185.00800	0.7
194.99379	0.3
211.13197	0.3
279.49524	0.3
281.28534	3.6
282.28775	0.4
309.27899	1.0
325.27429	0.8
327.18808	2.5
327.29031	100.0
328.29367	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.5
59.01379	100.0
70.73027	3.5
70.73421	4.8
71.01386	2.9
71.39745	1.8
73.01173	3.8
83.04994	2.3
85.02973	2.1
96.96015	7.3
97.06606	3.4
100.36035	2.1
125.43340	2.1
139.11299	4.3
163.11269	3.6
167.14436	2.0
179.14346	2.2
195.13893	12.6
197.15474	95.3
198.15816	7.4
202.90813	2.1
211.17099	3.9
221.69751	2.0
223.13368	9.4
239.16490	21.6
240.16823	2.9
241.14439	58.5
242.14854	4.3
271.73605	2.2
283.15466	13.8
300.15030	2.1
327.14795	3.7
328.15710	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	327.2174
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
53.56445	2.1
57.03446	3.0
59.01365	12.9
61.98820	8.2
71.01379	3.2
79.95735	2.6
85.02959	6.9
96.96013	3.8
98.20676	5.5
101.02423	2.6
121.02956	2.9
125.09759	3.7
126.14639	3.0
127.11251	2.5
137.09721	5.5
155.10815	2.6
171.10277	40.7
172.10640	4.5
185.11809	4.9
187.93080	2.8
193.98601	3.7
194.99283	4.0
197.11816	6.7
199.00766	14.4
201.11224	4.4
211.13307	7.9
229.14587	5.1
230.61624	3.8
261.61398	2.5
267.10742	5.8
285.20865	5.5
291.19885	3.1
309.20447	4.7
327.16336	17.2
327.21762	100.0
327.25720	5.0
328.22095	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0758
Annotation	(E)-2-Methylgeranyl diphosphate
Peak:m/z	Relative Intensity
53.93818	0.4
55.01900	0.5
57.03446	2.8
57.14433	0.3
58.00594	0.6
59.01090	0.8
59.01379	10.9
67.89270	0.3
70.16447	0.9
70.16844	0.9
70.98714	0.4
71.01382	6.4
72.99310	1.3
73.02944	1.1
74.60155	0.4
75.00891	0.8
79.95745	3.3
80.96519	1.4
83.01389	1.1
85.02958	17.1
87.00898	0.8
89.02453	3.4
93.03474	1.0
95.95210	0.8
96.96021	94.8
97.95964	0.5
99.00908	0.5
101.02449	4.7
111.00887	0.8
111.04539	0.7
113.02461	2.0
114.52165	0.4
115.00376	0.4
117.00120	0.4
119.03516	1.2
119.05039	1.8
121.02970	0.9
122.97587	0.6
129.01993	2.2
135.04530	0.8
136.04054	0.5
138.97070	0.7
143.05054	0.6
147.03070	1.6
147.04533	17.5
148.04875	0.9
150.97067	0.8
152.98653	0.9
153.01945	0.5
163.04024	0.7
165.05589	2.6
180.98137	3.0
182.09048	0.7
191.01967	2.3
199.09731	0.6
200.10120	1.0
209.03004	0.7
241.00223	4.4
265.09113	0.5
327.07516	100.0
327.10757	8.4
328.07788	7.7
328.10989	0.6
335.31802	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0876
Annotation	2-(4-Hydroxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
52.16927	0.7
54.36712	0.6
57.03454	1.1
59.01381	7.9
69.85194	4.5
71.01385	3.1
73.02973	1.2
75.00890	0.7
85.02956	4.4
89.02444	1.1
93.03469	28.6
96.96018	8.7
96.99312	5.6
101.02457	1.4
103.80065	0.6
106.04291	0.9
109.02964	2.4
111.04440	0.6
113.02448	0.6
117.03483	2.4
119.05039	23.7
119.08678	3.4
120.01240	1.4
120.05355	0.9
123.04533	2.7
129.01979	0.7
130.04247	2.0
131.05042	6.5
132.05708	0.8
133.02988	5.1
135.04514	0.7
137.02412	1.0
141.45326	0.7
143.05055	20.0
144.05376	1.2
145.02977	3.3
148.25073	0.8
153.01952	1.9
163.04031	12.2
163.07683	2.3
164.04239	0.7
171.04517	2.4
177.82091	0.7
185.57043	0.7
210.06839	0.8
211.07668	7.6
219.08086	0.8
219.24194	0.8
221.09647	1.2
222.06883	1.0
223.07565	2.1
231.36868	0.7
235.05641	0.7
235.07619	4.0
237.09209	8.1
238.09517	0.8
239.16570	3.0
241.00111	1.0
264.07855	0.9
265.08685	23.7
266.08942	1.4
268.10599	1.0
279.06757	0.8
283.09769	3.0
309.07611	6.0
312.09763	0.9
327.08728	100.0
328.08984	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.202
Annotation	2,3-Dinor-11b-PGF2a
Peak:m/z	Relative Intensity
57.03453	0.4
58.00599	0.5
59.01369	1.7
69.63915	2.7
69.64336	0.8
70.22767	0.4
71.01379	1.0
72.99316	1.3
73.02950	1.8
83.05043	0.9
95.05018	0.6
95.66822	0.4
97.02981	0.6
97.06592	1.1
109.06584	1.0
111.08151	3.0
113.09734	1.8
115.98152	0.4
121.10264	0.5
123.08166	2.1
125.09736	1.2
125.91572	0.4
137.09724	1.9
139.07721	0.7
139.11302	3.4
141.09256	1.5
141.12764	0.6
151.07648	0.5
151.11195	0.6
153.09253	3.5
153.12883	0.5
155.10799	0.9
165.09236	0.7
167.10765	0.9
169.12407	2.5
170.09485	1.2
171.10266	1.5
181.12363	0.6
183.01183	0.9
183.13931	0.7
185.11739	0.7
187.09653	0.5
197.11798	1.1
201.11412	1.6
213.11325	0.6
215.09232	1.2
216.09972	1.2
243.17493	0.5
245.19020	0.6
251.20244	0.9
261.18610	3.0
279.19595	2.3
307.19342	0.5
325.20197	100.0
326.20520	11.5
326.24356	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.6
57.03181	1.3
57.03446	16.4
59.01373	7.8
65.25452	0.8
68.70466	0.8
69.77190	5.5
70.07716	0.7
71.01388	7.9
72.99310	2.8
73.02960	2.0
74.09678	0.7
75.00877	2.6
78.22453	0.7
79.95743	4.3
80.96529	1.9
83.01392	5.4
84.02172	2.1
85.02958	100.0
86.03292	2.5
86.73285	0.9
87.00871	2.1
89.02433	2.0
96.96020	30.1
99.00886	2.1
101.02444	3.6
102.10587	0.8
103.00354	1.0
111.00910	9.5
113.02445	1.0
115.00416	1.2
119.05045	2.4
120.05370	1.4
121.02921	5.3
121.09171	0.8
125.02504	0.9
129.01956	18.9
132.99669	2.1
133.01411	2.0
135.04486	1.5
138.97078	0.9
144.85985	0.9
147.03027	5.7
151.00713	8.5
161.04514	1.4
163.03966	1.7
165.04179	0.9
165.05595	3.3
191.01990	17.5
192.02371	0.9
205.03514	5.8
209.03032	26.5
210.03354	1.3
241.00217	3.0
280.14374	0.7
327.07529	36.4
327.13538	1.8
328.08047	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	327.0755
Annotation	(E)-2-Methylgeranyl diphosphate
Peak:m/z	Relative Intensity
57.03440	0.6
59.01104	0.4
59.01378	3.7
69.55923	3.0
71.01385	3.1
72.16372	0.3
73.02956	0.4
75.00892	0.3
79.95743	3.1
80.96511	1.4
83.01378	0.4
85.02957	3.6
87.00866	0.6
89.02464	1.0
95.95232	2.8
96.96020	74.4
98.20657	0.6
101.02467	1.9
113.02452	0.7
122.97598	0.8
129.01962	0.4
138.97076	1.4
150.97084	1.7
164.98715	0.4
177.04039	1.7
180.98111	0.6
191.01979	0.9
209.03012	1.0
239.61607	0.3
241.00269	2.7
242.00487	0.5
256.99756	1.1
287.39505	0.3
305.47583	0.3
327.07541	100.0
328.04181	0.6
328.07892	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	325.202
Annotation	Plakortenone
Peak:m/z	Relative Intensity
59.01381	9.8
61.59823	0.8
61.98834	2.2
62.20876	0.7
63.50841	0.8
71.01388	1.9
71.30560	2.1
72.99335	1.0
73.02978	1.4
96.95972	1.1
101.02470	1.7
121.02984	3.0
122.03786	4.6
134.04767	2.6
136.05348	2.5
147.74947	0.8
164.08430	1.0
165.12947	1.2
167.14462	6.1
168.04236	1.8
183.01190	1.7
184.19286	0.9
193.15994	3.4
207.17586	4.1
231.17474	1.9
233.15503	1.5
247.17056	1.1
249.18588	35.6
250.18896	2.3
275.16541	22.9
275.19626	1.0
276.16895	2.2
281.21249	7.2
293.17581	100.0
294.17957	10.4
307.19153	4.0
325.20233	85.7
326.20471	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	325.202
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	2.6
59.01375	8.5
61.98809	1.9
69.03455	2.6
69.46427	11.8
71.01388	7.7
71.05019	2.7
73.02954	2.2
75.41891	1.0
76.44786	1.1
81.03474	2.1
83.05029	6.0
84.02172	2.8
85.02950	1.8
90.51183	1.0
95.05024	2.7
96.96020	2.9
97.06597	4.6
98.03694	1.1
99.04537	1.6
99.08160	3.0
101.02463	2.1
106.04256	1.6
109.02930	1.1
109.06602	2.7
111.08191	1.3
113.39492	1.0
115.07644	2.1
123.08140	2.7
125.06130	1.6
125.09758	5.7
127.07658	16.4
134.04736	1.9
135.08154	4.3
137.09740	1.6
138.06905	1.4
139.07675	4.2
140.85495	1.1
141.09239	1.4
141.12947	1.2
153.09225	16.4
155.10733	2.9
163.02484	1.2
163.11301	3.4
165.12859	2.7
165.86290	1.1
171.10277	24.0
178.09995	2.5
185.11845	16.8
187.09746	1.4
191.10782	2.0
191.14326	2.3
197.11847	14.6
201.11380	1.2
209.11823	70.7
210.12221	6.0
211.13402	2.9
227.12840	2.1
235.13458	1.6
236.10500	1.4
237.15027	1.5
238.12025	6.8
239.16426	1.5
245.19016	3.5
255.12250	1.5
256.13101	1.3
279.19699	1.7
289.18063	12.2
290.18533	1.7
307.19144	100.0
308.19553	12.9
325.20206	55.9
326.20508	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	325.202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64826	0.7
53.55106	0.8
55.85897	0.8
57.03464	4.4
59.01376	6.3
61.98814	1.6
68.45970	0.7
69.03444	2.2
69.96255	2.3
69.96687	2.5
71.01382	2.1
71.05026	3.8
72.99291	0.8
73.02961	1.9
80.02673	1.7
81.03471	1.0
83.05024	2.2
84.02200	0.7
85.02930	0.7
85.06598	0.9
87.04525	1.3
93.07003	0.7
95.05019	1.2
96.96020	2.1
97.02942	2.0
97.06583	4.1
98.03712	1.2
100.72360	0.7
101.02438	1.6
109.06593	8.3
110.03780	1.2
111.04476	0.7
111.08170	10.2
111.15361	0.7
115.07644	0.8
115.23166	0.8
121.06699	0.7
123.04516	1.3
123.08163	4.2
125.06086	1.4
125.09734	12.3
127.07640	1.0
127.11267	4.0
135.08226	1.4
137.09717	4.7
139.11317	1.2
141.09317	1.0
151.07701	0.9
151.11308	5.0
151.12311	0.9
152.08556	0.9
153.09227	2.6
155.10774	2.9
163.02560	1.4
164.08542	1.5
165.09196	1.8
167.10818	2.9
169.12355	3.0
171.10255	8.0
181.12401	1.7
183.10309	0.9
193.12321	1.4
195.10257	2.4
197.11830	12.0
199.09843	1.2
199.13411	1.5
201.11328	35.7
202.11673	2.3
209.11823	9.0
210.12390	1.3
211.09785	1.7
211.13400	11.5
212.13705	1.1
213.11330	23.1
221.11871	0.8
227.12877	2.1
235.13400	2.0
237.14951	4.3
245.19014	1.3
249.14955	0.9
261.18634	4.2
263.20145	1.2
271.17221	1.1
279.19644	1.2
281.17618	1.1
289.18054	11.9
290.18570	1.3
307.19174	20.7
308.19534	2.6
325.20197	100.0
326.20560	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	325.0929
Annotation	4-O-beta-D-Glucosyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
51.51954	0.3
58.91813	0.3
59.01382	1.9
71.01392	0.9
71.72305	0.4
72.99310	1.7
73.02960	1.2
74.01044	0.2
75.00886	0.4
83.01411	0.7
85.02946	0.8
85.88326	0.2
87.00899	0.5
88.77254	0.2
89.02473	0.3
89.62724	0.2
93.03482	0.4
95.01438	0.3
96.96015	2.8
99.00919	0.4
101.02460	3.3
117.03490	0.6
119.05042	100.0
120.05374	5.1
121.02965	0.3
123.04512	0.3
127.64719	0.3
133.02982	0.5
135.04556	0.4
144.06680	0.4
145.02985	2.7
148.05327	0.4
159.04497	0.2
163.04018	84.6
164.03044	0.5
164.04361	4.6
174.03264	0.3
175.04074	0.4
176.04800	0.7
178.06360	0.5
188.04773	1.1
191.07108	0.6
200.05208	1.1
201.05614	0.3
205.05043	0.4
221.08221	1.2
235.06041	0.5
245.04689	0.4
247.38298	0.2
252.04529	0.4
280.86548	0.3
282.05972	0.4
325.09271	2.0
326.06671	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	323.2227
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
51.61304	0.9
57.87308	0.9
59.01380	13.7
60.50891	0.9
61.98815	1.3
70.22598	4.7
71.01385	2.4
74.58136	0.9
79.95706	1.0
85.02895	1.1
86.20046	0.9
87.87822	1.0
96.96010	1.9
98.19901	1.0
101.02435	1.8
113.02462	1.0
115.92043	0.9
123.04527	1.3
133.02977	2.4
135.04482	1.1
161.04613	1.1
165.09207	2.3
165.12860	2.2
261.22238	4.4
276.51556	0.9
279.23422	1.0
305.21210	100.0
306.21567	12.1
323.16580	5.5
323.22275	22.2
324.22568	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1862
Annotation	Albocycline M-1
Peak:m/z	Relative Intensity
57.03435	7.3
59.01381	88.0
61.98818	11.3
69.61298	42.1
71.01382	19.9
71.05048	6.0
72.99348	5.1
73.02927	12.1
83.01401	10.2
83.05048	5.2
85.02957	13.5
89.02436	7.4
95.05029	17.7
96.96016	30.7
97.06606	9.5
99.00893	7.6
99.04536	5.8
101.02451	20.3
105.03509	6.3
109.06617	6.3
109.07386	4.8
111.08163	6.8
121.02904	5.0
123.04603	5.3
125.09701	16.9
130.08751	57.9
131.09122	36.5
133.02956	30.5
135.08189	9.0
153.09213	11.3
161.04605	10.7
171.10284	13.7
177.01895	12.6
183.40813	5.0
209.11789	15.3
267.35208	5.2
277.17831	5.3
305.17490	9.9
323.09195	7.0
323.15176	17.7
323.18329	100.0
324.18881	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.4
59.01377	9.0
65.58054	0.6
71.01388	0.9
71.57342	1.4
73.02944	1.4
77.66909	0.6
79.95733	3.6
89.02473	0.9
93.03412	0.6
96.96017	1.4
98.57145	0.6
99.00881	0.7
101.02441	1.5
101.04762	0.6
105.03482	0.7
107.08690	3.0
111.08186	1.0
125.09753	1.0
133.02986	1.7
134.03735	0.6
139.11302	2.1
150.00052	0.6
161.04562	0.9
165.12871	1.8
167.10754	1.0
171.10306	1.0
177.12885	1.6
181.12280	1.0
193.12273	0.8
195.14018	0.9
197.11754	1.0
199.13426	1.4
213.11287	1.6
229.14407	1.8
239.12910	1.4
247.20645	2.1
263.20114	1.5
273.18604	2.3
279.26920	1.0
282.46436	0.7
291.19662	42.6
292.20065	4.2
305.21432	0.8
308.19962	6.8
320.96335	0.6
323.22281	100.0
324.18945	0.9
324.22607	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.4
57.03451	1.1
58.00600	0.6
59.01377	100.0
60.01713	1.4
65.95750	0.3
70.12626	1.2
70.13025	0.6
71.01385	8.1
71.05024	0.5
72.99305	0.7
73.02941	2.4
73.65308	0.4
77.86639	0.4
80.27829	0.3
83.01392	0.9
85.02956	8.6
87.00848	0.5
89.02464	4.9
95.01404	0.6
96.96011	0.5
96.99311	0.4
98.19824	0.4
99.00896	1.1
101.02449	7.2
101.06100	1.3
105.03495	0.5
108.22095	0.4
113.02450	3.1
119.03519	1.7
133.02951	2.2
143.03510	0.5
145.10620	0.4
147.03009	2.1
154.06281	0.5
159.03052	0.8
161.04576	4.3
175.04034	0.9
177.01965	0.5
179.05708	0.6
191.02014	1.0
238.96306	0.4
263.11279	3.0
281.12665	0.6
323.07822	0.8
323.09158	0.4
323.13467	7.2
324.13873	0.5
332.95770	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.0
57.03438	2.1
58.00587	3.1
59.01380	80.3
63.09199	0.7
69.03497	0.7
69.50566	4.5
69.50985	2.3
71.01385	44.3
72.99304	3.0
73.02957	2.8
83.01392	2.7
85.02961	13.0
87.00921	2.0
89.02454	46.5
95.01396	2.1
95.50960	0.7
96.96021	2.4
97.13533	0.8
99.04570	0.9
101.02455	28.8
101.71922	0.7
109.57885	0.7
113.02460	15.1
113.65275	0.7
119.02650	1.1
119.03513	21.2
119.04321	1.5
131.03517	1.7
133.02980	3.7
133.11913	0.8
143.03531	2.0
146.04691	1.1
147.03035	2.0
149.04538	1.1
160.01740	1.0
161.04570	2.3
161.08278	1.1
175.04066	0.9
177.01909	1.1
179.05623	3.0
213.49895	0.7
242.72246	0.7
260.26956	0.9
273.36795	0.7
323.13510	100.0
324.13910	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	323.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55576	1.0
55.01866	2.3
57.03448	5.8
58.00593	2.2
59.01379	88.1
60.01692	1.0
61.01019	2.6
69.03453	1.3
69.38804	9.8
71.00044	1.1
71.01385	46.4
72.99317	7.0
73.02957	5.0
74.99098	1.1
83.01404	3.1
85.02959	59.3
86.03286	1.2
87.00871	5.5
89.02451	52.1
90.02793	1.0
90.24126	1.0
95.01390	2.6
96.96018	2.5
96.96983	1.0
98.20564	2.3
99.00890	3.8
101.02453	31.3
113.02464	18.7
114.02737	1.3
114.98476	1.4
115.02105	1.7
119.03513	21.7
120.01289	1.4
125.02416	1.7
128.07198	18.5
129.01921	1.4
129.05377	1.0
129.07529	13.2
130.07758	1.0
131.03502	3.8
134.03738	2.1
143.03502	2.5
144.06682	7.6
147.03020	20.5
149.04558	26.8
150.04866	1.5
157.03160	3.3
160.01663	3.2
161.04591	3.7
175.04100	7.4
179.05594	5.5
191.01976	5.8
191.03604	2.0
209.03058	1.3
211.00241	1.2
223.12042	1.2
247.07927	1.1
263.05737	15.3
323.07828	18.1
323.13458	100.0
324.07803	2.2
324.13654	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03682	0.8
57.03444	1.8
59.01390	4.5
62.27352	0.7
70.49238	3.2
70.49596	1.5
73.01038	0.8
77.72937	0.8
85.02960	31.0
87.62883	0.8
96.95435	1.6
96.96022	16.2
101.02456	22.9
117.03489	5.6
129.01958	100.0
130.02251	2.1
134.03757	47.7
135.04112	2.2
143.44943	0.9
147.03004	14.4
149.06087	5.7
178.02711	3.6
193.05072	56.7
194.05431	4.2
249.05905	0.9
258.09277	2.9
264.02243	1.0
292.96857	0.9
323.07843	2.4
323.11533	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	323.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75750	0.3
54.69589	0.3
56.58353	0.3
59.01377	21.4
71.01381	6.4
71.05017	2.6
71.72826	0.3
71.73278	0.5
73.02942	0.8
75.00864	0.7
75.24813	0.3
79.95734	3.9
80.74083	0.4
80.96513	1.1
85.02966	0.6
86.07468	0.3
87.00900	0.3
94.79464	0.4
94.98080	0.9
95.95258	0.7
96.96020	54.6
97.95935	0.5
99.00918	0.4
101.02463	0.4
113.02455	0.5
122.97595	31.7
125.09740	0.5
127.11302	13.4
128.11612	0.8
129.01930	0.9
133.03023	0.4
147.03023	0.6
155.14388	0.6
181.12318	1.5
199.13400	43.0
200.13753	2.8
205.12428	0.3
205.84749	0.3
209.28107	0.3
241.00203	0.5
243.15962	0.6
257.10501	0.8
279.09122	1.4
323.11688	100.0
324.12015	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	323.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04997	0.9
56.62232	0.8
57.03436	2.0
59.01377	84.1
60.01704	0.9
67.44005	0.9
69.69064	2.0
69.69476	4.7
71.01381	1.5
73.02933	1.3
74.99100	1.0
77.81206	1.0
79.95741	1.6
85.02953	12.9
87.00890	2.9
89.03974	3.4
96.96021	27.1
101.02467	4.8
102.98605	1.1
115.25546	0.8
117.03471	11.1
118.94835	1.0
119.04977	0.9
120.99648	1.1
129.01949	24.5
130.02280	1.3
132.02173	3.4
133.02983	1.0
134.03754	100.0
135.04065	4.9
145.02963	4.2
147.03033	7.5
149.06088	7.8
155.53802	0.9
159.03079	1.7
160.01660	22.0
161.02414	2.2
175.04010	39.3
176.04350	2.9
178.02629	1.0
193.05061	91.7
194.05418	6.1
197.00612	1.0
199.13512	1.0
219.06618	19.8
220.06960	1.0
241.00154	2.0
243.12352	3.0
258.09207	2.3
261.07587	1.5
283.30917	0.8
323.07983	10.8
323.11612	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	323.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	7.8
59.01376	32.0
60.48529	1.1
62.38267	1.4
66.03610	1.2
69.03474	1.6
71.01387	7.2
72.11531	1.3
73.02943	1.1
75.00868	3.8
78.06033	1.2
83.05003	1.7
85.02951	25.4
87.00873	4.4
89.02484	1.7
96.96020	31.3
98.19842	2.7
99.00875	2.1
101.02451	15.8
103.04022	9.7
111.00896	1.4
113.02465	6.0
118.58550	1.1
129.01956	82.4
130.02225	1.8
131.03479	1.9
133.02951	1.5
133.05849	5.8
134.03754	19.0
147.03014	100.0
148.03336	2.8
162.02324	5.8
172.08063	1.1
175.03949	1.9
179.01743	2.6
193.05051	12.7
195.04846	4.0
205.12347	1.3
207.10199	3.3
241.00163	1.6
249.06078	3.1
249.08585	1.3
258.09238	26.3
267.07156	2.9
323.08078	2.5
323.11673	5.7
323.15021	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	322.2023
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
50.00692	0.2
50.50030	0.2
58.02972	1.8
59.01375	0.3
71.72988	0.4
73.02307	0.2
73.36510	0.2
81.03457	0.6
85.24125	0.2
86.39816	0.2
95.05043	0.8
95.53001	0.2
97.06592	0.3
109.06622	0.5
128.09865	0.3
128.10829	7.0
129.11160	0.4
130.08752	100.0
131.09094	3.7
156.47859	0.2
163.19145	0.2
165.12842	1.0
172.09824	0.6
172.28641	0.2
322.20227	40.2
323.20596	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	323.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.8
59.01380	24.4
61.01018	3.3
68.99823	3.3
71.01384	17.5
73.02957	13.3
78.95918	1.2
82.84928	0.9
83.01405	1.3
85.02955	11.6
87.00880	4.6
88.03999	1.2
89.02453	35.5
90.02771	1.2
95.01346	0.9
96.96018	3.6
96.99316	4.8
99.00892	8.1
101.02438	7.8
103.04037	1.6
113.02488	4.5
114.01996	1.4
115.02115	2.4
117.01202	1.7
117.01960	20.8
119.03494	4.2
124.09998	0.9
125.02477	1.3
128.07199	19.5
129.01978	1.5
129.07558	13.3
131.03514	7.0
143.03598	1.1
144.06689	8.7
147.03043	1.9
148.00407	2.0
149.04572	100.0
150.04915	3.3
157.03172	5.7
161.04601	2.2
163.02780	2.8
173.02603	1.4
175.04129	6.6
178.05069	2.9
179.05614	3.0
191.02068	2.2
191.03711	3.6
203.03470	2.3
222.36920	1.0
229.61340	1.0
263.05704	3.1
264.05121	3.4
304.01956	1.1
323.07889	35.9
323.13467	15.8
324.07358	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	322.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.3
57.03442	1.6
59.01374	7.7
61.00997	0.4
69.03454	0.3
71.00217	0.8
71.01383	5.0
72.99306	0.6
73.02951	1.3
78.95912	4.4
81.03456	0.5
83.01402	0.7
85.02956	2.5
87.00881	1.8
88.01237	0.4
88.04096	0.3
89.02451	5.7
96.96983	1.8
98.02514	0.5
99.00891	1.0
99.04523	1.3
101.02453	3.2
111.02015	1.1
112.98836	1.8
113.02453	2.0
115.00416	0.4
119.03513	1.6
120.01295	0.5
128.03563	1.0
128.07191	100.0
129.01997	0.3
129.07547	3.5
131.03500	0.6
142.99864	1.3
143.03531	0.6
147.03078	0.4
149.04579	6.8
157.03123	0.6
160.06206	0.5
161.04578	2.8
173.00977	0.5
175.04123	0.5
176.02760	0.3
179.05608	0.9
211.00130	4.8
263.05640	0.6
263.08032	0.4
322.04626	0.4
322.08295	0.6
322.11499	0.9
323.02332	0.6
323.07739	0.9
323.09799	2.4
323.13202	5.3
340.64697	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20572	0.4
56.65381	0.3
57.03448	0.7
59.01381	3.0
62.37838	0.3
71.01392	1.8
71.70844	0.5
73.02955	1.0
85.02962	2.0
85.43021	0.3
86.03341	0.4
87.00887	1.4
88.01231	0.4
89.02452	3.9
93.18355	0.4
96.96025	1.0
99.00900	1.4
99.04557	0.7
101.02460	1.2
103.03992	0.5
113.02462	0.4
114.01930	0.5
127.72587	0.5
128.03539	3.4
128.07195	100.0
129.01909	0.4
129.07552	3.1
131.03583	0.8
149.04575	14.9
152.81470	0.4
156.03427	0.4
157.03181	0.7
161.04567	1.2
175.02663	0.4
175.04211	1.2
191.02045	0.8
191.03722	0.6
242.00844	0.5
246.13716	0.4
263.05649	0.4
271.00900	0.4
303.93616	0.4
322.08331	2.0
323.07681	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	322.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03391	0.3
57.03441	0.4
58.22309	0.3
59.01374	2.0
65.12006	0.3
70.02972	0.3
71.01367	0.7
72.99317	0.4
73.02923	0.4
74.02484	2.1
79.95754	0.3
83.01416	0.4
84.01495	0.3
84.04555	0.7
85.02956	1.9
86.84018	0.2
87.00864	0.4
89.02439	0.3
89.03975	2.6
89.19940	0.2
96.96022	3.0
98.02543	0.4
98.20657	0.6
101.02454	0.8
104.03545	0.4
106.04231	0.5
115.04012	0.3
116.03561	1.7
117.03471	10.0
118.03797	0.5
119.05091	0.4
120.01305	0.5
128.07173	0.6
129.01959	1.7
134.03757	100.0
135.04082	5.3
137.02455	0.3
145.02959	1.3
146.04608	7.6
147.03000	0.9
149.06087	6.4
150.06392	0.6
159.02953	0.5
160.01628	0.5
175.04059	0.9
177.04065	1.1
178.02563	0.3
183.88054	0.3
193.05066	87.5
194.05396	5.5
222.04695	0.4
241.00317	0.5
242.00537	0.9
243.00089	0.4
248.51207	0.3
302.98926	0.3
322.09985	0.5
322.15985	0.3
323.08328	0.3
323.17068	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.8
57.03453	5.6
57.97088	0.7
59.01377	5.6
70.88283	0.7
70.92382	2.3
71.01382	4.3
72.99334	2.8
77.21601	0.6
82.03030	0.8
83.01419	1.0
84.02216	1.6
84.04553	1.5
85.02957	59.1
92.05098	1.0
96.96032	3.1
100.04060	0.8
101.02439	0.8
101.21918	0.5
102.05615	40.7
103.05975	0.9
110.06134	2.1
111.06504	1.1
117.03484	2.1
122.06141	1.4
123.06467	1.2
128.03554	49.3
128.07211	1.0
129.01999	1.1
129.03905	1.3
132.02214	3.7
134.03754	52.3
135.04100	1.9
137.04413	1.0
145.02995	0.7
146.04610	100.0
147.01837	1.5
147.03014	29.2
147.04771	3.5
148.05296	0.6
149.06105	23.1
150.06436	1.3
159.03192	0.6
160.01680	21.3
161.02394	2.1
162.03273	0.7
172.02516	2.0
175.04019	35.1
177.05548	1.4
193.05074	21.1
194.05348	0.7
204.06708	0.6
204.12323	0.9
211.53920	0.7
232.09856	4.0
233.71938	0.7
234.11337	0.8
248.11107	1.5
253.45160	0.6
260.11206	1.6
260.62762	0.8
278.10214	2.4
291.93048	0.6
304.05008	0.9
304.08200	10.4
310.79517	0.6
322.09180	36.1
323.07730	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	322.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17142	0.7
55.83251	0.8
57.03443	1.2
59.01374	5.1
69.60701	6.4
73.04500	0.8
82.02982	0.9
85.02954	4.1
85.63271	0.7
89.03979	1.1
89.27456	0.8
96.96033	2.5
98.95667	0.7
100.04102	0.8
102.05618	10.3
103.05917	0.7
117.03470	3.1
121.02960	0.9
128.03561	28.4
132.02174	1.1
134.03761	100.0
135.04022	4.2
136.05319	0.9
142.25803	0.7
146.04617	53.2
147.03003	1.0
147.04945	1.5
148.05333	1.4
149.06108	38.8
150.06419	1.8
160.01686	10.1
161.02411	2.4
162.03220	1.7
172.02559	1.7
175.04019	22.6
176.04395	1.4
177.05603	1.9
189.04170	0.9
192.06647	2.4
193.05083	32.6
194.05457	1.6
198.01799	0.8
217.22954	0.8
232.09766	8.5
233.10094	0.8
234.11310	1.1
245.06967	1.0
260.09210	1.4
278.10297	6.2
304.08264	17.7
304.49301	0.9
305.08591	1.7
322.09326	52.6
323.09662	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	321.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.6
57.03444	4.0
58.75194	1.0
59.01382	7.7
63.44024	0.9
63.81064	0.9
69.03455	7.7
69.60895	8.7
71.01388	11.8
73.02947	17.6
78.95910	5.7
83.01401	3.5
85.02960	34.2
87.00883	100.0
88.01226	1.9
95.01399	4.3
96.96028	11.8
96.96962	9.6
97.02956	24.9
99.00896	2.0
101.02454	1.4
103.04025	10.4
112.98804	1.3
113.02438	8.6
115.00392	11.6
115.04064	1.1
120.99667	3.6
124.01559	1.1
128.03531	2.7
128.07191	68.3
129.01958	3.8
129.74849	1.1
142.99908	1.4
157.01428	10.2
175.02492	55.3
209.02974	1.1
216.13846	1.1
217.03551	19.8
228.06706	1.1
241.00221	12.2
303.07153	5.8
316.38190	1.0
320.96008	1.3
321.06760	1.4
322.08337	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	322.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68140	0.7
52.77185	0.6
59.01374	3.0
60.66042	0.6
69.08134	0.7
69.72783	4.4
81.36076	0.6
84.04549	0.7
85.02969	2.2
89.04005	0.9
96.96014	1.8
102.05622	44.3
103.05964	1.2
114.46584	0.7
115.09563	0.6
117.03507	1.3
128.03561	49.6
129.01955	0.8
129.03897	1.5
132.02205	1.9
134.03761	50.4
135.04095	1.2
136.74219	0.7
142.56703	0.7
146.04614	100.0
147.03044	1.3
147.04967	3.3
149.06094	23.3
150.06442	1.1
160.01678	12.0
162.03136	0.7
172.02545	1.9
175.04019	19.5
176.04362	1.1
177.05580	1.6
193.05083	18.2
194.05309	1.3
218.08302	0.8
232.09836	4.3
241.00389	0.6
260.09290	0.9
265.70526	0.7
278.10315	3.6
304.08264	10.2
305.08551	1.0
322.09335	37.0
323.09570	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	321.0826
Annotation	2-O-L-ramnopyranosyl-4-Deoxy-alpha-L-threo-hex-4-enopyranosiduronoic acid
Peak:m/z	Relative Intensity
55.01871	0.9
57.03440	3.4
59.01380	7.8
69.03452	4.8
69.63949	7.5
69.64352	1.7
71.01055	1.0
71.01385	10.4
71.78235	0.8
72.99284	1.0
73.02954	14.5
74.03981	1.0
78.95889	2.8
82.87947	0.8
83.01376	1.8
85.02954	29.3
87.00879	100.0
88.01215	1.1
89.02453	7.2
95.01389	3.5
96.96948	2.1
97.02953	22.0
103.04019	10.8
110.98511	2.6
111.00893	1.8
113.02445	7.8
115.00382	10.8
115.04020	2.3
125.02445	1.2
125.22798	1.0
128.03548	9.3
128.07219	11.4
129.01987	0.9
131.03502	1.7
144.06696	1.5
149.04573	19.6
149.36848	0.8
156.03510	1.9
157.01434	8.5
174.04602	1.4
175.02483	45.9
176.02858	2.1
217.03511	18.4
226.46320	1.1
239.26358	0.9
241.00249	1.2
288.29846	0.9
289.13007	0.9
303.07065	5.7
321.07883	4.9
322.08276	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	321.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51115	0.8
55.01868	1.4
57.03448	1.8
59.01371	10.0
68.99814	5.2
71.01388	7.2
72.99312	1.4
73.02972	1.0
74.02499	0.9
79.95754	1.8
83.01387	15.5
85.02960	9.1
87.00887	5.3
93.03465	17.5
94.03791	0.9
96.96023	34.3
96.99316	2.6
97.02894	1.1
99.00887	2.4
101.02454	2.2
107.05003	0.9
108.04578	2.5
111.00890	3.9
112.04050	1.2
113.02455	2.0
113.16732	0.9
115.00410	7.3
117.03487	10.2
119.04244	1.7
119.05048	25.3
120.05362	1.9
121.02930	1.8
121.06578	1.4
125.02428	1.4
127.00391	5.1
128.03551	1.3
128.07182	1.2
129.01952	3.0
130.04179	1.4
130.06624	1.5
131.05023	3.9
133.03024	1.4
133.06616	12.6
134.03763	38.0
135.04538	2.7
136.07669	0.9
139.00398	8.2
143.04999	3.0
145.02954	10.7
145.06606	3.4
146.03575	1.0
146.04623	4.9
147.04544	25.2
148.05246	1.5
149.04909	1.2
149.06097	21.0
152.03561	2.3
157.01450	9.3
157.06580	2.1
159.04524	3.5
160.05251	1.0
161.02414	2.1
161.06081	8.5
163.04015	6.7
165.05615	5.7
171.04567	1.5
173.02461	0.9
173.06104	4.1
174.03137	1.3
174.05527	1.2
175.02545	14.3
175.03978	2.0
175.07674	1.5
177.02052	1.8
177.05577	35.3
178.06078	1.8
185.06142	4.8
186.06572	0.9
187.02420	1.0
187.04008	2.1
189.05598	6.2
190.02715	1.5
191.03485	1.4
192.04321	1.5
193.05070	46.8
201.05586	1.3
203.03476	2.7
203.07155	11.3
205.03482	3.4
205.05171	2.4
215.07149	1.1
217.05051	12.3
219.03072	1.1
221.04555	100.0
222.04829	8.1
229.05023	2.3
234.11687	1.1
241.00235	45.4
242.00603	2.1
259.06204	1.4
261.04013	25.5
262.04355	2.3
277.07175	8.7
278.07611	1.3
291.04999	6.9
303.05090	4.3
320.95901	7.5
321.06128	12.3
321.10071	5.6
321.15472	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66763	0.3
58.02974	6.2
59.01384	1.9
62.27471	0.4
63.15321	0.3
65.27271	0.3
66.03497	0.4
69.92966	1.1
69.93378	1.1
71.01368	0.4
71.59678	0.3
72.00916	4.1
79.71475	0.4
82.06638	2.4
85.02975	0.5
90.22892	0.4
91.05541	9.2
96.96032	1.4
98.20163	1.1
112.07705	3.0
118.06640	3.4
124.07716	0.5
126.09245	1.5
129.10358	63.2
130.10750	2.2
135.04523	1.0
147.04543	22.6
148.04869	0.8
153.10359	3.2
154.08760	9.6
155.09052	0.6
164.07179	56.6
165.07524	2.4
171.11407	45.9
172.11848	1.6
183.11465	0.4
204.13911	0.5
216.14046	1.0
231.15050	0.6
233.16585	34.0
234.16917	3.2
275.17679	5.0
276.17822	0.8
277.15491	2.1
319.16629	100.0
320.16965	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	319.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.0
61.98835	0.6
63.14655	0.3
64.20611	0.3
69.25885	0.4
70.96310	0.7
70.96645	0.5
72.99313	100.0
73.99661	1.3
75.00892	1.8
76.96071	0.3
83.75307	0.4
85.02987	0.4
87.00890	1.0
96.73205	0.4
96.96017	0.6
99.92590	0.5
105.01948	44.1
106.02259	1.0
118.43659	0.4
155.14461	0.4
161.00940	10.7
215.93306	0.3
235.14590	1.1
319.17703	5.2
320.18024	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.6
63.29200	0.4
71.01382	2.5
71.70852	0.5
71.71270	0.6
71.95319	0.4
72.99315	0.7
73.02956	0.6
78.95906	1.3
79.95744	2.2
80.96543	1.8
81.24469	0.3
83.01386	0.7
85.02947	1.6
96.96017	79.5
99.00899	0.3
101.02450	2.3
110.98535	1.3
112.98784	0.7
113.02435	0.5
122.97598	1.1
138.97113	1.1
142.99930	0.6
144.06656	1.9
150.97113	1.2
152.98662	0.8
164.98717	0.4
180.98100	2.2
241.00244	5.9
317.05460	100.0
318.05798	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23860	0.4
57.03440	2.5
59.01380	3.9
61.98830	100.0
63.67034	0.5
69.01866	0.5
69.69106	0.7
69.69511	3.6
71.01397	1.4
72.99300	0.6
74.00705	0.5
79.95736	0.7
83.01376	0.8
84.47612	0.4
85.02960	3.1
87.00923	0.6
95.05053	0.7
96.96016	5.9
97.02960	0.7
98.20689	0.9
98.64458	0.5
101.02464	1.0
109.06596	0.8
111.00924	0.8
111.04487	1.0
113.03631	0.6
119.05081	0.8
129.01974	1.4
135.08177	1.9
137.09807	1.3
138.05833	0.5
138.06880	5.7
145.03055	0.7
153.09229	17.7
154.09599	0.8
162.05753	0.6
163.04155	0.5
173.04597	0.6
174.02007	0.7
187.09842	0.9
193.12311	2.5
205.03545	1.1
211.13396	7.2
212.13742	1.1
223.04614	1.8
227.35776	0.5
255.12357	25.3
256.12817	2.1
271.09943	0.7
273.59088	0.5
300.10022	1.0
318.11398	0.7
319.03003	0.6
319.08151	2.3
319.14075	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0857
Annotation	N-Acetyl Sulfamethazine
Peak:m/z	Relative Intensity
52.83961	0.4
57.03440	1.5
59.01384	2.7
67.01891	1.1
70.56951	0.7
71.01405	0.7
73.02949	0.7
74.90339	0.4
79.95738	3.0
85.02947	1.8
95.95252	1.5
96.96022	100.0
101.02437	0.6
101.26956	0.4
111.00902	0.4
112.88726	0.4
120.19231	0.4
123.04460	0.5
128.39452	0.4
128.83672	0.4
129.01994	0.8
151.11296	7.2
152.11530	0.5
165.12842	0.8
167.14464	3.2
179.10799	4.0
188.01390	0.5
193.12305	4.6
195.13910	35.9
196.14241	3.2
201.31166	0.5
203.78838	0.5
205.03409	0.5
221.19110	0.5
226.92224	0.4
239.12886	23.3
240.13196	1.9
275.09497	2.2
285.43115	0.5
301.20154	1.0
319.08569	96.0
320.08917	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	317.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.2
57.03463	0.2
59.01377	1.5
65.39076	0.2
71.01387	2.0
71.11625	0.2
71.71006	0.2
72.68626	0.2
72.99310	0.5
73.02953	0.9
78.95889	0.2
79.95737	2.2
80.96516	1.3
83.01379	0.8
85.02953	1.1
87.00861	0.3
89.02451	0.4
96.96021	78.2
97.95956	0.4
98.34689	0.2
99.00899	0.3
101.02445	2.3
110.98559	0.2
111.02782	0.1
112.98840	0.2
113.02429	0.8
114.57642	0.1
120.01278	0.3
122.97612	0.9
128.07185	0.3
136.07588	0.2
138.97108	1.0
142.99876	0.5
144.06682	0.6
149.73050	0.2
150.97098	1.3
152.98659	0.5
155.05531	0.2
160.58928	0.2
161.04536	0.2
164.98650	0.3
180.98131	2.3
198.99139	0.2
241.00220	6.1
242.00502	0.2
317.05469	100.0
318.05762	6.3
318.11426	0.2
320.90573	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	14.4
59.01677	0.7
60.30909	0.4
61.71347	0.4
70.02995	0.6
71.01393	5.7
79.02049	0.4
80.05054	0.4
84.04560	1.7
94.02991	1.3
95.05019	0.9
96.96011	1.4
97.01701	1.2
98.51292	0.4
112.04061	32.4
113.02420	0.6
113.04395	0.8
122.06148	2.9
124.04060	26.9
125.02431	0.7
125.04394	0.6
131.03477	0.7
139.05162	0.5
140.07201	12.5
149.04588	0.5
166.05122	1.8
184.06161	100.0
185.06505	4.7
219.21355	0.4
273.05225	0.6
316.07462	0.9
316.10617	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61929	0.3
59.01123	0.4
59.01379	2.5
66.61821	0.3
70.02433	1.7
71.01388	2.0
71.85184	0.3
72.99297	0.3
73.02938	1.0
79.95748	1.4
80.96522	1.4
82.76221	0.3
83.01384	0.8
85.02958	2.3
87.00865	0.3
96.96021	70.6
99.00893	0.3
101.02454	2.1
102.79579	0.3
112.76224	0.3
113.02449	0.7
122.97617	1.0
125.40669	0.3
138.97075	1.6
150.97078	1.2
161.31198	0.3
164.51480	0.3
164.98616	0.6
180.98114	1.0
184.06194	0.4
193.36925	0.2
198.99220	0.8
241.00249	3.7
253.60452	0.3
315.07544	100.0
316.07834	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	315.0756
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	0.3
58.56205	0.3
59.01377	2.5
63.39750	0.4
70.62048	1.0
70.96611	0.3
71.01382	1.2
73.02962	0.8
79.95741	2.2
80.07053	0.3
80.96530	1.3
83.01390	0.5
85.02959	1.3
87.00885	0.6
96.04562	0.5
96.70563	0.3
96.96022	93.8
97.95966	0.5
101.02464	2.1
109.02950	0.4
112.04064	0.4
113.02448	0.4
122.97633	0.3
130.08733	1.3
138.97113	0.5
139.04066	0.3
139.06000	0.5
143.11885	1.3
150.97067	0.8
152.98689	0.6
153.01939	1.3
153.05702	0.3
165.01065	0.3
168.98106	1.2
180.98187	1.9
184.02565	0.4
187.10983	0.3
209.12990	0.4
237.17825	0.3
241.00273	3.7
253.11951	0.7
264.89413	0.3
269.11465	0.4
272.04367	0.5
273.05396	0.8
281.17291	0.4
297.10812	0.4
315.07553	100.0
316.07895	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.6
55.48372	0.3
57.03444	0.5
59.01385	2.9
61.95365	0.3
61.98824	0.8
71.01379	1.9
71.14926	0.4
73.02945	0.6
79.95750	2.7
80.43238	0.4
80.96520	1.1
83.01407	0.7
85.02951	2.2
89.02455	0.5
95.01386	0.3
95.95245	0.4
96.96024	86.7
97.95976	0.4
98.32740	0.3
101.02454	2.3
111.00891	0.4
111.10455	0.4
113.02448	0.4
130.08754	0.8
138.97163	0.8
139.05161	1.0
143.11905	0.6
150.97108	0.6
152.98672	0.7
153.01956	1.3
155.87462	0.3
167.03458	0.4
180.98152	2.2
183.04126	0.9
205.02705	0.4
220.47272	0.4
229.73741	0.4
234.77711	0.4
241.00230	4.1
256.74622	0.4
272.04785	0.3
273.05417	0.5
315.07562	100.0
316.07791	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	315.0722
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
57.03436	1.0
58.32828	0.5
58.92032	0.4
59.01378	6.3
59.45274	0.5
61.98832	1.8
65.12632	0.5
71.01382	4.8
71.70776	0.4
71.71165	0.9
73.02945	0.9
75.00868	1.1
77.05053	0.5
78.95918	1.0
79.95788	0.9
80.96503	0.6
81.03474	1.2
83.01389	1.1
85.02956	8.1
86.03300	1.2
87.00883	2.2
87.03367	0.6
89.02461	0.8
93.03478	0.6
95.01382	1.2
96.91379	0.5
96.96021	28.2
96.96925	2.4
99.00874	0.9
101.02430	1.7
102.95236	0.5
108.02184	71.9
109.02981	44.4
109.04060	0.7
110.02470	0.5
110.03313	0.9
112.04051	4.7
113.02463	1.5
120.01232	1.1
120.99682	0.9
121.02975	1.3
122.06147	0.7
122.97673	0.5
123.00883	1.4
123.04531	1.6
124.04060	4.3
128.03609	0.5
128.23842	0.5
129.01936	0.6
131.19876	0.5
133.03011	0.6
134.03761	0.6
135.04565	1.2
136.04039	0.7
138.97050	0.7
140.07193	2.2
147.03008	0.7
149.02429	0.9
151.04044	1.7
152.01172	48.4
153.01961	62.7
153.05579	1.8
154.02284	2.3
155.50813	0.5
163.04050	1.6
164.04807	2.0
165.01941	1.4
167.43605	0.5
169.07736	0.5
179.03468	0.6
179.07167	2.0
184.06172	15.1
191.02112	0.6
218.10301	1.1
227.09335	1.2
241.00249	1.5
315.07318	100.0
316.07550	6.6
316.10895	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21714	0.2
53.52282	0.3
55.01881	0.3
59.01379	2.3
61.14039	0.2
69.77446	0.6
69.77855	1.1
69.78935	0.2
70.84159	0.2
71.01403	1.7
73.02946	0.9
79.95745	1.7
80.96507	1.6
83.01392	0.6
85.02946	1.9
96.96022	66.2
97.95943	0.3
98.20615	0.4
101.02441	1.7
107.63620	0.2
113.02502	0.6
122.97603	0.9
123.04563	0.7
124.04044	0.5
138.97101	1.9
150.97066	0.8
153.05579	1.1
164.98639	0.3
180.98140	1.0
184.06145	1.3
198.99304	0.5
241.00212	3.6
302.38788	0.3
315.07544	100.0
316.07877	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	313.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10317	0.5
50.94916	0.6
55.01876	2.8
57.03447	13.1
57.96289	0.4
59.01097	0.8
59.01376	11.2
61.98824	0.8
70.01416	0.8
70.01831	2.3
71.01392	4.0
72.99305	1.8
73.02937	1.1
75.00872	1.8
83.01390	1.8
83.04475	0.5
84.02161	2.8
85.02957	100.0
85.51125	0.5
86.03282	2.3
87.00890	1.0
89.02423	1.6
96.00859	0.7
96.96034	2.7
98.06113	0.6
98.20615	1.0
101.02461	2.3
103.00381	1.7
107.05062	0.9
108.02160	0.6
108.05682	0.9
109.02934	0.6
111.00885	3.8
121.02958	6.2
121.06567	0.6
129.01959	9.9
134.03722	1.5
135.06821	0.8
147.03009	14.4
148.03294	0.5
149.06053	0.6
161.06015	0.7
163.02502	0.9
173.00941	1.8
175.63205	0.5
189.05605	0.8
191.01988	21.1
191.13042	0.8
192.02295	0.6
193.05005	0.7
221.14087	4.7
223.06120	1.9
227.12903	1.0
237.39859	0.6
249.13515	3.0
253.09291	3.0
295.04770	0.9
313.05850	4.2
313.09137	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51362	0.3
55.01878	2.4
57.03449	14.1
58.00588	0.4
58.80191	0.4
59.01096	0.5
59.01379	9.1
67.04291	0.4
68.99830	0.8
71.01371	2.8
71.29089	1.1
72.99308	1.8
73.02948	0.7
75.00880	2.0
83.01408	1.7
84.02174	2.3
85.02957	100.0
86.03292	1.2
87.00887	1.3
89.02441	0.6
96.96027	1.1
101.02457	1.4
103.00372	1.5
111.00890	2.0
115.00427	1.0
121.02977	7.0
129.01968	8.6
133.05064	0.4
147.03015	12.4
163.02464	0.5
172.44525	0.4
173.00925	1.1
191.01990	18.9
192.02280	0.6
227.12932	0.9
253.09402	0.5
295.01468	0.4
295.04630	0.6
313.05563	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	312.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90236	1.0
57.03452	1.9
59.01386	4.6
61.98828	2.7
71.71860	1.9
83.05052	1.1
108.78339	1.2
113.09747	3.8
114.10077	3.0
121.10246	1.1
134.03764	2.7
139.11301	10.9
140.11641	10.2
148.25119	1.0
153.09152	1.0
156.11086	1.1
167.10741	1.0
171.10277	14.7
172.10605	13.8
173.10828	1.0
193.04979	1.5
212.13800	2.2
213.27803	1.1
227.29102	1.0
250.22606	1.7
253.09296	1.3
292.20035	1.1
294.21564	38.2
295.21973	1.8
312.22586	100.0
313.23395	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29521	0.8
51.28546	0.9
57.03448	1.7
59.01380	5.5
61.31666	1.0
61.98828	3.6
71.01393	1.2
71.64304	2.1
83.05036	1.0
85.02972	2.0
89.02436	1.0
97.06644	1.0
118.45940	0.9
121.02975	2.4
123.30632	1.0
127.11308	3.6
128.11668	2.2
134.03772	1.5
139.11296	8.4
140.11635	6.9
155.10719	1.3
156.11154	1.6
171.10281	32.2
172.10628	27.4
173.10716	1.1
183.10294	1.8
184.10620	2.7
185.11877	6.3
186.12181	8.9
193.05132	1.4
201.09747	1.1
201.11316	5.2
202.11684	4.5
212.13786	1.0
215.58559	1.0
250.39188	0.9
276.20544	5.4
284.79373	1.0
294.21588	24.2
312.22610	100.0
313.23322	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2227
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
51.76814	0.4
57.03441	0.7
59.01385	3.0
70.59268	1.6
87.05758	0.4
92.74875	0.4
94.12353	0.5
97.06610	1.1
123.08189	0.9
125.06132	0.8
125.09733	4.0
139.11301	1.5
141.09229	1.7
141.12843	0.9
143.10780	0.7
149.57483	0.4
151.07600	0.4
153.09212	1.2
155.14464	1.4
157.12321	1.0
169.08635	0.5
171.10281	1.8
183.01262	0.4
183.13904	0.8
199.09741	0.6
200.10510	2.5
249.22229	2.6
254.83064	0.4
265.21744	1.2
267.23132	1.3
275.20129	1.0
283.23074	0.4
293.21210	6.6
294.21655	0.8
311.22275	100.0
312.22644	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27413	1.4
56.47385	1.3
57.78461	1.5
59.01378	32.2
61.98832	4.4
70.20309	1.5
70.96143	2.3
70.96480	1.9
71.01386	1.8
81.14256	1.4
87.00875	1.6
87.53256	1.5
89.45255	1.5
150.11749	1.4
156.03754	1.6
161.04573	1.5
171.10284	3.1
177.12910	2.4
183.01230	3.0
195.13919	3.3
249.22188	2.8
251.11316	4.1
278.28131	1.8
293.21231	60.1
294.21484	8.4
310.15707	1.4
311.09210	3.8
311.16714	6.4
311.22269	100.0
311.29572	6.9
312.22498	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	311.2228
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
52.68365	0.3
54.74496	0.4
57.03435	0.3
59.01385	4.0
59.08998	0.4
60.23719	0.3
61.98838	0.4
62.05197	0.3
67.59032	0.3
69.96164	0.6
69.96579	1.4
71.01386	0.5
78.29389	0.4
79.95743	0.4
85.02947	0.3
97.06635	0.5
99.08220	0.4
101.00808	0.3
113.09737	0.9
113.30892	0.3
115.07664	1.3
127.07650	0.9
128.08466	0.7
167.14426	3.1
171.10190	0.3
183.01292	0.7
183.13937	2.6
195.13919	10.0
196.14243	0.5
211.13440	1.2
213.14978	1.6
216.71202	0.3
220.27925	0.4
241.14627	0.4
242.15259	1.0
242.34792	0.3
249.22278	1.0
251.11342	0.7
265.21661	0.6
267.23160	0.7
275.20242	0.4
283.22684	0.7
293.21228	8.3
294.21555	0.8
300.12482	0.3
311.22281	100.0
312.22626	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	311.1862
Annotation	(+)-Neomethynolide
Peak:m/z	Relative Intensity
50.32681	0.9
53.93641	0.8
55.67881	0.9
59.01377	18.0
59.97004	0.9
61.98830	1.9
71.01402	2.3
71.65291	1.4
96.96032	1.5
117.13320	0.8
121.02046	0.9
121.02938	1.4
122.03814	1.3
123.04540	1.1
128.40402	0.8
139.06776	1.0
161.04637	1.0
167.14502	1.6
183.01294	0.9
197.71007	0.9
210.90749	0.9
223.20741	2.3
249.18546	4.2
251.11444	2.7
267.19638	100.0
268.19946	8.8
275.16498	8.8
293.17596	32.3
293.20905	2.2
294.17828	5.2
311.18713	46.2
311.22238	6.6
311.29642	3.6
312.19177	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	311.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40831	0.7
59.01381	15.8
61.98832	3.6
69.03452	0.9
70.88399	1.5
70.88771	1.7
71.01385	1.4
73.78342	0.7
77.95834	0.7
85.85936	0.8
86.42319	0.8
101.02458	0.9
112.83269	0.8
139.11295	3.2
154.09944	1.5
161.04597	1.1
167.14461	1.4
171.10223	4.3
177.12801	2.8
183.01167	1.2
195.13924	3.0
196.14613	1.6
211.13280	2.1
230.78874	0.8
249.22173	1.9
250.22566	0.8
251.11353	2.4
293.21219	66.7
294.21640	6.1
303.13712	0.8
311.22275	100.0
311.29474	4.6
312.22592	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	311.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98655	0.5
57.03447	1.2
58.00586	0.5
59.01373	8.1
61.98813	1.5
63.43498	0.5
69.03435	0.6
70.64397	1.9
70.64777	0.9
71.01375	0.9
83.05020	0.9
85.18082	0.5
86.12399	0.5
92.56789	0.5
99.08169	0.9
101.02441	0.5
111.08162	0.6
113.09735	0.7
115.00255	0.5
121.10254	1.1
123.08163	0.9
125.09721	2.6
127.11290	3.9
129.09274	1.4
137.09775	0.8
139.11316	8.1
141.12799	0.8
151.11259	0.9
153.09261	0.6
155.10771	2.3
156.14299	0.5
165.09235	1.1
169.12373	0.9
171.10278	44.5
172.10579	1.8
181.12329	1.0
183.01239	1.0
183.10289	3.2
183.83997	0.6
185.11836	6.7
186.12019	0.8
193.12413	0.6
197.11806	1.8
199.13441	1.1
201.11342	9.5
202.11635	0.6
211.13374	4.6
251.11420	1.3
265.21646	1.1
275.20117	3.6
293.21222	14.0
294.21561	1.3
295.28445	0.6
308.62830	0.6
311.22266	100.0
312.22644	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	311.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.8
59.01376	100.0
60.01710	1.5
61.23672	0.5
61.98841	2.9
71.01379	9.2
71.70977	0.8
72.99299	1.2
73.02948	3.0
75.00868	0.9
78.95920	0.7
83.01408	1.4
85.02956	8.5
87.00904	0.6
89.02438	2.8
93.03471	0.6
95.01416	0.5
96.96028	0.8
96.97022	0.6
97.02988	0.5
99.00929	1.5
101.02455	8.3
108.02164	1.0
109.02955	1.3
113.02458	3.7
119.04986	0.7
121.03002	1.4
123.04554	1.6
129.01932	0.6
132.98668	0.5
134.03766	2.2
135.04561	2.9
143.03517	0.7
143.05078	1.1
147.03059	1.6
148.05386	1.1
149.06117	2.1
151.04097	0.5
159.03040	1.0
161.04593	8.3
161.06094	1.8
163.04059	0.9
165.04062	1.2
171.04588	1.7
177.05676	0.6
189.05583	8.3
189.07158	0.8
193.05096	1.5
207.06696	1.1
249.07742	1.0
251.11351	22.3
252.11693	1.1
311.04575	0.7
311.07864	1.9
311.29556	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.8
57.03455	2.1
59.01378	100.0
59.21869	0.5
60.00630	0.6
60.01714	1.0
61.98826	1.4
69.03457	0.8
70.88536	1.5
70.88910	0.6
71.01385	11.2
72.99304	1.4
73.02943	3.3
75.00889	2.3
83.01395	1.6
85.02956	20.4
87.00903	1.8
89.02466	2.4
95.01399	1.6
95.39822	0.5
96.96061	1.6
97.02972	0.7
99.00896	1.4
101.02459	8.0
108.02216	0.9
109.02998	1.4
113.02459	5.0
113.07776	0.6
115.00365	0.6
119.05025	1.3
121.02970	4.8
123.04536	2.1
129.01939	0.6
133.02963	1.0
134.03769	1.7
134.51247	0.6
135.04594	2.7
143.03464	0.8
143.05072	0.9
145.03003	1.2
147.03004	6.4
149.06087	2.0
151.04045	0.8
159.03052	1.2
161.04596	10.4
161.05954	1.2
163.04068	1.9
171.04556	1.5
177.05588	0.8
188.04755	0.7
189.04024	1.2
189.05591	8.7
190.06023	0.8
193.05182	0.9
207.06728	1.2
211.75919	0.6
221.04523	0.6
223.08096	0.6
229.45549	0.6
249.07463	1.0
251.11357	22.6
252.11751	1.7
267.08890	0.6
293.06476	0.6
306.40665	0.6
311.07471	5.6
311.13327	0.6
311.29474	1.0
312.08051	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.3
58.63313	0.7
59.01377	1.4
69.03464	2.8
70.07384	0.7
70.73087	0.8
71.10882	0.9
71.11217	1.7
81.03447	1.1
83.05016	1.3
84.02172	1.0
95.01388	1.1
95.05102	0.8
97.02963	18.5
97.06605	1.1
99.00864	4.0
109.06597	2.1
110.03824	0.9
111.08145	1.2
119.08667	2.6
123.00897	0.8
123.04489	1.2
123.08216	1.1
125.09736	2.8
127.11320	1.0
137.09727	8.6
141.12849	1.1
151.04031	11.1
151.07664	18.5
152.08447	22.4
153.09233	0.8
155.10886	1.6
161.59557	0.9
162.10600	1.2
163.11285	3.9
165.12814	4.3
171.10271	17.2
175.07634	0.9
177.12828	1.4
179.14426	2.9
181.12326	1.5
184.07397	3.2
185.11838	2.8
190.09906	1.7
193.08745	1.5
193.15991	1.6
208.11044	2.8
209.11948	1.8
209.15469	29.8
209.17470	1.5
210.15823	1.3
211.13513	0.9
213.38075	0.9
221.11853	2.9
223.13396	3.0
239.12848	2.9
247.16866	1.8
247.20631	6.4
252.10039	4.9
263.20062	1.0
265.18048	6.8
273.18579	4.1
291.16229	3.8
291.19626	69.7
292.19943	7.2
309.17059	53.6
309.20703	100.0
310.17413	6.9
310.21036	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	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53491	0.6
54.92384	0.6
57.03444	1.7
59.01384	3.0
71.01395	0.8
71.05025	1.1
80.96483	0.7
93.94280	0.5
98.20657	1.1
109.06589	0.7
111.08157	1.8
125.09721	1.5
127.11328	1.3
129.09215	0.6
136.90164	0.6
137.09781	0.6
149.09683	0.9
151.07637	2.2
151.11275	1.0
152.08406	1.6
153.09171	1.0
153.12877	3.3
155.10794	1.2
165.12744	0.6
167.10785	1.4
169.12193	0.8
171.10248	0.7
179.14386	1.3
181.12306	3.5
186.42055	0.6
193.16002	1.1
197.11841	2.5
199.09702	1.1
207.13904	1.7
209.15451	2.4
215.12984	1.1
227.13078	0.6
228.13614	0.6
247.20671	4.5
263.20193	1.3
265.18094	1.0
265.21774	1.4
273.18604	2.4
281.21204	0.9
291.19629	27.8
292.19949	2.6
297.19904	0.6
309.17337	5.9
309.20688	100.0
310.17493	1.2
310.20999	9.9
332.09607	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75064	0.6
59.01377	5.5
61.56293	0.6
70.77769	0.6
71.01382	2.3
72.99322	2.1
73.02952	7.0
75.00871	10.0
79.95744	0.5
85.02943	1.0
87.00885	10.6
89.02456	2.4
89.03986	1.7
96.96008	3.5
97.84045	0.5
117.01957	17.8
117.03436	7.5
119.05042	1.7
121.02980	1.6
122.12687	0.5
125.86245	0.6
129.01955	0.9
133.02966	0.8
134.03755	74.7
135.03026	36.2
135.04134	3.8
136.03326	0.9
137.02480	2.1
139.04027	0.7
149.02452	0.6
149.04787	1.1
149.06097	6.3
160.01711	1.4
163.03972	3.9
166.74098	0.6
175.04007	1.5
178.02737	4.9
179.03099	0.6
189.05592	0.7
193.05064	100.0
194.05420	5.4
216.96704	0.6
221.04593	0.9
223.06129	0.7
229.89246	0.7
311.08008	3.9
311.11325	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
59.01373	23.5
61.98826	6.0
63.59027	3.6
71.01376	5.9
71.05010	16.1
71.43490	7.0
73.02943	4.6
73.37287	2.9
83.46983	2.8
84.38635	2.8
96.96018	16.3
97.06580	9.5
99.00900	22.0
101.02438	8.8
101.30824	3.1
111.08161	4.8
119.05044	5.7
121.10243	3.8
125.09762	7.1
137.09727	17.0
138.79099	2.9
151.07715	4.5
152.08388	5.9
163.02560	3.6
163.03969	8.4
169.12172	3.4
171.10260	56.7
172.10634	4.5
185.11844	7.3
197.11809	7.6
207.13849	3.7
209.15407	10.6
221.08177	3.9
226.41801	3.4
233.15489	3.6
237.14883	4.9
242.60948	3.9
251.16568	20.8
265.18057	6.1
273.18381	3.4
291.19672	71.3
291.24554	3.3
292.20007	9.0
309.04303	3.5
309.17172	13.3
309.20670	100.0
310.21066	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	2.7
59.01365	2.4
67.31519	1.2
68.94235	1.0
69.03443	5.1
69.85814	6.3
83.05013	1.4
100.84914	1.2
107.08648	2.2
119.08675	13.6
119.81219	1.0
121.10199	1.3
125.09732	7.3
127.11285	4.1
135.08194	2.9
137.09735	30.3
138.10091	1.2
151.07594	1.8
151.11281	1.3
152.08401	2.4
153.65646	1.2
155.10724	3.5
155.93036	1.1
167.10730	3.0
171.10283	100.0
172.10579	7.1
183.10280	6.8
185.11839	21.7
197.11783	2.1
201.11353	8.6
209.15408	1.7
211.13336	1.4
213.11313	9.8
229.19568	2.4
261.71036	1.1
273.18536	10.1
291.19632	35.0
292.19946	2.9
309.17154	4.8
309.20673	47.9
310.21014	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.0
70.35212	0.6
71.03497	2.1
90.22773	0.6
97.06609	2.4
113.09721	2.0
114.76855	0.7
115.07644	0.8
125.06104	1.2
139.11261	0.8
141.09293	1.3
151.11169	0.9
152.08484	0.6
165.12804	3.3
167.14433	1.5
181.12312	3.6
183.13921	0.9
193.12337	1.7
195.13902	2.0
211.13416	3.7
213.14940	0.8
221.15453	1.2
240.13718	1.6
247.20638	3.7
273.18546	2.1
281.21262	1.4
289.43951	0.7
291.19662	39.0
292.20041	5.0
309.20712	100.0
310.21002	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	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08582	0.9
57.03444	1.6
59.01377	7.8
61.98805	1.4
67.01875	1.2
67.64040	0.9
69.03442	1.9
71.01363	2.0
71.05006	3.1
71.33469	2.4
79.95756	1.4
80.02689	11.5
81.03458	4.7
83.05028	25.7
84.02177	11.7
85.02953	1.1
85.06593	1.2
95.05033	2.4
96.96009	2.4
97.02946	1.7
97.06580	4.3
99.08157	8.8
106.56639	1.0
109.06575	2.7
111.08121	1.3
113.09708	1.7
115.07647	3.8
118.97012	1.2
123.04491	3.3
123.08147	1.5
125.09727	5.8
127.11270	4.8
135.08121	1.5
137.09743	49.3
138.10074	1.6
139.11301	9.1
141.99164	1.0
142.02710	1.6
151.04007	2.7
151.07683	7.5
151.11288	5.8
151.12358	0.9
152.08386	4.7
153.09238	9.2
153.12831	1.9
154.09976	2.4
155.10800	52.4
156.11104	2.3
163.11131	1.2
165.12869	1.9
167.10757	4.0
169.12340	3.1
171.10284	49.6
172.10603	2.7
184.07396	1.3
193.12361	22.0
193.16161	1.3
194.12590	1.3
195.13820	2.1
209.11852	5.5
209.15480	10.5
211.13379	3.7
221.11789	2.1
247.20615	8.1
252.10014	1.7
263.20016	5.5
265.18512	2.1
265.21701	26.5
266.22156	2.0
273.18655	1.9
281.21133	2.0
291.19641	94.3
292.19986	11.2
309.16983	14.7
309.20639	100.0
310.17578	1.6
310.20944	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	309.2071
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
55.01860	1.8
57.03439	4.0
59.01390	14.3
59.08314	1.7
61.98823	6.3
69.46054	8.4
69.46489	7.6
71.01389	3.7
71.05031	13.9
74.42770	1.7
79.95745	2.5
83.05043	2.0
84.55116	1.8
93.07104	1.7
96.52763	1.6
96.96011	10.8
96.96971	1.8
97.06598	7.2
98.20605	2.9
100.78924	1.6
101.02452	4.4
119.05034	2.8
121.10281	10.1
123.08188	2.2
124.38346	1.6
125.09746	7.3
134.00638	1.7
137.09752	16.6
163.03905	3.6
171.10274	36.4
172.10678	2.3
185.11819	16.2
194.56528	1.7
197.11743	4.2
209.15573	1.7
235.17044	2.6
237.14929	2.8
251.16515	35.6
252.16811	2.9
266.06375	3.0
266.56619	2.0
291.19653	88.6
292.19949	9.9
309.13690	3.6
309.17496	4.7
309.20703	100.0
310.21088	10.0
310.68103	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51579	0.9
59.01376	1.7
70.54954	2.7
71.01387	23.1
79.95736	1.3
80.13716	0.7
89.03981	2.0
96.96022	10.4
115.00378	10.9
117.03486	7.6
118.03964	0.8
121.02908	0.7
133.01440	10.7
133.32799	0.7
134.03758	85.9
135.04088	4.5
137.02434	1.6
139.66661	0.7
149.06084	7.0
159.97668	0.9
170.87927	0.8
178.02766	5.1
193.05070	100.0
194.05392	6.4
229.92990	0.7
266.06476	7.7
266.56586	1.8
267.06552	1.6
277.42792	0.8
287.07245	0.9
309.10532	0.8
331.24240	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.3
60.71931	0.4
70.03375	2.4
71.01385	24.8
79.95727	0.7
85.02998	0.6
88.52801	0.4
89.03981	1.8
96.96019	5.5
98.20641	0.5
98.95602	0.9
103.42031	0.5
115.00386	10.3
117.03489	7.9
133.01456	5.5
134.03757	82.5
135.04103	4.2
137.02438	1.8
139.04019	0.6
149.06088	6.2
159.97586	0.6
178.02710	5.4
193.05066	100.0
194.05440	6.8
220.40691	0.5
266.06488	5.8
266.56601	0.7
267.06384	0.7
303.54565	0.5
309.06546	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03889	0.6
59.01378	100.0
60.01715	1.7
61.98820	1.1
69.54147	3.9
69.54558	1.4
71.01393	1.5
73.02970	0.9
83.05049	2.1
87.04507	1.3
89.95994	0.6
96.96035	4.2
98.20061	2.0
101.02460	2.1
111.67255	0.7
118.75089	0.6
119.05093	1.2
122.11427	0.6
150.06879	0.8
155.00389	0.6
161.13387	7.6
163.03967	1.3
205.12347	38.6
206.12666	3.4
223.13440	1.5
242.59979	1.1
249.11383	2.4
266.06570	1.8
309.13724	1.1
309.17175	1.5
309.28452	0.8
310.20334	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84038	0.6
53.19142	0.5
54.58668	0.6
59.01377	100.0
60.01706	1.3
69.60690	4.3
73.00873	0.5
74.39982	0.5
87.41537	0.7
92.75845	0.5
96.96027	1.5
106.22804	0.5
150.06895	0.9
161.13374	8.8
162.13693	0.7
205.12338	32.6
206.12704	2.4
223.13412	1.4
230.14813	0.6
249.11217	2.5
268.91342	0.5
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	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
57.03427	2.6
57.79177	1.9
58.69590	1.9
59.01387	21.2
61.98838	4.7
71.01395	4.2
71.05022	19.1
73.02955	4.5
80.96500	2.5
87.00870	2.3
96.96008	9.1
97.06589	5.9
101.02463	4.3
107.05051	2.7
119.05044	3.4
119.08683	2.6
119.12997	1.9
121.10256	13.0
125.09734	11.4
137.09740	18.0
140.50003	1.9
163.03979	4.9
171.10291	47.3
172.10623	2.6
185.11815	15.6
197.11888	3.4
207.13972	2.0
209.15582	2.2
219.13957	2.5
227.17532	2.2
237.15036	3.0
247.20523	2.1
251.16522	41.3
252.16797	3.0
266.06589	2.8
273.18661	3.6
291.19653	90.2
292.19943	11.3
309.13715	3.9
309.17410	4.4
309.20715	100.0
310.21164	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	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.6
59.01376	7.6
61.98820	2.2
69.03449	0.9
71.01369	2.1
71.66772	1.3
83.05045	1.5
84.22340	0.9
85.02930	1.0
85.87921	1.0
95.05019	1.4
96.96027	2.4
97.02931	0.9
99.08162	1.2
108.00050	0.8
109.06586	2.5
111.08171	2.9
121.03014	1.0
123.04512	1.1
123.08195	1.1
125.09702	1.7
127.07655	3.5
128.07193	1.0
137.02394	1.0
137.09749	2.1
149.09717	1.4
151.11298	4.8
153.09207	1.8
155.10808	4.7
163.11282	2.0
167.10786	1.4
169.12357	2.0
177.12871	2.5
179.10765	1.3
181.10545	0.9
181.12253	1.8
191.14407	3.4
197.11856	1.1
205.12213	1.4
209.25014	0.9
230.79419	1.0
233.15662	1.3
239.09164	2.2
245.19110	18.7
251.20113	1.3
259.82104	1.1
261.18576	1.5
263.20102	3.7
271.16904	1.7
279.19598	1.7
289.18076	37.2
290.18378	3.1
307.19144	100.0
308.19443	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	307.1915
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
57.03440	3.2
57.91177	0.7
59.01371	5.5
69.03443	1.3
71.05013	1.5
71.43989	1.5
80.02673	1.6
81.03458	2.6
83.05058	0.7
95.05051	1.8
96.96022	2.1
97.02959	2.9
97.06596	2.6
106.04227	1.1
107.27685	0.9
109.06600	4.9
111.04541	1.6
121.06613	2.1
123.04565	4.1
123.08188	2.3
125.06165	0.9
125.09736	6.7
135.08163	2.2
137.06107	1.3
137.09760	5.7
141.12878	2.3
145.06635	1.2
149.06084	1.9
151.11325	2.1
163.07690	1.0
163.11324	7.9
165.12871	1.7
165.23235	0.7
167.10886	0.9
171.10249	2.1
177.12906	0.9
179.10756	1.5
179.17525	0.9
181.12318	2.2
185.11859	12.3
191.14423	13.4
207.10278	7.3
217.15907	1.5
225.11320	7.3
226.11891	1.2
245.19093	29.9
246.19485	2.4
261.18698	1.1
265.18130	0.9
271.17020	2.3
289.18088	100.0
290.18457	8.8
307.19159	51.2
308.19373	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1915
Annotation	14,15,-Bisnor-8(17)-labdene-16,19-dioic acid
Peak:m/z	Relative Intensity
53.29230	4.6
54.28361	4.5
57.03443	9.2
58.02687	4.6
59.01381	29.0
61.98819	5.8
63.66455	5.2
69.03448	7.4
71.01398	16.0
71.72945	4.7
71.73315	5.1
72.48919	4.3
72.99313	56.3
75.24136	4.3
81.15981	4.4
83.05029	9.0
85.02956	6.8
86.33614	5.4
96.96007	11.2
97.06620	18.4
108.63025	4.2
109.06602	7.7
111.08157	6.2
121.68179	4.4
123.08146	7.0
137.09732	5.5
145.44807	4.9
149.09746	5.3
151.11299	16.0
155.10791	8.2
165.12880	20.0
167.10747	4.9
179.10799	11.0
181.12379	30.1
191.10829	13.2
191.14363	8.2
209.11876	50.0
245.19048	23.8
263.20285	7.7
289.18082	100.0
307.19125	78.8
308.19601	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	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.3
55.65845	1.2
57.03439	6.3
59.01382	12.1
65.38616	1.2
67.01879	1.8
69.03452	2.9
69.46910	5.2
69.47335	6.7
71.01392	1.9
71.05006	1.3
79.95747	2.4
80.02655	3.1
81.03473	8.0
83.01394	7.9
83.05025	5.4
85.02966	1.9
93.03479	1.7
95.01398	1.4
95.05025	4.4
97.02966	5.7
97.06615	10.4
103.50755	1.3
106.04260	1.5
107.04995	1.2
109.02999	2.0
109.06626	3.2
119.08652	1.8
121.06581	2.8
121.10249	1.4
123.04538	11.8
123.08211	6.1
125.06110	1.7
125.09743	21.2
135.08156	4.3
137.06099	2.8
137.09746	18.0
141.12856	4.3
142.02716	3.3
149.06085	2.7
149.09747	1.6
151.11293	1.3
161.09746	1.7
163.07602	2.4
163.11301	18.8
165.09198	1.3
165.12830	4.4
167.09447	1.1
167.10779	4.3
171.10251	2.3
177.12823	2.7
179.10725	2.6
181.12384	6.5
185.11841	26.9
189.12692	1.6
191.10782	4.8
191.14426	23.6
192.22845	1.3
207.10243	12.7
209.11838	58.0
210.12131	3.7
211.13319	2.2
217.15997	2.8
225.11307	11.5
226.11963	2.3
233.15436	1.4
245.19083	51.7
246.19408	6.1
263.20050	3.7
271.17029	4.3
279.19608	1.6
289.18091	100.0
290.18457	10.3
307.19113	55.8
308.19275	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91666	2.3
57.03450	17.5
59.01382	18.6
61.98822	5.0
69.03460	4.8
70.96523	7.9
71.01373	14.6
72.98683	2.6
80.02694	3.1
81.03455	3.7
83.05065	8.4
93.03517	3.3
93.07152	3.7
95.05063	4.1
96.22055	2.9
96.96014	8.0
97.06593	20.7
106.04250	7.1
107.05070	3.0
109.02953	4.2
109.06580	7.9
111.08176	13.3
119.05073	3.5
121.02986	2.9
121.06614	19.3
123.04540	5.9
125.09738	18.9
128.07190	2.8
135.08162	6.6
137.09753	6.0
141.56235	2.6
151.11313	29.1
153.09224	12.5
153.12808	3.9
155.10786	10.9
163.11292	7.5
165.12874	35.3
166.13277	3.9
167.10796	7.1
171.10294	46.3
177.12811	3.7
179.10809	10.0
181.12354	45.8
185.11841	54.4
191.10750	19.4
191.14458	7.8
197.11893	3.5
209.11823	100.0
210.12183	4.8
211.13397	9.5
212.10526	5.8
227.12979	3.6
227.18007	3.0
245.19067	40.5
246.19550	3.8
261.18634	9.2
263.16699	2.7
263.20071	16.3
271.17056	4.4
279.19702	14.2
289.18069	51.1
290.18472	4.8
299.72675	2.8
307.19168	87.6
308.19360	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.5
57.03448	4.4
59.01378	6.3
60.63037	0.3
68.17802	0.3
70.91788	1.1
71.01369	0.9
72.99300	0.7
79.95745	2.4
81.95325	0.8
83.01395	0.4
84.02177	0.5
85.02959	25.4
86.03311	0.3
95.95263	0.9
96.96020	100.0
97.96001	0.4
98.95601	4.1
98.96441	1.0
101.02419	0.4
111.00882	1.4
115.07664	1.4
115.57272	0.3
127.84005	0.3
129.01971	2.0
133.02942	0.9
134.03317	0.7
145.02974	0.8
146.04630	0.7
147.03029	1.5
161.91335	0.3
164.17699	0.4
191.01985	7.1
192.02219	0.4
195.06535	0.8
196.06973	0.3
209.03023	0.4
210.09003	0.6
227.12943	2.7
275.09802	0.4
289.11163	1.2
307.08673	8.1
307.12201	85.2
308.09033	0.4
308.12485	7.0
315.35498	0.3
323.18051	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.6
55.18225	0.3
57.03450	4.7
59.01375	3.4
60.54500	0.3
69.76775	1.6
69.77184	0.6
71.01381	1.0
72.99310	1.1
75.00837	0.5
77.75141	0.3
79.95748	2.4
83.01392	1.1
84.02181	1.0
85.02959	35.0
86.03313	0.5
87.00878	0.5
95.95257	0.9
96.96020	100.0
98.20712	0.3
101.60373	0.3
103.00364	0.4
111.00899	1.7
115.07686	2.0
117.03452	0.5
124.31507	0.3
129.01942	3.5
145.02953	1.5
145.21393	0.3
147.03027	3.3
173.00931	0.7
181.07092	0.3
191.01984	9.8
192.02312	0.5
209.03056	0.6
268.43747	0.3
300.41174	0.3
307.12216	92.8
308.12582	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	307.1915
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
50.79451	1.6
53.22740	1.6
55.01876	3.6
57.03450	3.9
59.01382	12.2
61.98835	5.5
65.03968	61.3
65.04906	1.9
65.58430	1.8
70.64693	6.8
71.01414	1.8
71.05029	37.5
77.03631	1.6
80.73949	1.7
83.05038	3.2
85.02960	1.9
96.96047	3.9
97.06602	70.4
98.06943	2.5
106.56532	1.5
117.07168	1.6
119.08692	13.5
121.06612	100.0
122.06958	4.1
123.08167	3.5
124.16920	1.9
125.09736	42.1
135.08180	5.6
137.09770	3.2
141.12878	2.8
153.03502	1.7
155.61188	2.0
171.10301	4.9
185.11850	82.7
186.12192	4.6
209.11833	34.7
210.12144	3.3
211.13419	36.0
212.13741	3.5
217.12383	2.3
235.13390	94.9
236.13702	7.9
245.19150	2.0
249.14987	3.8
289.18100	25.5
293.33401	1.7
307.15994	1.4
307.19156	35.1
308.19476	3.4
320.74927	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	307.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34612	0.6
55.01869	1.8
57.03449	9.1
59.01377	16.2
60.01735	0.5
69.55297	5.0
69.68610	0.5
71.01389	2.3
72.99302	0.9
75.00877	1.2
79.95753	1.8
83.01382	1.8
84.02166	1.4
85.02958	69.0
86.03311	1.3
87.00862	0.7
95.95290	0.5
96.96019	100.0
101.02416	1.2
103.00385	0.8
111.00875	2.3
115.07668	3.5
129.01088	0.6
129.01968	6.4
145.02960	1.8
147.03030	6.5
156.56978	0.6
167.10814	0.6
173.00879	0.9
191.01988	20.5
209.03061	0.7
227.12880	8.1
307.08487	28.4
307.12122	57.3
308.08762	2.9
308.12509	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	307.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34612	0.6
55.01869	1.8
57.03449	9.1
59.01377	16.2
60.01735	0.5
69.55297	5.0
69.68610	0.5
71.01389	2.3
72.99302	0.9
75.00877	1.2
79.95753	1.8
83.01382	1.8
84.02166	1.4
85.02958	69.0
86.03311	1.3
87.00862	0.7
95.95290	0.5
96.96019	100.0
101.02416	1.2
103.00385	0.8
111.00875	2.3
115.07668	3.5
129.01088	0.6
129.01968	6.4
145.02960	1.8
147.03030	6.5
156.56978	0.6
167.10814	0.6
173.00879	0.9
191.01988	20.5
209.03061	0.7
227.12880	8.1
307.08487	28.4
307.12122	57.3
308.08762	2.9
308.12509	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	307.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42686	0.2
55.01886	0.6
55.46153	0.2
57.03443	2.4
59.01374	1.9
67.92712	0.2
70.48664	0.8
71.01371	0.7
79.95737	1.8
83.01420	0.3
85.02956	19.1
86.02467	0.3
95.95244	0.8
96.96021	100.0
98.20590	0.4
101.02428	0.3
115.07664	0.9
117.03474	1.0
123.56571	0.2
128.03555	0.5
129.01964	1.4
143.04643	0.6
145.02977	4.3
147.03017	0.7
161.04541	0.5
191.01982	3.5
228.46829	0.3
234.89964	0.3
273.09091	0.4
307.12198	89.1
308.12543	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	307.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91110	1.4
51.47161	1.3
53.72214	1.5
57.03454	1.4
59.01375	6.8
70.28746	1.5
71.01384	3.4
71.72670	2.1
72.00903	2.0
72.04544	25.4
73.26272	1.5
79.95728	7.0
85.02950	3.6
87.00900	2.0
87.05642	11.6
88.04050	13.7
90.39495	1.5
91.05542	13.0
95.95219	1.7
96.96021	27.3
96.96605	2.7
97.04084	4.2
99.05655	8.0
100.04056	100.0
102.98614	1.8
109.04115	3.2
113.03584	2.8
114.01991	4.1
115.05150	99.6
116.05554	2.1
118.06642	3.9
118.63339	1.5
120.99677	2.4
129.96608	1.4
135.04510	1.8
138.97060	1.8
144.03044	53.4
147.04538	6.3
152.81767	1.7
158.06160	1.9
159.97653	5.4
164.07191	1.8
168.98170	2.1
173.07170	2.5
174.05640	2.0
176.07184	17.3
178.17314	1.5
189.06642	2.9
190.05124	4.5
201.10385	10.3
219.11417	4.3
220.06235	3.6
235.10886	61.5
236.11176	4.7
237.14468	1.5
240.58589	1.8
241.00302	2.9
244.12691	1.5
245.09314	26.6
246.09712	1.8
261.08798	5.3
263.10352	20.3
265.05688	21.5
289.08282	5.8
307.09140	6.1
307.12579	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.5
59.01368	0.6
61.01018	15.7
68.76899	0.3
69.03456	0.7
69.88852	2.1
71.01366	0.8
73.02942	1.3
85.02944	1.6
87.00874	0.7
87.04517	1.8
89.02444	2.3
96.96974	0.5
99.02606	1.1
101.02455	2.6
101.03006	0.4
113.02485	0.3
113.04143	2.2
114.05608	1.3
115.02101	15.9
116.02435	0.4
123.55675	0.4
128.03546	1.0
128.07170	1.0
129.03665	1.7
131.03479	1.2
133.05054	1.0
144.06764	0.5
148.54729	0.4
149.04561	3.7
156.03516	0.5
157.03148	37.1
158.03465	1.1
174.04506	0.5
175.04195	32.1
176.04539	1.1
245.08354	0.8
247.06239	1.3
295.04321	0.3
307.08417	100.0
308.08801	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	307.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56214	0.2
57.03454	1.4
59.01378	1.5
60.02833	0.2
61.01021	11.9
61.98831	1.2
68.99596	0.2
69.03459	0.7
71.01389	1.3
71.70824	0.2
73.02955	0.5
75.00864	0.3
78.95912	0.3
83.01400	0.2
85.02964	2.5
87.00878	0.9
87.04520	1.8
89.02448	2.6
96.96984	0.4
99.02618	0.8
101.02448	2.1
101.64769	0.2
103.03999	0.2
106.64295	0.2
109.08895	0.2
111.02026	0.4
111.04485	0.2
112.98714	0.3
113.02448	0.6
113.04180	2.3
115.02102	12.7
116.02439	0.3
120.01277	1.1
128.03558	0.6
128.07195	7.0
129.01971	0.2
129.03673	1.5
131.03508	1.2
131.05182	0.3
133.05095	3.5
142.99895	0.3
146.04669	0.3
149.04568	3.2
150.04825	0.3
156.03574	0.5
157.03152	31.4
158.03532	0.9
174.04549	0.5
175.04198	33.5
176.04553	0.9
181.43059	0.2
185.06119	0.3
187.04112	0.2
205.03551	0.5
229.05252	0.4
245.08380	1.1
247.06302	1.2
248.06697	0.2
289.07449	0.3
307.08435	100.0
308.08774	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	305.1065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45571	0.2
56.20596	0.2
63.23189	0.2
71.18776	0.2
71.19117	0.6
76.70831	0.2
79.95734	2.4
95.95255	0.8
96.96021	100.0
97.95956	0.5
133.06931	0.3
156.87810	0.2
215.98116	0.2
218.30302	0.2
305.10632	76.9
306.10931	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	305.1757
Annotation	Corrin
Peak:m/z	Relative Intensity
57.03439	2.0
59.01371	11.2
61.98830	8.6
67.82161	1.7
69.03476	2.2
71.05021	33.0
71.73273	2.6
80.02699	1.7
81.03459	2.1
83.05023	2.1
87.70617	1.5
93.03483	3.9
95.05029	14.6
96.96030	2.3
106.04239	1.4
107.05029	2.7
109.03006	1.8
109.06606	10.6
111.04549	1.8
119.05024	2.7
119.39375	1.6
121.02928	1.8
121.06602	5.1
122.03757	2.6
123.04580	2.4
123.08156	1.9
127.07687	2.3
135.08173	10.8
139.07663	1.7
147.08202	2.2
149.06056	2.1
150.06854	1.8
151.11333	1.5
161.06059	2.7
165.09229	10.6
184.79820	1.5
185.11862	3.9
186.10547	1.8
189.12833	16.1
205.15990	9.6
233.11807	5.4
243.17583	12.8
249.14946	10.6
261.18463	3.7
276.97650	2.0
287.16534	74.3
288.16870	6.7
305.17590	100.0
305.20743	3.4
306.17770	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2486
Annotation	5(Z),8(Z),14(Z)-Eicosatrienoic Acid
Peak:m/z	Relative Intensity
61.98823	2.1
71.72414	1.6
85.84290	1.0
91.85606	1.0
94.87566	1.0
101.67171	1.0
138.83434	1.0
305.24857	100.0
306.25201	10.4
324.93097	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.9756
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98555	0.4
63.26133	0.2
70.16585	0.7
70.16997	0.7
75.71179	0.3
80.90517	0.3
91.03164	0.3
97.74414	0.2
130.95651	0.3
161.98955	0.8
162.98611	0.5
163.98691	0.6
164.96405	59.9
165.96477	4.1
177.07260	0.4
206.97453	23.8
207.97636	1.7
210.01343	0.3
303.80716	0.3
306.33426	0.3
306.97522	23.1
307.97668	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	307.0823
Annotation	Allamandicin
Peak:m/z	Relative Intensity
54.43184	0.5
55.01874	1.7
57.03447	11.1
59.01376	8.5
68.99812	0.8
71.01376	1.5
71.72261	0.9
72.99306	1.3
73.02938	0.5
74.02472	0.8
75.00872	0.6
76.91656	0.5
79.95729	1.6
81.95331	1.2
83.01402	1.8
84.02192	2.2
85.02957	100.0
86.03312	2.5
87.00910	0.5
88.35612	0.4
89.02411	0.7
96.96021	54.1
98.95609	3.1
98.96314	0.6
99.05663	0.5
102.05576	0.4
103.69939	0.5
111.00895	1.6
115.07652	1.7
117.03478	8.0
118.03841	0.5
119.05050	1.6
128.03531	1.7
129.01939	4.6
129.03865	0.6
131.03558	0.8
131.76915	0.5
133.02968	0.8
135.04567	0.7
143.04657	1.3
144.05026	1.1
145.02969	36.2
146.03313	1.3
146.04437	0.5
147.03032	3.4
159.08144	1.1
161.02490	0.7
161.04547	2.9
183.10313	0.6
187.07687	3.1
189.07918	0.5
191.01984	11.9
195.06627	1.4
209.02931	0.5
210.08939	1.2
211.09190	0.6
212.09799	0.4
216.04190	0.5
225.11411	0.9
227.12868	2.1
231.06604	0.8
233.89441	0.5
273.09305	1.2
307.08481	10.6
307.12244	33.3
308.08945	0.9
308.12448	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	304.0011
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70765	0.1
59.01375	4.1
59.59060	0.2
60.01711	0.4
61.01782	0.2
61.98828	100.0
63.90672	0.1
65.34926	0.1
70.18267	0.9
86.92300	0.2
119.00201	0.2
159.01482	0.7
159.97368	0.2
160.01668	1.2
161.01193	1.8
161.98958	21.7
162.99091	1.6
202.02669	0.3
203.02274	0.4
203.99982	4.5
205.00108	0.2
255.12547	0.2
261.98904	0.5
304.00021	17.0
304.02716	1.2
305.00043	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	304.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02976	36.6
59.03297	0.9
71.11118	1.7
74.22199	0.6
77.09734	0.6
84.42243	0.6
96.82240	0.6
159.49075	0.6
168.13957	100.0
169.14287	5.1
190.75708	0.6
202.19199	0.6
212.12941	2.0
280.21344	0.6
290.56754	0.6
304.19009	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18977	0.6
58.02931	0.5
59.01377	6.7
60.24244	0.5
61.98823	0.9
71.29903	1.3
78.24948	0.5
79.95742	71.2
80.96521	4.0
85.02955	1.1
96.96020	100.0
97.02968	0.7
101.00230	0.5
116.13937	0.5
121.06689	0.5
123.61533	0.5
128.03548	1.3
133.02965	3.6
135.04559	0.8
137.02461	0.6
138.05595	0.7
143.04639	1.9
151.04031	4.0
158.87553	0.5
167.07150	3.0
176.03494	0.7
195.06635	58.4
196.07001	3.0
210.08975	50.8
211.09270	3.2
225.11316	46.2
226.11633	2.8
272.08850	0.9
305.07019	78.3
305.10660	62.2
306.07404	7.7
306.11005	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	305.088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.9
56.13134	0.6
56.98224	0.7
57.03450	15.0
58.02962	2.4
59.01378	15.2
68.99823	1.3
69.03432	0.6
71.01386	7.5
71.05454	1.8
72.99321	2.1
73.02938	1.5
74.02480	3.9
75.00877	1.8
80.54678	0.7
81.07098	0.8
83.01396	3.5
84.02183	2.4
84.04566	0.7
85.02961	100.0
86.03284	2.2
87.00896	1.9
89.02464	4.8
89.02974	0.8
93.82274	0.8
95.05044	0.9
96.96027	4.0
98.02476	1.6
99.05574	0.6
101.02469	2.5
103.00390	2.0
109.02947	1.4
111.00890	4.4
113.02471	0.7
113.06095	0.9
115.00346	0.9
116.03571	1.5
117.70622	0.8
119.03527	1.1
125.02459	10.9
126.02797	0.9
128.03549	3.0
129.01944	9.6
129.05582	1.0
131.03778	2.9
132.04559	2.7
133.01476	2.3
133.02946	1.5
137.02429	4.0
138.05629	1.8
139.04024	2.5
143.04616	1.6
144.04562	1.2
145.01363	0.7
147.02997	7.7
155.06999	0.7
157.07719	2.9
158.06108	2.4
161.02455	0.7
164.01167	1.1
165.01973	2.4
167.03520	1.8
173.00909	2.0
175.08852	1.4
176.03520	0.8
179.03506	2.6
191.01994	34.2
192.02400	0.7
209.03040	35.1
210.03383	1.5
219.07993	1.0
252.13748	0.9
261.08810	8.9
299.77505	0.8
305.06421	8.7
305.12250	1.5
306.07175	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	301.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.2
69.93078	0.9
71.01368	0.2
72.68837	0.2
85.02985	0.2
89.02460	0.3
91.03999	0.6
97.06577	0.2
101.58321	0.2
107.63317	0.2
111.08182	0.2
121.02968	0.2
151.00375	0.6
153.17604	0.2
153.58545	0.2
165.12871	3.3
183.13914	100.0
184.14268	5.6
209.11873	2.2
227.12907	4.7
245.04562	0.2
301.03455	1.3
301.16602	13.5
301.19977	0.7
302.04401	0.2
302.16998	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	5.5
67.05534	2.4
67.73222	0.8
69.03442	1.6
71.72026	0.8
96.04582	6.5
96.96013	4.9
101.04324	4.2
105.37966	0.8
110.06112	2.2
111.04536	15.0
116.05059	2.0
120.01269	100.0
121.01603	1.2
122.06116	2.9
124.07703	14.7
136.07698	11.9
137.09673	1.7
140.07172	1.7
144.04558	2.2
151.07709	0.8
162.05605	3.1
163.06342	1.4
163.07639	1.1
171.08492	3.1
181.08696	10.4
194.11868	5.7
195.05359	1.1
206.11855	4.2
215.07455	23.1
216.07814	1.2
224.12930	9.5
226.20296	0.8
258.11655	3.5
273.12402	1.5
285.12518	5.7
302.10709	10.8
303.06293	1.2
303.09930	1.7
303.14096	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	301.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01151	0.1
58.00600	0.2
59.01372	1.0
64.35618	0.1
66.48724	0.1
69.93116	0.5
69.93527	0.3
89.02451	0.4
91.04026	1.0
92.46671	0.1
95.30518	0.1
97.06610	0.1
98.19976	0.2
98.20523	0.3
107.01418	0.1
111.08169	0.3
151.00410	0.3
165.12868	3.6
166.13269	0.1
183.13911	100.0
184.14250	6.0
209.11832	2.9
210.12228	0.2
227.12880	5.0
228.13223	0.4
301.03467	0.5
301.16568	13.4
302.16916	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	301.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96700	0.3
57.03428	1.2
59.01379	46.2
59.01818	1.2
60.01686	0.6
63.02391	0.6
65.00294	0.6
69.03439	1.2
70.09629	1.0
70.10041	1.0
71.01359	1.7
72.99262	0.4
73.02925	0.6
74.02476	0.4
75.00845	0.8
79.95718	1.2
83.01346	0.6
83.05025	0.7
85.02951	1.3
87.00884	23.1
88.01199	0.5
93.03432	1.2
96.96024	5.0
97.02981	0.4
97.19009	0.3
99.00868	0.7
99.04522	1.1
107.01402	1.8
108.02169	0.7
109.02930	1.2
110.02472	0.5
111.04527	0.6
113.02464	0.7
116.35321	0.4
121.02940	1.6
124.05325	4.8
125.02479	0.5
125.06129	0.4
138.05624	0.6
149.02325	0.4
151.00369	3.9
151.10136	0.4
151.11305	8.5
152.01102	0.6
152.11647	0.7
161.09717	0.6
163.04013	0.4
167.03551	0.5
169.01413	0.4
169.08771	0.4
178.99864	1.4
179.10786	11.7
180.11128	0.6
195.10356	0.4
197.11841	100.0
198.12181	6.2
223.09811	0.6
227.03485	0.6
229.05112	0.4
236.08052	2.2
241.10818	16.2
242.11174	1.0
244.03351	0.6
245.04343	0.5
249.06178	0.7
255.02943	0.9
256.03394	1.6
257.04584	1.4
258.04889	0.9
259.11877	2.2
259.15292	0.6
267.07007	1.8
269.50912	0.4
271.05392	0.5
272.02847	2.8
273.03705	0.5
279.60165	0.4
280.10754	0.9
287.15472	0.4
300.60608	1.1
301.03415	13.4
301.07294	1.0
301.12973	20.3
302.03668	0.7
302.13245	1.9
317.83347	0.4
322.70139	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.7
59.01379	3.0
62.01099	0.2
69.75822	1.9
71.01382	1.5
72.76265	0.2
72.99320	0.4
73.02947	1.0
79.95728	2.0
80.96527	1.1
83.01408	0.6
85.02957	1.3
87.00870	0.7
96.96021	79.7
97.95967	0.3
101.02454	2.0
113.02529	0.3
122.97586	0.4
123.00902	0.9
124.68446	0.3
129.14827	0.3
133.93684	0.3
138.03262	0.4
138.97081	0.6
139.04016	0.4
150.97101	0.7
152.98672	0.7
180.98116	2.0
195.13858	1.2
196.14281	0.7
197.14467	1.0
201.93469	0.3
241.00259	3.7
300.54016	0.3
301.05994	100.0
302.06305	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	301.093
Annotation	Isotachioside
Peak:m/z	Relative Intensity
57.00354	0.3
57.03440	0.7
59.01375	4.0
69.03416	0.4
71.01387	4.6
71.70958	0.3
73.02944	2.0
74.02464	0.3
78.53245	0.2
78.95938	0.5
79.95737	0.5
80.96514	0.4
81.03436	0.3
83.01400	0.8
83.05045	0.3
85.02959	3.6
85.06612	0.3
87.00885	0.4
88.63328	0.2
89.02464	0.6
89.77098	0.2
93.03467	0.9
95.01396	5.0
96.96021	16.8
97.02951	0.3
98.02544	0.3
99.00909	0.8
101.02445	3.6
107.05016	0.3
108.02171	1.0
109.02952	0.8
111.00903	0.6
112.04026	0.4
113.01694	0.4
113.02447	3.2
117.03487	0.3
120.01237	0.5
121.02989	2.6
122.03782	0.5
123.00898	100.0
123.04498	0.9
124.01648	4.1
125.02493	1.3
128.07195	1.2
133.02904	0.3
135.03006	0.3
135.04535	0.3
136.01624	0.6
137.02457	3.6
138.03242	65.4
139.00392	0.6
139.04051	15.9
140.04381	0.6
143.03520	0.4
149.02480	2.2
150.03206	0.7
151.00443	0.3
151.04016	1.9
159.03000	1.0
161.04573	5.0
162.04976	0.3
163.04056	1.1
166.02730	1.8
169.01437	1.0
170.02835	0.4
171.12781	0.3
178.02724	1.0
179.03540	0.3
180.98125	0.3
181.05064	7.2
182.05431	0.3
184.06126	0.9
193.05063	3.2
195.13942	1.8
196.14267	0.4
197.14531	1.9
215.15578	0.3
241.00287	1.1
258.11627	0.5
258.17474	0.3
259.15460	0.5
301.05978	19.7
301.09329	5.2
302.06223	1.2
302.09500	0.6
302.12723	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0354
Annotation	Quercetin
Peak:m/z	Relative Intensity
58.19942	0.2
58.96622	0.2
59.01370	0.7
60.21016	0.2
63.02402	6.8
65.00325	13.7
66.00629	0.2
81.03446	0.2
83.01395	8.7
89.39291	0.2
90.32122	0.2
93.03470	3.8
95.01409	0.4
96.15984	0.2
96.96022	0.4
98.20405	1.1
104.37669	0.2
107.01402	21.0
108.01727	0.4
108.04596	0.3
108.99329	0.2
109.02986	2.6
111.00878	0.3
119.05074	0.2
121.02971	20.6
122.03301	0.6
123.00858	0.4
123.34604	0.2
124.01707	0.6
124.07703	0.2
125.02475	0.8
125.09673	0.2
127.52649	0.2
129.09201	0.4
133.02988	0.2
135.00920	0.3
135.04581	0.3
136.07695	1.0
137.02542	0.2
139.04051	2.0
143.05052	0.3
145.02983	0.4
146.03775	0.2
147.04565	0.3
148.01692	0.2
149.02467	3.1
151.00388	60.6
152.00708	2.2
155.05026	0.2
159.04495	0.8
161.02470	1.3
162.03111	0.2
163.00414	1.5
163.04054	1.0
164.01158	1.3
167.05020	0.3
169.01445	4.0
171.04539	0.2
173.06113	0.3
175.03996	0.7
177.05603	0.2
178.99879	21.3
180.00208	1.2
183.04475	0.5
183.13943	1.5
185.06052	0.4
187.03995	1.0
191.03589	0.2
192.00668	0.5
192.57063	0.2
193.01440	1.5
196.00162	0.3
199.03973	0.3
201.05595	0.8
203.03551	0.5
205.05060	0.6
211.04028	0.8
213.02028	0.3
215.03513	0.3
227.03511	1.0
228.04117	0.3
229.05008	1.8
230.02182	0.3
230.05289	0.2
231.02982	0.3
239.03452	0.4
243.02971	0.6
245.04570	2.1
255.02884	0.9
256.03702	0.5
257.04483	0.9
257.12939	2.4
271.02548	0.4
273.04056	3.4
299.01932	0.5
300.02649	0.4
301.03534	100.0
301.20132	1.9
302.03885	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	299.15
Annotation	Ficusolide diacetate
Peak:m/z	Relative Intensity
57.03449	11.5
59.01377	38.5
71.01408	2.7
71.05398	1.2
71.05722	1.7
73.02956	5.6
81.03486	1.2
83.05053	3.3
85.02959	12.9
85.06595	4.3
93.03442	6.2
95.05038	2.8
98.03757	3.2
99.04515	2.3
99.08169	4.0
109.06632	1.4
109.73428	1.1
111.04454	0.9
113.06093	3.1
123.08189	3.0
124.00774	2.2
124.05362	1.9
131.09077	0.9
135.08141	1.7
137.02441	11.8
137.03381	1.1
137.09726	4.5
138.02837	1.0
138.05623	6.4
138.06723	1.8
139.07680	8.9
139.11369	1.2
149.09802	1.6
151.11307	3.8
153.09206	8.7
154.09682	1.0
155.10785	32.2
156.11111	1.4
163.11301	6.5
167.14439	1.1
169.12360	11.7
170.12656	1.5
177.12860	1.3
193.12248	1.7
195.13910	36.8
196.14200	3.6
213.14964	100.0
214.15352	6.2
219.14061	1.4
237.14888	6.6
255.16002	4.0
257.13910	1.4
299.14868	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	301.0266
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90377	0.3
59.01377	94.9
60.01716	0.9
61.98830	0.6
66.05755	0.3
71.02132	0.7
71.02489	0.4
74.99384	0.7
76.67867	0.3
85.42957	0.3
91.12300	0.4
93.89905	0.3
107.08830	0.3
114.98891	0.9
115.02525	9.2
116.02700	0.4
116.98660	0.7
117.00459	12.5
118.00565	0.6
139.72490	0.3
141.00511	0.4
156.99934	1.2
157.03557	2.3
157.90790	0.6
158.00069	0.5
159.01515	100.0
159.97455	0.5
160.01651	7.2
199.83247	0.4
201.02568	23.7
202.02686	2.2
217.00496	1.1
241.00504	0.4
259.01575	3.4
301.02664	52.7
302.02795	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	299.15
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23793	0.5
57.03186	0.7
57.03447	11.3
59.01368	1.7
69.86852	3.7
71.01368	0.7
73.02956	2.6
83.05027	8.3
84.21897	0.5
85.02959	7.6
85.06584	2.5
95.05024	0.7
97.06608	1.5
98.38795	0.5
99.04565	0.8
99.08174	1.9
104.75459	0.5
109.06589	0.7
111.04485	0.5
113.06118	1.0
123.08189	2.7
137.09746	2.7
139.11296	2.0
149.09735	2.9
151.11336	2.5
163.11334	3.8
165.12892	2.1
167.14435	1.1
169.12360	8.2
177.12830	1.3
179.10805	0.8
193.12346	0.6
195.13904	100.0
196.14238	6.2
209.15411	0.9
237.14920	1.5
249.62604	0.5
255.16022	2.7
274.85083	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	26.0
59.01381	28.6
69.03454	1.5
69.91196	6.6
71.01395	1.4
73.02953	2.3
85.02972	5.8
95.54149	1.3
99.04549	3.5
109.06598	15.5
111.04543	7.5
123.08195	2.5
135.08174	25.7
137.09735	13.8
149.09706	5.4
153.09286	1.6
163.11314	9.3
167.10797	12.1
175.68251	0.9
177.09229	35.6
178.09601	2.6
179.10754	1.4
191.10823	7.8
193.12347	100.0
194.12695	5.8
211.13426	20.6
212.13597	1.1
217.12383	4.8
235.13390	20.0
236.13643	1.1
253.14456	3.6
269.18106	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1661
Annotation	Lycopsamine
Peak:m/z	Relative Intensity
57.03439	0.2
59.01376	0.9
61.98828	0.3
63.02409	0.3
69.43199	1.8
71.01375	0.2
71.55827	0.1
83.05037	0.2
86.06134	0.3
88.04047	100.0
89.02458	0.2
89.03815	0.3
89.04369	1.6
96.96032	0.9
97.06612	0.3
133.02972	0.3
165.12842	1.3
171.04433	0.3
187.04079	0.2
192.17569	1.5
195.13850	0.2
199.03990	0.6
201.01913	0.3
208.17137	0.4
209.11873	0.3
209.15424	0.3
218.15642	0.2
227.03439	0.2
234.14943	0.2
236.16548	16.0
237.16974	1.4
243.02942	0.4
254.17586	5.7
255.18044	0.3
271.02438	3.2
280.15533	12.7
281.15884	1.0
298.16589	32.7
299.01971	4.4
299.13385	0.5
299.16766	3.4
299.26022	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91129	1.0
59.01376	3.9
71.01389	5.6
71.06102	1.8
73.02948	4.8
78.95914	22.4
85.02956	0.8
87.00890	2.2
89.02453	25.4
96.96016	1.1
96.96980	6.0
101.02420	1.2
101.03573	1.8
103.04031	2.1
110.89901	0.9
118.05090	0.9
119.03510	1.7
120.01273	6.2
131.03534	5.8
132.03023	1.1
133.01424	2.0
149.04570	100.0
150.04883	3.8
150.79979	0.7
152.95085	0.8
154.91585	2.1
165.03970	0.9
165.99988	0.9
202.87584	0.7
210.86047	0.8
299.02100	1.1
300.04834	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	299.15
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93740	0.5
57.03449	14.8
59.01379	13.0
61.77217	0.6
69.03448	0.8
70.61589	2.2
71.01383	2.0
73.02936	4.3
83.05032	7.1
85.02953	10.8
85.06593	4.0
89.02475	0.7
93.13600	0.7
95.05024	0.8
97.06625	0.9
98.03738	1.7
99.04534	1.5
99.08144	2.9
106.11908	0.6
109.06601	1.3
111.04530	0.9
113.06077	1.0
123.08180	3.4
135.08192	1.5
137.09735	3.3
139.07672	3.3
139.11308	2.5
148.26559	0.7
149.04527	3.2
149.09743	3.9
151.11308	2.4
153.09239	3.0
155.10782	11.5
156.11070	0.9
163.11288	5.2
165.12875	2.0
167.14369	0.6
169.12375	13.4
169.13808	0.8
170.12646	0.7
177.12836	2.4
179.10835	1.0
195.13908	100.0
196.14243	5.4
209.15385	0.9
213.14963	30.3
214.15289	1.7
237.14966	3.8
255.16051	2.4
285.59119	0.7
318.22638	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2278
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
59.01378	4.5
61.98832	0.8
71.01385	0.9
72.99309	0.4
83.05006	0.5
85.71606	0.3
94.57780	0.4
95.05059	0.4
97.06541	0.4
98.19923	0.7
98.95609	1.8
98.96391	0.2
109.06610	0.3
115.00397	0.5
123.84234	0.3
127.11271	0.9
133.01454	0.8
141.12859	9.0
142.13205	0.5
155.14415	3.9
156.14755	0.5
174.95471	0.3
175.88029	0.3
191.18042	0.4
229.28723	0.4
249.22226	9.0
250.22592	0.9
277.21732	0.7
295.22766	100.0
296.23123	11.3
296.26300	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69407	0.2
59.01380	0.8
63.87509	0.2
69.93418	0.6
69.93829	0.4
79.33918	0.2
79.95731	1.0
85.02930	0.4
86.84402	0.1
87.96596	0.1
96.96021	100.0
97.95971	0.4
98.20601	0.2
136.98087	0.2
137.09689	0.3
151.72801	0.2
155.10797	2.2
171.10281	3.1
179.03574	0.2
193.12407	0.3
199.09747	0.2
201.34599	0.2
202.34685	0.2
211.65533	0.2
217.10823	8.8
218.11061	0.4
235.10158	0.2
280.98996	0.2
297.06506	27.1
298.06812	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1192
Annotation	3-O-(alpha-L-rhamnopyranosyl)-D-ribitol
Peak:m/z	Relative Intensity
56.25842	1.0
56.60088	1.1
57.03448	11.5
58.00587	1.2
59.01379	100.0
60.01696	1.5
70.04536	3.3
70.04953	2.0
71.01380	23.6
72.99313	1.3
73.02947	6.6
74.08483	1.2
78.99510	1.0
83.01396	2.0
85.02966	10.2
87.00883	1.7
89.02452	26.1
95.01396	1.7
96.96997	1.0
99.00871	1.9
101.02450	16.1
109.06596	3.5
111.04517	2.1
113.02442	9.0
117.05534	1.5
119.03539	8.8
123.08126	1.3
130.08675	1.2
134.04727	1.3
135.06665	9.0
135.08186	5.5
137.09744	3.8
143.03510	2.2
149.09732	1.3
161.04593	11.9
163.06204	1.4
163.11282	1.8
167.10825	2.4
177.09216	11.2
179.05682	6.8
191.10687	1.8
193.12326	22.3
194.12662	1.5
211.13390	3.7
217.12396	1.1
235.13341	3.7
237.09767	24.0
240.05545	1.0
297.11942	14.1
298.12082	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
63.18167	0.6
69.85087	1.3
69.85505	3.1
71.09399	0.7
105.19524	0.6
111.08144	0.7
195.13913	12.7
196.14584	1.3
205.12303	0.9
205.16040	0.6
209.97765	0.7
211.13385	1.0
222.22398	0.6
223.13406	11.6
224.13872	1.0
228.13646	1.2
231.21240	0.8
239.13023	0.8
256.13135	3.7
275.20178	8.6
289.44189	0.7
293.21210	100.0
294.21536	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.2
59.01388	4.9
59.19402	1.1
61.98817	1.0
66.36519	0.8
66.69303	0.8
69.03477	0.8
70.87943	1.0
70.88279	2.5
71.01379	2.6
71.05038	4.1
83.05043	1.0
87.04559	1.4
96.96017	2.6
98.20676	0.8
101.89397	0.9
111.57002	0.8
125.03761	0.9
161.43852	0.9
162.04724	1.0
175.22464	0.8
177.16522	1.0
209.15398	1.4
220.14571	1.9
221.15544	4.5
223.17047	6.5
231.21111	3.1
235.17055	36.7
236.10637	1.6
236.17387	2.6
275.20169	38.3
276.20462	3.6
293.08936	21.9
293.21222	100.0
294.09000	2.8
294.21527	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	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56987	0.3
57.03452	1.4
59.01374	1.7
59.65163	0.3
61.98819	0.9
69.03432	0.3
70.92742	0.9
96.96027	1.6
97.06596	1.2
123.08163	0.6
125.09751	4.8
141.12868	1.4
149.09689	1.6
183.13896	0.5
185.11853	9.8
186.12155	0.5
195.13925	0.5
197.11835	2.5
220.14505	0.4
221.15462	1.5
236.10510	1.0
249.22218	1.0
275.20172	0.8
293.21213	100.0
294.21570	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	293.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.2
57.03448	14.4
59.01382	7.1
68.99825	0.7
71.01379	3.5
71.40926	1.4
72.99302	1.7
75.00885	1.5
83.01393	2.8
84.02171	3.0
85.02959	100.0
86.03296	1.6
87.00887	1.4
89.02473	0.8
96.96044	0.9
101.02461	1.1
101.06102	5.5
103.00392	1.8
111.00880	3.0
129.01961	10.5
145.02982	1.5
147.01849	0.8
147.03008	11.8
148.26366	0.5
173.00931	2.0
191.01990	25.5
192.02328	1.1
209.02882	0.6
220.76823	0.5
275.07593	1.2
293.08911	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	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	3.4
70.59339	4.1
73.18651	1.2
83.44578	1.1
83.81165	1.1
91.35028	1.2
95.62096	1.1
96.20833	1.2
110.88165	1.0
121.10250	34.4
166.78998	1.1
171.10284	64.1
171.30852	1.1
172.10559	3.0
177.16454	1.9
185.11847	2.7
231.21190	6.4
249.25111	1.4
257.13004	1.2
275.20145	100.0
276.20520	9.9
293.21222	54.4
294.21539	8.9
306.36569	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	293.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00285	0.3
55.01885	1.7
57.03448	9.6
59.01378	4.5
60.66282	0.2
68.99815	0.7
70.44680	0.2
70.85217	0.7
71.01389	6.1
71.45919	0.2
72.99312	5.2
75.00864	1.0
79.95747	0.2
80.59755	0.2
83.01392	1.5
84.02183	2.5
84.42433	0.2
85.02959	100.0
85.06602	0.4
86.03292	2.1
89.02452	0.7
96.96031	2.5
98.20415	0.4
101.02441	0.5
103.00372	0.7
113.02465	0.3
117.03477	7.8
118.03809	0.3
119.03561	0.2
119.04244	0.4
119.05041	5.0
120.05327	0.4
123.40408	0.2
129.01953	0.8
131.07155	2.0
133.02972	0.5
141.75916	0.2
145.02975	41.6
146.03339	2.2
147.03018	52.8
148.03363	1.4
154.83557	0.2
159.08145	0.4
161.93095	0.2
163.04028	2.4
165.46782	0.2
175.03923	0.3
177.01985	0.3
187.07683	0.9
231.06606	0.3
242.48677	0.2
271.76752	0.2
274.34772	0.2
291.58578	0.2
293.06726	3.6
293.12350	3.6
293.15305	0.3
294.06473	0.3
294.12982	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	6.7
57.88915	0.7
59.01366	3.2
70.55813	0.6
71.01393	1.2
85.02957	21.7
87.10174	0.7
96.96012	5.7
101.02455	14.7
103.04012	9.0
112.63171	0.7
117.03432	1.0
118.49881	0.9
119.05034	10.5
120.05393	1.0
129.01958	84.4
130.02307	2.2
130.39275	0.7
145.02983	0.8
147.03014	100.0
148.03346	1.7
152.69148	0.7
163.02675	0.5
163.04008	15.7
168.78131	0.7
293.06995	1.0
309.58813	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1919
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
50.38570	0.3
57.03422	0.3
58.02987	0.8
59.01134	0.3
59.01383	4.6
61.98828	0.9
71.01372	0.6
71.72649	0.5
85.02962	0.5
96.96008	0.7
128.07191	0.8
133.02948	0.5
156.13948	100.0
157.14282	5.9
182.06085	0.3
182.09416	0.3
200.12903	6.4
220.14690	1.5
221.15445	3.5
233.10378	0.9
236.10530	2.5
292.19897	4.7
293.14212	0.6
293.17645	1.0
293.21176	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	293.0668
Annotation	Vittarilide B
Peak:m/z	Relative Intensity
55.01878	1.4
57.03449	9.9
58.00593	0.3
58.03779	0.2
59.01381	9.7
67.49098	0.2
68.99825	0.4
69.81007	1.6
71.01388	6.2
72.99308	3.9
73.02946	0.4
75.00877	1.0
83.01404	1.8
84.02179	2.5
84.88664	0.2
85.02960	100.0
86.03283	1.9
87.00893	0.7
89.02451	2.9
92.06754	0.2
95.01405	0.2
96.96033	1.9
99.00906	0.2
101.02464	2.0
101.06094	1.0
103.00365	1.1
111.00926	0.6
113.02452	1.2
115.00428	0.4
117.03490	4.0
119.03555	1.5
119.05034	2.8
129.01979	2.3
129.10385	0.2
133.03038	0.2
145.02974	17.4
146.03331	0.8
147.03015	48.6
148.03351	1.4
163.04024	1.0
164.07153	0.4
166.47565	0.2
173.00925	0.4
187.07661	0.5
190.86671	0.2
191.01985	4.5
231.06662	0.3
275.10678	0.2
293.06796	1.5
293.09201	0.4
293.12314	5.6
294.12640	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.1
59.01382	6.5
59.34230	0.5
71.01389	2.2
71.72072	0.8
72.99315	0.6
79.95754	0.7
82.02985	1.0
84.04585	0.8
85.02957	6.8
87.00890	0.7
92.81023	0.7
93.03474	1.5
96.96027	10.4
98.96405	0.6
101.02473	1.5
101.23765	0.5
102.05624	35.1
103.05954	0.9
115.00378	0.7
117.03490	4.1
117.12688	0.6
119.05042	69.4
120.01245	0.7
120.05389	3.0
121.02868	0.5
128.03557	45.9
129.01901	0.8
129.03868	1.0
130.08755	0.7
131.07137	0.7
133.02989	2.8
145.02969	30.6
146.04613	100.0
147.03061	3.5
147.04883	2.9
161.08226	1.3
162.05618	1.0
163.04022	14.6
164.04439	0.7
172.02539	1.5
174.05659	0.8
175.03998	0.7
176.03526	2.0
177.01935	1.3
188.07147	0.8
191.03510	0.6
202.08772	5.0
204.10371	2.0
230.08205	2.1
248.09241	3.4
249.06113	0.7
251.11371	1.2
274.07205	9.1
275.07410	0.8
292.08252	28.4
293.03528	0.9
293.08707	1.5
293.12057	1.3
304.14008	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02979	0.5
59.01379	5.2
61.98838	0.9
69.07165	0.3
71.01392	0.5
85.02967	0.3
96.96062	0.4
98.20657	0.8
102.47327	0.3
117.40162	0.3
121.16241	0.4
128.07159	0.4
133.02934	0.4
140.14558	0.3
144.06741	0.4
146.64542	0.3
149.00920	0.5
156.13950	100.0
157.14307	4.3
176.95543	0.3
177.01991	0.3
192.11609	0.6
200.12918	5.8
201.13277	0.4
210.02094	0.3
217.07234	0.6
220.14775	1.6
221.15442	4.0
233.10294	2.0
236.10568	2.6
254.85547	0.4
275.20206	0.4
292.16287	0.4
292.19623	2.3
293.14224	0.7
293.17511	0.7
293.21069	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	2.7
58.00603	6.5
59.01358	4.3
61.98814	4.6
69.03458	1.8
71.01373	3.0
71.05010	1.5
71.21503	2.8
73.02949	36.0
83.05031	1.7
84.02145	5.8
85.02946	3.6
95.05035	2.8
96.95988	1.6
97.06590	4.6
107.05050	1.7
109.06601	2.1
111.08144	4.4
113.06132	1.0
116.92836	1.2
121.03023	2.0
125.06097	6.0
125.09739	1.4
127.07685	1.2
127.11237	1.3
139.07611	5.1
139.11296	1.4
140.71115	1.1
141.12827	2.2
153.12863	2.3
155.14404	1.4
169.16019	1.1
205.19571	2.3
209.04471	1.6
235.74564	1.2
247.02406	1.6
255.21051	4.3
261.22177	5.4
263.23764	11.1
273.22211	27.3
274.22485	1.5
289.21692	1.6
291.08905	4.3
291.19672	17.4
291.23221	100.0
292.20056	2.8
292.23578	9.6
294.30048	1.2
309.77838	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	291.2331
Annotation	5alpha-Androstan-3beta,17beta-diol
Peak:m/z	Relative Intensity
57.03425	2.7
58.00603	6.5
59.01358	4.3
61.98814	4.6
69.03458	1.8
71.01373	3.0
71.05010	1.5
71.21503	2.8
73.02949	36.0
83.05031	1.7
84.02145	5.8
85.02946	3.6
95.05035	2.8
96.95988	1.6
97.06590	4.6
107.05050	1.7
109.06601	2.1
111.08144	4.4
113.06132	1.0
116.92836	1.2
121.03023	2.0
125.06097	6.0
125.09739	1.4
127.07685	1.2
127.11237	1.3
139.07611	5.1
139.11296	1.4
140.71115	1.1
141.12827	2.2
153.12863	2.3
155.14404	1.4
169.16019	1.1
205.19571	2.3
209.04471	1.6
235.74564	1.2
247.02406	1.6
255.21051	4.3
261.22177	5.4
263.23764	11.1
273.22211	27.3
274.22485	1.5
289.21692	1.6
291.08905	4.3
291.19672	17.4
291.23221	100.0
292.20056	2.8
292.23578	9.6
294.30048	1.2
309.77838	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	291.1964
Annotation	12-OPDA
Peak:m/z	Relative Intensity
57.03408	0.3
59.01360	0.7
61.98833	0.3
71.21175	0.7
77.91732	0.3
78.99711	0.3
80.58358	0.3
80.96523	5.4
97.06594	0.4
103.97440	0.3
106.04256	0.3
125.06075	0.5
126.04098	0.3
127.15068	0.3
141.95766	0.3
148.08966	1.6
150.10516	0.9
151.11342	0.5
152.51575	0.3
163.11319	1.1
165.12856	21.0
166.13242	1.2
175.11273	0.6
176.12036	0.6
177.12843	0.4
191.14333	0.4
217.15959	0.8
247.20665	9.6
248.20953	1.2
273.18579	5.8
274.19064	0.4
291.19635	100.0
292.19968	11.8
306.23779	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71975	0.3
57.03453	1.9
57.45272	0.3
58.97099	0.3
59.01371	0.5
71.19019	0.3
71.19338	0.6
76.56902	0.3
77.52613	0.3
79.63923	0.4
80.02646	0.3
88.18077	0.3
93.07082	1.3
95.05042	0.4
97.06584	1.8
107.11746	0.3
107.69768	0.3
121.10251	14.5
122.10579	0.7
123.08183	1.1
125.09733	6.6
134.59494	0.3
141.12846	1.6
146.50055	0.3
147.08144	0.6
157.94376	0.3
163.11314	0.4
168.04489	0.3
171.10248	0.5
184.05563	0.3
185.11847	15.1
186.12187	0.7
197.11815	3.1
201.69351	0.3
209.11867	1.5
211.13351	1.4
219.91133	0.3
220.13919	0.3
223.13393	1.1
247.13417	0.9
247.20668	0.7
273.18539	1.2
274.63678	0.3
289.18143	0.5
291.19641	100.0
292.19995	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	291.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14745	0.3
55.01865	0.8
57.03441	0.9
59.01380	3.5
59.56264	0.4
59.80635	0.3
61.98824	1.0
69.85627	2.3
71.01379	0.8
71.05022	24.7
72.05360	0.6
77.90579	0.4
83.05027	1.2
96.96016	0.6
97.06598	7.0
110.35898	0.4
111.08162	1.0
119.04998	0.4
121.02872	0.4
137.09723	0.5
144.28612	0.4
153.12796	0.5
163.14957	0.6
165.12791	0.5
167.10756	0.9
175.14966	0.4
181.12323	1.2
181.69852	0.3
185.11848	0.6
195.13943	1.1
197.11780	0.6
200.18372	0.4
207.13927	2.6
219.13898	3.0
235.17061	3.2
247.20697	2.1
273.18594	1.9
291.19638	100.0
292.19965	10.8
305.21417	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57247	0.4
53.26683	0.3
59.01368	0.7
71.01368	0.9
71.03937	0.9
71.54845	0.4
77.98379	0.4
79.95737	2.2
95.95274	1.2
96.29224	0.4
96.96021	100.0
111.23450	0.4
124.02099	0.4
129.15634	0.4
151.53107	0.4
213.73560	0.4
266.57339	0.4
291.12704	97.3
292.13037	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	291.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77797	0.5
56.86581	0.5
59.01381	2.8
61.98827	0.5
64.42315	0.5
69.33380	0.4
69.34418	0.4
69.55828	4.0
71.01398	0.9
72.99310	100.0
73.78570	0.6
73.99669	1.1
75.00876	2.1
77.37597	0.4
80.64449	0.4
85.26527	0.5
87.00887	1.7
90.98600	1.5
96.96036	1.3
105.01942	44.7
106.02311	0.8
113.62633	0.5
161.00938	11.1
161.02206	1.0
162.43687	0.6
163.80159	0.5
232.21373	0.5
291.09122	0.7
291.14523	5.4
291.19659	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	289.1115
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.5
59.41653	0.2
71.72947	0.3
75.57549	0.2
79.95275	0.4
79.95736	6.8
79.96188	0.4
84.01403	0.2
96.96020	100.0
97.95957	0.3
105.79636	0.2
115.26811	0.2
122.97578	0.3
131.86237	0.2
138.41182	0.2
156.78636	0.2
171.46384	0.2
173.21483	0.3
230.88437	0.3
274.55402	0.2
289.11139	70.6
290.11487	5.2
290.14221	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1117
Annotation	Rotoxamine
Peak:m/z	Relative Intensity
53.71160	0.2
65.25658	0.2
66.40103	0.2
71.19333	0.4
73.83799	0.2
79.95737	2.8
95.95229	1.6
96.96021	100.0
100.13512	0.2
107.94825	0.2
109.11507	0.2
111.39980	0.2
165.12790	0.2
212.37862	0.2
220.79556	0.2
221.13100	0.2
233.54987	0.2
289.11148	67.3
290.11496	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	290.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66149	0.4
61.98830	100.0
67.41310	0.4
70.64215	0.5
70.92039	1.1
70.92435	0.9
72.99316	1.0
105.01958	1.1
131.51840	0.4
168.61902	0.4
183.13980	0.5
227.12927	0.6
265.59500	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.4
57.03451	14.7
58.00590	0.4
59.01381	9.0
61.01038	0.5
68.99827	0.9
69.65007	2.9
71.01385	4.2
71.05010	0.4
72.23723	0.4
72.99303	2.5
73.02956	1.1
75.00864	1.4
78.95906	7.7
83.01389	2.0
84.02184	2.4
85.02960	100.0
86.03290	2.2
87.00884	1.8
89.02442	0.8
96.96045	1.9
96.96974	12.6
98.95593	0.8
99.00916	0.5
99.04530	5.3
101.02444	1.3
101.29482	0.4
102.85455	0.4
103.00383	1.8
106.80806	0.4
110.98534	1.5
111.00886	3.2
112.98715	0.4
115.00385	2.1
115.02110	1.6
117.05609	0.4
128.07152	0.5
129.01970	9.9
133.01411	0.5
144.06689	1.2
145.01457	0.4
147.03018	9.1
148.03371	0.4
157.03137	0.9
159.04735	1.2
159.06699	0.7
163.02509	0.6
167.07196	0.5
172.49670	0.4
173.00946	1.6
175.02269	0.4
175.04240	1.4
191.02008	18.8
198.49416	0.4
209.03038	1.3
214.42734	0.4
220.67383	0.4
273.05939	0.7
291.08905	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	289.0831
Annotation	N-Malonyltryptophan
Peak:m/z	Relative Intensity
53.92487	2.8
58.02973	18.3
59.01365	12.0
69.48189	2.7
69.73544	12.6
69.73959	5.7
70.02994	12.9
71.01391	11.3
72.00902	7.3
72.04544	3.0
72.99319	3.3
73.02959	14.5
74.02479	75.7
74.37546	2.3
75.00883	6.8
85.02958	12.8
87.00895	6.2
96.96023	8.1
98.02489	18.5
98.19897	2.9
99.00881	4.4
99.04555	13.0
103.04043	3.5
113.02459	5.6
116.03552	27.3
116.05074	27.0
131.03522	14.1
142.06625	5.6
143.35519	2.3
155.10791	28.0
159.09317	3.0
199.09770	6.4
201.10399	4.1
203.08270	75.8
204.08611	2.5
224.07961	52.0
245.09300	100.0
246.09676	10.1
249.06282	2.4
273.13464	4.2
289.08368	3.8
299.13058	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	287.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	0.4
59.51662	0.4
60.80049	0.4
61.62942	0.4
71.04399	1.0
85.02949	0.4
95.29835	0.4
96.96023	0.9
97.75674	0.4
102.98830	0.4
124.63569	0.4
125.15384	0.5
126.94460	0.4
131.03773	0.7
132.04546	1.0
142.06606	0.5
144.04504	0.5
144.66985	0.4
145.04100	1.4
155.06129	0.4
157.07735	1.7
158.06192	0.5
163.19716	0.4
173.03587	5.2
181.07700	1.1
183.05646	11.6
184.06013	0.4
215.04630	36.9
216.04967	1.9
225.06642	1.0
243.07726	4.2
287.06723	100.0
288.07053	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	288.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61039	0.2
58.17000	0.2
59.01389	0.3
67.03036	0.9
71.04961	0.5
72.00912	1.8
74.02505	0.3
80.03814	1.5
81.04586	1.8
84.75534	0.2
85.02948	0.2
93.04591	10.8
97.65730	0.2
108.05688	1.8
109.04106	1.3
110.06489	0.4
110.07259	8.3
111.07566	0.2
113.06087	0.4
118.04125	0.6
121.11249	0.2
123.04547	1.1
133.03000	0.7
136.05199	2.1
137.03589	9.9
138.03850	0.3
154.06242	100.0
155.06624	3.3
190.05063	0.2
199.88101	0.2
270.08768	0.3
271.08752	0.2
288.09860	9.8
289.10129	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1605
Annotation	Mesembrine
Peak:m/z	Relative Intensity
51.25512	0.3
58.02974	0.4
59.01377	1.6
61.98801	0.5
64.41045	0.2
71.28546	0.6
81.03469	1.6
92.05074	0.9
93.03473	1.8
94.02947	0.3
96.96021	0.3
99.92601	0.8
100.42590	0.2
104.14378	0.2
107.03800	0.5
108.02180	0.7
108.04569	5.4
108.89500	0.2
109.02972	5.6
115.92110	0.4
116.92941	0.3
121.02966	0.5
124.01680	0.5
134.02493	34.4
135.03317	8.4
136.04060	37.7
137.02486	1.6
137.04443	1.1
148.04053	0.9
149.04828	1.4
174.11743	0.3
175.72736	0.2
176.03560	4.2
177.04236	0.5
181.03925	0.3
190.05112	0.8
204.06660	0.4
260.16513	0.5
288.16040	100.0
289.16373	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	289.0718
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
57.03439	5.2
59.01370	1.6
60.07547	0.7
69.03468	1.7
69.46812	7.7
70.06619	0.7
70.78011	0.8
80.02709	1.0
81.03448	4.4
83.01387	5.2
85.02956	2.2
93.03474	2.2
95.01414	1.2
95.05041	6.2
96.96006	1.3
97.02948	11.2
99.04530	0.8
108.02202	1.8
109.02963	42.0
110.03320	1.3
120.01247	1.4
121.02972	6.0
122.03712	2.0
123.04535	27.6
124.04861	2.0
125.02458	27.7
126.02764	1.2
135.04541	2.8
137.02454	12.9
138.03020	0.7
139.04045	5.8
143.05025	1.0
145.02977	2.4
146.03746	2.4
149.02449	7.1
150.03221	2.8
151.04030	14.4
154.63797	0.9
157.06599	1.3
157.08775	1.2
159.04576	4.8
160.05287	1.7
161.02443	1.2
161.06099	6.5
162.03256	2.6
163.03998	2.0
164.01164	5.8
165.01962	5.9
167.03500	3.0
173.06030	1.3
174.03163	0.8
175.04013	2.8
175.07648	2.4
179.03497	9.9
180.03955	0.8
185.06105	1.0
187.03995	7.1
188.04773	4.8
199.07690	0.9
201.05592	1.0
202.06429	4.3
203.03494	0.7
203.07120	17.4
204.07471	1.5
205.05049	12.6
206.05443	0.9
212.04784	1.1
217.08647	0.9
221.08224	6.7
227.07190	1.9
230.05818	1.1
231.02937	0.9
245.08159	29.0
246.08559	2.8
247.06071	2.3
289.07178	100.0
290.07553	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	285.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	34.6
60.01713	0.7
69.57006	3.2
71.01391	0.4
71.02850	0.3
71.88605	0.3
83.05044	2.5
93.03467	1.5
96.96020	3.0
97.06590	3.1
98.20038	0.9
98.20620	0.6
101.53871	0.3
107.01421	0.8
109.02975	0.4
121.02934	0.4
131.05013	0.4
135.00912	0.6
139.11259	0.5
143.05031	0.4
148.05302	4.2
156.05762	0.5
157.06604	0.8
159.04518	1.0
159.97606	0.8
163.00433	0.7
163.07632	3.4
165.01959	0.4
167.14455	1.5
169.06619	0.4
179.14389	3.4
181.12265	0.4
181.15958	0.6
183.04529	0.5
185.06100	1.3
187.04001	1.9
195.04617	0.5
195.13950	0.5
197.06042	0.7
197.15480	14.3
198.15797	1.0
199.04012	0.6
211.04018	1.1
213.05573	0.8
225.14957	16.3
226.15331	1.2
227.03452	1.2
228.03799	1.2
229.05046	4.7
230.05423	0.6
239.03477	0.5
241.00270	3.2
241.05116	0.6
242.00406	0.4
243.15997	100.0
244.16353	7.8
255.02979	0.6
256.03375	2.7
257.04529	2.1
278.44504	0.4
283.01028	0.4
285.04004	26.7
285.17044	11.0
286.04297	3.0
286.17392	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.7
59.01379	31.9
60.01727	0.4
61.98829	0.4
69.55001	1.8
69.55410	0.5
71.01393	1.3
72.71612	0.2
73.02949	2.4
78.13499	0.2
79.95756	1.6
83.05034	1.2
85.02965	0.5
85.06615	0.5
86.97696	0.2
95.95235	2.2
96.96020	7.3
96.96600	0.5
97.06618	0.6
103.04046	0.7
107.00896	0.2
122.06109	0.4
131.03511	2.6
138.97075	0.4
139.00932	0.3
139.11304	1.5
163.11322	0.9
165.12857	0.4
177.04131	0.4
179.14368	1.1
181.12440	0.6
191.03470	0.3
192.10858	0.3
195.13954	1.1
197.15485	18.9
198.15773	1.5
215.56969	0.3
219.06100	0.3
220.06813	7.9
225.00703	0.6
225.14963	17.4
226.15373	1.4
241.00235	0.7
241.14499	0.6
243.15997	100.0
244.16339	8.5
244.18860	0.6
256.99768	1.1
263.08688	0.4
270.08862	0.3
285.04056	1.0
285.07376	0.4
285.13821	0.4
285.17068	8.0
285.27020	1.6
286.17456	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0744
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23125	0.2
55.13523	0.2
59.01382	1.7
61.98823	0.4
70.09912	1.2
78.95908	32.4
79.31633	0.2
85.02929	0.3
87.00859	1.1
93.03436	0.4
96.96970	100.0
105.69076	0.2
110.06108	0.7
119.05030	1.4
120.99649	2.1
122.06130	0.5
123.00964	0.2
124.00664	0.5
127.05141	0.2
134.02818	0.2
134.03761	0.5
137.02444	0.9
149.06065	0.8
153.01913	0.5
156.01315	0.2
162.14081	0.2
168.99068	1.2
182.02216	0.6
182.12860	0.2
197.04587	1.5
284.26797	3.0
285.07349	2.3
285.10010	0.7
285.12830	0.3
285.27106	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48500	0.4
59.01378	100.0
60.01712	1.6
61.98826	0.5
70.12352	3.2
73.02954	1.9
79.95757	1.1
94.66560	0.5
96.96028	4.8
98.20654	0.5
98.95589	0.5
148.05302	1.8
163.07686	1.0
181.12354	94.8
182.12689	5.7
203.88177	0.5
225.11336	13.0
226.11627	0.8
236.61560	0.6
241.00165	1.7
243.12326	3.0
243.16013	0.7
244.12579	0.7
264.14075	0.5
267.36438	0.5
274.25369	0.5
284.26810	1.1
285.01169	0.5
285.04172	2.4
285.06708	0.5
285.13779	3.3
285.20761	0.5
285.27005	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	282.0844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36031	0.2
56.68928	0.2
59.01370	1.5
61.98825	0.7
66.00974	0.6
71.01381	0.5
71.17023	0.5
71.67866	0.2
82.04124	1.1
88.04056	0.4
90.00951	0.2
96.96014	0.4
107.03641	4.7
108.02054	6.6
108.99712	0.2
126.03109	5.9
133.01575	28.7
134.01917	0.7
139.97386	0.2
150.04224	100.0
151.02556	0.6
151.04678	2.5
164.05766	0.3
235.78308	0.2
265.18872	0.2
282.08426	33.4
283.08673	2.0
283.26404	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	283.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	3.7
59.01380	23.9
60.01700	0.3
66.06330	0.3
69.53102	2.3
69.53516	1.0
71.01376	0.5
72.02162	1.0
75.74233	0.3
81.27945	0.4
83.05032	5.2
87.04525	0.6
97.06608	3.5
98.03767	0.5
102.41370	0.3
123.08145	1.3
137.09764	1.8
139.11288	2.4
149.09689	1.1
151.11279	0.7
163.11304	7.1
165.12856	1.5
167.14476	2.2
170.06436	0.4
177.12827	1.5
179.14452	4.0
195.13927	16.5
196.14233	0.8
197.15483	42.1
198.15829	3.8
211.17032	1.4
221.15488	0.4
223.13391	17.5
224.13876	1.8
239.16512	8.2
240.16899	0.5
241.14455	100.0
242.14798	10.2
244.45792	0.4
283.15488	8.2
283.26450	1.2
284.15900	0.5
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	Botryaloic acid
Peak:m/z	Relative Intensity
53.04041	0.8
57.03436	2.9
57.80116	0.8
59.01377	4.6
68.41519	0.9
69.03452	3.0
69.62556	7.5
69.62873	0.9
70.67930	1.0
71.01382	5.7
72.02164	13.7
83.05035	6.4
85.02947	0.8
87.04523	12.3
96.96029	1.9
97.06600	2.9
98.03750	5.2
99.04527	3.3
109.98611	0.9
111.08155	6.0
123.08144	1.5
135.04572	0.9
137.09731	1.1
139.11278	2.5
149.09712	1.1
151.11320	2.2
165.12865	7.0
167.14403	5.8
195.13875	3.5
197.15485	15.6
198.15822	1.2
209.15414	1.0
211.17014	2.1
221.15503	4.4
238.95177	0.8
239.16516	100.0
240.16864	8.0
241.14465	6.2
283.15607	2.0
283.26471	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1394
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
56.31498	0.9
57.03449	18.6
59.01390	1.0
59.93066	1.2
66.20847	0.8
71.01379	2.3
71.18637	1.3
71.18974	1.5
72.02149	2.3
81.07133	1.4
83.05037	20.8
87.04523	98.2
88.04885	3.6
97.06604	10.7
98.03761	1.6
113.06097	10.6
135.08266	1.6
137.09738	16.1
139.07631	2.4
149.09779	1.1
153.09236	12.2
163.11310	1.4
165.12891	6.4
177.13022	1.6
193.12364	1.5
195.13934	24.6
196.14294	2.5
219.13913	5.6
237.14970	100.0
238.15303	10.6
239.12851	3.8
259.59229	1.0
281.13931	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.4
57.16260	0.3
59.01380	8.1
61.98832	100.0
71.01387	1.3
71.05030	0.4
75.81171	0.4
85.02995	0.6
87.00898	1.2
87.04545	0.4
88.04070	2.5
92.40601	0.4
93.03470	3.9
94.46878	0.5
96.96036	3.5
99.00926	0.7
101.02456	0.5
106.95090	0.4
109.02985	0.6
109.06580	0.5
113.02496	0.7
119.05078	1.6
121.02937	0.6
123.08232	0.5
134.03828	0.6
146.08290	0.7
159.04523	0.5
162.03323	0.5
163.04059	1.5
175.04044	0.4
175.07681	1.4
177.05696	0.7
178.02881	0.5
193.05093	1.5
218.10327	2.7
237.07719	1.3
237.14964	0.8
281.04001	0.4
281.06754	2.3
281.10770	0.4
281.13950	0.9
281.24829	2.7
282.06158	0.9
282.09927	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41006	0.9
57.03448	40.0
57.20454	1.0
59.01375	2.6
69.50394	8.4
71.01370	4.0
72.02167	3.7
81.07085	2.0
83.05032	32.7
84.05359	1.8
87.00893	2.3
87.04522	100.0
88.04891	2.6
95.05052	5.0
97.06606	24.0
98.03748	3.4
98.06912	1.2
113.06107	10.5
121.06629	2.1
123.08141	1.6
135.08159	2.3
137.09743	18.6
139.07658	2.7
149.09717	2.6
151.11249	1.8
153.09238	14.7
160.04039	4.8
161.09714	1.4
165.12865	8.2
177.12883	2.3
179.10727	1.5
193.12292	1.4
195.13914	29.0
196.14243	1.7
198.85342	1.2
203.06354	1.2
209.15561	1.3
219.13864	6.1
226.85036	1.0
237.14961	80.9
238.15323	7.3
239.12920	3.2
281.14044	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	281.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75394	1.7
55.23343	1.1
57.03448	39.7
57.67391	1.2
59.01385	4.5
65.73505	1.4
68.53061	1.2
69.51469	7.0
69.51899	4.6
71.01385	3.7
72.02157	4.1
81.07095	1.4
82.92571	1.2
83.04559	2.6
83.05033	39.5
84.05379	1.4
87.04521	100.0
88.04858	3.2
95.05009	2.2
97.06602	25.0
98.03731	3.1
109.06606	1.6
113.06111	11.1
121.06605	2.6
123.08170	2.1
134.25900	1.5
135.08199	3.1
137.09727	20.4
139.07675	2.5
149.09691	2.7
153.09238	14.0
165.12822	7.2
177.12892	1.8
193.12308	1.5
195.12239	2.3
195.13930	27.7
196.14116	1.9
209.15408	1.5
219.13881	5.0
237.14955	79.9
238.15317	7.4
239.12796	1.9
267.23019	1.4
281.14032	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0908
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.5
59.01368	0.8
69.47025	2.8
71.01427	0.2
71.05022	0.4
78.21262	0.2
79.95764	1.2
96.96017	100.0
97.55537	0.2
103.84745	0.2
135.14546	0.3
135.90364	0.3
151.07668	0.4
153.12854	1.3
154.38487	0.3
184.76009	0.2
199.13409	13.2
200.13727	0.7
217.12355	0.2
235.10004	1.1
279.09058	66.1
280.09351	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	279.0909
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45322	0.3
56.73316	0.3
59.01381	10.7
71.01376	0.8
71.72622	0.6
73.40366	0.3
75.00887	1.2
79.95757	1.3
85.02953	1.2
87.00909	0.4
93.59336	0.3
95.01385	0.3
96.76466	0.3
96.96022	100.0
98.95604	0.5
103.38657	0.3
113.01340	0.4
113.02447	0.5
120.99666	0.5
122.40926	0.4
139.11327	0.6
144.09850	0.3
153.12834	0.5
199.13402	14.3
200.13716	1.1
205.12349	1.0
207.66019	0.3
235.09993	0.9
249.06157	1.3
267.07141	1.2
268.60019	0.3
279.09070	65.8
279.23227	1.1
280.09406	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	281.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23767	0.6
57.03447	12.4
57.48819	0.6
59.01378	10.6
64.14366	0.6
65.00375	0.6
71.01392	3.7
71.72490	1.0
72.02163	0.9
72.99320	1.4
73.02948	3.0
75.00872	0.7
79.95744	0.8
83.05032	10.2
85.02966	2.5
87.00890	19.0
87.04526	25.8
88.53529	0.6
89.03981	2.2
93.03496	0.7
95.05013	0.8
96.96021	11.8
97.06606	6.6
98.03731	1.5
98.95581	0.9
101.02483	1.1
102.36928	0.6
105.01935	7.6
106.82555	0.6
109.02930	0.7
110.43338	0.6
113.06129	3.1
117.03470	9.1
117.26762	0.6
119.05052	1.4
121.02971	0.7
121.06566	1.2
123.08195	0.7
131.03500	1.5
132.96588	0.6
134.03760	83.6
135.03152	0.9
135.04227	2.9
137.02467	1.5
137.09737	5.7
139.04063	0.7
139.05125	0.7
139.07678	1.4
149.06116	9.0
149.09782	0.7
153.09244	4.1
163.04018	2.7
165.12849	2.6
175.04077	1.1
177.12802	0.8
178.02742	6.2
179.03510	1.4
193.05075	100.0
194.05388	6.0
195.13937	7.1
219.13879	1.7
237.14954	21.4
238.11978	1.1
238.15298	1.2
241.00035	0.8
242.78793	0.7
261.52148	0.6
280.60999	0.8
281.06998	4.0
281.10410	2.0
281.13834	2.2
281.24915	2.1
282.05890	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	277.2171
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
50.84553	0.2
59.01144	0.2
59.01384	2.3
64.59081	0.2
68.26279	0.2
71.01383	0.5
79.95728	0.2
83.04996	0.2
98.19880	0.6
104.21645	0.2
114.46830	0.2
127.07671	0.3
184.50362	0.2
199.47409	0.2
205.15991	0.3
230.31857	0.2
233.22748	0.4
259.20682	0.3
275.20117	0.4
277.21707	100.0
278.09409	0.2
278.22049	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	277.217
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63487	0.2
54.94062	0.2
59.01090	0.3
59.01375	3.2
61.98825	0.3
70.59917	0.7
71.01384	0.7
83.05030	0.3
121.84209	0.2
127.07658	0.3
173.55663	0.2
205.15961	0.3
233.22649	0.6
259.20593	0.6
275.20081	0.3
277.18420	4.3
277.21701	100.0
278.18860	0.4
278.22049	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	277.2171
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
52.69454	0.3
59.01369	1.1
69.95344	0.3
71.19096	0.5
71.19427	0.3
82.50441	0.3
85.43819	0.3
108.48768	0.3
136.25090	0.3
189.64514	0.3
193.24617	0.2
216.59421	0.3
227.53220	0.3
233.22775	0.4
241.79332	0.3
275.20190	0.5
277.21707	100.0
278.22058	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	275.0595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02240	0.6
59.01386	2.2
61.89503	0.5
66.31448	0.5
69.46194	0.5
71.01379	0.8
71.44216	1.3
72.99294	0.5
78.12171	0.5
79.95742	50.7
80.96523	4.6
85.02993	1.0
91.27367	0.5
96.96019	11.1
98.95615	2.4
98.96464	0.6
109.04118	0.7
116.05072	0.6
121.02969	14.7
127.05173	1.9
135.04527	3.2
139.07683	1.5
146.02402	0.5
180.07933	99.7
181.08275	5.5
195.10272	49.8
196.10681	2.8
203.08263	1.6
226.78812	0.6
239.31386	0.6
267.54019	0.6
275.05923	100.0
276.06302	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	271.2277
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
55.01873	0.5
59.01374	1.1
61.65795	0.3
61.98822	0.9
71.30212	0.6
71.30556	0.6
83.01379	0.4
89.02430	0.5
93.03457	0.4
107.01405	0.5
109.02943	0.4
119.05023	1.3
136.57532	0.3
151.00337	1.2
169.01271	0.4
197.19159	0.8
221.19156	1.0
223.20680	4.4
224.20949	0.4
225.22235	61.6
226.22598	5.3
253.21727	1.2
265.13403	0.3
269.21252	0.4
271.02756	0.6
271.06100	2.1
271.22763	100.0
272.23108	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	272.1039
Annotation	metazachlor OXA
Peak:m/z	Relative Intensity
64.54179	0.2
66.03506	0.3
67.03029	0.8
68.74696	0.2
69.92792	1.4
72.00908	1.7
78.15247	0.2
80.03825	0.9
80.05961	0.2
81.04585	1.9
90.54885	0.2
93.04588	10.5
96.96026	0.6
98.19930	0.3
108.05695	2.2
109.04104	1.1
110.07247	6.1
118.04127	0.3
135.04570	0.3
136.05154	2.1
137.03583	9.7
137.19269	0.2
151.03906	0.4
154.06238	100.0
155.06656	3.1
167.91507	0.2
168.60849	0.3
198.18867	0.2
223.04221	0.2
254.09465	0.3
272.10373	7.9
273.10416	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.9
57.03450	1.7
58.63998	0.2
59.01378	28.4
60.01717	0.4
63.27881	0.3
65.83775	0.3
68.99010	0.3
69.03469	0.3
69.58130	2.5
71.01382	7.3
72.99331	0.8
73.02945	3.3
75.00871	0.7
83.01392	1.3
83.05029	13.1
85.02956	4.5
87.00890	0.9
89.02461	0.5
95.01373	0.5
95.05032	1.3
96.96018	2.9
97.02972	0.5
97.06602	9.2
98.95601	0.4
99.00882	1.1
101.02451	6.3
107.05100	0.3
109.02949	0.3
109.06615	0.8
111.00850	0.3
111.04546	0.4
113.02460	3.1
121.02982	2.0
123.08203	0.3
125.06055	0.8
135.08148	0.7
137.09735	1.1
143.07266	0.3
143.57320	0.9
147.04689	0.3
147.11845	0.7
149.09727	1.5
151.07616	0.3
151.11308	3.7
152.11676	0.3
153.12849	1.0
159.03021	0.6
161.04552	2.6
163.11288	0.3
165.12845	1.2
168.17535	0.3
181.12346	16.5
182.12732	0.6
191.10680	0.3
195.54936	0.3
209.11826	26.6
210.12178	1.7
225.11469	0.5
227.12883	100.0
228.13225	6.1
242.33972	0.3
269.10400	2.3
269.13919	7.7
269.16965	0.5
269.18137	0.5
269.21185	4.3
269.24738	2.1
270.14063	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.0308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89994	0.4
59.01372	0.6
61.98829	100.0
71.39917	0.7
85.02967	0.3
96.96018	1.1
144.23692	0.4
165.05153	0.4
171.10194	0.4
268.07745	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0334
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	0.3
59.01376	1.7
61.98807	0.3
69.65145	1.8
69.65569	0.6
71.01392	0.4
73.02955	0.3
74.00670	0.3
74.99086	0.3
75.00895	0.7
78.56140	0.2
79.95731	0.8
87.00856	0.3
87.06685	0.2
89.02412	0.3
96.96020	100.0
97.06597	0.6
97.43507	0.3
97.95947	0.4
99.08181	0.3
108.60246	0.2
109.06614	0.6
125.06088	0.3
127.07683	3.2
136.00742	0.3
137.02353	0.4
137.06071	0.3
143.07147	3.1
171.06703	0.3
181.05005	0.3
189.07693	14.2
190.08002	0.8
196.91597	0.3
197.19115	0.3
225.22314	0.4
227.12848	0.4
269.03348	29.9
269.06311	1.2
269.21213	3.9
269.24808	2.4
269.69678	0.3
270.03745	1.4
270.21454	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0485
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	5.0
71.01382	1.2
71.72798	1.3
74.99106	1.8
79.95770	2.4
87.00885	22.0
89.02451	0.8
91.05546	8.4
95.95238	1.3
96.75611	0.9
96.96025	7.5
99.80512	0.8
101.49475	0.8
102.98596	1.1
113.46373	0.8
120.99670	28.9
124.07687	1.6
135.02798	2.4
135.04539	1.2
136.98103	0.8
137.04326	97.6
138.04663	4.2
144.04575	1.1
145.04204	1.8
146.06035	0.9
147.04541	91.6
148.04924	4.9
163.05980	0.8
173.05945	1.0
181.03307	100.0
181.12238	0.9
182.03648	4.6
189.68678	0.9
207.04843	2.8
225.05882	18.1
241.01447	11.1
245.00912	3.2
251.03902	1.9
259.05179	0.9
268.57178	1.2
269.04861	47.2
269.13437	2.8
269.21204	7.1
269.24777	3.7
270.01700	6.8
270.05124	4.7
270.21548	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1237
Annotation	Pectinolide B
Peak:m/z	Relative Intensity
57.03432	3.1
59.01380	100.0
61.98849	1.9
71.01386	2.5
71.05037	1.1
71.73334	1.4
73.02944	2.7
78.97394	0.8
79.95738	2.1
83.05050	1.3
85.02973	2.4
87.00880	4.2
96.96018	20.0
99.04533	1.2
101.02458	1.0
113.02492	1.8
140.46881	0.9
140.65417	1.1
140.95592	0.8
161.09785	1.3
161.13417	2.4
163.11278	1.4
207.10275	2.4
223.13399	46.6
224.13710	4.2
267.07153	3.8
267.12512	9.3
267.15784	1.9
267.19736	1.1
268.08032	5.2
268.12643	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2171
Annotation	(7S)-Hydroprene
Peak:m/z	Relative Intensity
59.01136	0.3
59.01381	3.7
60.04211	0.3
61.83717	0.3
61.98836	0.7
65.00316	0.3
69.43098	3.5
79.95757	0.6
86.59812	0.3
96.96016	19.1
134.04747	0.4
143.07684	0.3
221.00883	0.4
227.54732	0.3
247.20676	0.7
265.14822	16.8
265.21695	100.0
266.15045	1.4
266.19180	0.6
266.22052	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	267.072
Annotation	2-O-(alpha-D-Mannosyl)-D-glycerate
Peak:m/z	Relative Intensity
57.03442	3.9
58.00592	1.2
58.13193	1.1
59.01381	20.9
66.35651	1.0
71.01385	25.7
71.70569	1.5
72.54475	1.1
72.99300	2.9
75.00880	11.6
78.95901	2.5
85.02441	1.7
85.02959	26.1
87.00887	10.7
88.04039	2.5
89.02457	10.0
95.01397	5.9
96.96006	3.7
99.00888	8.1
103.00412	1.7
112.01684	1.2
113.02461	38.9
115.00425	1.1
117.01945	3.0
129.01935	2.3
131.03572	1.5
131.04596	2.8
132.03082	5.5
134.02853	1.1
159.20055	1.0
175.02501	2.8
205.07272	1.3
207.05194	1.3
207.25534	1.1
249.06177	2.4
267.07193	100.0
268.07553	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	265.1445
Annotation	Rugosal A
Peak:m/z	Relative Intensity
51.72302	3.2
59.01383	55.6
61.98843	4.8
64.97893	2.7
65.03966	16.1
69.03445	3.3
71.01389	10.4
71.04999	3.4
72.99310	4.5
81.03468	35.4
83.05034	33.0
85.02934	7.0
93.03454	27.7
95.05034	8.8
96.96019	15.1
99.04504	4.7
101.02419	3.2
107.05030	3.4
109.02955	11.2
109.06628	7.9
110.03744	8.2
111.04542	68.9
119.19428	3.5
121.02959	4.3
123.04533	6.4
127.11380	3.1
137.09758	3.1
139.11287	11.6
163.04015	4.8
171.10298	6.5
177.12845	12.2
178.06386	5.5
186.90012	4.9
193.15979	14.6
194.67375	3.0
201.98471	4.0
210.54221	3.2
219.13850	8.5
221.11827	30.4
221.15280	4.9
237.14966	100.0
238.15427	5.5
247.13405	26.4
265.07431	6.3
265.11356	3.4
265.14441	94.0
266.14697	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	265.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97431	0.9
56.61422	0.9
58.00595	5.7
59.01383	7.6
59.23242	1.0
69.03471	2.6
69.56822	1.7
69.57236	7.6
71.01393	2.8
78.95917	3.7
79.95757	4.2
80.96536	1.6
85.02965	2.4
87.00887	2.3
93.03491	1.1
95.95255	4.3
96.96020	57.8
105.03470	1.2
108.02194	2.2
119.05057	1.6
123.00887	3.0
123.04546	4.2
124.01668	3.1
129.13412	1.1
131.05049	2.0
132.02153	2.8
133.02972	2.6
134.03729	3.7
135.02757	2.4
135.04544	5.4
136.01634	1.5
145.02997	5.6
146.03705	1.6
147.04541	27.1
148.05325	21.2
149.06105	9.9
150.06773	1.7
151.04033	1.9
154.80083	1.0
158.03746	1.6
159.04539	22.0
160.01688	8.1
160.05304	12.5
161.02501	5.8
162.03256	2.6
162.06850	3.3
163.04060	14.4
163.07574	1.1
164.04620	1.1
169.02963	3.4
170.03711	5.6
171.04538	4.2
173.02385	2.6
174.03246	14.6
175.04022	21.0
175.07680	1.2
176.04823	13.5
177.02002	1.9
177.05553	8.0
178.04800	2.5
178.06371	50.3
179.01712	1.4
179.06784	2.6
185.11906	1.4
187.04047	15.7
188.04799	87.9
189.05489	10.4
190.02661	3.4
191.03514	3.9
191.07181	6.0
193.08719	30.1
202.02774	1.1
203.03459	1.5
203.07144	16.3
205.05038	2.3
206.02187	1.4
206.05844	29.7
207.06223	1.7
221.08195	100.0
222.08473	4.9
236.27744	1.2
240.99857	1.1
265.07529	10.9
266.06448	37.9
281.37253	1.1
287.32678	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	263.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27327	0.2
53.62739	0.2
59.01378	100.0
60.01724	1.0
70.75016	0.8
71.01382	0.6
73.02974	0.7
96.96006	0.3
98.20261	0.3
101.02448	0.5
159.83708	0.2
166.70644	0.2
205.76082	0.2
272.93140	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2015
Annotation	KDC 165
Peak:m/z	Relative Intensity
59.01380	3.3
64.10478	0.5
70.09262	1.8
70.09666	1.3
80.21161	0.5
83.05036	0.6
92.93076	0.5
149.49467	0.6
173.39549	0.6
196.45271	0.6
219.20953	0.7
254.46904	0.7
263.20139	100.0
264.20486	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	265.0715
Annotation	Dihydrocitrinone
Peak:m/z	Relative Intensity
57.03433	1.9
58.00597	6.7
58.80732	1.1
59.01373	13.6
69.03445	3.9
71.01395	6.1
71.72245	1.9
72.99328	1.8
73.02957	1.4
79.95734	7.9
80.96532	2.5
83.01410	1.3
85.02953	7.0
87.00876	5.4
91.01903	3.3
95.95255	4.6
96.96020	94.5
99.00863	1.9
101.02464	2.0
108.02184	3.8
111.00930	1.3
119.05029	1.7
121.02978	1.4
122.03751	1.7
123.00900	3.2
123.04523	4.9
124.01684	4.2
124.04031	1.5
131.05040	1.5
133.02956	1.9
134.03761	9.6
135.02805	7.0
135.04556	8.0
136.99120	1.3
138.97073	1.6
145.02975	6.3
147.04543	20.8
148.05342	24.6
149.04961	1.7
149.06084	13.2
150.03210	3.0
150.06807	1.8
158.03773	3.0
159.04527	22.7
160.01636	6.8
160.05327	14.5
161.02484	7.9
162.03247	3.7
162.06802	2.5
163.04018	14.1
163.07655	1.3
164.04698	1.2
169.02966	3.4
170.03764	4.6
171.04517	4.1
172.07695	11.5
173.02391	2.7
174.03256	16.5
175.04018	22.5
175.07617	2.4
176.04797	13.9
177.01997	2.0
177.05586	12.4
178.02917	2.6
178.04793	2.8
178.06364	54.2
179.06851	3.3
185.11777	1.4
186.03226	1.8
187.04024	15.2
188.04805	94.6
189.05489	11.9
190.02661	4.7
191.03532	7.2
191.07117	9.0
192.10327	1.7
193.05089	5.8
193.08702	28.1
194.09047	1.5
197.97218	1.4
203.03566	2.2
203.07149	17.5
204.04463	1.3
204.07558	1.6
205.05049	2.8
206.02446	1.9
206.05844	26.9
209.04597	1.4
219.06682	2.5
220.03757	2.4
221.08179	100.0
222.08408	5.9
235.06204	1.7
241.00191	2.2
256.99786	2.3
265.05103	1.3
265.07462	16.5
265.12891	1.6
266.06464	62.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10833	1.1
53.20473	1.2
57.03438	3.5
57.53125	1.0
58.02697	1.8
58.02974	18.8
59.01374	7.5
69.03464	3.2
70.02954	5.8
70.12500	1.7
70.12907	3.9
71.01385	4.2
72.00917	1.6
72.99313	2.3
73.01170	1.6
73.02944	1.6
74.02477	29.3
75.64800	1.0
83.01382	1.3
84.04549	22.8
85.02958	36.2
86.02480	5.8
87.00882	1.8
87.02743	10.9
87.04524	3.7
87.33663	1.0
88.04044	1.2
89.02482	1.0
92.05061	13.0
93.03474	1.6
96.04561	59.4
96.96018	40.8
97.02956	7.6
98.02481	17.7
98.95571	2.6
99.00889	4.1
99.04510	1.6
101.02422	1.7
102.98611	4.4
110.02493	4.0
111.00947	2.4
111.04556	1.7
112.04044	2.4
112.98820	3.5
115.04045	2.8
116.03551	13.4
116.05047	1.8
118.02990	3.1
118.06629	2.2
119.05000	3.1
120.04568	3.2
122.96976	1.1
128.03554	61.0
129.01958	8.8
129.03926	3.1
130.06653	7.5
131.01747	14.0
131.03786	54.1
132.04573	100.0
133.04906	4.7
140.03572	2.4
140.05057	4.3
141.01968	3.6
142.01471	11.1
144.04559	17.8
146.06126	4.6
149.04613	1.5
157.07718	22.2
158.04610	12.3
158.06114	25.9
159.02997	1.9
159.06393	1.6
160.04053	1.8
170.01489	1.3
172.02505	2.4
174.05881	1.6
175.04001	2.0
175.08786	21.6
176.09122	1.3
181.05084	3.2
181.07034	1.1
198.98653	1.0
199.00635	1.4
199.08766	9.0
200.05678	1.4
201.06639	6.7
201.11359	4.0
202.03606	4.6
202.05232	1.2
202.06908	1.0
217.09901	8.3
217.84538	1.0
219.05396	2.0
219.07727	24.4
219.12347	5.0
220.07893	2.1
243.07814	7.1
261.00330	8.2
261.03116	13.6
261.08774	70.8
262.05994	5.5
262.09097	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	262.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.1
57.03448	6.2
58.02961	3.1
59.01382	6.7
69.03462	5.9
69.82278	2.9
69.82689	2.4
70.02978	4.8
71.01389	5.8
72.00906	1.3
72.99316	1.8
73.02934	1.2
74.02461	3.0
75.00872	1.0
78.56008	0.9
78.86290	0.8
82.02965	1.0
83.01396	1.6
84.04539	1.6
85.02957	53.7
86.02505	1.3
87.00880	1.0
87.02727	1.1
87.04532	7.5
89.02441	1.3
96.00935	1.5
96.04556	100.0
96.96020	3.0
97.02955	8.4
97.04882	2.2
98.02477	3.4
99.00910	5.0
101.02432	1.0
110.02451	1.1
111.04546	1.3
112.04048	3.8
112.98724	1.7
113.02493	1.1
114.01977	2.2
114.05611	2.8
114.98392	0.9
115.04021	4.0
116.03534	1.5
126.05637	2.0
128.03555	8.6
129.01956	14.7
129.03905	2.0
131.03746	2.6
132.04085	2.5
133.04895	4.6
133.33475	0.9
138.05588	1.0
140.03535	2.7
141.01971	5.0
142.01454	19.5
142.99884	1.4
144.03023	1.3
144.04584	1.1
144.06677	1.1
145.04944	1.3
156.38918	0.9
158.04611	19.3
158.08029	2.1
159.03006	3.1
159.06450	2.7
171.01088	1.4
172.02502	2.6
176.09094	1.6
176.44397	1.4
185.88295	1.0
202.03569	7.8
219.05043	1.9
220.08057	3.2
244.08067	1.1
262.03333	1.6
262.05893	5.1
262.09097	10.2
263.05701	7.5
273.19205	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0878
Annotation	(+)-Neothramycin B
Peak:m/z	Relative Intensity
54.05116	0.5
55.26571	0.5
57.20732	0.5
58.02982	1.3
59.01379	6.1
64.55091	0.5
70.02979	10.8
71.49509	0.8
72.04551	4.8
74.02476	100.0
75.02830	1.0
84.04544	1.3
91.46424	0.6
96.04591	0.6
96.96026	1.2
98.02488	25.3
99.02805	0.8
116.03548	55.7
117.03871	1.5
128.03558	7.3
131.03809	2.2
132.04567	33.5
133.04919	1.3
140.55363	0.5
144.04572	6.2
157.07677	1.0
158.06166	1.7
173.07210	1.2
175.08734	2.7
201.06721	14.0
202.07091	1.4
217.09837	1.6
219.07751	4.1
219.12378	0.7
232.25505	0.6
243.07729	1.3
261.08801	36.6
262.09262	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	259.0223
Annotation	D-Hexose 6-phosphate
Peak:m/z	Relative Intensity
50.19731	0.7
59.01369	6.0
60.80816	0.7
64.38174	0.7
71.01360	3.3
71.66471	1.4
73.02946	0.9
74.02452	3.4
78.95906	81.1
79.95725	2.3
80.39767	0.7
80.96525	3.5
84.00875	1.0
85.02894	1.3
87.00871	1.2
87.05624	3.2
89.02423	1.2
94.10793	0.7
95.01422	0.8
96.95988	92.8
96.96941	73.5
96.97566	1.6
101.02450	1.9
107.79939	0.8
112.04056	1.1
113.02416	1.9
121.24397	0.8
131.04605	0.8
133.69844	0.8
138.97089	30.8
138.98027	3.5
141.13499	0.7
153.06708	0.9
168.98032	3.5
168.99278	0.9
171.00716	0.9
197.05621	2.0
198.99152	35.1
199.99472	1.0
213.05176	6.1
223.00079	0.8
241.01097	1.4
241.04529	2.7
259.01260	100.0
260.01672	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	259.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01091	1.5
59.01379	21.2
70.61864	0.7
72.25212	0.7
79.95750	1.1
89.84812	0.7
96.04008	0.7
96.96021	7.0
98.20763	1.1
102.85416	0.8
137.09735	7.4
153.09244	1.2
155.10796	100.0
156.11136	6.3
170.50511	0.7
171.10284	21.4
172.10695	1.2
181.08727	2.1
199.09773	38.7
200.10123	1.7
215.12891	1.3
217.10812	93.9
218.11171	5.6
229.82089	0.7
259.02820	1.5
259.11856	22.4
260.02530	0.8
260.12183	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	259.0128
Annotation	D-Galactose 6-sulfate
Peak:m/z	Relative Intensity
58.44909	1.0
59.01373	5.6
59.88145	0.9
71.01374	3.4
71.71416	1.6
73.02928	1.6
74.02479	1.1
78.95914	39.9
79.95737	1.6
80.96510	3.8
87.05644	2.1
87.71053	0.9
88.07873	0.9
88.50589	0.8
89.02440	2.2
96.96008	89.6
96.96962	41.4
101.02417	1.8
108.90210	1.4
122.27690	0.9
135.03018	1.3
135.74414	0.8
138.96037	1.7
138.97096	28.9
138.98035	1.6
140.28552	1.0
168.98129	3.2
187.58089	0.9
197.05692	1.0
198.99168	33.8
213.05212	1.8
221.07515	1.2
247.07642	0.9
259.01270	100.0
260.01544	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	259.0223
Annotation	D-Allose 6-phosphate
Peak:m/z	Relative Intensity
57.03428	2.9
59.01376	12.0
68.78764	1.5
71.01378	11.8
71.70531	2.6
72.99294	2.6
74.02455	2.0
78.95910	41.0
79.95750	9.8
80.96493	3.0
83.01374	4.9
85.02942	5.3
87.00850	3.4
87.05661	2.5
88.98814	1.6
89.02418	1.8
93.96216	1.6
96.95992	100.0
96.96947	39.5
98.02431	1.6
99.00880	10.5
101.02432	2.5
110.98499	2.1
111.00911	10.1
112.98824	26.6
115.00383	1.9
117.61274	1.4
119.04980	3.6
128.03513	3.6
128.07185	9.5
129.01968	7.3
130.03311	1.9
138.96085	1.6
138.97096	28.9
141.99467	1.6
145.01434	2.4
153.07570	2.4
155.05347	1.4
168.98094	4.2
173.00899	5.0
175.41815	1.7
180.06595	5.0
191.01900	3.1
197.07985	1.5
198.99138	23.9
199.00714	2.0
213.05052	2.6
241.00981	2.7
241.04974	2.3
242.55511	2.0
259.01218	94.6
259.08185	2.4
260.02292	13.7
278.10019	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	257.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08530	0.7
53.68127	0.7
55.01881	0.9
57.03446	25.4
59.01370	4.3
69.03471	1.2
69.61633	4.5
69.62041	1.9
71.01387	1.2
72.99305	1.6
73.02968	1.2
75.00892	1.8
79.95737	7.8
80.54700	0.7
80.96530	1.3
81.03470	1.2
82.02985	1.4
83.05029	5.7
85.02964	1.4
85.06614	4.5
87.00867	0.8
87.31374	0.9
92.43821	0.7
95.05046	2.1
95.95243	13.0
96.96019	60.6
97.02979	1.5
98.03750	8.3
98.19934	1.4
98.20581	1.8
98.95599	2.2
101.02454	5.8
107.05064	1.1
109.06631	1.8
111.08171	1.6
116.92874	2.5
119.05044	0.9
119.96811	1.0
120.99674	0.9
121.02985	0.7
121.06586	0.9
122.60732	0.8
123.08177	3.7
124.05316	7.7
125.09734	1.1
129.05597	1.2
134.03752	22.7
135.04088	1.2
137.02478	2.7
137.09724	10.4
138.06882	5.2
138.97096	1.9
139.04002	1.7
139.07674	30.2
140.07985	1.1
149.06108	10.1
149.09718	3.2
150.97076	1.1
151.11328	2.2
152.98650	2.8
153.09222	17.6
155.10793	100.0
156.11116	6.8
159.97627	4.6
162.06860	1.1
165.12851	2.1
167.14536	1.0
177.04054	2.1
177.09167	1.0
177.12805	1.2
178.02733	8.1
179.03090	1.4
183.13907	0.9
184.57674	0.8
185.15479	3.1
193.05069	16.4
194.05447	1.2
195.13914	15.9
196.14221	1.9
199.09752	4.7
203.96948	0.7
213.14958	56.6
214.15295	5.6
215.09250	3.3
217.02629	42.7
217.52815	8.3
218.02859	2.6
241.00230	44.8
242.00473	3.1
242.99982	1.7
256.99750	7.3
257.13922	95.2
257.23871	5.8
258.02939	0.9
258.14240	10.4
268.52811	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	6.5
57.20374	0.6
59.01373	3.5
64.47338	0.7
68.05054	0.8
68.12415	0.7
70.03001	0.9
71.01387	2.6
71.71713	0.8
72.00915	4.5
74.02473	8.2
75.00885	1.1
79.95782	0.8
82.02996	5.7
83.05032	1.8
84.04555	9.8
85.02954	2.1
86.02483	4.1
96.04579	0.9
96.96016	9.4
96.96981	0.7
97.06600	0.7
98.02526	1.3
98.03767	1.6
99.05671	1.2
99.08193	0.7
101.02492	0.9
101.07219	3.5
109.02986	1.1
109.04079	3.8
109.07697	1.2
110.02525	1.4
111.03310	0.8
111.04531	0.9
112.04060	10.2
113.06084	0.9
120.99652	3.4
122.99230	2.3
123.00074	0.9
123.08150	1.3
124.05312	1.7
125.03540	0.8
126.02823	0.7
126.05630	0.9
127.05150	23.1
127.08785	1.4
128.03554	32.0
128.05563	0.9
128.07219	7.2
129.03874	1.0
130.08772	2.5
136.07695	1.2
137.07231	0.9
137.09743	2.9
138.06873	1.2
139.05154	1.2
139.07724	6.2
151.07741	0.9
153.06783	1.2
153.09210	4.7
155.08276	2.5
155.10806	17.2
156.06628	0.9
156.11163	1.2
165.02069	0.7
169.13565	1.5
177.04036	1.4
182.08249	0.8
185.05779	1.5
195.06761	0.7
195.11427	6.7
195.13960	3.0
196.09750	0.7
211.10962	0.8
213.12492	5.8
213.15009	9.5
214.15338	1.3
215.09329	1.2
217.02638	0.9
239.10370	15.8
239.12680	1.1
240.10919	1.0
241.00294	2.6
256.99637	5.4
257.06857	3.5
257.11459	100.0
257.13974	17.4
257.23779	5.2
258.11755	9.3
258.14569	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	253.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01712	1.2
61.98825	1.4
69.44060	0.6
69.78825	2.5
69.79251	1.4
71.01398	1.2
73.02957	1.7
77.00672	4.1
83.01434	1.4
85.02974	1.0
87.00897	1.2
99.00893	1.1
101.02459	2.0
119.49327	0.6
120.01270	15.0
120.99696	2.6
155.03638	0.6
161.04590	8.9
162.04826	0.6
193.07193	25.2
205.61195	0.6
253.03241	2.7
254.01756	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90697	0.5
59.01378	100.0
60.01725	0.8
61.98830	7.1
69.03460	0.6
69.74720	2.8
69.75127	1.1
71.01388	1.9
73.02955	2.1
77.00690	1.3
85.02952	2.5
87.00887	1.5
94.73086	0.5
95.01299	0.5
97.02973	1.1
99.00925	1.5
101.02441	2.6
111.04539	1.2
113.02443	0.5
120.01276	9.1
120.99654	2.3
125.02516	0.7
129.01900	0.4
149.09727	0.8
155.03511	0.5
159.49890	0.5
161.04578	6.4
163.11343	1.1
167.10837	1.4
193.07178	20.9
193.12326	0.6
194.07510	0.8
202.99525	0.6
213.52567	0.5
221.04137	0.5
221.36565	0.6
253.03271	1.9
253.09470	0.6
253.14569	0.8
254.01642	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1445
Annotation	Nardosinanol H
Peak:m/z	Relative Intensity
55.52295	1.0
55.73235	1.2
57.03445	11.5
58.27110	1.3
59.01377	100.0
60.01701	1.7
69.03461	1.6
69.73508	4.9
69.73940	4.4
71.01382	10.5
71.37163	1.1
73.02951	21.9
81.03468	1.2
83.05029	5.2
84.86901	1.3
85.02961	37.6
87.04516	1.5
93.03432	1.6
95.05048	3.9
97.06598	1.6
99.04518	13.2
101.02451	1.9
105.07088	2.5
109.06570	7.2
111.04532	75.8
111.44299	1.1
112.04835	2.3
113.06104	4.3
121.06609	2.8
123.08195	8.0
125.06110	9.0
134.07417	2.9
135.08118	7.1
137.06010	1.2
137.09746	13.0
138.06894	3.2
138.10048	1.7
139.07672	3.2
147.08232	1.2
148.08885	2.9
149.09737	37.7
150.10063	3.1
152.08434	1.5
153.09253	6.3
154.82153	1.2
161.04573	3.5
161.09715	2.6
163.11304	57.1
164.11647	3.7
165.12831	1.7
167.10786	72.8
168.11095	4.7
175.11258	2.6
177.09253	10.0
179.10789	4.3
191.10805	3.7
193.07280	10.1
193.12354	24.6
194.12668	1.7
197.08200	1.5
199.11171	1.9
201.09303	1.9
209.11781	1.7
211.13393	3.2
217.12326	30.4
218.12660	2.3
225.15001	1.4
235.13393	41.3
236.13710	4.7
253.14438	38.9
254.14742	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	253.0322
Annotation	L-Djenkolic acid
Peak:m/z	Relative Intensity
59.01379	2.5
65.52972	0.2
71.01382	0.6
71.71337	0.4
72.99317	0.5
75.50641	0.2
78.95914	0.5
85.02960	0.9
101.02462	0.3
106.41912	0.2
107.20781	0.2
120.01271	100.0
120.99681	3.1
121.01668	2.0
126.99165	0.2
132.01270	0.7
133.32770	0.2
136.78015	0.2
153.94077	0.2
163.02512	0.3
166.00034	1.2
178.51448	0.2
193.02348	0.2
193.07217	0.5
200.16188	0.2
222.99182	0.2
253.03218	16.8
254.01457	0.7
254.03522	1.0
265.66846	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	7.7
55.02113	1.5
55.22591	1.5
57.03442	15.8
59.01376	27.4
67.60927	1.2
68.84109	1.2
70.83791	4.0
71.01386	5.6
73.02945	2.2
74.16404	1.2
75.00878	5.1
83.01412	2.9
84.02166	2.8
85.02954	100.0
86.03309	2.8
89.72009	1.3
99.00882	4.9
101.02449	1.8
103.00390	6.0
111.00902	3.9
129.01962	10.1
147.03004	14.7
165.04105	7.6
173.00920	2.8
191.01979	25.2
192.02431	1.4
203.76648	1.4
207.05080	5.5
233.03001	1.7
251.04056	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	253.0322
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.5
65.52972	0.2
71.01382	0.6
71.71337	0.4
72.99317	0.5
75.50641	0.2
78.95914	0.5
85.02960	0.9
101.02462	0.3
106.41912	0.2
107.20781	0.2
120.01271	100.0
120.99681	3.1
121.01668	2.0
126.99165	0.2
132.01270	0.7
133.32770	0.2
136.78015	0.2
153.94077	0.2
163.02512	0.3
166.00034	1.2
178.51448	0.2
193.02348	0.2
193.07217	0.5
200.16188	0.2
222.99182	0.2
253.03218	16.8
254.01457	0.7
254.03522	1.0
265.66846	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	0.8
61.98830	100.0
63.30001	0.5
71.36198	1.3
116.92905	0.6
129.91814	0.5
131.89842	0.5
138.32199	0.5
140.54424	0.5
158.93896	0.7
173.40839	0.6
177.14546	0.5
222.95576	0.6
245.01035	1.0
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	Glycerophosphoglycerol
Peak:m/z	Relative Intensity
52.66791	0.9
59.01369	5.6
67.94895	0.7
70.43184	3.6
71.01399	3.0
72.99311	2.9
78.95905	92.5
79.95787	1.0
80.96538	3.0
84.85269	0.8
85.02994	1.2
87.00898	1.1
89.02453	4.3
94.98090	7.1
96.96973	11.1
101.02466	7.1
108.90213	4.2
119.03527	7.1
136.90825	1.0
145.07030	1.1
147.03059	2.6
152.96063	2.3
152.99600	75.6
153.99951	1.8
170.97101	2.9
171.00658	36.5
171.02106	1.9
172.01022	0.9
172.06223	2.8
195.15556	1.0
209.06784	3.0
245.04343	100.0
246.04692	5.3
246.66202	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0931
Annotation	N-Acetyl-DL-tryptophan
Peak:m/z	Relative Intensity
50.62334	1.0
55.51764	1.3
58.02977	25.5
65.95023	1.0
70.02985	16.4
72.00921	4.3
72.04543	4.7
74.02477	100.0
98.02484	24.8
116.02789	2.1
116.03563	29.9
116.05070	37.7
117.05417	2.2
130.06676	5.3
142.06635	7.6
159.09244	6.7
163.29953	1.1
186.05663	1.6
201.10342	8.9
203.08267	82.4
204.08676	7.2
213.30710	1.1
245.09311	94.8
246.09688	10.8
255.80682	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	245.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21465	0.4
54.68413	0.4
57.03453	0.6
57.76997	0.3
58.02976	1.0
59.01377	41.4
60.01707	0.6
68.90557	0.3
69.48438	1.7
69.48868	2.8
70.02985	0.4
73.74445	0.4
74.02462	3.0
78.31973	0.4
78.95910	1.4
85.06561	0.5
96.83416	0.4
96.96024	0.5
96.96983	1.9
98.02505	0.5
98.20638	0.8
102.26657	0.4
116.03538	0.5
116.05080	1.1
127.11317	4.6
139.11313	1.8
142.06639	1.4
155.10805	2.6
157.12357	17.9
158.12695	1.2
185.11827	15.2
186.05557	0.7
186.12144	0.9
203.08319	2.2
203.12886	100.0
204.06705	0.5
204.13231	7.9
245.04646	0.5
245.09451	2.9
245.13913	6.6
245.16182	0.7
246.14293	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67047	0.2
54.67294	0.3
57.03449	1.2
59.01379	41.6
60.01707	0.6
62.92884	0.3
68.91537	0.3
69.80299	0.3
71.18972	0.7
73.41749	0.3
74.02489	0.8
78.95920	0.3
98.02496	0.3
111.08201	0.4
113.09739	1.3
116.03596	0.3
116.05103	0.4
121.42397	0.3
125.09760	1.1
127.11308	1.3
130.06660	0.4
139.11302	1.5
141.05139	0.3
141.09273	0.5
142.06635	6.8
143.76665	0.3
155.10811	2.8
157.12352	17.5
158.06096	0.8
158.12724	0.9
185.11830	15.1
186.05658	2.2
186.12239	1.5
198.79733	0.3
201.11371	0.7
203.12885	100.0
204.06686	4.3
204.13205	7.1
244.61308	0.3
245.04425	0.5
245.09303	1.0
245.13908	7.2
246.14149	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49239	2.3
59.01381	92.0
67.44212	2.3
71.01376	7.2
71.05024	5.2
71.72824	3.9
72.99305	3.0
73.02930	2.9
79.95745	4.9
82.43170	2.3
85.02919	3.2
96.96011	14.5
96.96973	2.7
98.95597	25.0
99.04527	16.1
103.00360	18.4
115.04004	8.0
117.05586	8.0
143.07077	3.9
147.04561	4.4
161.08200	100.0
161.09547	4.9
162.08516	6.3
165.05602	4.6
175.03992	3.1
203.09236	2.7
217.09979	2.9
232.03735	3.8
247.00717	2.8
247.06125	12.0
247.11186	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	247.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99415	2.1
59.01381	84.2
67.09661	2.2
67.42307	2.7
69.67630	17.7
71.05013	6.2
82.44015	2.3
87.04502	4.4
96.96049	5.9
98.19935	2.4
98.95618	2.9
99.04535	15.5
103.00409	14.7
115.04006	8.5
117.05578	5.7
143.07147	2.9
161.08217	100.0
162.08568	5.0
203.09276	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	249.1494
Annotation	Sch 601254
Peak:m/z	Relative Intensity
54.41805	1.5
56.57385	1.5
57.03460	2.1
59.01377	26.9
60.39300	1.4
61.98815	8.1
67.03988	1.3
69.03455	29.1
71.01361	2.1
73.02950	1.7
83.05028	2.0
95.05059	3.3
96.35948	1.4
96.87360	1.8
96.96018	2.6
97.06563	2.2
98.19847	4.8
101.02445	1.6
101.89283	1.7
117.03466	2.5
123.09150	1.4
134.07388	2.3
149.13327	2.2
151.11285	2.1
161.02460	3.8
162.01898	1.9
167.10771	4.0
177.01921	2.4
177.96631	2.3
182.60561	1.6
187.14954	3.6
193.12344	6.9
205.12299	9.3
205.15981	10.3
206.12718	1.9
221.15443	15.0
222.15724	1.9
231.13889	30.8
232.13948	2.0
248.97124	2.2
249.00267	2.2
249.07715	2.3
249.14964	100.0
250.14478	34.4
265.01630	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	249.1858
Annotation	roughanic acid
Peak:m/z	Relative Intensity
51.26954	0.4
59.01372	4.1
61.98826	1.9
65.52538	0.6
67.99490	0.5
70.25824	1.9
71.01373	0.5
80.38153	0.4
83.04989	0.5
116.92898	0.8
125.02451	0.5
161.02412	1.2
205.01393	1.0
205.15916	1.7
205.19615	1.4
231.17520	0.9
234.05159	0.5
248.97256	2.6
248.99979	0.7
249.15034	3.1
249.15085	2.8
249.18579	100.0
250.14497	23.0
250.18764	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1238
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
52.26588	0.5
53.43275	0.5
59.01385	3.0
61.98833	4.8
63.36376	0.5
69.85346	0.5
71.01386	1.8
71.05015	1.6
71.73309	0.8
72.99294	0.7
73.02946	2.4
83.05024	0.7
96.96019	1.5
97.02954	1.5
97.06579	0.8
99.00888	6.4
99.68020	0.6
103.04061	0.5
110.02512	0.6
110.03830	0.5
111.00893	0.9
111.04506	1.1
125.09712	1.9
131.03479	1.7
138.05595	0.6
153.12885	1.4
155.14445	1.3
163.11317	3.0
169.12355	0.9
179.10684	1.4
181.12331	12.7
182.12683	1.2
197.11903	2.9
199.13400	37.0
200.13782	3.1
201.11351	0.6
207.10275	12.0
208.10583	1.2
225.11322	26.0
226.11671	2.4
241.00252	1.2
243.12350	100.0
244.12683	9.5
262.52435	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1239
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
52.76199	0.6
55.01868	0.8
57.03449	1.4
59.01379	4.8
59.34803	0.5
61.98832	3.5
69.03455	1.4
69.62998	5.1
71.01382	4.9
71.05013	3.7
73.02954	9.9
81.03459	0.7
82.74485	0.6
83.05032	1.7
96.96019	3.8
97.02973	5.4
97.06609	1.4
98.19843	0.6
98.95602	1.8
99.00892	19.5
99.04556	1.0
103.04022	1.7
109.06597	1.7
110.03761	2.8
111.02927	0.6
111.04504	2.0
123.08173	1.6
124.83750	0.5
125.09758	5.7
126.59144	0.6
127.11350	1.4
131.03525	9.1
135.08197	1.0
135.11803	1.2
136.05321	1.4
139.11284	2.5
142.02734	1.4
148.05295	2.5
149.05629	0.7
151.11252	0.7
153.13028	0.7
155.14433	1.7
163.07681	1.2
163.11324	9.0
164.11610	0.9
167.14450	1.9
175.47205	0.6
177.06680	1.8
179.10782	6.7
180.11139	0.9
181.12358	23.5
181.13972	1.3
182.12721	2.8
183.10324	1.1
190.85838	0.7
195.13918	1.2
197.11807	0.8
197.15480	21.5
198.15797	1.9
199.13409	19.0
200.13797	1.9
201.11372	0.6
207.10272	42.6
208.10594	4.6
225.11320	80.7
226.11673	6.8
241.00227	2.2
243.00026	2.1
243.02940	1.7
243.12361	100.0
243.16011	77.7
244.12698	9.9
244.16322	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	243.0621
Annotation	Uridine
Peak:m/z	Relative Intensity
50.12489	0.5
53.69694	0.6
55.01870	0.7
59.01384	1.3
64.72147	0.5
66.03491	14.8
67.03065	0.6
68.01414	2.9
70.02969	1.2
70.03622	3.2
71.01375	3.1
82.02990	28.7
83.01392	1.0
83.03304	0.6
84.04564	0.9
94.03005	2.9
95.01391	1.0
96.00916	0.9
96.04581	2.7
98.02511	0.5
99.00846	0.9
101.07224	0.5
106.35912	0.5
108.04568	2.6
110.02489	100.0
110.74782	0.5
111.00880	0.9
111.02016	8.1
111.02834	2.8
112.98841	1.8
114.01961	0.8
114.05601	1.2
117.01967	1.6
122.02496	8.3
124.04060	4.1
127.05136	2.0
128.03549	2.3
129.01991	1.0
129.10371	2.4
132.03014	1.2
138.05595	0.6
140.03564	11.9
142.99843	1.2
152.03551	18.6
153.03056	11.2
153.04163	0.8
155.11792	0.6
173.00928	1.8
182.04645	1.2
200.05649	41.5
201.06012	2.8
201.83194	0.5
205.03365	0.7
210.98331	0.7
225.08772	0.6
226.12006	2.2
243.06206	35.5
243.09792	4.3
243.75513	0.6
244.06596	3.0
244.10216	0.5
244.12968	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	241.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.6
59.01379	4.1
61.98831	22.7
62.73927	0.6
67.19584	0.6
68.99838	0.6
69.03481	0.8
70.96476	1.7
71.01385	0.7
73.02914	0.9
75.00816	0.6
81.03439	1.2
81.45583	0.6
83.05024	4.2
83.26669	0.6
85.02946	0.6
89.02441	0.8
95.05032	1.5
96.96018	5.5
97.06597	9.3
97.93153	1.7
101.02479	1.0
103.92039	6.2
109.06631	1.6
111.08163	9.3
118.91853	1.1
119.05062	2.2
122.39295	0.7
123.08261	0.8
125.02452	0.8
147.11807	1.2
149.09634	0.9
149.91347	2.3
153.01921	0.6
156.97820	0.6
163.11250	3.3
165.12862	100.0
166.13194	7.8
177.09108	0.8
178.05309	0.6
178.99991	0.6
181.07237	3.1
195.13943	1.1
195.67963	0.7
195.90533	1.0
197.15486	29.3
198.15810	2.3
202.02089	3.3
209.11870	5.9
210.12195	0.7
213.91701	4.4
225.18108	0.6
227.12968	1.1
230.84488	0.6
240.90352	0.9
241.00110	5.8
241.05046	0.8
241.07184	0.8
241.10794	1.3
241.14464	7.2
241.18069	3.3
241.21727	5.6
242.11763	0.6
242.14876	1.0
242.17703	2.0
260.49850	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1083
Annotation	1-Acetoxy-7-hydroperoxy-3,7-dimethyl-2E,5E-octadien-4-one
Peak:m/z	Relative Intensity
59.01378	100.0
59.63788	0.3
60.01714	1.4
61.98832	3.3
71.01405	0.5
71.72764	0.3
71.73164	0.4
72.28542	0.3
73.02969	0.6
79.95751	1.0
81.03490	0.4
95.50896	0.3
95.65223	0.3
96.96021	7.1
96.96603	0.5
100.42661	0.3
123.08144	0.3
132.03191	0.3
135.57463	0.3
137.09769	0.3
138.42732	0.3
148.05327	0.6
161.06129	0.5
165.17517	0.3
172.47658	0.3
181.07253	1.0
195.13963	1.4
197.11829	2.1
197.15543	1.2
199.09827	0.6
202.02203	0.8
241.00212	8.1
241.05412	1.3
241.10822	1.1
241.14452	5.6
241.16837	0.3
241.18097	0.8
241.21729	2.1
242.00452	0.3
242.14798	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21323	2.0
57.03437	3.7
59.01371	17.8
61.28609	2.2
61.98524	2.3
61.98825	26.3
66.24879	2.1
68.99807	2.8
71.01389	12.7
71.71326	3.1
72.99297	5.9
73.02950	1.8
74.99090	17.1
75.00816	2.2
78.95494	3.8
78.95911	60.2
79.95717	7.1
80.96539	2.1
83.01382	4.7
85.02946	4.1
87.00887	10.5
90.98596	2.6
95.45673	2.0
95.95226	3.2
96.00899	2.8
96.95988	71.5
96.96945	100.0
97.02932	2.3
99.00873	10.7
101.02386	3.2
108.97849	5.4
109.06593	2.3
109.43027	2.0
111.00838	5.8
112.98806	21.0
115.00357	4.1
119.05032	15.6
127.05052	2.7
128.03551	2.7
129.01910	7.4
139.07384	2.0
139.63049	1.8
142.99858	22.9
144.06590	2.6
145.01378	4.7
145.06155	3.0
159.97571	2.1
163.03958	9.1
173.00917	22.5
174.01306	2.1
195.04076	3.8
197.08060	2.6
198.07594	2.2
199.06114	5.3
202.00439	2.8
202.02129	36.7
205.03516	13.4
208.98521	5.0
210.51299	2.1
241.00172	82.6
241.03418	3.7
241.07083	6.2
241.21645	3.5
242.00706	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	241.012
Annotation	D-myo-Inositol 1,2-cyclic phosphate
Peak:m/z	Relative Intensity
53.52476	0.5
55.01868	0.8
57.03456	3.6
59.01106	1.1
59.01377	17.0
60.97511	1.2
61.52876	0.6
61.98830	22.5
63.96223	0.8
65.00332	0.7
67.01882	1.2
68.99796	1.4
69.03445	1.1
69.42434	0.7
70.02954	0.8
71.01383	12.6
71.70792	1.3
72.99319	5.6
73.02930	2.5
73.76675	0.7
74.02478	0.8
74.99100	16.0
75.00864	2.4
76.73335	0.8
78.95908	40.8
79.95741	5.2
80.96503	2.3
81.03455	0.8
82.02969	1.3
83.01400	4.2
83.05032	0.9
85.02949	5.7
87.00889	5.8
89.02426	2.6
90.98613	1.0
93.03454	1.0
93.07076	1.1
94.02948	1.0
95.01382	0.7
95.95238	3.5
96.00890	1.1
96.95998	82.5
96.96950	83.1
97.02953	1.3
98.02457	1.5
99.00886	8.5
101.02454	4.0
107.05044	1.0
108.97851	2.6
109.02925	1.0
109.06578	1.7
110.00682	0.7
110.02449	0.7
111.00889	6.4
112.04057	0.7
112.98823	24.7
113.06087	1.1
113.99108	0.9
114.05566	2.0
115.00379	3.7
117.01909	1.4
117.03413	0.7
119.05043	18.8
120.04520	0.8
120.97866	2.0
120.99626	0.8
121.02945	1.4
123.04495	1.2
123.06592	0.7
123.08150	0.8
124.03996	0.6
124.98838	0.9
125.06049	0.7
127.00378	1.1
128.03493	1.8
128.07195	1.0
129.01958	7.8
130.02263	0.9
131.07133	1.1
135.00912	1.2
135.04546	1.3
135.08147	1.7
136.07712	1.3
136.99171	3.0
137.02376	0.7
137.06126	1.5
137.08032	0.8
138.97060	2.3
139.07637	1.0
142.99870	23.0
144.00108	0.8
145.01440	4.3
150.03242	0.8
150.97029	1.2
151.05119	2.0
152.98624	2.3
153.05583	1.4
153.09166	1.3
153.10358	0.7
153.99689	1.0
159.97618	1.4
163.02994	0.7
163.04021	8.2
164.04802	1.0
168.04189	2.2
173.00912	23.6
174.01173	1.0
178.99870	1.7
179.07014	1.3
180.98099	2.3
181.01416	0.9
181.04964	0.9
181.07059	2.0
191.01936	1.3
193.05057	1.3
195.04166	4.7
197.01006	1.1
197.04445	1.0
197.08141	4.0
197.11699	0.7
198.07710	1.9
199.06059	3.9
202.02124	36.3
205.03517	13.9
208.98384	5.6
211.06004	0.8
225.00673	1.5
241.00189	100.0
241.06915	12.2
241.10872	1.3
241.14351	0.9
241.17987	0.8
241.21559	1.9
242.00456	5.7
242.06967	2.0
242.10078	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1653
Annotation	Chokol F
Peak:m/z	Relative Intensity
57.03442	2.5
59.01093	1.0
59.01377	17.7
59.70990	0.4
62.47012	0.4
65.96705	0.4
69.03455	1.1
69.60761	2.5
69.61185	1.4
71.01385	7.8
72.01760	1.1
72.02164	13.9
73.02940	0.8
83.05016	3.7
85.02953	0.9
87.00900	0.5
87.04518	11.5
97.06587	1.8
98.03738	4.4
98.19884	1.0
99.04523	2.1
123.08189	1.0
137.09744	1.7
139.11302	2.9
151.11299	2.4
165.12955	1.3
167.14447	5.5
168.14751	0.8
177.12851	0.7
179.05606	1.6
191.74548	0.5
195.13908	4.6
197.15479	47.8
198.15817	5.2
201.12796	0.6
203.14415	1.5
211.17050	6.0
221.15469	5.6
239.16513	100.0
240.16833	11.6
251.04221	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1654
Annotation	Putaminoxin D
Peak:m/z	Relative Intensity
57.03445	6.1
59.01378	7.4
60.99304	1.1
65.39961	0.6
69.03455	2.0
69.80722	4.6
71.01392	10.0
71.05023	0.9
72.02171	20.4
73.02932	1.3
81.03465	1.6
83.05034	12.8
85.02963	2.0
87.00853	1.1
87.04523	23.1
95.05045	0.7
97.06599	4.5
98.03745	9.0
98.20553	1.4
99.04530	3.3
109.06593	1.0
111.08170	3.9
123.08172	2.4
137.09743	2.6
139.11290	1.9
139.35269	0.6
149.09740	3.1
151.11307	5.3
155.10838	0.7
161.04533	0.8
165.12869	14.5
165.14255	0.8
166.13176	1.9
167.14430	10.9
168.14780	0.8
177.12921	0.6
179.04247	0.6
179.05626	3.5
185.15471	1.2
195.13925	6.2
196.14142	0.7
197.15485	19.0
198.15814	2.0
201.12878	1.0
203.14468	1.4
209.15541	0.9
211.13403	2.7
211.17091	2.7
221.15480	6.7
224.44310	0.6
239.16525	100.0
240.16856	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	237.1495
Annotation	Canusesnol H
Peak:m/z	Relative Intensity
53.57677	1.2
57.03448	65.4
58.03793	1.4
59.01368	3.7
71.01377	5.4
72.02148	4.3
81.07096	2.6
83.05035	25.7
87.04520	100.0
88.04832	3.6
95.05032	3.4
97.06596	23.2
98.03740	4.9
113.06090	8.6
121.06618	2.1
135.08170	2.8
137.09732	28.6
138.10037	2.3
139.07695	2.5
149.09735	1.4
153.09232	16.4
154.09598	1.4
161.09737	1.3
163.11250	3.0
165.12814	7.7
179.10730	1.8
195.13904	10.4
204.23514	1.2
205.44870	1.2
219.13850	7.2
222.61986	1.2
237.14946	63.6
238.15291	9.4
242.74518	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	239.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.5
59.01378	100.0
60.01703	1.9
61.98830	5.0
69.66397	7.1
71.01390	4.9
73.02937	1.6
78.95908	8.7
83.01414	0.8
85.02956	3.3
87.00886	12.6
89.02441	3.0
97.02937	1.7
98.02484	13.7
99.00879	4.1
101.02429	2.1
105.12396	0.8
113.02454	1.4
117.01936	3.2
125.02434	1.8
136.94035	7.2
136.94920	1.4
137.94115	0.9
146.36107	0.8
161.04575	12.2
164.73613	0.8
178.95049	12.1
178.96202	4.7
179.05626	68.3
179.95053	2.1
180.05911	2.8
195.13818	1.7
196.97876	3.0
223.02824	5.5
239.12817	2.5
239.20081	1.0
240.03581	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	235.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07715	1.9
58.31509	2.0
59.01377	100.0
59.72170	2.2
60.01716	3.2
70.41235	8.2
71.01390	8.7
73.02966	15.5
74.02478	3.8
87.35368	2.1
89.02467	12.2
96.96028	3.1
96.96983	5.4
103.00386	21.0
103.04028	4.9
103.20645	2.0
115.00403	4.9
116.03529	3.4
121.38794	2.3
131.03526	25.4
149.04572	46.7
150.04887	3.0
188.86623	2.4
191.05646	2.4
210.20062	2.1
228.59807	2.6
235.51842	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	235.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	12.1
57.09156	1.5
59.01378	100.0
60.01709	1.1
61.98836	9.8
69.03455	1.6
71.01383	8.3
71.70750	2.6
73.02945	17.8
74.02478	4.5
85.02925	3.3
87.00915	1.6
88.04063	1.8
89.02454	13.0
95.05057	2.1
99.04527	6.6
101.02510	1.6
103.00381	18.3
103.04024	5.8
105.03798	9.0
109.06605	2.6
116.03562	1.9
120.01244	1.2
121.06588	2.3
131.03522	25.2
133.06676	2.1
135.08167	4.3
137.09758	7.6
146.04651	1.9
149.04568	44.8
149.09727	4.9
150.05025	1.5
163.11295	17.1
175.07687	1.5
177.09222	53.2
178.09543	4.9
191.05579	4.0
191.10788	16.7
192.11185	1.7
193.05406	2.6
193.12369	8.7
217.12312	5.2
228.81677	1.3
235.13377	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0302
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22220	1.6
55.01863	3.1
57.03442	18.8
59.01377	100.0
60.01728	1.7
60.99311	1.9
64.76438	1.6
67.01896	6.0
67.66361	1.8
68.99832	2.9
70.72395	6.6
70.72749	2.6
71.01384	62.2
72.99297	1.8
73.02943	16.3
83.01395	15.7
85.02958	23.1
87.00898	4.2
89.02454	3.2
93.03458	3.8
99.00887	35.2
99.04526	2.4
100.01200	2.6
101.02455	3.9
111.00896	27.0
115.00420	3.1
127.04079	1.7
129.01132	1.4
129.01950	41.4
139.52284	2.0
147.04886	3.5
158.08269	2.8
173.01010	9.0
173.04526	4.5
198.37787	1.7
232.62408	2.0
233.06670	2.7
233.10222	3.0
233.15486	12.2
234.09888	6.1
239.41258	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	231.0873
Annotation	Jioglutin C
Peak:m/z	Relative Intensity
57.03228	0.7
57.03448	7.5
59.01378	2.0
63.61091	0.7
69.03452	1.4
70.99802	1.4
71.01373	1.5
71.05016	1.6
72.99335	0.6
73.02940	1.6
73.04076	1.3
81.03465	0.9
83.05033	1.5
85.02961	1.1
87.00884	62.0
88.01207	2.0
94.12108	0.6
97.02978	0.8
97.06597	20.0
98.06950	1.4
99.04498	2.7
102.05656	0.8
107.08659	0.8
111.04514	0.9
115.05164	1.7
123.08175	5.6
125.06096	23.4
125.09727	1.2
126.06461	1.0
127.07688	3.4
130.08708	1.7
140.10721	0.7
141.09241	11.7
143.07144	12.1
145.02977	0.8
145.05106	0.9
151.07661	5.0
167.07010	0.7
169.08722	4.4
185.08214	2.5
187.09503	4.2
187.10976	2.6
189.07648	1.8
195.06569	1.8
213.07695	17.7
214.07976	1.5
231.08725	100.0
232.09096	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	227.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	0.5
61.96493	0.4
64.02874	0.5
71.16074	1.0
79.81289	0.6
90.46767	0.4
94.46835	0.5
100.80156	0.5
104.81699	0.4
107.62782	0.4
111.08163	0.9
165.12860	17.2
166.13190	1.4
181.12398	0.5
183.13921	100.0
184.14259	10.5
209.11835	1.3
227.12894	21.5
228.13266	2.6
246.93690	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.3
57.03447	10.6
59.01378	49.1
61.17094	1.2
69.03461	43.7
71.01385	23.9
71.70422	1.2
71.70814	2.2
72.99327	2.3
73.02954	71.2
74.03302	2.9
78.95914	9.4
85.02961	4.9
85.42784	1.2
87.00888	28.7
87.04524	5.7
89.02448	20.7
92.92807	1.8
96.96967	9.1
98.02502	1.5
101.02457	25.1
103.04028	24.2
104.68343	1.2
108.19684	1.2
114.05582	2.0
114.98051	7.2
115.00328	1.4
129.96762	4.1
131.03526	100.0
132.03857	5.0
133.49147	1.4
142.97569	1.9
149.04570	53.2
150.04889	2.1
152.95943	4.8
158.97031	2.7
171.00772	1.7
183.33238	1.3
184.98625	3.2
187.00154	12.4
205.01213	8.9
212.78195	1.4
223.02283	1.9
229.01135	5.2
229.04877	4.7
230.99081	8.3
249.00146	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	231.0874
Annotation	Jioglutin C
Peak:m/z	Relative Intensity
55.64212	0.5
57.03445	6.7
59.01376	0.9
59.98396	0.5
69.03455	1.3
71.05024	1.1
71.14944	0.9
71.15275	0.7
71.50788	0.6
73.74903	0.5
83.05019	1.5
85.02949	0.9
87.00883	64.0
88.01219	1.8
88.04026	1.0
97.06602	20.7
98.06911	0.9
99.04532	2.9
102.17951	0.6
107.08676	1.2
123.08210	4.5
125.06098	22.7
126.06441	1.3
141.09244	12.9
142.09583	1.2
143.07156	13.2
145.03023	0.6
151.07654	4.5
167.07199	0.9
169.08694	4.7
185.08218	1.9
187.09799	3.8
195.06645	2.5
213.07678	17.9
214.08032	2.7
231.08725	100.0
232.09052	10.0
234.90645	0.6
249.98178	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0926
Annotation	Decarestrictin E
Peak:m/z	Relative Intensity
57.03436	0.7
59.01365	0.6
63.58212	0.3
70.47836	0.3
71.01379	0.6
72.99309	100.0
73.38166	0.3
73.53382	0.3
73.99631	2.2
75.00878	3.0
76.42313	0.3
78.95889	0.5
79.95747	0.6
87.00880	0.6
95.05033	0.5
96.96023	1.4
97.02968	1.1
107.05044	0.4
108.05901	0.4
113.06063	0.5
122.03783	0.6
123.08205	0.5
125.06097	0.6
126.00211	0.4
137.02475	0.3
137.06108	0.5
138.06859	1.2
139.07658	3.0
146.65620	0.4
150.06886	0.5
151.07649	3.7
152.08449	4.1
153.09190	1.1
165.09216	4.5
183.13864	1.1
198.99113	0.4
209.08167	2.2
209.11897	0.4
210.08493	0.3
227.09241	53.1
227.20140	1.7
228.04822	0.5
228.09573	4.5
241.00189	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	4.3
55.21368	0.7
57.03448	18.5
59.01379	20.6
61.98820	1.9
68.99834	1.6
71.01382	13.8
71.39807	1.6
72.01690	0.6
72.99308	8.5
73.01167	0.7
73.02956	4.0
74.99085	1.0
75.00879	7.0
81.03471	1.9
83.01391	11.4
84.02174	3.2
85.02957	100.0
86.03299	3.0
87.00888	5.8
87.02744	0.8
89.00682	3.0
91.02238	12.2
92.98392	3.8
93.51283	0.7
96.96022	11.2
99.00898	3.9
101.02459	9.0
103.00394	1.9
103.04045	1.7
111.00897	39.5
112.01231	1.4
112.98820	2.6
113.02437	1.1
119.05038	17.2
120.05352	1.4
120.95835	0.6
120.99696	2.5
123.79950	0.6
125.02455	8.3
129.01958	32.4
130.02248	0.8
131.03397	0.7
133.05037	0.8
135.01245	18.1
135.04716	2.1
143.03528	2.1
144.06734	1.0
147.03006	8.6
160.04053	2.3
161.02612	0.6
161.04573	2.6
163.04059	5.5
173.00983	1.1
179.03796	0.8
180.06726	0.7
181.00046	1.3
181.05093	7.2
181.06644	1.0
181.19301	0.7
182.05531	0.9
185.64987	0.6
187.02498	3.1
188.16772	0.7
191.01971	5.7
204.09276	0.7
204.18346	0.7
205.03540	40.9
206.03885	2.8
222.76527	0.6
223.02815	3.8
223.04593	52.3
224.02397	1.8
224.04901	3.3
226.41914	0.7
231.19203	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1341
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
57.03437	1.8
59.01382	35.9
59.51351	0.5
60.01707	1.0
61.98836	5.4
65.43537	0.5
69.03464	6.6
70.59605	1.1
70.59977	1.0
71.01373	2.6
71.05013	1.7
73.02961	0.5
77.71126	0.5
83.05032	1.4
85.02952	1.8
85.06581	0.5
89.02458	0.5
93.03443	1.1
95.05032	1.2
96.96020	0.9
98.20514	0.6
99.62267	0.5
101.02455	1.2
108.05840	0.9
109.06618	1.3
111.08214	0.6
112.08508	0.5
113.02437	0.7
121.02931	0.6
123.08163	0.7
123.53968	0.5
125.09716	1.1
141.09311	0.9
149.02448	0.9
149.09705	1.2
151.04001	1.5
161.13406	1.2
163.06158	4.6
166.06377	2.9
167.10812	7.6
170.67712	0.6
172.22389	0.6
176.83736	0.9
177.12874	1.2
179.10823	2.8
179.14424	8.6
180.14769	0.9
187.11270	1.0
193.01494	1.6
195.13922	25.5
196.14241	2.4
205.12341	20.9
206.12718	2.9
208.03780	1.8
223.02808	4.2
223.13402	100.0
224.02832	0.9
224.13728	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	223.134
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
57.03444	7.4
59.01376	9.9
59.02166	0.3
60.09946	0.3
61.98841	0.4
71.19305	0.9
73.02937	0.4
81.03458	0.6
83.05029	43.3
84.05363	2.0
85.02957	0.4
85.06591	0.4
88.23502	0.3
95.05039	0.7
96.34518	0.4
96.95986	0.6
97.06599	31.1
98.06925	1.6
99.08187	0.5
101.02458	0.4
107.05044	0.9
109.06597	0.4
111.08163	0.8
121.06606	2.5
121.10214	0.5
123.08167	1.0
135.08157	0.8
137.09724	4.8
147.08163	3.7
153.37378	0.4
163.06113	1.2
163.11301	55.8
164.11638	5.3
177.12839	1.1
179.14420	30.0
180.14766	3.0
196.80473	0.4
205.12325	0.9
208.03737	1.6
223.13390	100.0
224.11517	0.8
224.13730	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1132
Annotation	12-hydroxyjasmonic acid
Peak:m/z	Relative Intensity
50.63021	1.0
59.01378	7.5
61.98822	4.5
65.00324	2.2
71.01395	1.1
71.73830	1.4
81.03452	1.2
83.05022	1.7
85.02934	1.3
87.00858	1.4
93.03435	5.0
96.96029	3.4
97.02966	8.0
97.93143	0.9
99.00901	3.4
108.02177	1.4
109.02966	1.6
109.06595	3.5
110.03709	2.7
121.02868	1.1
123.04500	1.2
125.09758	1.1
126.90526	1.4
135.08200	1.9
136.05290	1.7
137.02449	3.7
137.09744	1.4
138.01953	1.9
142.02744	6.1
153.01862	1.2
153.12903	2.4
163.00383	1.2
163.11314	12.5
164.11624	1.0
165.01968	4.6
175.33705	0.9
180.04272	2.2
181.08963	1.1
181.12357	33.2
182.12723	2.6
183.10266	1.8
191.05911	0.9
195.02907	2.5
195.06613	1.8
197.11819	2.6
207.10266	57.5
208.10576	7.0
210.05370	3.0
224.90524	1.6
225.00365	2.6
225.04033	2.4
225.07689	3.2
225.11313	100.0
225.14926	2.8
226.11664	14.3
240.31372	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.0356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	0.5
59.01373	1.3
61.98818	1.0
65.00357	0.5
66.03489	38.4
67.01878	0.6
67.03820	1.5
71.01386	18.0
71.05008	0.5
71.71711	0.8
74.99126	0.8
80.96507	0.6
82.06596	0.5
84.04536	0.5
85.02973	0.5
87.00881	0.6
92.98362	0.7
96.96004	2.5
101.87415	0.5
110.02491	100.0
110.96937	0.4
111.00927	0.7
111.02841	4.9
114.05633	4.6
115.00391	10.5
126.11821	0.5
133.01447	5.4
139.07668	1.2
165.12846	0.9
166.82426	0.5
167.08286	0.5
181.07228	0.7
183.11453	0.7
183.13943	2.0
199.62692	0.5
209.11726	0.6
226.03444	1.1
227.10384	1.1
227.14349	5.4
227.16460	0.9
227.20135	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	223.046
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.9
57.03452	16.0
58.00609	1.3
59.01090	1.5
59.01380	24.9
61.98822	1.0
65.80945	0.8
68.99818	2.1
70.90837	0.7
70.91453	0.7
71.01388	16.2
71.70637	0.9
72.99308	8.9
73.01177	1.7
73.02947	3.1
75.00868	7.0
81.03497	1.3
83.01394	9.7
84.02171	3.0
85.02959	100.0
86.03293	2.5
87.00883	5.8
87.02750	3.0
89.00681	3.9
89.02458	2.9
90.98599	1.5
91.02239	14.3
96.96020	11.6
99.00913	4.3
101.02457	7.6
103.00403	1.8
111.00893	22.3
112.98811	2.5
113.02420	1.0
115.00360	1.2
117.01915	0.9
117.03789	2.2
119.05016	1.1
120.99670	7.1
125.02478	6.7
129.01968	21.0
130.02313	0.9
131.03578	1.0
133.01439	1.9
135.01237	24.4
135.04895	7.4
136.05269	0.9
137.03575	1.5
143.03499	2.9
147.03021	6.6
149.04576	1.2
161.04533	1.1
163.06171	2.7
164.03543	1.6
164.04781	1.4
173.00887	1.6
187.02431	1.1
191.01988	13.0
205.03548	21.3
206.03836	1.7
208.03716	1.4
223.02742	6.7
223.04596	27.4
223.06361	2.5
224.02425	3.4
224.05083	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	223.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	4.9
57.03448	19.7
58.00587	0.6
59.01380	19.9
67.01885	0.9
68.99825	1.9
69.65601	2.7
71.01385	14.3
72.99311	5.9
73.02961	2.8
75.00880	6.4
78.05429	0.3
83.00895	0.6
83.01395	11.0
84.02167	3.3
85.02960	100.0
86.00097	0.4
86.03284	3.3
87.00890	4.5
87.01409	0.3
88.01685	0.8
89.02449	0.4
92.98396	13.0
96.96025	1.0
99.00885	0.8
101.02460	11.8
102.02783	0.4
103.00356	1.7
103.04027	1.5
111.00898	44.9
112.01224	1.7
113.02495	0.3
121.02964	0.4
125.02492	0.7
126.75037	0.3
129.01962	29.4
130.01413	0.3
130.02313	1.0
136.36064	0.3
143.03528	1.2
147.03014	6.7
148.03406	0.3
149.02457	1.4
151.80020	0.3
159.02974	0.6
161.04565	2.2
162.98944	0.9
163.06129	1.4
164.04839	0.7
173.00931	0.6
174.38451	0.4
179.05626	0.5
181.00008	2.2
187.02499	2.7
191.01965	1.6
193.01494	0.8
205.03545	45.9
206.03905	2.5
208.03780	1.2
223.04582	47.5
224.04918	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	221.082
Annotation	Monoisobutyl phthalate
Peak:m/z	Relative Intensity
59.01379	77.9
71.01388	3.7
71.05023	87.7
71.05858	3.5
72.05344	2.6
73.02946	7.1
75.02397	4.9
85.02911	1.8
91.10851	1.1
93.03470	5.7
96.95977	1.2
101.02477	2.3
107.05029	6.1
108.25459	1.3
119.01446	1.5
121.02967	60.2
122.03299	2.5
129.84528	1.2
131.03481	1.5
134.03758	100.0
135.04112	5.3
147.00896	15.6
149.09752	13.4
150.58612	1.3
151.04065	1.6
161.04605	7.3
165.01941	3.4
177.09219	17.7
178.09592	1.7
190.99857	5.2
193.08719	2.4
221.08200	63.2
222.08510	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	222.0807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.6
57.03440	1.5
57.61195	0.4
58.00601	0.5
59.01379	8.1
61.01163	1.0
71.01384	2.6
71.71085	0.8
72.99315	1.5
73.01179	2.0
73.02959	3.6
74.99111	0.5
75.00865	0.8
80.96525	0.5
83.01386	1.4
85.02957	9.4
86.02481	6.9
87.02741	3.6
87.04551	1.2
87.19814	0.4
89.00687	1.5
91.02255	1.6
92.98412	0.4
93.03509	0.4
99.00921	0.7
101.02442	1.2
101.09959	0.4
108.83305	0.4
111.00905	3.0
112.98840	1.0
113.02465	0.8
117.03820	4.2
118.04179	0.5
119.05019	0.7
120.99635	0.5
129.01949	2.1
133.03323	1.9
135.01357	2.1
135.04878	100.0
136.05215	4.2
143.03429	0.6
147.03062	1.1
156.21500	0.5
180.06648	1.0
192.06685	0.5
194.45226	0.4
205.03542	2.1
222.08028	11.0
222.91824	0.6
223.02695	0.7
223.04596	3.9
223.08269	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
58.47363	0.3
58.99599	1.1
59.01366	1.0
70.34389	0.2
71.01395	0.3
71.16972	0.7
71.17322	0.4
72.00936	0.3
74.02462	0.5
85.02961	0.3
86.02476	0.9
87.00892	0.4
88.04041	1.0
89.04386	0.4
92.05066	1.7
93.97314	1.1
96.96021	0.9
114.03825	0.5
116.05096	0.3
118.03146	0.3
118.98106	0.7
119.04971	0.3
120.04566	0.5
124.01589	0.2
128.05032	0.5
130.06636	2.0
131.03763	1.1
131.64998	0.2
132.04572	1.2
134.06117	0.9
141.04579	0.3
144.04538	1.5
146.04910	2.4
146.08342	0.3
147.08586	0.5
157.07727	100.0
158.06134	0.5
158.08076	8.6
173.07179	0.3
175.04062	0.5
175.07509	0.4
175.08784	3.2
176.09079	0.4
201.06705	3.7
202.06982	0.4
218.94582	0.7
219.03035	0.5
219.07767	15.3
219.17531	3.4
220.02823	1.0
220.08141	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	219.051
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98846	1.1
55.96152	0.9
57.03443	5.0
58.99605	9.4
59.01377	100.0
60.01705	2.1
63.96243	1.8
67.42674	1.1
68.05042	1.2
69.03442	2.1
70.22205	2.3
70.22605	2.2
70.99618	1.9
71.01386	7.8
71.05024	5.0
72.00931	1.1
72.99316	3.7
73.01183	1.1
73.02942	2.7
77.73631	1.0
78.17552	1.1
81.03462	3.9
83.01392	6.7
83.05024	2.2
85.02950	12.0
86.00702	1.3
86.02472	1.7
87.00887	11.8
87.02741	1.9
87.04521	4.2
88.04052	9.7
89.02427	2.1
89.04401	3.8
93.03486	3.1
96.96027	1.4
97.02953	8.9
99.00893	2.5
99.04530	4.9
100.74812	1.3
101.02457	3.1
103.00383	15.9
104.03561	1.2
111.00907	1.2
112.00459	1.6
114.03851	6.2
114.98621	2.9
115.00376	3.0
115.04032	7.7
118.98089	1.1
124.04057	1.1
125.02454	25.5
126.02811	1.3
127.00385	1.6
127.03988	1.7
128.03526	1.5
129.01942	4.7
133.05080	46.6
134.05402	3.0
143.03558	2.5
144.04510	1.1
146.08238	2.2
147.08562	4.7
148.04349	1.8
157.05086	3.0
157.07764	4.2
159.02986	6.1
159.04160	1.6
159.06627	2.1
176.03877	1.4
187.02469	7.4
201.04057	1.3
218.94586	1.8
219.03242	5.2
219.05124	10.1
219.08696	2.3
219.10693	4.3
219.17520	4.8
220.02798	11.2
230.21187	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.051
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98846	1.1
55.96152	0.9
57.03443	5.0
58.99605	9.4
59.01377	100.0
60.01705	2.1
63.96243	1.8
67.42674	1.1
68.05042	1.2
69.03442	2.1
70.22205	2.3
70.22605	2.2
70.99618	1.9
71.01386	7.8
71.05024	5.0
72.00931	1.1
72.99316	3.7
73.01183	1.1
73.02942	2.7
77.73631	1.0
78.17552	1.1
81.03462	3.9
83.01392	6.7
83.05024	2.2
85.02950	12.0
86.00702	1.3
86.02472	1.7
87.00887	11.8
87.02741	1.9
87.04521	4.2
88.04052	9.7
89.02427	2.1
89.04401	3.8
93.03486	3.1
96.96027	1.4
97.02953	8.9
99.00893	2.5
99.04530	4.9
100.74812	1.3
101.02457	3.1
103.00383	15.9
104.03561	1.2
111.00907	1.2
112.00459	1.6
114.03851	6.2
114.98621	2.9
115.00376	3.0
115.04032	7.7
118.98089	1.1
124.04057	1.1
125.02454	25.5
126.02811	1.3
127.00385	1.6
127.03988	1.7
128.03526	1.5
129.01942	4.7
133.05080	46.6
134.05402	3.0
143.03558	2.5
144.04510	1.1
146.08238	2.2
147.08562	4.7
148.04349	1.8
157.05086	3.0
157.07764	4.2
159.02986	6.1
159.04160	1.6
159.06627	2.1
176.03877	1.4
187.02469	7.4
201.04057	1.3
218.94586	1.8
219.03242	5.2
219.05124	10.1
219.08696	2.3
219.10693	4.3
219.17520	4.8
220.02798	11.2
230.21187	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.14
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.1
58.02958	1.0
59.01385	2.4
63.43943	0.4
67.05512	0.4
69.43568	2.7
69.43996	1.5
71.01380	1.1
71.43805	0.4
72.00919	3.4
74.02473	7.8
82.02988	6.9
84.04552	14.2
85.02962	0.7
86.02480	8.4
90.42145	0.5
90.97722	0.4
92.05074	3.7
93.03479	0.5
96.96014	0.8
98.20614	0.9
99.04573	0.6
101.04331	1.4
101.40552	0.5
103.22942	0.4
111.04541	1.5
116.03584	0.6
116.05077	3.5
124.43385	0.4
125.09743	1.0
127.07684	0.5
128.03554	12.2
128.10841	4.1
129.03909	0.6
130.08762	10.2
140.10811	1.3
141.10368	5.7
142.06650	1.7
142.12402	1.2
144.00914	2.9
153.09236	1.2
154.12411	1.0
167.11919	2.9
168.09033	0.8
168.10327	0.6
169.07712	0.6
169.13483	5.0
171.09082	2.4
171.10304	2.4
171.15042	8.2
172.09760	4.1
172.15544	0.6
173.08200	0.8
195.11372	1.2
197.12962	52.8
198.13281	5.3
215.01007	21.0
215.03342	0.9
215.07468	1.6
215.09300	2.6
215.14009	100.0
216.01329	2.2
216.14339	8.7
223.59109	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1401
Annotation	L-Valyl-L-valine
Peak:m/z	Relative Intensity
57.03437	0.7
58.02980	2.6
59.01362	1.5
61.88107	0.5
62.53668	0.4
62.99905	0.5
65.62433	0.5
71.01374	0.4
71.18164	0.6
71.18480	0.6
72.00901	2.2
74.02473	7.9
82.02992	7.9
82.06623	1.4
84.04053	0.9
84.04551	18.9
85.02978	0.6
85.04893	0.5
86.02483	3.3
98.02464	1.0
101.07248	1.1
114.09241	0.8
116.03560	1.6
125.09740	0.9
127.05143	1.4
128.03557	12.2
128.10817	4.0
129.03886	1.2
130.08763	7.4
140.05052	0.5
140.10783	0.8
141.10349	5.8
141.11331	0.9
142.12386	1.0
144.00955	1.2
154.12335	0.9
167.11909	4.7
168.09050	0.8
168.10359	0.5
169.09908	0.8
169.13490	7.0
170.13858	0.5
171.01976	0.5
171.10245	1.4
171.15051	8.2
172.09839	1.7
172.15370	1.1
173.08116	0.9
194.04465	0.5
195.11453	2.2
197.12959	67.3
198.13271	5.9
215.00986	12.1
215.09770	2.3
215.14008	100.0
216.01358	1.5
216.14323	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	218.1034
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
51.99075	0.4
59.01373	2.6
60.60770	0.3
61.47290	0.4
70.90720	1.4
71.00999	0.7
71.01383	10.7
71.05023	17.1
72.00916	0.5
72.01709	0.4
77.64125	0.4
88.04044	100.0
89.03870	0.5
89.04374	2.3
92.98276	0.4
93.45018	0.4
96.41352	0.4
96.95995	0.5
99.04523	4.2
101.52278	0.4
111.04240	0.4
116.03550	0.7
116.07169	2.4
129.05603	0.9
135.92316	0.4
145.15428	0.4
146.08249	44.8
147.08609	2.2
192.06728	0.4
218.10330	30.2
219.10703	3.0
219.17505	1.6
230.25539	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.8
61.98828	3.5
66.03465	0.7
70.81346	0.5
70.88264	0.5
70.88622	1.3
71.01392	0.5
81.03487	0.6
83.05022	0.6
85.02985	0.7
87.00931	0.5
96.87549	0.6
96.96039	1.0
97.02953	0.8
120.89908	1.5
123.00874	0.6
124.51843	0.5
125.02540	0.5
133.23222	0.6
142.08061	0.6
169.12358	1.4
172.52881	0.5
183.13910	23.8
184.14270	1.9
184.90266	1.0
194.99409	1.2
195.13901	20.3
196.14241	2.1
211.13423	0.5
213.14967	100.0
214.15312	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	213.1498
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
50.62602	0.3
57.44899	0.3
58.87439	0.3
58.87733	0.3
59.01386	0.7
61.98827	1.9
64.93169	0.3
65.84789	0.3
69.96473	1.1
69.96884	0.6
73.02961	0.4
97.02972	0.3
120.89902	0.9
123.92006	0.3
124.02304	0.3
124.24039	0.3
128.83476	0.3
151.11270	0.4
167.14404	1.4
177.12843	0.6
183.13913	4.2
184.14255	0.5
194.99326	0.9
195.13924	13.1
196.14249	1.2
211.13429	1.2
213.01761	0.5
213.14969	100.0
214.15311	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	215.0924
Annotation	Isoketocamphoric acid
Peak:m/z	Relative Intensity
50.36115	0.8
52.69611	1.0
57.03447	27.1
59.01380	78.1
59.07705	0.8
60.01707	0.9
65.70055	0.8
66.02848	0.9
69.03455	3.0
69.19377	0.9
71.05039	1.1
71.72134	1.1
73.02954	4.7
76.23094	0.8
76.82583	0.8
83.05019	1.2
85.02947	4.0
87.00882	14.8
96.96014	1.0
98.03744	1.1
98.15331	0.9
99.00900	1.1
99.04545	1.0
109.06587	1.1
111.08182	9.9
125.09741	33.1
126.10069	2.2
127.07681	7.9
135.08176	1.9
144.00949	5.3
153.08055	1.4
153.09232	20.9
154.09610	1.2
155.07159	4.0
169.08667	1.7
171.02013	1.7
171.10289	92.2
172.00429	1.1
172.10626	8.0
197.08096	4.6
198.26714	0.9
215.00999	44.0
215.09244	100.0
215.12646	2.5
216.01331	4.8
216.09581	7.7
236.56410	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0925
Annotation	Isoketocamphoric acid
Peak:m/z	Relative Intensity
57.03447	39.6
58.02980	1.0
59.01374	4.9
69.03452	4.8
71.05026	1.8
71.73258	1.4
73.02956	4.5
75.49923	0.8
83.05032	1.2
85.02970	5.4
85.32462	0.9
87.00883	18.1
98.03744	2.3
99.04570	1.1
109.28683	0.9
111.08173	5.5
125.08811	2.1
125.09738	43.1
126.10085	2.5
127.07650	9.4
127.11349	1.0
135.08199	1.7
144.00951	4.1
153.09227	17.9
154.09579	1.3
169.08823	2.4
171.01797	0.9
171.10286	100.0
172.10611	8.0
173.07156	2.3
197.08307	2.9
215.01016	26.4
215.09262	95.1
215.12772	3.4
216.01305	3.1
216.09570	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	213.1134
Annotation	1-Methyl-3-(1-methylethyl)-1,2-cyclopentanedicarboxylic acid
Peak:m/z	Relative Intensity
59.01389	8.6
61.98835	33.0
66.03497	2.4
69.03477	10.9
71.05026	100.0
71.73117	3.2
72.05350	3.0
83.05033	2.6
87.04536	3.6
97.02977	12.2
97.06607	8.3
99.08198	3.9
100.26250	2.3
105.29076	2.4
115.04035	25.1
115.07686	18.9
120.89919	8.5
121.89761	4.0
123.05681	2.3
123.08205	3.8
125.09758	8.1
127.11310	51.8
137.89247	2.5
141.09238	7.2
141.12895	3.3
151.11345	10.9
169.12366	98.8
170.12683	6.6
177.90305	3.4
183.13927	3.3
184.90303	7.6
185.90125	4.5
194.99367	5.2
197.99225	3.6
213.05537	3.8
213.07545	3.2
213.09355	2.1
213.11339	35.1
213.14990	36.3
213.18631	9.4
213.88420	3.4
214.01526	2.3
214.15292	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	213.1496
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
57.03444	14.0
58.03778	0.4
59.01372	0.8
67.97990	0.4
69.03452	0.8
70.02005	1.6
71.05027	0.7
84.02155	2.2
85.06583	2.1
95.05042	5.4
96.96017	1.6
96.96995	0.4
97.02950	1.5
98.03751	5.1
101.06126	0.4
107.05023	0.7
109.06605	1.3
111.08155	0.4
112.05301	0.7
113.06099	6.3
114.05640	1.7
121.06625	0.7
122.03741	0.4
123.08154	1.0
124.05317	8.2
125.03587	0.7
125.06059	1.1
127.07662	4.3
128.07178	1.2
129.05608	2.3
137.06032	0.9
137.09737	12.2
138.06876	7.8
138.10068	0.8
139.07669	29.6
140.08095	1.7
151.07668	1.0
153.09232	27.4
154.09554	2.1
155.10793	100.0
156.11125	7.2
165.12846	0.6
169.05061	0.5
169.09923	0.6
177.12814	0.7
182.12433	0.4
195.13927	4.3
196.14153	0.5
199.09721	1.1
203.73346	0.4
211.13431	1.0
213.14961	81.1
214.07117	0.4
214.15309	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	213.1497
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
50.31859	0.4
56.10416	0.4
57.03447	14.0
64.15397	0.4
69.03453	0.5
69.81844	3.1
71.05016	0.5
73.02960	0.5
79.95727	0.6
84.02173	2.7
85.06599	2.4
87.00891	1.2
95.05038	5.7
96.96026	2.0
97.02957	1.1
97.06607	0.5
98.03740	5.1
98.20161	1.6
98.20753	0.5
98.95592	0.5
99.08181	0.7
107.05056	0.7
109.06638	1.0
111.08203	0.9
112.05316	1.0
113.06101	6.3
121.06606	1.3
122.03738	0.8
123.08174	1.2
124.05318	8.6
125.06106	1.6
127.07688	3.8
129.05583	2.7
135.08191	0.5
136.05374	0.6
137.06065	1.5
137.09727	12.7
138.06886	7.8
138.10030	1.3
139.07672	30.8
140.08037	1.8
151.07661	1.3
153.09232	26.8
154.09549	2.0
155.10794	100.0
156.11116	7.8
162.33815	0.5
165.12839	0.8
177.12894	0.6
195.14018	3.9
196.14244	0.4
199.09799	1.1
211.13354	0.5
213.14970	80.2
214.13361	0.8
214.15302	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	213.1133
Annotation	1-Methyl-3-(1-methylethyl)-1,2-cyclopentanedicarboxylic acid
Peak:m/z	Relative Intensity
55.01880	2.8
55.76856	1.8
57.03453	2.8
59.01378	12.4
59.58223	1.9
60.16148	1.7
61.98824	6.4
66.03506	2.1
66.25063	1.9
69.03456	16.8
69.40825	16.4
69.41251	4.9
71.01388	7.9
71.04677	3.2
71.05032	31.6
73.02943	2.8
82.07289	1.9
95.05042	3.1
97.02968	2.7
97.06584	11.0
98.03748	27.8
99.04548	7.1
112.00713	1.9
113.09732	26.1
115.07678	30.5
120.89848	2.1
125.09750	12.9
127.11306	29.5
151.11307	100.0
152.11696	9.4
152.12740	2.0
154.09979	2.4
168.98894	1.9
169.08638	2.2
169.12349	35.5
171.10245	4.9
184.90189	2.2
185.91978	2.5
194.99358	4.0
195.10294	2.9
201.26279	2.0
213.05699	3.1
213.07904	4.6
213.11320	86.1
213.14833	20.9
213.18582	8.6
214.11714	9.4
214.15117	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	211.1705
Annotation	trans-Delta2-11-methyl-Dodecenoic Acid
Peak:m/z	Relative Intensity
51.31211	0.2
52.25441	0.2
57.03448	13.1
59.01384	0.6
60.23222	0.2
64.77608	0.2
65.00318	0.4
69.03458	11.7
70.03794	0.4
71.01401	0.3
71.05017	0.9
71.72680	0.3
79.14309	0.2
83.05037	1.3
85.02967	0.4
95.01373	0.5
96.96030	0.4
97.06554	0.3
105.43807	0.2
107.05114	0.2
109.06590	0.5
111.00868	0.3
111.08233	0.3
123.00839	0.3
123.04610	0.3
123.08174	5.1
123.08940	0.2
124.04031	0.3
124.08516	0.4
125.04423	0.4
125.09724	0.5
136.98788	0.5
137.09750	1.5
139.00439	0.3
139.11307	14.1
140.11626	1.0
141.12846	1.2
148.01637	0.4
149.09723	0.4
149.36131	0.3
151.06154	0.8
153.05652	0.2
163.04012	0.3
164.98283	1.9
165.12846	0.6
167.14413	0.3
177.12790	0.3
181.05060	0.4
182.99380	0.3
185.11861	0.3
193.12352	0.9
193.15935	2.7
194.16347	0.4
195.13943	2.5
198.94801	0.3
209.15468	5.8
210.15816	0.7
211.13580	2.9
211.17043	100.0
212.17395	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1341
Annotation	Putaminoxin
Peak:m/z	Relative Intensity
54.45162	0.4
55.01868	0.5
55.88254	0.4
57.03450	4.0
63.91447	0.4
64.84619	0.4
69.80362	2.4
69.80787	1.1
71.05033	0.7
73.02950	0.7
75.46607	0.4
78.84838	0.4
78.87831	0.4
83.05034	0.9
87.04510	2.6
95.05040	0.8
97.02953	1.3
97.06622	2.5
99.04525	0.5
99.08134	0.8
105.07148	0.5
107.05032	0.9
109.06617	2.3
111.08165	1.7
113.09759	0.6
119.08688	0.9
121.06603	3.3
123.08179	26.1
124.08500	1.9
126.06893	1.3
133.06612	0.6
135.08167	1.4
136.05316	0.6
137.09740	71.7
138.06888	13.1
138.10066	5.5
145.57187	0.5
149.06108	0.7
149.09808	0.8
150.06914	4.2
152.08369	0.6
153.09236	27.9
154.09592	1.8
163.10036	0.8
163.11310	10.2
164.08435	1.2
164.11661	1.1
165.09204	1.3
165.12836	3.7
175.11325	5.1
176.11555	0.5
178.10019	3.6
183.13951	3.0
184.14278	0.4
193.12346	100.0
194.12685	11.5
211.13399	32.3
212.13712	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	211.134
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
50.58675	0.3
52.82509	0.3
59.01369	1.1
59.20394	0.2
61.98526	0.4
61.98830	6.0
65.98438	0.3
69.03446	0.8
69.86199	1.9
71.01353	0.4
83.05048	0.6
95.01380	1.0
121.92300	0.6
124.04020	0.5
137.02498	0.3
139.00406	0.3
151.06110	0.7
151.91586	0.3
164.98264	0.4
165.12846	0.8
167.10750	0.9
167.14442	1.1
167.99223	0.4
183.13908	12.5
183.92340	0.3
184.14270	1.2
193.12326	3.2
196.03752	0.5
210.94818	0.4
211.13391	100.0
211.94560	0.4
212.13742	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	211.134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.9
61.98827	4.0
63.93944	0.2
69.03458	0.7
70.30035	1.2
71.01377	0.3
72.50434	0.2
83.05035	0.4
85.02965	0.3
89.64515	0.3
95.01409	0.6
97.02971	0.3
121.92317	0.4
123.00894	0.6
124.04060	0.4
125.04380	0.4
136.98935	0.3
137.09721	0.3
139.00369	0.3
151.06169	0.5
162.18764	0.3
164.98257	0.5
165.12891	0.5
167.10797	0.9
167.14447	1.4
181.12457	0.4
183.13913	11.9
183.92412	0.4
184.14244	1.4
188.30891	0.3
193.12347	3.7
196.03815	0.5
210.94955	0.3
210.98895	0.3
211.13396	100.0
211.94666	0.5
212.13739	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	209.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.3
57.03446	48.1
58.03780	1.3
58.04074	0.3
59.01378	4.1
69.03456	2.3
71.01392	3.1
71.05021	4.5
71.72927	0.4
72.99310	0.7
73.02958	0.4
75.00884	0.8
82.43109	0.4
83.05027	6.2
85.02441	0.7
85.02959	12.3
85.03455	0.8
85.06605	0.9
86.03284	0.5
87.00899	0.6
89.02446	1.4
91.59277	0.3
93.03405	0.5
94.02997	1.0
96.96031	0.9
97.06593	3.0
99.08180	1.0
104.27863	0.4
109.06602	6.2
111.00940	0.6
111.04527	0.9
115.00418	0.5
118.70293	0.3
120.99684	3.6
121.02971	15.8
121.06648	1.1
122.03304	0.7
123.08174	14.7
124.04060	4.0
124.08527	1.0
125.09705	0.7
129.01939	1.2
133.01465	1.1
135.08177	1.0
137.09738	10.2
138.10092	0.8
139.11307	4.6
147.03029	0.6
149.09734	6.1
150.10025	0.5
151.04027	0.4
161.02493	0.5
165.05563	0.6
165.12863	9.5
166.13228	0.9
174.19534	0.4
179.03523	1.8
191.02008	4.2
191.14403	3.5
193.12386	1.5
194.05872	1.7
209.01173	0.7
209.02991	4.1
209.04790	2.4
209.11978	3.0
209.15466	100.0
210.15829	10.7
227.12880	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0304
Annotation	D-Glucarate
Peak:m/z	Relative Intensity
55.01888	1.9
57.03450	13.0
58.00587	0.4
58.03792	0.5
59.01381	13.4
68.99818	1.6
69.91313	1.4
71.01388	24.6
72.01724	0.7
72.98924	0.5
72.99314	6.4
73.02963	0.9
75.00880	5.2
83.01398	2.6
84.02169	3.0
85.02962	100.0
86.03298	3.7
87.00887	3.2
89.02457	7.8
94.02982	0.4
96.96017	0.6
98.20588	0.5
99.00903	0.7
101.02466	1.3
103.00394	2.3
111.00901	4.8
114.03868	0.3
115.00405	2.0
120.99706	1.6
121.02141	0.4
121.02976	7.4
122.03291	0.4
124.04070	0.4
127.36159	0.2
129.01962	8.5
130.02290	0.4
133.01453	10.7
134.36862	0.2
145.01447	0.4
146.44800	0.2
147.03027	4.2
173.00906	2.3
176.07187	0.5
179.05684	0.2
191.01990	28.8
191.10648	0.3
192.02383	1.7
194.02151	0.3
194.05872	0.3
209.03029	32.5
209.04541	1.4
209.11850	0.5
209.15425	0.4
210.03348	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	209.1184
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
57.03445	1.7
59.01378	100.0
60.01716	1.7
61.98837	1.0
70.88673	0.4
70.89027	0.4
71.01391	1.1
72.99297	0.3
81.03475	0.4
84.02222	0.4
85.02956	3.7
86.03323	0.2
87.00906	0.3
89.02451	0.3
94.02987	0.9
96.96002	0.3
97.06580	1.4
98.13210	0.2
109.06601	1.6
121.02966	7.0
122.03368	0.6
123.10879	0.3
124.04057	2.4
129.01932	0.3
133.01500	0.3
147.03020	0.2
149.09680	0.2
156.26491	0.2
163.05310	0.2
165.12865	2.5
168.47414	0.2
172.17949	0.2
179.03592	0.3
191.01971	1.0
194.05882	0.4
209.01183	0.3
209.02948	0.9
209.04724	1.4
209.11826	16.9
209.29637	0.2
209.95042	0.3
210.12169	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0303
Annotation	D-Glucarate
Peak:m/z	Relative Intensity
50.19904	0.2
55.01887	2.0
57.03447	11.4
57.19096	0.2
58.00581	0.6
59.01379	13.4
60.01721	0.4
65.24751	0.2
66.65378	0.2
68.99813	1.2
70.47847	0.3
70.48188	1.0
71.01386	25.1
72.01719	0.7
72.99308	5.4
73.02964	0.7
75.00880	4.7
83.01396	2.2
84.02171	2.8
85.02959	100.0
86.03292	3.4
87.00883	3.0
89.02451	9.1
96.70500	0.3
98.19966	0.4
101.02465	1.0
103.00379	2.6
111.00904	4.5
115.00391	1.8
124.04098	0.4
129.01956	7.1
133.01448	10.8
134.01828	0.3
135.59261	0.3
145.01378	0.4
147.03015	4.3
170.92694	0.3
173.00922	1.8
191.01991	26.1
192.02293	1.8
209.03033	35.3
210.03358	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	206.9745
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.1
59.01377	2.5
61.98831	100.0
62.98527	0.3
62.99264	0.1
63.99256	0.1
68.01428	0.1
70.76720	0.3
71.01387	0.2
75.00864	0.2
85.02961	0.1
92.85847	0.1
99.00895	0.2
119.18411	0.1
129.02002	0.5
147.02980	0.6
147.04616	0.1
149.02397	0.1
162.98508	1.1
164.96417	0.7
165.05579	0.2
177.01936	0.8
192.04306	1.1
193.04755	0.1
206.97461	9.9
207.06636	0.4
207.97548	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.2
57.03447	4.5
59.01378	100.0
60.01722	1.7
61.98550	1.5
61.98825	9.9
67.01901	1.7
68.99828	1.3
71.01387	12.3
71.41214	2.7
72.99316	1.4
73.02959	1.9
75.00874	9.4
83.01385	2.2
85.02968	5.4
87.00875	1.9
88.52501	1.1
89.02470	2.8
89.92579	8.9
91.94154	1.6
99.00893	4.6
99.92582	6.8
101.02473	5.7
103.92043	2.1
109.02945	1.2
117.01965	2.2
117.92066	2.5
119.05045	1.8
119.92385	3.2
121.03000	2.5
122.02505	3.5
122.89449	2.4
123.04536	3.6
123.91132	1.6
129.01964	24.5
130.02299	2.1
130.94417	2.6
132.03511	1.2
133.03052	1.1
135.03125	1.5
137.93492	1.4
143.95294	1.2
147.01862	1.4
147.03008	27.0
147.04515	6.8
147.94743	1.3
149.02472	6.0
160.88704	1.2
161.04657	1.9
162.92615	1.3
163.00308	2.0
163.04015	2.1
163.06306	1.4
163.07652	2.8
163.11339	1.8
163.91379	1.5
164.89561	4.2
165.05560	4.7
165.95750	3.8
177.01949	38.5
178.02304	2.5
179.07118	1.7
188.90105	1.8
189.95863	1.7
191.03435	1.9
192.00667	4.7
192.04288	41.7
193.04646	3.1
206.82507	5.7
207.02980	4.1
207.06648	17.6
207.10313	3.8
207.96791	2.0
208.06679	1.5
208.09868	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	209.0303
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94429	0.2
55.01883	2.1
56.53025	0.2
57.03446	15.3
58.00587	0.9
58.03771	0.3
59.01377	15.7
60.01714	0.4
68.99811	2.0
69.09348	0.3
71.01383	24.3
71.70907	0.3
71.71286	0.4
72.01723	0.6
72.99311	5.4
72.99695	0.5
73.02940	1.2
74.99100	0.4
75.00879	4.7
81.96748	0.3
83.01393	2.8
84.01727	0.3
84.02177	3.3
85.02955	100.0
86.03289	3.6
87.00880	6.8
89.02451	9.4
90.02743	0.3
91.36810	0.3
96.96031	2.2
97.02978	0.4
99.00901	1.5
101.02459	1.7
103.00389	2.1
111.00890	4.7
112.98833	1.6
115.00375	1.8
120.99666	0.7
129.01958	12.9
130.02299	0.6
133.01439	10.3
134.01758	0.4
136.99106	0.4
141.01956	0.6
142.99872	4.4
144.00185	0.3
147.03017	3.3
159.02997	1.6
172.03694	0.3
173.00922	2.3
191.01997	20.6
192.02344	1.1
209.03050	29.2
209.06621	14.7
210.00648	0.3
210.03398	1.4
210.07085	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0302
Annotation	D-Glucarate
Peak:m/z	Relative Intensity
50.27872	0.3
55.01883	1.7
57.03447	11.3
58.00589	0.7
58.03785	0.3
59.01377	13.7
68.99809	1.5
69.89635	1.3
71.01384	24.1
72.01735	0.3
72.99310	5.9
73.02953	1.0
74.99073	0.4
75.00872	4.0
83.01398	2.4
84.02176	3.3
85.02956	100.0
86.03297	3.3
87.00883	3.5
87.90642	0.2
89.02449	7.7
90.02768	0.3
94.17616	0.2
96.96010	0.5
99.00895	0.5
101.02441	1.1
102.86074	0.3
103.00383	2.2
111.00896	4.1
115.00382	1.9
120.99654	0.3
129.01959	7.7
130.02295	0.3
133.01445	9.8
133.02443	0.5
134.01753	0.3
145.01418	0.4
147.03006	4.4
173.00972	1.6
191.01985	26.9
192.02289	1.6
194.55740	0.3
209.03029	35.1
209.06628	2.0
209.15440	0.3
210.03362	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	206.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02975	52.7
59.01380	6.8
59.02711	0.6
59.03310	1.1
69.71474	2.1
69.71896	2.5
70.02985	12.3
70.68868	0.5
72.00916	4.1
73.45014	0.6
91.05540	10.1
98.19933	1.3
98.88022	0.5
101.70865	0.5
129.01967	1.5
135.04506	2.0
147.04538	34.2
148.04860	2.3
162.09251	1.2
164.07181	100.0
165.07535	8.0
177.01903	1.5
181.65416	0.5
192.04294	1.9
206.08232	46.2
207.06786	1.1
207.08568	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	206.0824
Annotation	N-Acetyl-L-phenylalanine
Peak:m/z	Relative Intensity
58.02976	36.9
59.01374	2.4
69.47015	5.9
70.02982	13.6
72.00908	4.9
91.05551	12.5
135.04517	2.0
147.04541	35.8
147.05479	0.7
148.04863	2.6
159.74326	0.6
162.09270	1.3
164.07182	100.0
165.07539	6.8
177.01929	1.0
192.04279	2.2
206.08231	51.4
207.08556	5.4
229.75105	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0354
Annotation	(2S,3R)-3-Hydroxybutane-1,2,3-tricarboxylate
Peak:m/z	Relative Intensity
52.99758	1.5
55.01875	5.6
57.03436	7.0
58.00591	1.8
58.02971	2.3
59.01378	77.0
67.01888	6.6
68.99811	6.4
70.84816	3.3
70.85171	3.9
71.01388	51.7
71.05029	7.0
72.99313	32.1
73.02953	17.7
75.00871	24.8
79.95746	2.0
81.03443	4.7
83.01394	7.8
84.99326	1.7
85.02957	15.4
87.00884	56.5
89.02436	3.4
96.96027	8.2
96.99326	3.4
99.00896	34.1
99.04523	6.4
101.02459	16.1
103.00384	4.5
111.00898	100.0
112.01239	5.5
112.98833	12.7
115.00391	55.9
115.04005	6.7
117.00190	2.1
117.01958	11.3
118.03351	2.4
124.98810	9.3
125.02463	52.0
126.02810	3.4
127.00410	5.3
127.03956	1.6
129.01991	10.1
142.99866	14.6
143.03499	12.2
143.07144	7.4
145.01422	13.4
145.05098	7.1
154.99883	13.4
168.00769	1.6
169.01526	2.0
173.00938	6.7
175.02516	7.4
187.02518	3.4
187.06139	6.6
205.00946	3.4
205.03558	24.9
205.07121	8.0
205.08932	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	205.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	6.4
57.03442	7.6
58.00597	5.1
59.01096	4.8
59.01378	73.9
60.99268	3.7
68.99815	8.8
70.47781	9.1
71.01386	77.4
72.01733	3.1
72.99316	35.8
73.02944	10.0
75.00879	35.5
78.56232	2.7
80.91689	3.9
83.01382	18.0
85.02959	11.9
85.89568	2.5
87.00890	40.7
89.02447	10.4
96.96021	4.1
96.99303	4.5
97.22309	2.6
99.00893	47.5
101.02454	7.2
103.00386	11.2
111.00892	25.4
112.98817	53.7
115.00385	100.0
116.00719	4.0
117.01958	11.0
121.86972	2.8
124.98790	10.9
125.02443	5.5
127.00373	9.6
129.01933	15.8
133.01379	4.0
142.99895	21.3
145.01448	24.5
154.99858	15.6
173.00890	10.2
175.02467	8.0
205.00963	3.1
205.03506	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	205.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82776	0.8
54.42146	0.7
55.01862	1.6
57.03449	18.8
59.01138	0.9
59.01379	11.3
62.83175	0.7
69.03445	2.7
70.74601	0.8
70.74940	2.8
71.01385	9.7
72.99331	5.3
73.02949	2.3
75.00877	3.4
83.05030	1.1
85.06610	4.1
87.00906	3.8
93.03474	2.6
95.05055	1.1
96.96023	4.3
96.99317	1.0
99.00874	4.2
101.02427	0.8
105.84471	0.9
106.04252	0.8
107.05043	34.0
108.05352	1.7
109.02927	1.5
109.06570	1.1
111.00876	2.6
114.99679	0.9
115.00400	10.7
117.01981	1.3
119.05032	3.7
120.05879	1.3
121.06590	2.2
123.04525	1.8
123.08146	1.8
129.01955	1.7
133.06592	1.1
135.08206	6.3
136.05367	1.1
137.06129	1.6
139.04176	1.0
142.99876	2.3
145.01424	2.4
145.10313	1.2
146.38139	0.9
147.08133	3.2
148.08914	1.2
149.06105	22.0
149.09663	1.5
150.06447	2.2
154.99849	1.7
159.06509	1.1
161.06114	1.1
161.09669	1.8
162.06920	2.1
163.11305	38.3
164.11612	3.1
175.02422	1.1
175.07600	1.8
177.12857	5.7
185.03505	0.8
187.11282	11.9
188.11551	2.3
189.09129	1.0
190.09999	7.0
205.05014	2.3
205.07002	2.2
205.12326	100.0
205.15941	6.0
206.12680	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	203.0827
Annotation	Tryptophan
Peak:m/z	Relative Intensity
59.01375	3.1
64.00793	0.6
70.12121	2.1
70.12517	1.1
72.00914	26.9
74.02476	36.3
75.02800	1.0
96.01516	0.6
98.19963	0.8
109.16000	0.9
116.05077	100.0
117.04681	0.8
117.05416	7.8
130.06656	3.7
142.06639	29.2
143.06989	2.7
157.07697	1.0
159.09297	22.1
160.09630	2.1
161.04935	0.7
186.05608	4.7
203.08269	81.8
204.08612	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	203.9999
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	6.1
60.01712	2.4
61.01807	0.8
61.98828	100.0
62.98524	0.3
62.99252	0.1
66.58993	0.1
71.01388	0.7
71.70683	0.1
72.99316	0.3
75.00885	0.2
82.89717	0.1
86.77876	0.1
87.00896	0.4
99.00883	0.4
102.92345	0.1
115.00373	0.7
145.01422	0.1
145.06505	0.1
146.85265	0.1
152.93332	0.1
154.99828	0.1
160.03700	0.1
162.01758	0.2
170.64067	0.1
203.99998	1.2
204.02663	1.1
205.00104	0.1
205.02902	0.2
205.05109	0.1
205.16035	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0197
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45595	0.7
55.01864	1.1
57.03452	4.0
58.99602	6.9
59.01097	1.2
59.01377	18.9
60.99316	2.1
63.66236	0.7
67.01899	1.1
69.03457	61.0
69.88272	4.6
70.03816	1.3
70.06619	5.0
71.01384	46.9
71.05004	1.0
72.01730	1.3
72.99312	8.0
73.02927	1.4
74.02502	1.2
75.00879	4.9
78.91882	4.9
79.01895	5.6
79.95753	1.2
82.06622	2.2
83.01389	2.5
84.04548	0.9
85.02953	11.6
85.06572	0.8
87.00885	11.5
87.04526	1.0
87.05659	1.2
88.04063	3.6
95.01398	8.3
95.05003	1.1
96.95998	2.2
97.02961	83.7
97.06597	4.2
98.03305	2.7
98.20586	1.0
99.00891	2.6
99.04528	2.1
100.04041	1.7
101.02467	1.0
105.01939	0.8
111.00877	2.8
112.04142	0.8
113.02451	8.1
113.06101	1.5
114.05631	8.2
115.00394	8.1
115.04040	1.4
115.07646	5.7
116.05412	19.4
116.07182	1.6
117.00188	1.7
117.05627	0.9
122.03740	1.4
123.00909	3.2
125.02451	3.2
126.05621	0.9
128.03554	1.8
129.01987	4.9
130.94339	1.0
132.06624	1.3
132.71526	0.9
140.07195	1.5
141.01965	20.3
141.05605	10.3
143.03531	0.8
143.07161	8.5
148.95575	0.9
152.59485	0.7
158.08281	2.4
159.02956	2.2
159.06581	2.2
160.04315	6.7
160.06161	1.2
160.89281	0.8
161.08194	10.9
162.08629	1.1
168.37067	0.8
185.00958	1.4
185.04544	13.1
185.09338	4.1
186.07779	1.8
203.01982	100.0
203.05634	6.9
203.10416	2.3
204.03540	19.1
204.05171	0.6
204.08749	8.0
207.92258	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0827
Annotation	Tryptophan
Peak:m/z	Relative Intensity
53.77956	0.4
57.48656	0.4
59.01383	5.9
69.03456	0.6
69.54298	4.5
71.01402	1.2
72.00911	28.1
74.02479	37.9
75.02814	0.6
79.95731	0.6
83.23178	0.5
91.63655	0.5
96.96027	2.1
97.02990	1.3
98.19875	0.8
103.92078	0.5
112.98824	0.5
116.05080	100.0
117.05416	7.0
119.05031	1.4
128.05113	0.5
129.05832	0.6
130.06654	3.3
132.08211	0.8
137.00043	0.5
142.06642	29.7
143.07018	2.8
147.95036	0.5
148.95476	0.6
157.07741	1.0
159.09303	20.6
160.01660	0.7
160.09642	1.1
161.04843	1.1
161.06056	0.6
164.61357	0.5
186.05595	4.4
187.05989	0.6
203.08286	83.0
204.06657	1.0
204.08574	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	201.1246
Annotation	Ala-Leu
Peak:m/z	Relative Intensity
57.03429	1.0
58.02964	2.0
59.01377	11.0
64.44289	0.7
67.01920	0.7
68.99830	1.5
69.03466	1.7
71.01393	2.5
71.71579	0.9
72.00909	4.1
72.99305	1.0
73.02959	1.0
74.02479	10.7
75.00878	1.4
79.95741	3.0
80.50040	0.7
82.02998	8.2
83.05012	1.4
84.04549	19.3
85.02956	2.5
85.04934	1.0
86.02489	4.4
87.00886	1.3
87.04517	1.6
95.95275	1.5
96.96029	12.7
97.02985	1.1
98.02510	1.4
99.00894	1.6
99.04572	1.0
99.92599	1.4
100.04025	0.8
101.92593	0.8
110.02566	0.9
111.04556	1.6
113.02487	1.0
114.09269	5.9
121.02962	1.4
125.09785	2.0
126.09286	1.2
127.04051	1.0
127.08806	5.5
128.03558	13.3
128.10837	1.4
129.01991	0.9
129.10356	12.3
129.83258	0.9
130.08754	10.2
130.10747	1.2
139.07687	2.4
139.11290	2.2
140.10825	2.0
141.93669	2.2
144.04533	1.9
153.10364	4.1
155.08397	0.9
155.11926	7.0
157.08760	2.2
157.13478	10.8
158.03748	0.9
158.06116	1.7
158.08464	0.9
158.13846	1.3
158.89342	1.1
159.03151	1.5
159.89430	2.8
173.02405	1.0
173.06052	1.3
175.04086	1.4
181.09883	1.4
183.06712	2.3
183.11401	69.0
184.11801	5.3
201.02078	1.7
201.05635	3.5
201.07663	5.7
201.12503	100.0
202.02107	3.4
202.05188	1.3
202.12900	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	199.0978
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
54.55576	0.2
57.03429	0.4
59.01382	1.3
59.93987	0.2
60.38961	0.3
64.44158	0.2
67.01925	0.2
69.03442	0.6
69.80422	0.8
69.80855	0.9
70.29430	0.2
71.01375	0.3
71.05028	0.2
73.02949	0.5
83.05006	0.7
92.95527	0.2
98.19981	0.5
98.20586	0.4
111.00916	0.4
113.02470	0.5
127.00351	0.3
127.04016	0.3
130.88548	0.2
135.08177	0.2
137.09737	6.5
138.10086	0.7
155.10800	100.0
156.11139	8.5
156.89517	0.2
163.93022	0.3
166.15282	0.3
175.24002	0.3
181.08711	1.0
199.09776	11.6
199.13409	1.0
199.17009	0.9
200.10063	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0257
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01718	1.6
67.05614	0.3
68.56987	0.2
70.25418	0.2
70.85701	0.7
70.86057	0.3
78.89939	0.2
93.33289	0.2
113.04643	0.2
115.02585	0.2
157.03604	4.2
158.03752	0.6
159.01529	3.1
160.01674	0.4
201.02565	17.0
202.02719	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	201.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00114	0.5
57.03468	0.5
59.01379	83.9
60.01709	1.8
61.98829	0.6
69.03477	0.8
69.39835	2.8
69.40262	2.5
69.60283	0.5
70.20471	0.5
71.01408	0.6
73.36858	0.4
76.32178	0.5
77.91384	0.5
85.02943	0.7
87.04525	1.0
92.88969	0.5
95.01408	0.6
96.96055	0.6
98.20065	2.1
99.92547	0.8
113.02480	0.6
113.09740	30.7
114.10069	1.5
139.00371	0.7
139.11292	1.7
141.09235	21.2
141.10326	1.2
141.93698	1.3
142.09596	1.1
157.08755	0.9
157.12346	2.2
159.10283	100.0
159.89429	1.2
160.10616	7.6
165.89082	0.5
173.38115	0.5
183.10315	0.8
201.04004	0.7
201.05621	1.3
201.07570	0.8
201.11334	5.3
201.15009	1.2
202.01489	0.6
204.27196	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0978
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
55.01876	0.4
56.60110	0.5
57.03438	1.9
59.01379	42.1
59.10742	0.6
60.01706	0.7
63.01536	0.5
67.01885	1.4
69.03438	1.1
71.01372	1.3
71.05032	1.9
71.72572	0.5
73.02961	2.0
83.01390	0.6
83.05027	0.8
84.04549	0.7
85.02962	0.8
92.99834	1.0
95.05048	0.5
96.28321	0.5
96.95998	0.6
99.00881	1.7
99.58714	0.5
100.30019	0.5
104.72655	0.5
109.06600	0.5
111.00870	1.1
111.04589	1.3
111.08169	13.1
112.08506	0.5
113.02436	1.6
127.00400	0.6
127.04015	1.6
135.08176	0.6
137.09750	7.1
138.10107	0.8
139.07687	6.6
140.08014	0.8
153.12874	7.5
154.99860	0.6
155.10802	100.0
156.11159	7.6
156.89500	1.3
157.08728	52.3
158.09065	4.3
181.08733	0.9
199.06131	0.6
199.09766	11.5
199.13411	13.3
199.17085	3.3
200.10051	1.1
200.13757	1.1
207.10303	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0978
Annotation	Stagonolide C
Peak:m/z	Relative Intensity
57.01440	0.7
57.03454	7.4
59.01389	2.2
59.81569	0.8
61.98850	1.1
65.00317	0.7
67.05537	10.2
69.03457	16.6
71.01419	0.8
71.05023	2.1
71.72318	1.1
72.99317	1.8
73.02958	1.2
79.95755	0.8
81.03469	0.8
83.01383	1.0
83.05053	2.1
85.02966	2.0
85.06602	1.5
92.73658	0.7
92.99831	1.1
95.05028	0.8
96.96032	3.5
99.04501	1.0
109.06626	1.4
111.00904	0.9
111.04535	100.0
111.08153	1.3
112.04875	5.3
113.02489	3.3
119.05041	1.2
119.08678	3.2
125.09763	7.2
126.10100	0.8
127.03995	2.3
129.05643	0.8
135.01248	0.7
135.08154	1.9
137.06065	0.7
137.09735	3.7
138.97069	1.5
155.10786	9.4
156.89467	1.2
163.07625	1.1
169.08752	1.0
171.04494	1.0
180.97794	0.7
181.08717	31.6
182.09006	2.9
184.02040	0.8
199.04077	1.3
199.06071	1.3
199.09750	28.4
199.13414	6.5
199.17068	5.4
200.10048	3.0
200.13597	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1184
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
53.21301	0.2
55.01885	0.3
57.03446	0.3
59.01383	1.5
61.01823	0.4
61.98838	0.9
62.49206	0.2
69.03468	0.5
69.56425	0.2
71.01414	0.4
71.05013	1.3
71.43488	0.4
77.41391	0.2
78.95915	0.3
81.03481	0.5
83.01418	0.3
83.05037	0.6
95.01417	0.7
95.05034	0.6
97.06603	13.5
98.06918	0.6
98.41268	0.2
99.08165	4.5
109.02970	0.7
109.06612	0.9
110.02508	0.3
111.02679	0.2
111.08210	0.4
112.01664	0.4
112.04073	0.4
113.26633	0.3
117.03937	0.2
121.02967	0.9
122.03783	2.1
123.00915	2.5
123.04538	0.7
125.02482	0.8
125.09740	1.2
126.03228	0.6
126.09277	0.2
126.58474	0.3
126.90512	1.8
135.04518	0.3
137.02461	0.5
137.09729	2.0
138.03290	0.5
151.11293	0.9
153.01959	1.0
153.05666	0.6
153.12866	100.0
154.13202	9.3
160.84236	0.8
162.83907	2.5
166.99873	1.7
178.99911	0.7
179.10785	22.0
180.11147	2.0
182.02217	4.6
182.05853	0.4
186.01981	0.2
194.45151	0.3
196.89494	0.9
197.02197	0.6
197.04666	1.8
197.06284	0.3
197.08195	1.2
197.11833	11.2
197.15500	1.0
197.80804	1.7
198.07610	0.4
198.12189	1.6
198.15988	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1549
Annotation	cis-5-dodecenoic acid
Peak:m/z	Relative Intensity
55.01877	0.3
57.03226	0.2
57.03447	2.3
57.33450	0.1
59.95542	0.2
66.82294	0.2
67.00231	0.2
69.03445	0.9
69.56859	0.8
69.57275	0.8
83.05017	0.9
98.19892	0.4
109.06609	0.4
111.08182	0.3
123.07270	0.2
123.08179	4.4
124.08512	0.2
125.09727	0.3
137.09712	0.4
139.11310	14.8
140.11649	1.3
141.12878	1.6
145.95554	0.2
149.09714	0.2
151.11314	2.0
167.14436	9.2
168.14737	0.9
169.16054	0.3
177.12852	0.7
179.10800	0.3
179.14473	1.9
185.11861	0.3
193.12285	0.3
195.13905	4.4
196.14186	0.5
197.15480	100.0
198.15814	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0773
Annotation	L-Anticapsin
Peak:m/z	Relative Intensity
56.99742	0.7
57.03453	1.8
59.01367	1.5
61.98853	0.7
65.11871	0.8
65.21066	0.6
66.03484	1.0
66.95655	0.8
67.01897	0.9
67.43403	0.6
69.03461	2.2
69.31852	0.7
70.12463	2.0
70.12874	1.8
73.02966	0.9
73.84103	0.7
79.95770	0.9
80.96522	2.5
81.03467	1.2
82.02984	0.9
82.96104	1.1
82.96930	0.7
83.05021	1.9
85.02960	0.7
93.03516	0.9
96.96028	5.1
97.02941	0.8
98.95629	1.4
99.04514	1.1
106.82047	0.7
108.04543	2.2
109.02975	1.1
110.00797	0.7
110.06165	1.6
111.00896	1.2
111.04544	6.4
111.08160	4.5
112.04043	0.9
113.02478	1.8
119.05062	3.7
121.05326	1.7
121.80811	0.8
122.06129	3.7
124.07700	100.0
125.08029	5.9
126.09311	1.7
127.04070	1.2
134.06139	3.1
135.03336	0.8
135.04517	1.6
136.07697	65.3
137.02364	0.8
137.06093	3.1
137.08057	5.2
137.09721	1.3
138.05606	2.9
154.05122	1.5
154.08769	3.3
155.07156	1.7
155.10805	6.3
156.89543	1.6
168.06693	12.0
169.07047	0.8
180.06683	74.0
181.07037	5.1
181.08678	1.5
198.07726	19.7
199.00699	1.6
199.04492	1.4
199.06137	11.0
199.08022	1.3
199.09718	3.9
199.13399	3.9
199.17096	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	195.1391
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
54.65996	0.3
57.03447	29.9
57.20293	0.3
58.03786	0.8
58.82658	0.3
59.01378	6.3
61.27363	0.3
70.49882	1.1
83.05038	4.3
83.74236	0.3
85.06573	0.5
88.36208	0.3
91.54292	0.3
95.05014	0.6
95.07888	0.3
97.06592	2.4
99.08163	0.6
99.41385	0.3
101.06057	0.4
109.06605	5.2
110.06996	0.3
111.08147	0.7
121.06608	0.8
123.08174	5.3
134.07384	0.6
135.06650	1.1
137.09734	6.1
138.10033	0.3
139.07695	0.4
139.11317	2.5
149.09732	9.2
150.10075	0.6
151.11301	4.0
161.09702	0.8
163.11290	0.5
165.12852	7.9
166.13205	0.8
167.14400	3.9
168.14706	0.4
177.12842	4.9
179.10774	2.1
193.12311	0.7
195.13908	100.0
196.14247	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1391
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
57.03447	47.4
58.03762	1.0
58.37804	0.5
59.01373	3.2
59.50009	0.4
66.02090	0.5
69.03474	0.7
70.71468	1.3
70.71821	0.5
71.01385	1.0
75.00881	3.8
78.95899	0.6
79.70547	0.5
83.05030	22.7
84.05409	0.6
85.02972	0.9
85.06584	1.4
87.00881	1.7
89.60748	0.5
95.05026	0.6
96.96035	0.6
96.96988	2.9
97.06622	0.8
105.01962	1.6
109.06594	2.5
111.08147	1.0
121.06528	0.5
121.10346	0.5
123.08170	11.0
124.08525	0.9
129.01921	1.7
134.07327	1.0
135.08165	1.7
137.09746	8.1
139.11322	8.7
139.12347	0.9
140.11644	0.9
149.09727	12.1
150.10049	1.5
151.11281	5.5
161.09747	1.3
165.12877	6.0
166.13162	0.6
167.14407	2.3
177.12866	5.3
179.10765	3.5
180.10973	0.6
193.12267	0.8
195.03587	0.7
195.05086	3.3
195.13908	100.0
196.14249	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	195.1391
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
55.01860	0.6
57.03447	49.5
58.03782	0.9
59.01143	0.5
59.01382	5.9
59.17060	0.4
69.03448	0.5
69.62391	1.0
69.62788	3.4
70.42742	0.4
71.05035	0.5
79.97064	0.5
83.05030	23.8
84.05357	1.3
85.06587	1.4
95.05123	0.6
97.06614	1.0
109.06596	2.1
111.08170	1.3
121.06574	1.1
121.10218	0.6
123.07265	0.6
123.08172	11.6
123.09025	1.0
124.08487	1.3
131.97760	0.4
134.07408	0.9
135.06573	0.8
135.08159	1.8
137.09734	8.0
139.07657	0.5
139.11304	9.0
140.11597	0.9
149.09737	12.8
150.10019	1.4
151.07620	0.4
151.11278	4.1
154.44977	0.5
161.09726	1.7
165.12848	6.5
166.13214	0.8
167.14449	2.2
177.12866	5.8
179.10832	5.1
188.07840	0.6
193.12393	0.6
195.13921	100.0
196.14255	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	193.1235
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
57.03448	100.0
58.03788	2.4
59.01374	0.9
67.01904	0.7
69.03458	7.0
71.01393	1.3
71.10053	0.5
71.10387	0.7
73.02951	1.2
83.05040	0.8
83.51910	0.4
85.02970	1.4
87.00893	0.9
89.96973	0.3
95.05054	1.0
97.02967	0.8
97.06607	1.1
99.00913	1.2
101.02438	2.1
105.07101	0.4
107.05059	0.8
109.06601	29.1
110.06967	1.6
113.02491	0.4
120.05794	0.4
121.06602	3.1
122.07034	0.4
123.08183	7.7
124.74226	0.3
125.02453	0.7
125.09757	1.5
133.06625	0.4
134.03775	4.8
135.08179	39.4
136.08519	2.5
137.02531	0.6
137.09743	29.1
138.10088	2.3
149.06061	0.8
149.09750	1.1
150.06889	0.6
151.11299	0.8
153.05424	0.4
161.04593	2.5
163.11339	1.0
175.11278	1.8
177.09200	0.6
178.02734	1.3
178.09966	0.5
193.05118	1.0
193.07193	1.8
193.12347	40.8
194.12672	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	195.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70978	0.8
55.01877	1.1
57.03445	47.9
58.00581	1.7
58.03778	1.3
58.99588	0.9
59.01378	71.0
66.03477	0.8
67.01878	0.9
67.03001	2.2
69.03450	2.4
70.05070	3.0
70.05489	2.1
71.01384	16.1
72.01707	1.1
72.99307	6.6
73.02943	3.1
75.00877	81.2
76.01228	1.2
78.95908	13.7
80.96526	2.7
81.03482	1.0
83.01385	2.9
83.05029	20.6
85.02954	12.6
85.06586	1.8
86.03288	1.2
87.00887	38.7
87.04523	1.1
88.01240	1.3
89.00697	1.0
89.01277	1.9
89.02448	10.8
95.05083	0.8
96.96000	3.1
96.96973	29.2
97.02945	1.9
99.00893	13.9
100.01255	1.3
101.02449	5.2
102.02789	1.3
103.02880	1.4
105.01941	32.8
107.01749	2.1
107.05034	2.3
108.04568	4.0
109.06606	2.7
111.00896	5.8
111.08179	1.4
113.02486	2.1
117.01949	1.1
121.06559	0.9
122.03722	1.0
123.04523	1.5
123.08161	11.9
129.01953	36.2
130.02269	2.2
134.07329	1.0
135.06644	8.3
135.08148	2.0
136.01688	1.4
136.24167	0.8
137.09740	8.6
139.11305	8.1
141.01950	3.0
147.03029	11.3
148.03261	0.9
149.09738	14.8
150.03177	2.3
151.04022	2.5
151.07710	1.0
151.11305	4.3
152.03511	1.5
152.07248	0.9
154.06259	1.0
157.03987	0.9
159.03012	11.5
160.06128	1.6
161.09666	2.0
163.04997	6.3
165.01917	2.8
165.04135	1.0
165.05565	2.1
165.12842	7.9
167.14409	2.1
176.93608	2.2
177.04054	14.1
177.12889	5.0
179.10834	4.4
180.04323	2.2
195.05099	92.8
195.07808	5.9
195.13907	100.0
196.05489	4.6
196.14255	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	193.0507
Annotation	5,7-Dihydroxy-4,6-dimethyl-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
55.01877	1.0
57.03448	2.0
58.00595	0.7
59.01378	4.8
61.09476	0.2
62.61846	0.2
64.90495	0.2
69.03466	2.5
70.86550	0.2
71.01387	7.2
71.18507	0.6
72.99303	0.7
73.02953	7.7
75.00883	0.4
79.01890	0.6
81.03470	0.9
81.17645	0.2
83.01403	3.0
83.31933	0.2
85.02955	8.4
86.00105	0.8
86.03311	0.2
87.00883	6.0
89.02402	0.3
89.03980	3.7
95.01415	1.3
96.96058	0.6
97.02963	3.1
99.00896	6.4
101.02460	10.0
102.02764	0.3
106.04252	1.2
107.05048	0.3
108.04583	0.5
109.02933	0.3
110.80531	0.2
111.00912	0.8
112.01694	0.7
113.02480	1.7
115.04066	0.4
115.95580	0.3
117.01929	0.4
117.02644	0.4
117.03487	8.2
118.03838	0.6
121.02928	1.2
123.00911	0.9
124.01679	0.4
125.02460	2.9
133.03014	1.8
134.03767	100.0
135.04097	7.9
137.02461	5.0
137.09717	0.3
137.86836	0.2
138.02774	0.3
139.04045	1.9
140.01172	0.9
141.01968	2.9
142.02713	0.5
149.02480	0.3
149.06108	11.4
150.03246	0.6
150.06442	0.7
155.03537	1.7
159.02989	0.7
161.04584	13.8
162.04907	0.6
165.31073	0.2
175.06180	0.7
178.02739	20.5
179.03070	1.7
183.04875	0.2
191.05672	0.5
193.05096	19.0
193.07179	9.8
193.12268	0.3
194.05440	2.2
194.07533	0.8
195.51370	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.9
57.01408	0.4
57.03450	11.7
58.00581	0.5
59.01378	100.0
60.01713	1.8
67.01888	0.9
69.03462	1.1
70.00285	1.4
70.00702	1.0
71.01384	6.7
72.99293	0.9
73.02948	11.1
75.00869	1.2
83.01394	1.4
84.02162	1.7
85.02959	64.9
86.03306	2.3
87.00887	15.2
95.10194	0.4
99.00915	0.8
101.02462	0.7
103.00400	0.9
103.04004	3.0
111.00893	27.7
112.01223	1.2
112.98817	0.5
129.01950	2.7
129.05493	0.4
131.03525	12.7
132.03839	0.9
142.05032	0.4
147.02997	1.2
149.02795	0.7
153.62584	0.4
156.63850	0.4
173.00887	0.7
175.07596	0.7
191.01974	8.0
191.05617	7.2
191.10730	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	191.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22858	0.4
55.01874	1.8
57.03448	8.3
59.01377	100.0
60.01715	1.4
67.01890	0.8
68.99834	0.4
69.03451	1.3
69.75079	2.5
69.75439	0.4
71.01385	5.2
72.99307	0.8
73.02951	13.2
75.00884	1.1
83.01395	1.0
84.02194	1.2
85.02958	49.6
86.03291	2.0
87.00886	12.6
88.01225	0.5
101.02475	0.9
103.00362	0.7
103.04017	2.7
106.01392	0.4
111.00892	22.5
112.01248	1.3
123.68687	0.4
129.01982	2.9
131.03514	12.2
132.03874	0.5
139.03925	0.4
147.03026	1.3
151.08073	0.4
173.00876	0.5
176.01202	0.5
180.06691	0.4
191.01971	6.8
191.03648	0.8
191.05562	2.5
191.10719	0.6
192.02356	0.5
199.15160	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0563
Annotation	2-epi-5-epi-Valiolone
Peak:m/z	Relative Intensity
53.00300	0.4
55.01868	1.7
57.03448	9.3
59.01380	100.0
60.01722	1.8
67.01880	0.7
68.99835	0.4
69.03452	1.2
70.00517	1.8
71.01392	5.5
72.99309	0.4
73.02954	11.9
83.01398	1.4
84.02180	2.1
85.02959	50.4
86.03281	1.8
87.00884	10.6
87.04538	0.4
89.02454	0.3
92.08657	0.3
93.03477	0.6
98.19940	0.4
99.00908	0.6
101.02466	1.5
103.00401	0.6
103.04043	2.3
111.00901	12.9
112.49216	0.3
117.01981	0.5
127.03977	0.7
129.01964	1.5
131.03523	12.9
132.03850	0.6
147.03012	0.9
149.84241	0.3
191.01993	5.5
191.05640	13.3
192.06021	0.6
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	Citrate
Peak:m/z	Relative Intensity
55.01879	1.3
57.03445	5.7
59.01377	100.0
60.01704	1.7
67.01889	0.7
69.03439	1.5
70.83161	0.8
70.83520	0.6
71.01382	4.3
72.44655	0.3
73.02949	12.1
74.03307	0.5
83.01395	0.9
84.02180	0.9
85.02955	36.4
86.03300	1.3
87.00882	12.0
87.04530	0.4
93.03478	1.5
101.02458	1.2
103.00368	0.5
103.04021	3.2
111.00890	16.6
111.04557	0.4
112.01299	0.8
127.04034	0.9
129.01959	1.2
131.03519	12.2
132.03828	0.5
147.03008	0.9
173.01045	0.4
173.04593	0.3
191.02008	4.9
191.05615	24.6
192.05965	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	191.0199
Annotation	Citrate
Peak:m/z	Relative Intensity
55.01874	1.4
57.03449	12.4
59.01380	100.0
59.14258	0.4
60.01709	1.8
62.58499	0.5
67.01888	1.6
69.03460	1.4
70.89990	1.5
71.01389	6.2
72.99327	0.8
73.02954	12.0
75.00882	1.7
83.01402	1.5
84.02170	1.3
85.02961	64.1
86.03301	2.7
87.00888	23.6
88.01202	0.6
93.03473	0.9
99.00909	0.7
101.02475	1.5
103.04028	4.3
106.31213	0.4
111.00898	41.5
112.01213	1.7
112.98856	0.5
129.01984	4.0
131.03523	13.0
135.04227	0.5
147.02965	1.1
149.02844	1.0
149.04509	0.5
156.46707	0.5
173.00911	0.9
175.07565	0.6
191.02010	9.5
191.05652	7.2
191.10684	1.1
192.02205	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.02
Annotation	D-Galactaro-1,5-lactone
Peak:m/z	Relative Intensity
55.01879	2.4
57.03449	14.0
58.00590	0.2
58.03759	0.3
59.01379	22.1
59.81351	0.2
60.01706	0.4
60.03860	0.2
68.99818	0.6
69.78902	1.3
70.01147	0.2
71.01389	2.8
72.99309	0.8
73.02952	3.3
75.00871	0.4
83.01395	1.8
84.02175	3.3
85.02959	100.0
86.03288	3.2
87.00883	2.1
87.42694	0.2
93.03498	0.2
99.00896	0.8
103.00410	1.3
103.04024	0.7
111.00900	3.2
112.01234	0.2
124.96333	0.2
129.01117	0.2
129.01950	1.3
131.03531	2.7
139.12788	0.2
147.03027	3.4
147.04358	0.3
148.01637	0.3
173.00920	0.6
176.01167	1.3
191.01990	11.0
191.03468	0.6
191.05559	1.4
191.10794	0.5
192.02292	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0199
Annotation	2-Dehydro-3-deoxy-D-glucarate
Peak:m/z	Relative Intensity
55.01886	2.6
57.03447	18.5
59.01379	85.2
60.01702	1.3
67.01904	1.4
68.99830	1.4
69.03446	1.3
70.90133	1.1
70.90468	1.3
71.01392	6.0
72.99315	0.7
73.02953	9.5
74.03269	0.6
75.00880	2.3
80.70755	0.5
83.01407	2.8
84.02183	2.5
85.02959	100.0
86.03300	2.5
87.00887	27.0
88.01222	0.7
99.00853	0.7
101.02480	1.3
103.00379	0.8
103.04021	2.2
111.00894	57.2
112.01224	2.7
115.00413	0.8
117.47413	0.6
129.01938	4.6
131.03543	8.8
132.03850	0.7
135.51332	0.6
147.03003	1.8
147.57390	0.5
173.00899	1.5
191.01997	14.6
191.05609	5.6
192.02299	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76686	0.3
55.01880	2.6
57.03450	15.8
58.00595	0.8
59.01379	25.6
60.01694	0.4
68.99820	0.9
69.03450	0.5
69.61671	1.0
69.62101	1.7
69.68344	0.3
71.01392	3.6
72.99316	0.8
73.02946	2.7
75.00879	1.8
79.95721	0.3
83.01384	2.5
84.01710	0.4
84.02171	3.4
85.02958	100.0
86.03292	3.0
87.00880	3.1
93.03469	2.4
94.03793	0.3
96.51500	0.3
96.96048	0.4
98.20615	0.7
99.00853	0.4
103.00396	1.4
103.04021	0.7
111.00894	6.5
115.00391	0.8
121.02941	0.4
129.01956	1.0
130.04280	0.5
131.03511	2.2
131.04997	0.4
132.05830	1.4
133.06630	1.4
143.05070	0.9
145.06592	2.1
145.95848	0.4
147.03024	2.8
147.04532	0.8
147.08284	0.3
148.66107	0.3
158.03816	0.4
161.06096	1.9
163.07672	1.8
173.00938	0.6
173.06099	1.3
175.07639	1.3
176.01216	1.3
176.04771	0.5
191.01987	10.5
191.03473	0.6
191.05679	1.6
191.06979	1.6
191.10777	3.7
192.02354	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.2
57.03447	14.0
58.00585	1.1
58.03787	0.6
59.01379	39.4
60.01701	0.8
68.99821	0.5
69.03446	0.7
71.01385	4.4
72.99318	0.8
73.02953	5.1
75.00873	4.0
79.95744	19.0
83.01384	2.7
84.02168	2.9
85.02958	100.0
86.03295	4.3
87.00894	3.3
89.02461	0.3
93.03468	3.2
95.95206	0.8
96.96021	16.1
98.19996	1.8
99.00890	0.7
101.02472	0.6
103.00368	1.3
103.04009	0.9
111.00892	10.7
115.00392	0.8
119.05012	0.4
129.01974	2.7
129.20657	0.4
131.03532	4.4
132.05844	0.5
133.06583	1.0
143.05014	1.2
145.06610	3.0
147.03029	2.0
147.04471	0.9
147.08258	0.4
161.06116	1.1
163.07657	2.4
173.00925	0.6
173.06111	1.1
175.04105	0.4
175.07655	2.6
176.01201	1.6
176.04898	0.6
191.01996	10.1
191.03522	0.9
191.05618	2.7
191.07184	1.5
191.10777	7.4
192.02338	0.6
192.06726	0.5
192.11086	0.7
202.53365	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0354
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
55.69215	0.1
59.01376	2.1
65.99866	0.1
71.40897	0.3
72.99320	0.2
73.02924	0.2
84.95023	0.1
85.06609	0.3
87.92564	0.2
94.77843	0.1
99.00909	0.2
102.03510	0.3
102.77630	0.1
103.92037	0.2
115.04033	0.2
116.05053	0.3
117.03496	0.2
119.05021	0.2
123.94753	0.2
127.00417	0.1
127.07618	0.3
129.05565	0.3
130.08774	0.2
143.07153	0.2
144.04565	100.0
145.02998	0.3
145.04913	7.9
147.06696	0.2
152.49078	0.2
159.03294	0.5
159.04503	0.2
161.02423	0.3
161.06133	0.2
170.88986	0.3
174.03230	0.2
188.03516	4.4
188.09332	0.2
189.01968	0.4
189.03906	0.3
189.05591	0.8
189.07660	0.4
189.09279	0.2
202.41162	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1391
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
71.42893	0.4
71.44640	0.3
96.97518	0.3
142.14708	0.3
183.13914	100.0
184.14262	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.01
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.7
59.01378	79.3
59.50074	0.5
60.01709	1.3
61.98833	4.3
69.35847	1.4
69.36246	5.2
71.01397	1.5
73.02940	0.7
74.99352	0.7
75.00890	0.5
83.05056	0.7
90.97161	0.8
97.06611	2.0
99.00872	0.7
114.98882	0.9
115.02508	2.7
117.00462	10.1
118.00598	1.2
123.08175	1.0
125.06078	0.8
125.08829	0.8
125.09738	14.8
126.10104	1.0
132.98239	0.9
141.12906	0.6
141.86856	1.7
142.89464	1.4
143.02087	1.1
144.99982	2.5
159.01514	100.0
159.87881	1.5
160.01640	10.8
168.88898	0.9
169.08670	1.1
186.90065	0.9
187.01009	16.0
187.03886	1.2
187.06194	1.0
187.07933	0.8
187.09755	7.6
187.13408	1.9
188.00571	3.1
188.03523	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.134
Annotation	[1S-(1a,2a,3b,4b)]-1-methyl-4-(1-methylethyl)-1,2,3-Cyclohexanetriol
Peak:m/z	Relative Intensity
55.01878	0.5
56.20157	0.2
59.01375	1.7
61.98827	4.1
70.64165	0.4
70.64569	0.4
71.01381	0.9
72.99310	0.6
80.26801	0.2
83.05032	0.4
84.02160	0.2
87.92545	0.3
88.98807	0.3
90.97176	0.3
95.05038	0.3
96.99371	0.4
97.06567	1.1
99.00908	0.3
99.92622	0.3
113.09752	0.8
122.89455	0.5
123.08204	0.3
125.06130	0.2
125.09733	6.1
126.10048	0.6
126.24251	0.2
137.09691	0.3
139.11305	4.0
141.12868	100.0
141.86824	9.7
142.13199	7.8
143.05008	0.3
144.04584	0.8
147.96382	0.3
159.04518	0.3
159.87883	6.7
160.04109	0.3
168.88887	0.4
169.12346	2.4
185.11865	1.4
186.89998	0.5
187.09923	3.9
187.13400	90.9
187.86104	1.1
188.03554	0.7
188.13742	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	178.9508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.1
61.98835	0.7
70.08952	1.0
71.01386	0.5
75.16198	0.2
85.02979	0.2
87.00884	0.4
89.02464	0.3
91.41505	0.2
119.93701	0.4
134.96103	11.0
135.96144	1.2
136.94020	100.0
137.94095	9.8
138.94417	0.2
139.92513	0.2
151.92732	10.9
152.92828	1.2
154.95105	0.4
156.73106	0.2
169.28345	0.2
178.95068	54.5
179.05626	0.3
179.95180	7.5
196.96144	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0563
Annotation	muco-Inositol
Peak:m/z	Relative Intensity
55.01865	1.1
55.75348	0.9
57.03440	4.5
58.00576	2.2
58.13724	0.7
59.01378	44.8
60.01724	0.8
68.99837	1.3
69.03470	1.9
71.01382	27.4
71.05021	2.4
71.70971	1.2
72.99309	10.3
73.02950	8.8
74.93428	0.6
75.00876	76.4
76.01225	1.1
76.96786	0.7
81.03470	11.3
82.62884	0.8
83.01391	7.8
84.02180	1.4
85.02954	44.0
86.03260	1.1
87.00887	9.4
89.02453	34.0
90.02800	0.7
90.98602	1.4
95.01353	0.8
96.96963	1.5
97.02953	10.1
99.00890	4.3
99.04523	3.5
101.02463	4.8
113.02448	2.0
125.02454	1.8
129.01997	0.9
131.03510	22.4
132.03847	1.2
143.03517	10.0
144.06693	2.1
159.03001	1.2
161.04567	54.3
162.04904	2.7
179.05617	100.0
180.05965	5.5
189.41237	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0871
Annotation	Sapinofuranone B
Peak:m/z	Relative Intensity
55.01882	4.1
57.03436	2.7
58.00583	3.3
59.01377	62.0
60.01699	1.3
65.00302	1.0
67.05531	26.9
68.05862	1.7
69.03155	0.9
69.03465	8.5
69.11141	0.7
71.01384	90.3
72.01707	2.5
72.99310	3.1
73.02951	28.8
76.03584	0.7
80.33096	0.7
81.07127	1.1
83.01387	5.9
85.02962	16.8
87.00883	2.7
89.02449	55.4
90.02767	1.3
91.04014	1.7
93.03460	1.2
95.01398	1.2
96.00734	0.7
96.96018	5.9
97.02946	5.0
98.20732	1.7
101.02454	60.7
102.02790	2.3
109.02977	1.2
109.06586	1.0
111.04497	1.1
113.02466	8.1
115.03997	4.3
118.37985	0.7
119.03497	9.5
121.05071	1.0
121.06592	1.3
123.00893	1.7
129.53296	0.7
131.03516	5.3
134.72112	0.8
135.08162	0.9
137.02370	1.3
137.06131	1.1
137.09732	2.5
138.05627	1.4
139.07664	0.9
149.04582	1.7
151.00386	8.1
152.00732	0.8
154.05696	0.8
163.06125	8.1
163.99666	0.7
166.02731	15.8
167.02997	1.0
181.05286	3.6
181.07170	100.0
181.08719	74.1
182.07529	4.3
182.09052	7.2
201.41663	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0921
Annotation	3,5-Dimethoxyallylbenzene
Peak:m/z	Relative Intensity
55.06960	0.3
57.03437	0.9
59.01379	14.0
65.03954	0.3
68.96304	0.3
68.99812	0.4
69.03458	10.8
70.91843	0.4
70.92171	0.5
71.01390	1.5
75.00880	0.5
76.33016	0.3
77.03915	0.4
79.05520	0.3
79.95748	2.7
83.01434	0.4
83.05051	0.6
83.23145	0.3
85.02966	0.6
87.00878	0.6
89.02477	0.4
91.21272	0.3
93.03462	0.8
95.01384	1.1
95.05036	2.8
96.96024	2.5
97.98553	0.3
99.00896	0.6
105.03471	1.1
105.07140	0.7
107.05029	1.2
107.08685	0.3
109.06593	1.2
111.04546	0.7
115.00365	0.5
115.64130	0.3
117.07080	0.5
119.05055	1.0
120.05838	0.5
121.02962	0.6
121.06613	13.0
122.06943	1.0
127.79014	0.3
129.01941	0.6
133.02963	3.5
133.06613	11.0
134.03758	0.8
134.06984	0.8
135.08188	11.1
136.08490	1.0
143.05032	1.0
149.02473	0.5
149.09732	0.9
159.08176	4.4
160.08588	0.4
161.06099	15.2
162.03259	5.9
162.04587	0.3
162.06438	1.4
163.03612	0.6
171.00746	0.3
177.02003	3.9
177.06001	2.5
177.09230	100.0
178.05055	0.4
178.09576	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	175.0613
Annotation	2-Isopropylmalic acid
Peak:m/z	Relative Intensity
50.14079	0.5
52.11860	0.5
57.03447	1.1
59.01377	7.4
68.99817	0.7
71.01395	1.7
71.05003	1.5
71.10039	1.3
71.99766	0.6
73.98917	0.5
79.41234	0.5
85.02959	0.9
85.06597	43.4
86.03258	0.5
86.06931	2.3
87.00891	1.4
87.04510	1.2
89.25533	0.5
103.09106	0.5
113.06101	39.4
114.06429	1.8
115.00378	1.3
115.04026	100.0
116.04369	4.3
119.05078	0.7
119.68658	0.5
129.05569	1.8
129.09232	0.8
131.03682	0.6
131.07153	8.6
132.07495	0.7
147.04555	1.6
157.05092	9.9
158.05374	0.7
160.01651	1.3
174.88977	1.5
175.06137	61.3
176.06479	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	175.0613
Annotation	2-Propylmalate
Peak:m/z	Relative Intensity
55.63657	0.2
57.03441	0.4
59.01378	100.0
60.01711	2.0
60.72155	0.2
67.41727	0.2
69.03455	0.7
71.01384	1.8
71.05023	6.0
72.05392	0.3
72.99312	0.3
73.02958	0.7
75.00872	0.3
83.01384	0.3
84.04572	0.8
85.02963	1.1
85.06606	0.7
87.00874	2.4
87.04518	0.4
89.03564	0.3
96.99358	0.4
97.02975	0.5
98.02611	0.2
99.00915	0.3
100.98819	0.5
101.02457	0.4
112.46613	0.2
113.02464	0.4
113.06090	1.5
115.00390	1.5
115.04028	8.4
116.04397	0.3
117.01930	0.3
124.98872	0.5
127.97540	0.3
129.01976	0.3
131.03648	0.2
131.07108	0.4
133.05081	3.1
157.01463	0.5
157.05121	0.8
175.02539	0.7
175.04024	0.3
175.04607	0.3
175.06123	2.4
176.06584	0.3
180.87872	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0613
Annotation	2-Propylmalate
Peak:m/z	Relative Intensity
53.91154	0.3
57.03455	0.5
59.01378	100.0
60.01713	1.6
68.99815	0.6
69.03461	0.3
71.01393	2.9
71.05023	6.7
71.40090	0.7
72.99294	0.6
73.02956	1.0
75.00891	0.4
78.95917	0.4
83.01426	0.3
84.04549	1.3
85.02951	3.1
85.06601	1.5
86.64812	0.3
87.00883	3.3
87.04543	0.4
97.02953	0.4
100.98834	1.0
113.06067	2.4
115.00390	2.3
115.04025	8.2
121.07442	0.3
124.98853	0.6
129.09222	0.3
131.03642	0.4
131.07124	0.5
133.05115	1.1
147.04510	0.7
157.05096	0.5
160.01746	0.5
161.81815	0.3
174.89038	1.0
175.02478	1.0
175.04044	0.9
175.06204	2.6
175.07599	0.5
175.09857	0.7
176.03539	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1185
Annotation	2-hydroxynonanoic acid
Peak:m/z	Relative Intensity
55.01880	0.6
57.03434	1.7
59.01379	7.2
60.34121	0.5
60.99298	1.8
65.03958	0.5
67.01890	9.5
68.02234	0.6
68.99833	0.5
69.03441	2.6
70.05527	1.7
70.05943	0.7
71.01392	6.3
71.05009	0.5
72.99312	2.5
73.02952	7.3
74.03281	0.4
75.00889	0.6
81.03467	1.2
83.01401	0.9
83.05035	4.3
85.02950	4.0
85.06595	1.1
88.04070	0.7
93.03469	50.1
94.03791	2.5
95.01402	0.6
97.02983	0.7
99.00904	4.4
99.04501	2.3
101.02457	1.0
109.02935	0.7
111.00893	2.5
111.04533	9.4
111.08182	4.7
112.04868	0.4
112.08515	0.7
112.98798	0.7
113.02439	0.9
113.06093	0.5
115.00345	0.8
123.00921	0.7
127.11314	9.2
128.11673	0.5
129.01976	1.3
129.05603	0.6
129.09213	3.0
131.03807	0.5
131.07166	5.9
137.02480	4.0
142.99873	1.2
143.03508	0.4
145.01472	1.2
145.02950	0.8
146.06113	0.7
155.03584	1.9
155.10820	2.1
159.03261	0.5
171.10277	1.0
173.00932	0.7
173.02466	1.0
173.04558	6.4
173.06049	1.4
173.08215	3.8
173.11839	100.0
174.01964	0.7
174.05525	0.6
174.07733	2.4
174.12187	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	175.0249
Annotation	(4S)-4,6-Dihydroxy-2,5-dioxohexanoate
Peak:m/z	Relative Intensity
57.03446	4.3
58.00577	2.1
59.01379	100.0
68.99812	5.3
69.03440	4.2
71.01382	26.1
71.05038	5.7
71.70300	3.8
72.99311	7.1
73.02963	7.4
75.00874	6.8
80.65268	2.0
83.01385	2.6
85.02964	11.5
85.06606	4.0
87.00885	21.6
87.04520	2.7
89.03584	2.2
96.99316	3.1
97.02910	2.6
99.00891	3.9
100.98813	57.7
101.02465	6.3
101.99189	2.5
113.02426	3.6
113.06095	13.5
115.00388	26.1
115.04032	31.5
117.01978	3.8
124.98792	10.7
127.97527	39.7
128.35400	2.2
130.99881	2.6
131.03529	2.7
133.05106	18.3
142.33371	1.8
142.99852	10.4
157.01462	4.8
157.05084	4.9
159.87556	1.9
166.28717	1.8
174.39658	1.8
174.88976	3.8
175.02504	8.2
175.03897	3.2
175.06181	17.9
175.07570	3.6
175.09792	1.9
176.03574	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	173.0093
Annotation	L-dehydro-ascorbate
Peak:m/z	Relative Intensity
53.00308	2.2
55.01875	7.6
57.03442	2.7
58.00602	1.0
58.02979	2.2
59.01382	10.7
67.01891	2.9
68.99844	2.1
71.01385	100.0
71.04956	3.2
72.01730	2.7
72.99306	4.6
73.02954	7.6
80.99812	1.3
81.03455	1.2
83.01394	10.6
85.02956	3.6
86.06113	1.5
87.00869	5.7
93.03484	4.4
96.99297	4.6
99.00896	41.2
100.01204	1.3
100.07690	2.8
101.02440	1.9
111.00890	6.4
111.04543	1.4
111.22693	0.9
112.98825	63.2
113.99152	2.0
115.00372	6.8
124.98823	26.8
128.07193	5.9
129.01953	2.0
129.10345	1.7
130.04079	0.9
130.05107	1.1
132.06628	1.1
140.98302	2.1
142.99878	66.9
144.00221	2.8
173.00911	14.8
173.08095	1.2
173.09398	1.9
174.07735	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	173.0092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	1.5
53.65535	0.7
55.01885	8.2
57.03453	4.7
58.02974	1.7
59.01383	6.2
60.99303	0.9
62.24551	0.8
65.06783	0.8
67.01896	2.9
67.05522	1.0
68.99828	3.7
71.01385	100.0
71.40189	1.8
72.01731	2.6
72.99319	3.4
73.02941	8.0
80.99854	1.7
82.47430	0.8
83.01392	12.1
85.02959	9.5
85.06570	1.2
87.00887	4.4
87.20530	1.0
88.04062	1.3
93.03490	3.2
96.99302	5.5
99.00891	36.3
99.04523	1.0
100.01214	1.6
101.02486	1.3
104.49922	0.8
106.27414	0.8
111.00892	18.8
111.04549	3.2
111.08145	0.9
112.98824	26.8
115.00379	3.1
124.98823	23.5
124.99746	1.4
129.01979	4.2
129.05579	4.4
130.05089	1.1
131.08244	1.2
140.98314	0.8
142.99878	54.3
144.00264	2.0
154.99902	1.3
155.03543	1.6
173.00932	17.2
173.04604	2.6
173.09392	2.0
174.01393	1.0
174.07703	2.0
176.79893	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0982
Annotation	Acetyl-DL-Leucine
Peak:m/z	Relative Intensity
58.02967	1.2
59.01376	10.1
61.86862	0.2
69.03486	0.2
70.02911	1.1
70.03317	0.5
70.39149	0.2
71.01397	0.3
80.36373	0.2
82.06645	0.8
84.04601	0.3
85.06595	2.3
93.03461	1.7
111.00895	0.4
111.04523	0.4
113.06107	1.7
125.97321	0.3
128.10826	2.5
128.13304	0.2
130.08754	100.0
131.07156	10.6
131.09103	5.0
172.09807	13.7
173.04601	0.4
173.10130	1.0
173.11526	0.2
184.54439	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0092
Annotation	L-dehydro-ascorbate
Peak:m/z	Relative Intensity
53.00306	2.0
55.01886	8.2
55.50721	0.9
57.03445	5.2
58.02977	5.7
58.37589	0.8
59.01376	10.8
67.01887	2.9
68.99824	3.5
69.03439	1.1
71.01383	100.0
71.33421	1.0
71.71520	1.5
72.01723	2.9
72.99305	6.1
73.02935	7.1
80.99826	1.6
83.01392	12.9
83.05029	1.9
85.02957	23.8
85.06606	4.7
87.00880	6.0
88.04055	10.7
93.03471	5.5
96.99308	5.5
99.00887	37.8
99.04546	1.5
100.01223	1.7
100.07694	2.7
101.02497	2.4
111.00894	22.4
111.04514	8.1
111.08182	1.2
112.98821	34.6
112.99612	2.0
113.02455	0.9
113.99140	1.3
115.00383	4.7
124.98824	24.8
125.99166	1.4
128.07162	7.1
129.01949	7.9
129.05598	3.2
130.05124	2.8
132.06737	1.7
140.98318	1.1
142.99876	61.7
144.00208	3.3
145.01358	0.8
154.99913	2.1
155.03516	4.6
159.47046	0.9
173.00911	18.1
173.04564	6.6
173.08078	1.5
173.09413	2.2
174.07732	9.3
180.52403	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65553	0.2
59.01371	0.6
62.17849	0.2
65.03983	0.3
69.60162	1.8
70.02975	1.6
71.01382	0.6
71.89928	0.2
72.99323	0.4
78.95910	4.1
79.95755	0.8
80.75240	0.2
81.03457	0.2
83.05027	1.1
85.06572	0.4
86.06975	0.3
89.02132	0.2
96.96022	6.3
96.96982	0.5
97.02975	0.3
99.00870	0.4
99.04528	0.2
99.05676	0.4
99.50477	0.2
109.02982	0.5
109.04090	0.3
109.06607	0.3
110.02499	0.3
112.04066	0.6
114.05589	0.3
119.05038	2.5
126.05638	0.7
126.09274	1.1
127.00387	0.3
127.04031	0.5
127.05109	0.6
127.07619	0.5
128.07195	100.0
128.19354	0.3
129.07533	5.5
135.04527	0.3
152.11617	0.5
152.96461	0.2
170.04608	1.6
170.08249	14.4
170.12746	0.7
170.98311	0.2
170.99536	1.3
171.02977	0.3
171.06657	0.4
171.08582	0.8
171.10275	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02975	100.0
59.02686	0.4
59.03315	2.4
61.98817	0.3
65.54641	0.2
68.99826	0.4
69.03446	0.6
69.96044	0.6
69.96461	0.9
70.02980	0.8
71.01376	0.2
80.96506	0.4
81.03455	0.3
82.02988	0.4
85.02939	0.3
87.00890	0.4
97.02957	0.6
97.06595	0.3
98.19972	0.4
108.04585	0.3
122.89424	1.2
124.04059	0.7
124.04859	0.3
125.02459	8.6
125.06116	0.4
125.09736	0.8
132.86838	0.3
151.00371	0.3
151.11317	0.6
153.01617	0.3
153.99016	0.5
167.99799	0.3
168.06699	0.3
168.13942	9.9
169.01439	4.1
169.12340	0.5
169.14317	0.7
176.88225	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1236
Annotation	6-endo-Hydroxycineole
Peak:m/z	Relative Intensity
52.27654	0.7
57.03436	1.7
59.01374	1.4
61.98824	3.0
65.00315	1.7
67.01894	1.1
68.99828	2.5
69.03461	5.7
69.54662	7.8
71.01395	1.8
71.05017	1.8
79.01931	1.0
81.03462	2.8
83.01393	2.2
85.02977	1.8
87.00868	2.3
88.04013	1.0
95.01392	1.6
95.05039	1.0
96.96019	5.5
96.99332	1.6
97.02967	5.8
97.06622	2.0
97.93119	2.3
98.02501	1.4
98.79498	0.9
99.04527	1.2
107.01438	0.9
107.05062	1.3
109.02926	0.9
111.00871	1.1
112.04044	1.3
112.14551	0.8
113.02436	1.6
119.05031	3.2
122.89455	11.2
124.01675	1.0
125.02460	64.5
125.06086	3.0
125.09737	5.6
125.99592	1.6
126.02798	4.2
127.03970	1.1
128.07198	10.3
134.86539	1.4
139.00389	1.1
140.03534	3.1
151.00356	3.6
152.00769	0.8
152.07205	1.4
153.99121	3.4
168.83629	2.5
169.01451	29.6
169.03766	1.1
169.05083	3.2
169.06317	1.5
169.08701	3.4
169.12354	100.0
169.91650	1.7
170.01762	1.2
170.04706	4.3
170.08205	4.2
170.12704	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23578	0.6
55.01878	1.6
57.03445	0.9
59.01377	7.9
66.13261	0.6
70.12437	1.0
70.12856	2.4
71.01385	7.2
72.99307	5.3
73.02960	3.1
75.00879	46.8
76.01228	0.7
77.03967	2.8
85.02959	1.8
87.00883	100.0
88.01212	2.7
89.02433	3.1
93.03481	0.7
94.02995	1.0
98.20628	0.8
99.00892	12.1
100.01260	0.8
101.02461	4.9
105.01945	76.8
106.02304	2.7
117.01970	4.3
119.03519	1.1
121.02970	50.1
122.02496	9.4
122.03329	3.1
129.01942	5.9
135.02989	1.6
147.03008	8.8
148.03346	0.8
164.89648	2.4
165.02066	4.7
165.04056	85.4
166.04335	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	165.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.4
63.50089	0.7
65.00312	1.6
65.03967	0.7
66.03488	4.9
69.03451	1.2
69.46302	6.8
71.01387	8.3
72.99315	8.3
73.02950	2.8
75.00866	3.8
77.03993	4.6
80.05054	1.5
81.03466	1.1
85.02937	4.2
85.12556	0.6
87.00878	7.1
87.04537	0.9
89.02443	3.3
92.99807	1.4
93.03468	6.7
94.02996	1.7
95.01423	0.9
95.05006	0.6
101.02450	4.0
105.01960	5.5
108.02189	1.3
108.04561	4.6
109.02967	2.9
119.05047	10.0
120.05372	1.4
121.02974	100.0
121.05666	1.8
121.06621	2.8
121.10252	21.8
122.02460	3.1
122.03335	5.4
122.06159	3.9
122.10559	2.1
123.00851	0.8
123.04562	0.9
124.04042	1.0
135.04559	1.2
136.04088	0.9
136.05299	1.7
137.02481	5.2
137.06090	1.0
138.05615	6.4
147.04532	25.8
147.06479	1.0
148.04880	2.2
149.00978	3.7
149.02173	0.6
150.03244	15.9
151.00394	2.9
151.03664	1.4
164.83606	1.6
164.89532	5.5
165.01949	14.1
165.04086	7.5
165.05580	14.6
165.07750	3.6
165.09238	11.6
166.01321	1.0
166.05052	9.9
166.09680	0.8
180.46602	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0407
Annotation	D-Arabinonate
Peak:m/z	Relative Intensity
55.01875	1.0
55.24699	0.3
57.03445	0.6
59.01380	7.4
67.82374	0.3
68.99817	0.6
70.71664	0.7
71.01390	6.2
72.99317	4.2
73.02952	2.5
75.00882	27.6
75.67099	0.3
76.01233	0.6
83.01381	0.4
85.02975	0.9
87.00887	100.0
88.01224	3.3
89.02454	3.3
99.00894	12.3
100.01216	0.4
101.02451	4.9
105.01952	80.5
106.02294	2.8
117.01952	3.8
119.03525	0.9
120.04842	0.3
129.01974	3.0
135.03023	2.7
147.03018	10.1
148.03453	0.4
165.04066	72.9
166.04404	4.2
184.31369	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11381	0.6
51.73904	0.6
57.03433	0.6
57.04021	0.6
59.01375	2.2
65.55995	0.5
66.20507	0.6
69.03457	0.7
71.01383	11.1
71.05028	22.8
71.10194	0.9
71.10543	1.2
72.05325	0.7
73.02949	1.9
77.74303	0.6
81.03441	0.8
84.02213	0.6
85.02966	2.9
85.95759	0.5
87.04524	12.6
88.04883	0.6
88.73137	0.7
99.04533	61.1
100.04857	2.6
101.02442	1.2
101.06089	0.8
115.04026	37.2
115.07650	7.1
116.04395	2.0
117.05592	34.2
118.05916	2.1
118.53194	0.7
131.03535	1.2
161.08212	100.0
162.08563	7.1
181.83562	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0767
Annotation	Isoeugenol
Peak:m/z	Relative Intensity
57.03408	0.2
59.01374	1.5
62.06096	0.1
62.83563	0.1
64.19476	0.1
67.75654	0.1
70.87931	0.3
71.01382	1.1
72.99311	0.5
73.02937	0.5
85.02946	0.9
87.00901	0.2
89.02459	0.2
91.01910	0.3
91.05531	0.2
93.03449	0.3
97.02952	0.2
101.02457	1.4
109.02982	0.2
119.05045	17.7
120.04599	0.3
120.05339	1.3
121.02952	1.9
122.03770	0.3
136.04033	0.2
143.03503	0.2
145.05095	0.2
147.04532	2.8
148.05324	100.0
149.05649	8.6
160.16228	0.2
162.89395	0.8
163.00420	0.7
163.04025	1.7
163.06169	1.6
163.07672	5.2
164.03523	0.2
164.08052	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0718
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
50.49145	0.5
53.84074	0.4
57.24151	0.4
59.01367	0.5
69.05875	0.4
71.01395	0.9
71.17413	0.9
71.17741	0.4
72.00911	37.8
72.99310	0.5
75.00882	1.6
85.02988	0.6
87.00883	3.0
89.02486	0.4
91.05549	2.0
93.03487	0.8
94.17805	0.5
99.00862	0.6
101.02480	0.6
103.05517	0.6
105.01940	2.1
119.05049	1.2
120.05376	2.5
121.02982	4.9
146.06181	0.7
147.04535	100.0
148.04863	9.3
150.03249	2.2
164.07178	53.5
165.01921	1.0
165.04066	2.4
165.05579	1.4
165.07530	4.9
172.83652	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0456
Annotation	3-Hydroxy-3-methylglutarate
Peak:m/z	Relative Intensity
55.01870	7.1
57.03448	46.2
58.00592	4.0
59.01377	83.9
60.01704	1.5
62.60627	1.7
69.03456	9.1
71.01382	79.6
71.05019	40.2
72.99315	6.8
73.02949	57.6
74.02459	2.1
74.03308	1.9
75.00882	3.7
76.27081	1.5
79.95727	1.9
81.03461	10.8
83.01389	22.7
84.02161	2.0
84.04583	1.7
85.02955	85.9
85.04894	1.7
86.03298	3.3
87.00880	45.6
87.04532	3.8
88.01218	1.7
88.04012	3.2
89.02448	14.6
89.04379	2.2
95.01415	3.8
96.96018	2.2
97.02959	10.4
99.00889	14.8
99.04526	90.9
99.06438	1.9
100.04868	3.5
101.02452	92.9
102.02789	3.6
113.02480	14.5
113.90373	1.9
114.02820	1.7
115.04020	18.9
115.07632	1.8
116.04347	2.0
117.05588	26.9
125.02438	8.8
131.03522	32.1
143.03514	68.0
144.03940	3.4
161.02444	4.1
161.04572	100.0
161.06509	8.6
161.08183	3.4
162.01971	3.2
162.04922	4.1
170.10474	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	161.0822
Annotation	Oleandrose
Peak:m/z	Relative Intensity
57.03441	2.4
59.01376	13.5
69.03464	1.8
70.61860	1.3
70.62228	1.5
71.01388	19.2
71.05024	23.2
71.62837	0.6
72.01703	0.9
72.05357	1.1
72.99314	1.0
73.02948	10.1
73.32718	0.7
75.00862	0.8
81.03458	2.3
83.01390	2.8
84.90901	0.8
85.02448	0.9
85.02959	17.1
85.67842	0.6
87.00887	2.0
87.04522	13.6
89.02457	2.3
96.95972	0.8
97.02945	1.1
99.04530	71.8
100.04871	2.8
101.02451	4.8
104.98322	0.7
105.40426	0.6
113.02451	4.2
115.04028	39.1
115.07660	9.3
115.92128	0.6
116.04354	2.2
117.05590	41.0
118.05912	1.9
131.03514	6.9
133.03012	0.9
160.89246	0.8
161.02464	2.2
161.04639	7.7
161.08209	100.0
162.01988	1.9
162.05586	0.6
162.08578	7.6
168.03085	0.7
183.95821	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90269	0.6
55.01892	0.8
56.78666	0.4
57.03448	8.5
58.02972	25.2
58.98377	0.4
59.01377	18.0
60.01706	0.5
60.99313	0.5
61.01825	0.4
68.05038	1.4
68.99825	0.5
69.03446	2.8
70.02975	5.7
70.89038	1.4
71.01382	24.0
71.05021	10.3
72.04561	2.5
72.99317	2.7
73.02950	8.3
74.02475	35.1
75.00873	1.6
75.02815	0.7
79.95740	0.5
80.05057	1.7
81.03448	2.2
83.01386	3.6
84.02230	0.5
84.04553	28.9
85.02956	12.4
86.02487	1.9
86.06113	4.5
87.00884	10.9
87.04523	3.9
88.04046	100.0
89.02438	2.9
89.04371	2.8
95.01407	0.5
96.04533	0.5
96.96041	1.1
97.02960	1.5
98.02483	12.0
98.03172	0.8
98.06126	12.9
99.00878	4.3
99.02859	0.5
99.04521	20.7
99.06457	0.9
100.04073	1.7
101.02452	8.2
112.04060	4.0
113.02456	3.1
114.05621	7.4
115.04027	7.9
115.05915	0.5
115.07669	2.9
116.03546	7.6
116.07198	2.1
117.05595	11.6
118.05128	11.4
118.05939	1.4
118.07683	0.5
125.02453	0.9
128.03557	0.6
130.05110	27.4
131.03494	5.1
131.05453	1.2
142.05104	5.2
143.03503	1.4
159.89381	6.9
160.06163	52.4
160.89301	6.9
161.02499	1.1
161.04585	9.4
161.06607	2.5
161.08194	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	159.0301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	8.3
57.03448	25.3
58.00589	3.3
58.03774	0.8
59.01373	3.2
59.05019	1.4
64.47470	0.7
69.03442	1.2
69.75044	4.6
69.75435	1.2
71.01387	4.3
72.99314	0.8
73.02951	3.0
74.02490	1.4
81.19112	0.6
83.01393	100.0
83.75822	0.7
84.01735	4.7
85.02960	11.1
87.00917	0.8
87.04527	17.7
88.04050	2.5
88.04868	1.0
96.96049	1.3
99.00879	3.9
101.02433	1.0
109.03032	0.7
111.00901	0.7
117.05579	2.0
121.27143	0.7
124.17330	0.7
127.00391	6.6
129.01949	0.9
159.03011	3.5
159.06607	0.9
160.04160	1.3
160.06195	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	160.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.5
57.03438	1.6
58.00582	0.5
58.02975	0.7
59.01378	9.4
66.03439	0.4
68.05057	3.5
69.03457	5.0
70.02994	1.7
70.33849	2.3
71.01382	6.6
71.05034	0.7
72.99296	0.7
73.02954	4.4
74.02480	28.4
77.69001	0.4
80.05064	13.5
81.03480	0.9
81.05373	0.5
83.01391	1.4
84.04557	3.4
85.02954	6.9
86.02482	5.1
87.00891	1.8
88.04053	9.6
89.02456	1.1
89.06047	0.4
93.07831	0.4
94.03012	0.5
96.04551	5.0
97.02964	0.7
98.02497	1.0
98.06126	4.6
98.19913	0.6
99.00873	1.0
101.02480	1.3
112.04071	0.8
113.02425	0.9
114.05627	1.9
116.03561	0.9
116.07190	1.1
118.05141	0.8
124.04059	2.3
125.02530	1.0
130.05118	1.8
131.03526	1.4
140.03554	0.6
142.05110	9.3
143.05478	0.5
158.04617	2.0
160.06175	100.0
161.04582	3.3
161.06522	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	158.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02026	0.3
55.01879	2.0
57.03445	6.4
58.00588	0.4
58.02969	3.9
59.01376	9.9
69.03455	1.1
70.40789	1.0
70.41184	0.7
71.01369	3.0
71.05024	2.0
73.02950	1.4
83.01389	20.8
84.04561	0.9
85.02963	3.2
86.00765	0.3
86.06120	7.6
87.00875	0.6
87.04516	3.0
87.06468	0.6
95.05032	0.6
96.04560	7.9
97.02954	2.8
97.04890	0.4
97.06621	0.8
99.00893	1.7
99.04537	1.5
101.02464	0.6
111.00919	0.8
112.04051	8.5
112.04774	0.6
112.38125	0.4
113.02489	0.6
113.04418	0.4
113.06115	0.6
114.03918	0.4
114.05627	2.8
114.09247	7.0
114.09986	0.4
115.04021	0.8
116.07186	100.0
117.05597	8.5
117.07518	5.0
127.00400	2.0
129.01892	0.8
141.01978	0.5
156.06639	0.4
158.04625	3.1
158.08237	26.6
158.89273	0.6
159.02997	3.2
159.06642	1.5
159.08667	1.9
159.10281	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83658	0.4
55.01874	1.6
57.03447	4.0
58.02975	3.6
59.01379	12.0
66.03479	0.3
69.03466	0.9
69.64820	2.6
71.01387	2.3
71.05018	2.0
71.47280	0.3
72.00921	0.4
72.99317	0.4
73.02962	1.3
74.53468	0.4
83.01393	11.3
83.01884	0.6
84.04560	0.8
85.02946	2.9
86.06123	7.0
87.00893	0.6
87.04520	1.5
94.03047	0.3
95.05033	0.5
96.04565	9.4
97.02969	2.4
97.04921	0.6
97.06605	0.4
98.06083	0.3
99.00883	1.0
99.04554	1.5
101.02461	0.7
111.00915	0.4
112.04067	8.4
112.07666	0.4
113.02468	0.4
113.04458	0.4
113.06124	0.5
114.05598	2.1
114.09261	5.7
115.04007	0.7
116.07191	100.0
117.05595	11.6
117.07529	5.0
120.19472	0.3
127.00423	0.4
129.01956	0.5
140.07217	0.4
141.01897	0.5
150.29234	0.4
156.06619	0.5
158.04634	3.0
158.08238	24.6
158.89340	1.2
159.02991	2.0
159.06654	1.3
159.08633	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.108
Annotation	Nonane-4,6-dione
Peak:m/z	Relative Intensity
55.01881	4.8
57.03427	0.9
59.01392	3.9
67.01882	1.5
68.99845	0.8
71.01388	2.3
71.73087	1.2
81.03471	0.9
82.65136	0.5
83.01390	6.0
83.05035	1.9
84.00942	1.0
84.04560	1.6
85.02970	1.4
93.03479	2.5
96.16015	0.6
96.95963	0.6
109.02971	0.7
109.67034	0.5
111.00864	3.2
111.04536	2.9
111.08176	2.8
112.00427	0.7
113.02481	0.8
114.05625	12.7
119.09414	0.5
123.00893	0.8
125.04428	0.9
127.00345	2.7
134.19629	0.5
137.02431	0.8
140.01184	4.4
141.33594	0.5
154.99873	4.6
155.02545	1.0
155.03627	1.2
155.10796	100.0
155.86584	0.6
156.06654	9.1
156.11139	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0508
Annotation	(1S,4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate
Peak:m/z	Relative Intensity
50.86745	0.3
59.01383	0.6
60.52460	0.3
69.58008	1.9
69.58414	0.9
85.02981	0.5
85.06605	0.3
85.63823	0.3
99.00875	0.6
106.93764	0.3
112.28043	0.4
113.06099	100.0
114.06423	5.4
115.00397	0.5
115.88440	0.3
126.14945	0.3
127.00377	1.1
156.89427	0.4
157.05074	11.2
157.08730	0.9
157.12335	0.8
158.05367	0.5
158.08199	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	147.0304
Annotation	2-Dehydro-3-deoxy-D-xylonate
Peak:m/z	Relative Intensity
55.01868	7.5
57.03449	20.7
57.59736	1.0
58.00591	7.6
58.03785	1.2
58.70938	1.0
58.99606	76.5
59.01380	100.0
60.01723	3.0
61.98833	1.2
67.01877	3.2
67.91923	0.9
68.99839	5.3
70.85074	3.3
71.01387	97.4
72.01723	3.0
72.99309	15.7
73.02956	2.7
74.02489	3.1
75.00877	34.1
75.02831	3.0
76.01223	1.3
79.95745	3.4
83.01399	8.1
85.02959	53.9
85.04881	2.4
86.03297	2.2
87.00886	15.6
89.02455	11.0
93.32452	1.2
96.96023	2.7
99.00893	34.5
100.01241	1.4
101.02471	8.9
103.05950	2.9
104.03522	2.1
105.01962	7.9
105.03905	1.6
111.00860	6.1
117.01962	3.0
117.03856	1.3
119.05067	1.2
120.04506	1.2
129.01981	10.9
134.01218	1.1
147.02010	3.0
147.03004	16.6
147.04643	4.1
147.06624	2.4
153.43204	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	148.0533
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25115	1.4
52.08677	1.0
59.01378	7.9
71.01387	30.8
72.99316	1.9
73.02952	16.2
83.51301	1.4
87.00885	10.4
89.02453	100.0
91.64503	1.1
93.03475	4.2
93.76608	1.3
95.05029	1.5
97.40312	1.1
100.01250	1.2
101.02448	1.6
102.86710	1.0
103.04034	4.8
105.03483	1.2
119.05045	2.9
121.02969	17.9
131.03523	14.6
134.03767	6.1
147.04539	14.8
148.05322	73.4
149.02696	6.3
149.04581	51.0
149.05736	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	149.0458
Annotation	SCHEMBL14401414
Peak:m/z	Relative Intensity
59.01382	4.8
60.90889	0.4
69.03445	2.2
70.84164	1.2
71.01386	28.4
72.01730	0.9
73.02952	17.1
81.14043	0.3
85.02983	0.5
87.00887	9.8
89.02452	100.0
90.02791	3.0
100.68182	0.5
101.02419	1.0
103.04027	6.0
120.28574	0.5
131.03522	14.4
149.04573	49.4
150.04916	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	153.1287
Annotation	1,8-Cineole
Peak:m/z	Relative Intensity
55.01861	0.9
59.01392	0.7
59.51141	0.5
63.90359	0.6
64.53316	0.5
65.00328	1.2
65.03024	0.7
65.03973	1.2
66.03137	0.9
66.03487	15.1
67.03826	5.3
68.99815	1.8
69.03456	2.6
69.52119	3.5
69.52551	2.8
70.03319	0.6
71.01398	1.1
71.04995	0.7
72.99313	0.9
73.36848	0.5
79.95673	0.6
80.05067	0.9
80.96523	1.6
81.03466	7.0
82.02998	5.0
83.01411	1.8
83.05009	1.2
85.02942	0.7
92.05070	3.3
94.02966	0.7
95.01407	1.1
96.99306	1.1
97.02950	2.0
97.06593	12.6
98.02489	1.3
98.06919	0.7
98.20655	1.3
99.08155	4.2
107.01431	1.1
107.05061	1.4
108.02193	6.8
109.02968	100.0
109.06596	3.8
110.00113	11.3
110.02495	1.8
110.03299	6.5
110.06160	1.3
111.00887	1.1
111.08163	1.0
112.04050	1.9
117.31747	0.6
123.00826	1.0
123.04503	2.0
124.04048	14.7
124.98848	1.1
125.02452	7.6
125.09653	0.9
126.02795	1.1
135.00949	0.6
135.04556	2.3
136.00377	0.7
136.04050	6.4
137.09702	0.9
137.99603	18.3
138.99919	1.1
151.00395	1.9
151.11339	1.2
152.98561	1.1
153.01955	39.8
153.05618	3.5
153.09262	1.4
153.12868	47.2
153.86885	13.0
154.01418	2.4
154.02338	2.2
154.05095	8.4
154.06155	0.9
154.13210	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	144.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03487	0.6
58.02970	2.1
62.91914	0.7
69.03458	4.0
71.01395	0.8
72.00891	3.6
75.81657	0.6
80.05048	0.9
81.03473	1.0
82.57864	0.7
87.00882	0.7
88.04044	1.4
98.06139	4.4
98.66237	0.7
100.98859	0.6
102.05616	1.8
121.18388	0.7
125.02465	8.4
126.05611	1.2
135.14276	0.7
142.05115	16.0
144.06683	100.0
144.96480	3.7
145.07037	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	145.0873
Annotation	2-Hydroxyheptanoic acid
Peak:m/z	Relative Intensity
55.03757	0.8
67.35272	0.7
69.48951	0.9
69.49178	2.3
69.49580	5.3
77.14420	0.7
77.48518	0.7
79.15191	0.8
81.43099	0.8
97.06602	2.1
99.08169	100.0
100.08501	7.6
112.93939	0.7
127.07626	1.0
143.07095	1.1
145.06947	2.9
145.08723	55.0
146.02480	2.5
146.09064	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	145.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36685	0.8
56.09426	0.7
69.58868	6.8
82.85300	0.8
89.65667	0.8
97.06607	2.4
98.19919	2.0
99.08167	100.0
100.08501	5.6
131.02257	0.8
143.07143	1.2
145.08720	63.9
146.02522	2.3
146.09036	4.1
148.69208	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0462
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19675	1.0
57.03443	1.6
58.32642	1.0
59.01383	9.0
71.01385	3.8
71.20258	2.4
74.02478	2.7
75.00896	2.5
75.26957	1.2
83.01377	1.3
85.02966	7.6
89.91423	1.3
93.39879	1.1
99.00909	2.4
102.05621	100.0
103.05355	1.4
103.05971	5.2
128.03560	43.1
129.03931	2.0
146.04620	24.9
147.02924	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	144.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03458	3.3
70.84174	1.4
70.84512	0.7
71.01354	1.2
72.00904	4.2
87.00883	0.8
88.04068	1.5
90.03283	0.5
98.06126	3.8
99.00917	0.6
115.00338	0.6
121.10371	0.6
125.02463	7.2
126.05644	1.7
141.75772	0.6
142.05115	14.9
144.06682	100.0
144.96484	2.4
145.07071	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	144.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81194	0.4
59.01363	0.7
69.03455	2.1
69.85667	2.5
71.01409	0.8
72.00931	3.4
74.06005	0.5
80.05058	0.5
88.04045	1.3
98.06128	4.1
125.02454	6.4
126.05635	1.3
127.53793	0.4
142.05122	13.9
143.05435	1.0
144.06683	100.0
145.07027	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	144.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30211	0.4
55.01894	0.6
69.03454	2.5
69.56292	4.3
69.56628	0.5
71.01389	0.9
72.00556	0.5
72.00896	3.1
72.10743	0.5
76.57758	0.5
80.05052	0.5
81.60501	0.5
83.89225	0.4
87.00848	0.5
88.04057	1.5
98.06138	4.0
99.00887	0.6
102.05611	1.5
115.00379	0.7
125.02476	6.6
126.02760	0.6
126.05623	1.3
142.05121	14.9
143.05379	0.6
144.06679	100.0
145.07042	6.7
153.57907	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.7
57.03449	2.3
59.01372	2.3
69.03455	5.8
71.01373	9.5
71.05027	3.3
71.72478	1.0
72.00928	3.6
73.02928	1.1
75.62243	0.7
80.05090	0.8
81.03459	1.8
83.01408	1.6
83.05025	4.1
84.77007	0.6
85.02960	6.4
87.00893	1.6
87.04504	1.7
88.04041	2.4
97.02949	2.2
97.06605	4.5
98.06123	3.2
99.00906	0.9
99.04541	2.6
99.08167	17.1
100.08507	1.8
103.55749	0.7
113.02456	1.3
125.02477	10.2
125.06085	5.5
126.05598	1.5
142.05113	14.4
143.03482	3.6
143.07166	6.8
143.10805	5.1
144.04688	13.1
144.06680	100.0
164.84772	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0475
Annotation	Adenine
Peak:m/z	Relative Intensity
50.09597	0.2
53.63336	0.3
65.79028	0.3
68.02538	0.4
69.79803	0.5
69.80422	1.6
71.01409	0.4
73.02972	0.3
75.00873	0.4
85.02957	0.5
89.21386	0.3
92.02555	5.7
98.19850	0.3
107.03648	26.2
108.03349	0.4
108.04006	0.9
116.10252	0.3
134.04742	100.0
135.05194	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	135.0302
Annotation	Erythronic acid
Peak:m/z	Relative Intensity
59.01376	14.5
67.97248	1.0
69.64828	1.3
70.61057	3.7
70.61476	2.1
71.01383	11.2
72.99304	14.4
73.01770	1.6
73.02956	6.6
75.00876	100.0
76.01218	2.4
83.78391	1.1
85.02953	2.1
87.00884	79.9
88.01228	2.0
89.02451	8.5
115.00372	1.3
117.00835	7.6
117.01974	3.0
134.91620	3.0
135.03015	65.1
135.04597	4.0
136.03345	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	138.0563
Annotation	5-(Methoxymethyl)-1H-pyrrole-2-carbaldehyde
Peak:m/z	Relative Intensity
55.01872	2.7
58.74008	0.7
66.03482	3.1
67.01903	5.6
68.01413	1.1
68.99820	1.5
72.00373	1.1
78.69966	0.8
82.02961	1.1
83.01389	5.5
85.45506	0.9
91.76759	0.9
92.53013	0.9
93.03479	2.9
94.03001	15.7
94.03811	8.9
94.98090	1.1
95.01416	2.6
95.05032	8.6
96.04581	1.3
108.02197	9.5
110.02500	2.7
111.00900	20.3
120.04595	1.4
123.03286	70.5
124.01692	2.7
124.03624	4.5
136.00459	1.8
138.01967	26.1
138.02850	4.5
138.05632	100.0
139.00401	14.9
139.02356	1.5
139.04109	5.1
139.05067	1.2
139.06003	8.2
139.07649	1.2
142.56726	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0716
Annotation	2-Ethyl-2-Hydroxybutyric acid
Peak:m/z	Relative Intensity
55.27451	0.9
59.89058	0.7
62.55069	0.8
65.96359	0.8
69.03445	2.1
69.84895	3.9
69.85307	1.9
71.01376	2.1
73.02951	5.4
80.64032	0.9
85.06595	100.0
86.06915	4.8
98.20586	1.6
101.53678	0.8
113.06117	1.5
129.05624	2.1
131.07156	63.4
132.07500	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	131.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25641	0.6
56.25983	0.7
69.03442	6.1
69.39256	0.7
70.12335	0.7
70.35947	0.6
71.01375	2.1
71.18758	1.8
73.02950	7.3
84.93000	0.7
85.06595	100.0
86.06936	4.5
95.60806	0.7
108.11424	0.7
113.06105	2.5
120.48523	0.7
125.86479	0.7
128.64577	1.0
129.05521	1.7
131.07153	54.4
132.07504	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	131.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17096	0.8
50.19227	0.7
50.40403	0.8
57.03450	1.0
59.01371	1.6
65.10582	0.8
69.03459	6.5
69.86099	0.9
71.01385	7.8
73.02950	19.2
85.02944	1.8
85.06596	100.0
86.06908	5.6
87.04555	0.9
93.22091	0.9
113.06107	1.6
123.33948	0.9
129.05594	1.6
131.03532	1.6
131.07161	57.1
132.07512	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	133.0146
Annotation	D-(+)-Malic acid
Peak:m/z	Relative Intensity
55.73378	0.7
57.03441	1.3
59.01378	3.8
69.58372	6.6
69.58763	1.3
71.01387	92.7
72.01731	1.8
72.99310	17.6
87.00887	15.9
87.04527	2.3
89.02452	14.1
107.03642	1.0
115.00389	100.0
116.00713	4.7
133.00446	1.3
133.01454	26.1
133.05093	22.6
133.97905	0.9
134.01781	1.7
134.04695	4.8
140.87286	0.9
145.24750	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0508
Annotation	1-Deoxy-D-xylulose
Peak:m/z	Relative Intensity
54.32065	1.0
56.44584	0.9
57.03447	20.7
59.01371	5.3
69.77312	1.7
69.77720	5.9
71.01382	84.9
72.01730	1.7
72.99310	10.7
73.02949	1.7
75.00878	1.4
85.02953	3.3
87.00883	26.2
87.04523	8.2
89.02452	13.8
92.02552	3.9
98.20657	1.9
105.03509	1.3
107.03648	22.8
115.00385	59.3
115.04029	1.8
116.00717	2.4
133.01443	18.2
133.02974	2.3
133.05077	54.6
134.02556	2.4
134.04727	100.0
151.57024	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	128.072
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48843	0.6
63.04205	0.6
67.01889	0.7
69.84109	2.5
69.84542	2.3
115.79438	0.5
128.07193	100.0
129.07527	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	128.072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71653	0.4
70.04595	2.3
85.02950	1.5
93.67004	0.4
98.20057	0.6
128.03558	3.0
128.07191	100.0
129.01949	0.6
129.07539	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	131.0352
Annotation	(S)-4,5-Dihydroxypentane-2,3-dione
Peak:m/z	Relative Intensity
59.01375	7.4
65.73747	0.7
70.88869	0.8
71.01385	37.8
71.70896	1.3
72.01701	1.3
72.02134	0.9
73.02950	100.0
74.03284	3.3
85.02952	1.1
85.06605	1.6
87.00909	1.8
87.04521	0.9
93.59702	0.8
95.87349	0.7
103.04030	2.4
125.09549	0.7
131.03499	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	128.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90783	0.5
67.01878	0.7
83.26702	0.4
83.28645	0.4
85.02969	0.6
128.03563	5.3
128.07196	100.0
129.07556	7.1
141.23111	0.4
143.91873	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.5
64.22235	0.3
70.61417	1.1
71.05019	0.5
73.02951	100.0
74.03285	3.4
84.51221	0.3
91.91612	0.4
99.00886	9.0
99.92608	3.2
100.92602	0.4
116.92879	9.8
116.97747	0.3
117.01959	17.6
117.05595	0.6
117.74187	0.3
117.92885	1.0
118.02296	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1179.6009
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01405	0.2
85.02956	1.0
87.00880	1.2
93.44411	0.1
93.97291	0.2
94.98096	8.5
95.01379	0.3
96.96019	0.6
97.02969	0.9
99.00888	0.3
101.02452	1.8
106.98103	1.5
111.61697	0.1
113.02450	0.2
122.97596	3.0
125.02464	1.9
127.03999	0.5
134.97600	2.4
136.99152	0.8
143.03549	0.2
146.97572	0.2
148.99159	3.6
152.98647	4.3
164.98643	7.2
167.00221	0.3
179.00204	0.1
182.99693	1.7
188.98653	0.3
206.97827	0.2
206.99686	2.3
225.00739	15.3
226.01018	0.3
243.01772	1.5
277.21732	2.0
291.18073	0.1
299.04413	3.0
300.04840	0.1
317.05539	0.2
320.09799	0.1
353.56714	0.1
577.26880	100.0
578.27216	10.8
579.27246	0.2
926.16626	0.1
967.76312	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	121.0298
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
51.30018	0.2
66.03488	0.3
66.92233	0.2
67.45512	0.2
69.96294	1.2
76.16674	0.2
91.01910	0.6
93.03452	1.5
94.03002	2.1
95.01398	0.4
108.02185	2.0
120.50549	0.2
121.02969	100.0
122.02479	2.3
122.03309	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	128.0356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.2
67.01896	2.7
71.40391	1.5
82.02989	3.0
90.36614	0.7
92.86085	0.6
104.79817	0.6
128.03558	100.0
128.07195	67.6
129.01913	1.0
129.03923	5.7
129.07542	4.9
133.52570	0.7
136.87764	0.6
149.31700	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	128.0719
Annotation	DL-Pipecolinic acid
Peak:m/z	Relative Intensity
57.03436	0.3
67.01895	0.4
68.60538	0.2
69.88872	1.2
69.89283	0.6
80.05058	0.4
85.02962	0.3
86.43333	0.2
102.38897	0.2
128.03561	14.8
128.07190	100.0
129.03914	0.6
129.05614	0.3
129.06650	0.4
129.07539	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0196
Annotation	Succinic acid
Peak:m/z	Relative Intensity
51.69164	0.3
55.01868	0.3
71.39967	0.6
73.02950	100.0
74.03284	3.1
74.44153	0.3
75.12712	0.3
86.32053	0.3
99.00890	9.2
106.05107	0.3
116.92883	1.0
117.01954	18.5
118.02284	0.6
134.88275	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1147.5467
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01393	4.0
84.52827	2.5
85.02956	6.0
87.00871	3.8
89.02475	5.8
89.86575	4.0
96.95997	2.9
100.04036	4.1
101.02456	12.6
113.02501	6.6
131.03503	8.1
139.11287	7.4
147.04543	12.4
183.10266	27.1
269.11813	3.2
347.68869	3.5
471.34698	5.2
657.06329	3.2
890.50763	3.8
911.92554	8.0
912.92749	4.3
994.97437	6.0
1003.97772	7.1
1022.55017	10.9
1024.06384	3.5
1040.55078	3.8
1084.55334	100.0
1085.56104	24.3
1087.55225	10.4
1147.54321	20.6
1148.56543	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	114.0562
Annotation	Proline
Peak:m/z	Relative Intensity
52.93768	0.3
59.01377	1.4
66.03464	2.2
70.56483	0.9
71.01392	4.7
71.05039	0.6
86.02493	1.4
112.04076	0.8
114.05621	100.0
115.00373	0.6
115.05973	4.5
126.47785	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1143.3967
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95727	0.4
80.05029	0.2
82.02970	0.4
85.02940	0.4
89.87231	0.3
94.02435	0.3
94.02993	6.6
94.06604	0.3
95.05025	0.4
95.95185	0.2
96.04555	0.2
96.96016	1.5
106.06635	0.6
107.04986	0.2
108.04574	1.4
108.14622	0.2
110.06145	1.7
120.04483	0.4
120.08145	0.5
121.02949	0.4
121.05328	0.5
122.02457	0.3
122.05333	0.4
122.06141	4.0
124.04067	1.7
129.40694	0.3
130.06595	0.6
134.06088	0.8
136.04082	1.6
136.07642	0.5
137.04803	0.3
138.05624	3.8
144.04506	0.5
146.06110	0.6
147.03136	0.3
147.05606	0.7
150.05597	2.1
151.00333	1.0
158.06012	0.2
160.04050	0.6
161.03619	0.4
161.04849	0.7
162.05548	0.9
168.06647	0.7
172.11357	0.5
173.04825	0.3
174.05632	2.1
175.05045	0.7
175.96085	0.3
178.99864	0.6
180.06654	0.8
186.05582	0.4
186.12849	0.4
187.06380	0.4
187.08676	0.5
188.03458	0.4
188.07123	1.0
193.03755	0.5
199.08646	0.3
201.10313	4.2
202.12457	0.3
203.05850	1.3
203.11859	0.6
211.08832	0.3
212.10960	0.3
213.10327	3.1
215.08195	0.3
215.11887	1.8
223.08771	0.6
224.09518	0.5
225.10115	0.4
227.11838	2.2
229.09821	5.4
229.13306	2.2
233.12955	0.3
235.08791	0.3
236.09451	0.4
237.10336	1.5
238.10919	0.4
239.08191	0.5
239.11882	6.4
240.12360	0.6
241.09767	1.2
241.13446	0.3
243.02875	0.9
245.12813	0.4
247.10855	0.6
249.10298	0.8
251.08096	1.2
251.11934	1.7
252.12625	0.4
253.09630	0.6
255.03009	2.1
255.11375	2.3
257.12988	2.6
259.10822	1.7
261.10031	0.3
263.08255	1.3
263.11694	1.3
264.09055	4.2
264.11847	0.5
265.09744	2.7
266.10535	0.7
267.11340	2.7
271.02466	4.5
271.10825	0.6
272.11679	0.4
273.10309	0.2
273.12485	2.4
275.08154	0.4
276.08896	0.9
277.09738	1.5
278.06946	0.8
278.10495	1.1
279.07776	1.0
279.11349	6.5
280.09012	0.3
280.11996	1.6
281.09302	1.1
281.12872	1.6
283.10812	2.4
285.12396	0.5
287.10104	0.3
289.12384	1.2
290.10501	0.5
291.07684	1.7
291.11288	4.3
292.08585	6.4
292.11826	0.9
293.09247	2.5
293.12631	0.5
294.09897	0.5
295.10986	0.6
297.12415	0.3
299.01886	0.4
299.99313	0.5
300.02744	6.8
301.03568	5.0
301.11929	9.7
302.03928	0.4
302.12253	0.5
305.09274	0.7
305.53229	0.3
306.10120	2.7
307.10889	15.7
308.11609	3.3
309.12503	1.6
311.10434	1.3
312.10953	0.4
313.12000	0.7
315.14902	0.4
316.14578	0.3
319.12997	30.7
320.13434	2.1
321.12427	0.7
323.10306	0.5
323.13834	0.5
324.10941	0.4
325.12024	1.5
327.13464	2.7
328.10773	0.4
328.14423	0.6
329.11914	0.4
330.12473	0.8
332.14044	0.4
333.08838	0.5
335.10312	1.3
340.10858	1.3
340.14337	0.5
342.12445	0.4
342.16345	0.4
343.12860	1.3
344.14050	1.1
345.15018	0.5
346.11804	0.4
346.15613	0.9
347.16135	0.3
350.09131	6.1
350.13596	0.5
351.09836	17.4
352.10342	2.5
353.11560	0.4
354.12369	0.4
356.10306	0.6
357.11172	0.5
357.15036	0.4
358.11835	0.6
358.15634	1.0
359.12506	0.5
360.13373	0.6
360.17276	0.5
361.17734	0.4
365.11520	2.7
366.11774	0.6
367.12985	0.5
368.14026	0.5
370.15582	0.9
371.13016	0.6
372.13348	1.7
372.17114	0.5
373.14395	0.4
374.14929	0.9
375.15894	0.4
376.16516	0.6
377.13657	0.6
378.18210	0.8
379.18893	0.8
383.12534	1.4
384.13235	0.7
384.17276	0.9
385.14252	0.3
386.15131	3.7
387.15848	1.8
388.16727	2.2
389.17358	0.4
390.14511	0.6
391.15234	0.4
396.13428	0.4
397.13895	0.4
400.12314	0.4
400.17172	1.2
402.14026	0.6
402.18393	0.9
403.14703	0.5
403.19247	0.4
404.16214	5.1
405.17007	1.5
406.17673	1.0
411.16040	0.3
412.16559	0.8
414.14520	2.3
415.15186	0.3
416.16165	0.8
417.16699	0.6
418.13599	1.5
419.13867	1.4
421.16696	0.3
428.16315	1.8
429.16870	2.1
430.17697	2.4
431.14703	0.5
432.15320	2.9
433.16138	0.8
434.16464	0.5
437.15784	2.8
444.19141	0.9
446.17322	3.6
447.09210	7.4
447.17874	4.4
448.09662	0.7
448.18835	1.9
450.16684	1.1
451.17404	0.7
461.15887	1.2
462.16071	0.5
462.21075	0.5
465.18747	0.3
467.21271	0.5
473.15784	1.0
474.16632	2.9
480.21381	0.7
485.21677	0.4
488.18472	0.4
491.16965	3.8
492.17697	6.6
493.17819	0.6
497.21829	0.4
506.19281	4.3
507.19476	0.5
509.21872	1.1
510.21985	0.3
515.22705	0.8
519.26056	0.8
520.20654	0.5
523.19629	1.1
524.19562	0.3
527.23053	3.4
528.23248	0.5
538.21912	20.5
539.22186	2.2
541.23633	0.3
545.24054	2.5
551.22693	0.9
557.23993	0.4
559.25555	0.4
569.24036	2.8
570.23248	0.3
571.21625	1.3
572.21631	0.3
585.23822	0.4
587.25116	7.4
588.25464	0.8
590.24219	0.4
595.22076	0.4
601.26703	0.3
603.24738	4.7
604.24597	0.6
609.18542	0.4
613.23077	2.3
619.27917	1.7
631.24219	16.5
632.24622	2.2
633.25629	0.4
635.27368	8.6
636.27698	1.8
645.25745	5.7
646.25922	0.9
651.19452	0.5
663.26788	79.3
664.27155	12.9
664.38470	0.5
677.28644	4.6
678.28583	0.4
695.29529	100.0
696.29877	17.8
1143.33081	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1137.7301
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95733	0.7
81.03466	3.2
83.01392	4.0
83.05030	6.9
85.02954	2.2
87.00865	0.3
89.02456	1.4
95.01391	0.6
96.96019	7.6
97.02969	0.3
98.95627	0.7
99.00877	0.1
101.02453	11.4
108.04566	0.3
112.66560	0.1
113.02456	5.1
114.02735	0.2
119.03500	1.5
120.01270	1.1
125.02455	0.5
125.07203	0.5
126.05591	0.2
131.03500	1.4
138.97052	0.2
143.03517	1.8
149.04564	3.3
155.03505	0.5
160.04036	0.2
161.04572	4.4
169.56175	0.1
179.05553	0.2
188.34000	0.2
191.02034	0.2
203.03886	0.1
203.05612	0.7
207.15060	0.8
221.06647	2.2
224.17641	1.2
225.16078	9.4
226.16389	0.4
227.03526	0.5
241.00272	0.3
242.18712	0.3
253.93274	0.2
255.02979	0.4
256.03503	0.2
284.03131	0.7
285.03796	0.7
309.21854	0.6
324.26648	0.4
333.23245	0.3
334.21225	0.1
341.29309	0.7
351.24014	0.2
357.12115	0.3
367.27112	1.1
385.27997	0.4
415.23361	1.2
417.08215	0.6
418.08566	0.2
433.31851	1.1
439.10556	1.2
440.10983	0.4
441.10492	0.2
442.16647	0.1
447.09079	0.2
449.14603	0.2
450.34381	0.9
451.16418	0.4
451.32925	7.3
452.33212	0.7
453.17944	2.0
454.18396	0.4
455.18411	0.3
456.18719	0.2
459.19012	0.5
468.34982	0.1
550.43237	1.0
551.43512	0.2
559.39514	0.4
565.44800	0.4
567.46173	0.2
593.43823	0.6
659.48682	2.5
660.49091	0.5
677.49890	100.0
678.50220	15.7
678.62292	0.2
679.50824	0.8
1137.35010	1.2
1138.35156	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0611
Annotation	2-Hydroxycyclohexan-1-one
Peak:m/z	Relative Intensity
53.17503	1.3
54.52213	1.0
55.01872	2.5
57.03442	9.7
57.47128	1.1
59.46655	1.1
62.64057	1.1
66.03487	2.6
68.99572	31.4
69.03457	4.3
70.91885	1.9
70.92244	3.5
71.01399	2.1
83.01382	1.3
84.02184	3.5
85.02961	28.8
86.02470	1.3
86.43787	1.2
113.02472	13.6
113.06105	65.3
114.05624	100.0
114.06361	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	1131.6858
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95743	3.0
80.96522	0.9
81.95324	0.1
83.01390	0.1
85.02944	0.3
87.00895	0.1
89.02446	0.1
94.98124	0.1
95.01427	0.1
95.95245	1.4
96.96021	38.8
97.02930	0.1
97.94830	0.1
97.95946	0.2
98.95602	0.6
98.96388	0.1
99.00916	0.1
101.02444	0.3
101.14762	0.0
106.21596	0.0
113.02487	0.2
114.02003	0.0
119.05076	0.0
121.03030	0.0
122.97599	0.5
125.02439	0.1
137.02420	0.0
138.97093	1.3
140.96646	0.1
141.95804	0.1
143.02518	0.0
143.03535	0.1
147.53162	0.0
150.97093	0.8
151.97859	0.1
152.01163	0.0
152.98622	0.1
164.98688	0.3
168.98134	0.1
177.04007	0.2
180.98140	0.5
181.74962	0.0
183.30414	0.0
184.79735	0.0
191.02068	0.1
194.99899	0.0
198.99193	0.5
199.99428	0.0
208.02022	0.0
209.03094	0.0
213.00728	0.0
221.49928	0.0
222.99165	0.1
225.00806	0.2
241.00230	2.5
242.00497	0.1
256.99686	0.3
259.01266	0.1
299.04459	0.2
300.02890	0.0
417.08069	0.1
419.13715	0.1
421.15366	1.6
422.15533	0.1
435.10632	0.1
435.17004	0.2
437.09467	0.1
437.14966	0.1
439.10660	0.4
440.10928	0.1
451.16464	4.3
452.16757	3.7
452.23331	0.1
453.17947	100.0
454.18271	8.4
455.17493	0.0
713.47821	0.1
863.67175	0.0
1131.37610	0.1
1132.35059	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	113.0611
Annotation	2-Hydroxycyclohexan-1-one
Peak:m/z	Relative Intensity
51.41319	2.4
52.54680	2.1
52.75435	2.5
55.01891	3.4
57.03456	12.7
58.83847	2.2
62.26667	2.3
65.62695	2.2
68.99563	10.0
69.03471	4.8
69.95887	11.2
69.96308	4.6
84.02180	6.5
85.02956	31.5
113.02468	10.2
113.06109	48.4
114.05622	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.061
Annotation	2-Hydroxycyclohexan-1-one
Peak:m/z	Relative Intensity
54.50156	1.5
55.01867	2.2
57.03448	13.9
66.03492	3.6
68.47140	1.7
68.99569	10.9
69.03445	5.5
69.75893	9.3
69.76321	3.8
71.01350	1.8
72.99305	2.1
78.85223	1.6
83.01411	2.1
84.02160	3.4
85.02959	33.5
86.03305	1.7
113.02466	15.2
113.06099	63.0
114.01966	1.9
114.05625	100.0
114.06378	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	1123.4937
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95909	61.6
96.96967	4.4
98.19859	0.5
150.97997	0.9
151.21910	0.4
152.99608	64.4
153.99898	0.8
171.00665	19.0
174.79460	0.4
189.01257	0.4
208.66043	0.4
227.03267	3.8
245.04308	75.0
246.04601	1.3
248.13979	0.4
253.21709	36.1
254.22052	2.2
281.25046	0.6
478.29382	1.3
479.29797	1.0
480.29977	0.6
481.25708	100.0
482.26044	9.1
585.62225	0.4
601.20605	0.5
795.23547	0.8
1123.49292	23.9
1124.26062	0.7
1124.49622	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.061
Annotation	2,3-HEXANEDIONE
Peak:m/z	Relative Intensity
53.16488	0.8
53.78578	0.9
55.01878	2.8
57.03444	12.4
66.03487	2.4
68.99580	8.7
69.03465	4.4
69.54044	2.7
69.54479	4.7
71.01382	1.9
72.00922	0.9
75.88613	0.8
83.01425	1.4
84.02186	3.3
85.02961	28.6
86.02488	1.9
95.01385	0.9
98.19967	1.9
102.23494	0.7
107.50968	0.8
113.02458	10.2
113.06100	20.2
114.02061	1.3
114.05624	100.0
133.52486	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1117.6139
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95742	9.0
80.96532	0.1
85.02959	0.1
95.95294	0.2
96.96020	100.0
97.95956	0.3
97.96442	0.0
98.20250	0.2
98.95602	0.2
101.02477	0.1
108.02172	0.1
110.97594	0.6
114.49973	0.0
121.02964	0.2
122.97600	0.0
123.04596	0.1
132.09871	0.0
135.04535	0.1
136.01656	0.1
137.02452	0.6
147.04559	0.1
150.03296	0.1
151.04042	0.3
159.04521	0.1
160.03993	0.1
161.96960	0.0
165.05548	0.1
177.04070	0.1
177.05548	0.1
179.07050	0.0
180.07939	0.1
192.07959	0.1
195.06595	0.1
216.98036	0.1
223.09766	0.1
230.99698	0.2
240.04311	0.1
241.00311	0.1
245.01221	0.2
253.08727	0.1
256.99634	0.1
269.08176	1.9
270.08615	0.1
271.09753	0.1
281.08215	0.2
283.09772	0.1
299.09259	1.2
300.02881	0.1
300.09860	0.3
311.09293	0.1
313.10580	0.1
314.11584	1.8
315.12131	0.3
326.11658	0.0
329.13998	0.4
345.04465	0.1
359.14972	0.2
361.29477	0.0
405.08722	0.1
405.68036	0.1
409.09528	0.1
421.09610	0.0
424.08408	0.4
437.09128	0.1
438.09433	0.1
439.10669	68.6
440.10995	5.4
447.09048	0.1
449.15060	0.1
451.16257	0.3
452.16940	0.1
453.18033	0.2
479.18765	0.1
495.19333	0.1
808.22742	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	1117.5619
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01390	1.1
85.02966	3.0
85.29594	0.2
86.00169	0.2
87.00887	1.5
89.02456	4.4
95.01379	0.5
97.02972	1.1
99.00880	0.8
101.02451	5.9
111.00869	0.5
113.02473	3.3
119.03523	0.7
119.05039	0.5
125.02473	2.2
131.03540	1.7
143.03543	0.4
147.04538	30.8
148.04869	0.9
149.04532	0.6
159.02989	0.4
161.04599	1.3
181.08643	0.3
221.06673	0.4
233.06680	0.3
239.24565	0.3
268.49634	0.2
271.02496	0.2
346.28668	0.3
453.33713	0.5
511.13879	0.3
601.39203	1.1
615.39447	0.3
877.47620	0.4
895.48779	5.3
896.49329	1.0
1013.55511	0.7
1057.53967	100.0
1058.54248	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1117.457
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95744	3.5
80.96526	0.9
81.95334	0.0
83.01417	0.1
83.36587	0.0
85.02953	0.4
87.00878	0.1
89.02471	0.1
94.98116	0.1
95.95245	2.3
96.96022	41.6
97.02930	0.1
97.95921	0.2
98.95625	0.2
99.00903	0.1
101.02455	0.5
109.02922	0.0
122.97601	0.6
129.01927	0.0
134.03775	0.1
138.97092	1.1
141.95850	0.1
143.03572	0.0
150.97093	1.1
151.00331	0.1
151.97818	0.2
152.98685	0.2
164.98682	0.3
165.12914	0.1
168.98129	0.2
177.04057	0.6
180.98131	0.6
191.02077	0.1
194.99715	0.1
197.01114	0.0
198.99216	0.5
204.98239	0.0
213.00734	0.1
222.99124	0.3
225.00751	0.4
232.30208	0.0
241.00235	3.0
241.14421	0.1
242.00531	0.1
256.99734	0.8
259.01306	0.1
271.02557	0.0
285.03091	0.0
299.01117	0.0
299.04428	0.7
300.02530	0.0
301.03476	0.1
419.13409	0.1
436.13928	0.1
447.09116	0.1
449.14871	1.0
449.24197	0.0
450.15161	0.8
451.16412	100.0
452.16733	8.8
453.17197	0.4
454.17776	0.0
469.17401	0.3
470.17603	0.1
666.28937	0.1
667.28302	0.1
1117.36218	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	1114.5623
Annotation	Unknow
Peak:m/z	Relative Intensity
82.02981	1.6
83.01392	7.1
84.04559	0.7
85.02966	6.1
86.00095	1.0
86.02488	0.3
87.00882	2.7
88.40499	0.3
89.02453	10.7
94.02993	0.8
95.01392	0.8
96.96041	0.5
97.02969	1.1
98.02483	0.8
99.00901	2.7
99.03279	0.4
100.04057	16.7
101.02458	7.7
110.02491	1.9
111.00880	2.2
111.04539	0.3
112.04070	3.9
113.02454	4.9
115.04025	0.8
117.03474	5.9
119.03600	0.5
119.05039	12.5
120.05367	0.4
121.02985	2.2
121.06523	0.3
124.04060	2.5
125.02451	0.9
127.04030	0.4
128.03578	0.6
131.03523	9.7
133.02965	1.1
133.06551	0.8
139.11301	1.3
140.03558	2.4
142.05115	1.6
143.03514	1.2
147.04532	4.3
149.04573	1.9
152.03609	0.4
154.05110	1.0
166.05133	0.6
167.16109	0.4
170.04494	0.4
177.05577	19.0
178.05983	0.4
181.08722	2.7
182.04616	0.4
182.09027	0.5
183.10249	2.9
184.06140	1.2
191.05620	3.6
202.07243	4.7
205.07066	0.4
233.06694	1.0
334.11432	1.3
590.83386	0.3
742.45959	1.2
760.47424	0.7
770.46558	0.6
788.47626	0.7
874.49860	1.1
875.49554	0.5
892.51440	0.4
895.41742	0.5
902.50946	1.0
920.51862	12.3
921.52472	2.7
938.54095	0.7
982.52307	0.9
984.42242	0.4
1052.56165	19.6
1053.56482	4.8
1070.57275	1.3
1114.56250	100.0
1115.56396	28.8
1115.81787	0.8
1116.56274	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1096.6045
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95907	1.0
78.98595	2.7
79.57131	0.2
79.57884	0.1
79.95348	0.1
79.95737	5.3
80.96522	30.9
81.03476	0.3
83.01366	0.1
85.02958	1.4
87.00877	1.3
94.48232	0.1
94.98092	9.0
95.01410	0.3
96.95998	0.6
97.02961	0.9
99.00869	0.3
101.02454	1.5
101.96999	0.1
106.98101	1.3
113.02453	0.4
122.97600	3.3
125.02457	1.9
127.04041	0.6
134.97591	2.5
136.99150	0.7
143.03461	0.1
146.97601	0.2
148.99159	3.4
152.98634	4.3
152.99615	0.2
155.00198	0.1
164.98637	7.1
167.00258	0.3
168.04301	0.3
182.75102	0.1
182.99718	1.3
188.98666	0.2
206.99687	2.0
225.00735	14.6
226.01025	0.3
231.25766	0.1
240.65309	0.1
242.07950	0.2
243.01747	1.6
277.21686	1.7
278.22250	0.1
279.23279	12.5
299.01050	0.1
299.04419	2.7
300.04620	0.1
317.05524	0.2
348.51944	0.1
390.94000	0.1
476.27936	0.2
504.30914	10.3
519.27850	0.1
577.26880	100.0
578.27161	12.2
647.32782	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	1098.5677
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03454	1.0
82.02988	1.8
83.01396	6.1
83.05028	0.5
84.04585	0.4
85.02971	5.3
87.00883	2.7
89.01577	0.4
89.02453	5.4
94.02998	0.8
95.01408	0.5
97.02960	1.7
98.02468	0.6
99.00910	2.4
99.04523	1.2
100.04057	19.4
101.02463	6.6
103.04025	0.7
109.02943	0.8
110.02481	2.7
111.00806	0.5
112.04053	4.5
113.02437	1.1
119.03532	0.6
119.05014	0.6
124.04054	1.8
125.02435	2.2
127.04007	2.6
131.03510	3.8
140.03592	2.5
142.05080	1.4
143.03493	0.9
145.05118	2.1
147.04536	22.9
148.04825	0.8
154.05124	0.8
166.05090	0.9
183.10246	0.5
184.06110	1.1
187.54263	0.4
189.24188	0.4
191.05598	1.7
200.05647	0.6
202.07243	4.3
204.73746	0.5
205.07198	1.3
243.99593	0.4
247.08037	0.5
281.50821	0.4
346.90680	0.5
348.13025	1.5
362.99316	0.4
428.31656	0.4
618.73724	0.4
619.75842	0.4
740.45807	0.7
756.47168	1.5
757.47845	0.6
758.45508	0.4
774.48138	0.4
819.05328	0.4
871.49121	0.5
886.52008	1.1
887.53674	0.4
888.51355	1.5
904.52509	15.5
905.52771	3.9
922.54279	0.4
950.50677	0.5
966.53296	0.9
1036.56604	15.9
1037.57300	4.6
1054.57764	0.8
1098.56714	100.0
1099.56970	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1095.376
Annotation	Unknow
Peak:m/z	Relative Intensity
80.05072	0.2
85.02939	0.3
92.05099	0.3
93.03504	0.2
94.02990	1.4
94.06647	0.5
96.04564	0.3
96.96013	1.3
99.00919	0.2
106.06636	0.4
107.05056	0.3
108.04589	1.1
110.06142	1.4
113.02489	0.2
119.95646	0.2
120.04608	0.3
120.08203	0.8
121.05342	0.5
122.05304	0.3
122.06133	4.4
124.04054	2.2
130.06641	0.5
132.04611	0.2
136.04073	2.0
137.04845	0.8
138.05618	2.2
144.04597	0.7
146.06207	0.2
147.05664	1.1
150.05635	2.6
160.03961	0.3
161.03546	0.4
161.04826	1.1
162.04433	0.2
162.05634	0.7
163.06322	0.2
168.06699	0.7
174.05620	1.7
175.05122	1.0
184.11290	0.2
186.05721	0.2
186.12906	0.3
187.06395	0.2
192.06758	0.3
193.03772	0.5
198.07904	0.2
199.08800	0.5
200.09584	0.3
201.10339	6.7
202.10629	0.4
202.12329	0.3
203.05852	1.2
203.11919	0.6
211.08748	0.7
213.10335	3.6
214.07401	0.2
214.10881	0.3
215.08270	0.3
215.11795	1.3
217.09811	0.3
223.08804	0.4
224.09450	0.2
225.10301	0.3
227.03543	0.2
227.08299	0.3
227.11890	1.7
228.12254	0.2
229.09811	8.5
229.13347	3.4
230.10085	0.4
230.13739	0.2
235.08630	0.2
236.09483	0.5
237.10306	0.6
238.11024	0.2
239.11920	3.8
240.12354	0.2
241.09790	1.0
242.10631	0.2
243.11339	0.4
245.12938	0.8
247.08728	0.2
247.10915	1.3
249.10336	0.2
253.09808	0.3
255.02901	0.3
255.11404	2.4
257.12961	2.7
258.13290	0.2
259.10931	0.4
263.08350	0.2
263.11734	0.3
265.09763	0.5
267.11411	1.1
271.10828	1.0
272.11212	0.2
273.09348	0.2
273.12448	2.5
275.14066	0.4
277.09924	0.3
279.11490	0.6
281.09314	0.6
281.12766	0.2
283.10880	2.3
284.03278	0.3
285.04092	0.4
285.12408	0.4
287.10477	0.3
289.11899	2.3
291.11380	0.6
293.12814	0.2
295.10629	0.3
297.12390	0.3
301.11932	10.3
302.12299	0.7
309.12347	1.0
311.10428	0.3
313.12103	0.2
316.11032	0.2
316.14603	0.3
317.11661	0.5
319.12985	42.5
320.13345	2.7
325.11865	0.6
327.13406	2.9
328.10861	0.4
328.14258	0.2
329.11615	0.7
330.12491	0.6
331.13028	0.3
332.13983	0.3
335.10349	0.3
340.14401	0.3
342.12512	0.6
343.13031	1.5
344.10406	0.3
344.14053	0.9
345.15778	0.4
346.11795	0.5
346.15652	0.9
354.12274	0.4
356.13943	0.5
357.14975	0.4
358.11694	0.3
358.15643	0.8
359.12781	0.6
360.13538	0.4
360.17087	0.4
363.15674	0.3
368.13586	0.3
370.11624	0.3
370.16040	0.8
371.12857	0.4
372.13422	1.5
372.17133	0.4
373.14529	0.3
374.15073	0.5
376.16623	0.7
377.13763	0.5
378.18088	0.7
379.19019	0.7
384.13092	0.3
384.17236	0.7
385.14230	0.5
386.15149	3.1
387.15955	1.0
388.16742	1.8
390.14661	0.7
391.15460	0.4
392.16241	0.2
396.13385	0.3
400.12628	0.5
400.17331	1.0
401.17789	0.4
402.18442	0.4
403.14963	0.8
403.19623	0.3
404.16177	6.8
405.16876	2.2
406.17627	1.4
412.16943	0.3
414.14471	1.4
415.15179	0.3
416.16479	1.0
417.17017	0.4
418.13647	1.2
419.14050	0.9
423.14792	0.3
428.15997	1.2
429.16882	1.6
430.16867	0.3
431.09576	0.6
431.15530	0.6
432.15573	2.5
433.15939	0.6
437.15860	3.6
438.16458	0.3
446.17123	2.9
447.17880	2.4
450.16815	1.3
451.17163	0.3
461.15814	0.3
462.16629	0.5
491.17355	0.3
497.21753	0.4
509.21777	0.7
513.21191	0.3
515.22864	1.1
519.26050	0.6
526.21729	0.2
527.22961	4.1
528.23340	0.7
539.22821	0.2
541.24542	0.2
544.22888	0.3
545.23969	3.2
546.24939	0.4
551.23151	0.9
557.24237	0.6
569.24042	2.6
570.24536	0.2
571.21576	0.2
572.23108	0.2
573.15527	0.2
587.25079	12.9
588.25403	1.6
590.23621	0.7
595.21820	0.6
601.23108	0.4
613.23114	2.8
619.27313	0.4
631.24188	39.0
632.24469	5.5
633.25580	0.5
645.25714	3.5
646.25781	0.6
663.26758	100.0
664.27100	15.2
837.89441	0.2
1095.37292	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1093.6511
Annotation	Unknow
Peak:m/z	Relative Intensity
77.47791	0.2
78.95911	6.5
79.06436	0.2
83.05039	0.4
91.26135	0.2
95.61917	0.2
133.29407	0.2
152.99597	1.9
168.04366	1.7
205.19717	0.2
209.11874	0.2
224.06946	1.0
233.22739	0.5
242.07988	2.8
259.20667	0.5
275.20023	0.3
277.21713	100.0
278.18985	0.2
278.22061	7.7
502.29364	97.5
502.98868	0.2
503.29709	9.8
517.25842	0.9
576.33105	4.3
577.33691	0.7
1093.52917	0.7
1094.51782	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1063.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95744	2.5
80.96528	0.8
81.56355	0.0
85.02962	0.2
87.00864	0.1
89.02450	0.3
89.21929	0.1
94.98101	0.1
95.95244	1.2
96.96021	37.6
97.95943	0.1
98.95609	0.2
101.02460	0.4
113.02497	0.3
119.03520	0.1
119.04987	0.1
122.97625	0.5
138.97093	1.3
141.02209	0.0
147.41754	0.0
150.97069	0.8
151.97821	0.1
152.98656	0.2
164.98643	0.2
168.98091	0.1
177.04047	0.3
180.98158	0.5
198.99231	0.5
201.46024	0.1
213.00859	0.1
222.99071	0.1
225.00803	0.2
241.00240	2.0
256.99722	1.0
285.02701	0.3
300.02908	0.2
365.09137	0.3
379.10696	0.6
380.10825	0.1
393.12405	0.1
412.44586	0.1
421.15311	0.1
433.17303	0.1
451.16693	0.2
453.17981	100.0
454.18286	9.8
455.17868	0.5
465.14526	0.2
466.14810	0.1
467.15884	0.6
469.17035	0.1
553.15155	0.1
609.14764	0.1
820.72327	0.1
1063.32410	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	1077.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95744	3.9
80.96527	0.6
83.01395	0.0
85.02953	0.2
87.00872	0.1
87.89388	0.0
89.02465	0.1
95.01398	0.1
95.95246	3.8
96.96024	33.8
97.02947	0.0
97.95943	0.1
98.95612	0.1
101.02444	0.4
101.78056	0.0
109.96832	0.1
113.02470	0.1
121.25900	0.0
122.97611	0.4
124.44119	0.1
138.97086	0.9
141.95773	0.2
150.97093	0.7
151.97890	0.1
152.98659	0.2
161.97954	0.0
164.98645	0.3
167.00206	0.1
168.98079	0.2
177.04062	0.1
180.98166	0.5
182.99687	0.2
197.01251	0.1
198.99202	0.3
213.00826	0.1
222.99217	0.1
225.00743	1.7
225.02951	0.1
226.00977	0.0
231.56105	0.1
234.29897	0.1
241.00220	2.1
242.00745	0.1
250.84557	0.0
256.99768	0.3
259.01294	0.1
271.02393	0.1
300.02563	0.1
301.03360	0.1
372.09329	0.1
411.13019	0.1
433.17062	0.1
435.40707	0.1
453.18246	0.1
465.14172	0.6
466.14810	0.5
467.15900	100.0
468.16248	10.4
469.16660	0.2
499.76816	0.1
609.14893	0.1
643.17346	0.1
812.86407	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	1043.327
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95738	0.1
83.01395	0.5
85.02954	0.5
87.00887	0.2
91.01888	0.2
93.03468	0.3
93.96400	0.1
95.01382	0.1
96.96018	0.5
98.19938	0.3
99.00912	0.1
103.59665	0.1
107.01405	1.7
108.02176	0.7
109.02961	0.7
113.02444	0.4
117.01968	0.1
119.01411	0.2
121.02974	1.0
124.01714	0.1
124.82919	0.1
125.02451	0.3
133.02988	0.1
135.00937	0.5
135.01834	0.1
137.02434	0.1
139.11292	0.2
148.01669	0.6
149.02415	0.3
151.00383	7.5
152.00775	0.3
153.01910	0.1
159.04564	0.2
159.83943	0.1
163.00398	1.5
163.01675	0.2
163.04022	0.2
164.01102	0.4
165.01955	0.1
169.01457	0.5
169.02721	0.1
175.04015	0.2
178.99863	3.9
180.00209	0.2
183.04549	0.2
183.10268	0.4
187.03957	0.2
189.01965	0.1
190.02797	0.1
190.05244	0.1
190.99849	0.2
191.03450	0.1
192.00647	0.3
193.01315	0.2
198.03027	0.1
199.03987	0.4
200.04729	0.1
201.05573	0.2
202.02702	0.1
203.03508	0.2
211.04015	0.6
213.01787	0.1
213.05519	0.1
215.03519	0.4
216.04282	0.4
217.01317	0.1
226.02695	0.8
227.03485	1.9
228.04030	0.2
229.01413	0.1
229.05006	0.5
239.03455	0.2
240.04144	0.1
243.02974	5.3
244.01207	0.1
244.03503	0.5
245.04507	0.8
249.06195	0.5
254.02188	1.4
255.02966	16.7
256.03351	1.2
257.04501	0.2
266.02344	0.1
271.02444	33.9
272.02896	3.2
273.03955	0.7
274.04166	0.1
283.02405	0.8
299.01999	1.0
300.02744	66.6
301.03448	29.4
302.03860	2.0
313.03452	0.2
343.04608	0.5
432.06201	0.2
433.17130	4.0
434.17450	0.5
447.09311	1.3
448.09250	0.1
463.09259	0.1
467.15942	0.4
548.55737	0.1
609.14703	100.0
610.15033	13.8
709.60822	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	1015.5049
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	36.3
71.42844	27.2
86.99613	14.7
89.02419	22.8
96.96024	22.4
100.04057	19.1
105.56806	14.3
147.04546	64.2
147.26549	15.1
265.13229	15.3
278.94595	14.9
300.86148	14.0
309.20645	34.4
325.20404	18.3
344.34268	15.7
815.97888	17.5
911.57886	15.9
952.51520	100.0
953.52368	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1021.289
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	0.8
72.99310	0.2
73.02953	0.1
75.00884	0.3
78.04440	0.1
79.95741	3.3
80.96526	0.8
83.01393	0.1
85.02962	0.5
87.00877	0.2
89.02459	0.2
94.98067	0.1
95.01395	0.1
95.95242	3.9
96.96019	39.9
97.95952	0.2
99.00903	0.1
101.02454	0.4
113.02464	0.2
121.92545	0.1
122.97597	0.6
125.86506	0.1
129.01927	0.2
138.97087	0.7
141.95798	0.1
150.97081	1.2
151.97829	0.3
152.98619	0.2
159.03030	0.1
164.98622	0.2
168.98161	0.2
176.98666	0.1
177.04056	2.3
178.04396	0.1
180.98108	0.4
182.99742	0.1
194.99677	0.2
198.99159	0.2
213.00800	0.3
216.94949	0.1
222.99110	0.2
224.98694	0.1
225.00797	0.6
229.74173	0.1
241.00211	2.2
242.00639	0.1
255.02942	0.1
256.99716	1.9
257.99927	0.1
271.02414	0.1
278.84122	0.1
300.02713	0.1
301.03357	0.1
327.07611	0.1
339.07275	0.1
411.13284	100.0
412.13608	8.8
413.13547	0.1
467.16049	0.3
469.17102	0.1
609.14532	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99338	0.3
79.95736	0.4
83.01383	1.1
85.02954	1.5
89.02460	0.3
93.03457	0.9
95.01420	0.2
96.96019	3.0
107.01400	2.2
108.02210	1.0
109.02982	1.2
121.03014	1.1
125.02470	0.3
129.01903	0.3
134.03737	0.2
135.00899	0.8
137.02449	0.2
139.04008	0.3
143.05013	0.3
145.06657	0.2
147.00868	0.3
147.02992	0.2
148.01692	0.9
149.02483	0.6
151.00392	6.7
153.01932	0.4
157.06618	0.3
159.04494	0.8
161.02473	0.4
163.00389	2.8
164.01140	0.4
165.01956	0.9
167.05074	0.3
169.01439	0.6
169.06633	0.7
171.04514	0.3
172.05219	0.2
173.06027	0.3
174.03127	0.2
175.04015	0.4
178.99898	3.4
183.04523	0.6
185.06065	1.0
187.03984	1.6
188.04326	0.2
189.05548	0.5
191.00012	0.4
191.01929	0.7
192.00598	0.4
193.01347	0.3
193.05032	0.3
195.06523	0.3
197.06091	0.5
198.03148	0.3
199.04031	0.8
201.05591	0.6
203.93132	0.2
211.03955	2.0
212.04510	0.5
213.05540	0.9
215.03499	0.5
226.02747	0.9
227.03490	14.3
228.03893	1.4
229.05043	6.0
230.05328	0.5
237.14978	0.4
239.03511	1.1
240.04120	0.4
241.05058	0.7
242.01880	0.3
242.45862	0.3
243.02985	5.5
244.03423	0.5
245.04466	0.9
254.02261	1.3
255.02972	40.0
256.03519	3.8
257.04532	2.9
267.02988	0.5
270.01758	0.4
271.02451	32.6
272.02872	3.1
273.03934	0.8
283.02487	0.9
284.03247	36.8
285.04013	47.9
286.04379	3.7
294.35684	0.2
299.02072	1.3
300.02744	56.7
301.03467	31.7
302.03888	2.2
327.04987	0.4
377.08810	0.3
411.13394	0.5
431.06226	0.9
432.06421	0.9
433.07730	63.5
434.08093	7.1
451.16452	0.4
465.14240	0.9
593.15094	100.0
594.15430	15.1
643.23920	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	990.5744
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03424	5.3
69.07057	1.4
69.72278	3.2
69.78980	0.5
70.06572	1.4
71.01353	0.9
71.04974	1.7
72.04505	1.3
73.02903	14.9
75.04459	0.9
79.05472	2.9
80.05010	0.7
81.03411	2.2
81.07041	5.7
83.04963	1.8
83.08615	0.9
84.04491	51.3
85.02897	5.0
85.04798	0.6
86.09692	0.6
87.04459	0.6
89.40739	0.5
91.05456	4.6
93.07029	12.0
95.04953	1.7
95.08596	8.1
96.04471	8.3
97.02866	7.2
98.06037	4.4
99.04452	0.8
102.05518	0.5
103.05447	3.2
105.06998	4.3
107.08575	4.4
109.02868	1.3
109.06525	0.5
109.10125	3.1
111.04433	1.6
111.08089	0.9
112.04654	0.5
114.05565	0.8
115.03919	4.1
117.06999	1.2
119.08565	6.7
121.10131	8.5
122.10461	0.6
123.11691	1.7
124.03949	0.6
126.05495	75.5
127.03899	1.9
127.05837	1.3
128.06169	0.6
129.05461	1.1
129.06976	1.2
131.04912	9.3
131.08537	2.4
132.05225	0.9
133.06465	1.0
133.10088	2.5
135.08069	1.3
135.11676	2.5
137.13240	2.2
138.05476	54.2
139.05785	0.8
143.08536	1.6
144.06543	10.9
145.05066	0.5
145.10097	3.4
147.08047	1.7
147.11679	1.2
149.09618	1.7
149.13216	1.3
155.08406	0.8
157.10083	1.9
159.11636	1.8
161.09564	0.7
161.13242	1.3
162.07587	20.9
163.07861	1.1
163.11247	0.5
165.09045	4.4
167.10651	1.9
168.06537	20.3
169.10109	1.8
171.11629	2.1
173.09537	0.6
173.13235	1.5
175.07484	0.6
175.14790	0.8
177.16263	0.9
180.08801	0.6
183.11646	1.3
185.13208	2.2
186.07585	13.4
187.07912	0.6
187.14815	2.7
189.16377	0.8
191.17888	2.1
195.11751	0.7
197.13158	0.6
199.14729	0.7
201.12704	0.9
201.16454	0.6
203.14236	0.9
203.17932	1.5
204.08640	100.0
205.09042	2.5
205.19516	0.6
211.14720	1.1
213.16376	1.1
217.19487	0.8
222.09692	16.2
225.16408	0.6
231.13734	0.6
237.16371	0.7
239.17842	0.7
245.08159	0.7
258.09695	1.0
263.09088	0.5
276.10779	0.6
294.11841	6.5
300.10583	0.7
312.12964	0.8
318.12000	0.6
336.12820	45.1
337.13144	2.7
354.13727	1.6
389.31702	0.7
391.33417	1.5
407.33041	0.8
409.34274	0.7
411.18015	0.7
426.15646	0.7
435.32657	3.4
453.33591	2.9
459.34698	0.6
518.32385	0.5
601.42303	0.5
745.28058	0.5
937.55621	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.5873
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	6.2
69.07057	23.2
69.63003	0.6
70.10744	3.1
71.04948	2.0
73.02875	0.9
73.55190	0.5
79.05482	29.9
81.03410	5.8
81.07042	37.9
83.04974	3.4
83.08607	9.7
83.28568	0.6
85.02894	4.6
85.06500	1.4
91.03896	2.0
91.05466	20.4
93.07028	31.7
94.04169	0.7
95.01304	0.9
95.04960	8.7
95.08591	23.6
97.02882	10.1
97.06516	3.4
97.10151	9.7
98.21373	0.9
99.08051	0.7
101.09621	0.6
104.56013	0.6
105.04509	0.9
105.06314	0.6
105.07013	15.4
107.04932	4.4
107.08576	17.8
108.48549	0.6
109.06458	2.3
109.09488	0.9
109.10144	13.7
111.04404	0.8
111.08031	1.9
115.05407	1.2
116.06212	0.6
117.06378	0.6
117.06996	6.9
118.77913	0.6
119.04858	0.7
119.08561	12.6
121.06448	2.2
121.09309	1.0
121.10122	12.4
123.04396	0.9
123.08002	2.5
123.11690	3.3
125.09604	7.8
127.03857	1.2
128.06161	0.8
129.06958	2.5
131.08534	12.1
133.06488	3.0
133.10097	7.5
134.07184	1.0
135.08041	3.1
135.11664	6.4
137.09552	1.8
137.13177	0.6
141.06929	0.7
142.07825	0.6
143.08504	2.9
145.04901	1.5
145.10115	7.4
147.08022	4.0
147.11656	5.1
149.09557	2.5
149.13260	4.6
151.11081	1.7
157.10056	1.9
159.11691	4.1
161.09550	1.9
161.13199	2.4
163.00696	0.6
163.05960	0.9
163.11119	1.6
163.14761	1.5
165.09065	1.4
165.12695	0.8
169.10074	1.0
171.11653	2.8
173.13205	2.3
175.11160	2.0
175.14836	1.7
177.12703	1.4
183.11685	1.0
185.13153	1.1
187.14713	1.3
189.11131	3.2
193.12210	1.0
195.13716	0.7
199.11171	1.0
205.12160	1.9
211.13168	1.6
218.24348	0.7
223.13252	19.1
227.12781	4.8
231.17291	0.7
233.15300	0.8
243.21040	2.6
245.18907	1.7
249.14777	3.3
253.14255	0.8
255.17342	0.8
259.20679	1.0
261.22067	9.0
263.20020	0.9
267.16092	1.4
273.18463	13.1
275.20142	0.8
291.19489	96.5
292.19809	1.7
317.24731	2.7
335.25748	68.4
336.26065	1.3
347.22089	3.3
365.23172	73.0
366.23447	1.6
429.20959	0.9
435.24075	0.7
527.28711	1.0
527.37073	1.4
531.36591	1.2
545.38190	6.8
546.38873	0.7
551.41071	1.2
555.36493	0.8
607.43292	3.2
618.02167	0.7
625.44501	100.0
626.44885	4.0
643.45636	2.7
689.42236	0.8
787.50128	0.9
984.54370	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6027
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03410	4.1
69.07054	16.8
69.31470	4.3
71.04977	2.9
73.02848	1.3
77.03873	0.6
79.05476	40.1
80.05782	0.6
81.03396	4.4
81.07040	53.0
82.07368	0.4
83.04965	6.3
83.08601	14.4
85.02888	7.2
85.06480	2.0
91.03888	2.1
91.05460	29.4
93.07024	44.3
94.07339	1.0
95.04946	22.6
95.08587	36.4
97.02871	4.0
97.06509	6.4
97.10145	8.2
99.04388	2.1
99.08028	1.4
103.05453	1.1
105.04446	1.3
105.07008	25.2
107.04934	5.8
107.08572	29.7
108.08844	0.7
109.02816	1.6
109.06505	5.6
109.10133	16.7
111.04398	3.1
111.08063	3.6
113.09606	0.9
115.05397	0.7
117.06233	0.7
117.06990	9.8
119.08556	20.4
121.06465	3.6
121.10117	20.0
123.08051	4.7
123.11690	5.3
125.09607	6.9
127.03918	2.4
129.05431	0.6
129.06992	2.9
130.07758	1.0
131.08537	16.2
133.06422	0.7
133.09143	1.0
133.10101	18.2
135.08031	4.0
135.11653	12.6
137.09560	1.8
137.13171	1.3
139.11101	1.5
141.06927	1.3
143.08546	3.3
145.04921	1.1
145.06383	0.8
145.10092	15.7
147.08015	2.3
147.11650	10.2
149.08427	0.7
149.09584	12.3
149.13246	6.9
151.11110	1.7
153.09018	0.7
153.12701	1.1
155.08464	1.4
157.10062	3.0
159.11656	10.0
161.09564	1.2
161.13216	5.3
163.05948	1.1
163.09889	0.6
163.11154	9.8
163.14777	2.3
165.09000	0.6
165.12665	1.9
167.14111	0.5
168.09302	0.5
169.10077	2.3
170.24797	0.4
171.11632	2.4
173.09534	0.8
173.11768	0.8
173.13216	6.6
175.11111	1.0
175.14722	2.0
177.12666	2.0
177.16322	0.8
179.14221	0.9
181.12201	1.0
183.11613	1.6
185.13193	2.0
186.34424	0.6
187.11113	1.8
187.14764	3.1
189.11145	4.1
189.12660	0.8
191.14209	0.9
193.12186	0.8
195.13835	0.6
197.13206	2.1
199.14845	0.7
201.12700	0.9
201.16296	1.1
203.14162	0.7
205.12158	1.8
211.14917	0.8
215.17914	1.1
217.16092	0.6
219.17400	0.8
223.13222	9.7
227.12711	5.4
229.14253	1.8
229.19441	2.1
239.17883	2.4
241.19315	0.7
243.21054	1.6
247.20546	1.8
255.15906	2.0
257.18930	5.5
259.11700	0.5
259.20404	1.1
261.22049	7.9
267.15884	1.4
269.17343	5.1
273.18610	0.6
275.20013	32.7
276.20422	1.9
277.21613	0.8
293.21063	13.1
298.52277	0.5
309.20435	0.6
317.24731	2.2
331.22650	1.2
333.24228	1.6
335.25729	100.0
336.26050	4.3
349.23679	25.5
350.24057	0.8
351.25476	0.6
367.24701	24.5
368.24857	0.6
369.24014	0.7
489.35797	1.7
493.28311	0.6
505.35211	1.9
511.28201	0.8
515.37231	5.9
529.38776	14.3
530.38977	1.2
535.41516	0.6
545.38361	0.8
547.40338	0.7
569.41699	1.2
591.44342	1.1
595.02051	0.6
609.45013	47.1
610.45325	3.9
627.46045	72.2
628.46442	5.9
645.47253	1.6
649.39960	0.6
673.43372	0.7
737.84583	0.6
753.49133	0.8
771.49530	1.8
987.60577	1.4
994.48517	0.8
1012.25220	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.5874
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03422	5.7
69.07055	17.4
71.03207	0.9
71.04980	2.0
73.02889	0.9
77.03859	0.5
79.05480	26.9
81.03400	4.1
81.07043	32.0
83.04964	2.4
83.08607	6.9
85.02897	3.9
85.06477	0.8
91.03950	2.1
91.05465	17.8
93.07028	27.1
95.04953	7.1
95.08591	24.0
96.08947	0.5
97.02870	8.1
97.06515	2.7
97.10157	8.6
99.04422	0.5
99.08026	0.9
99.94371	0.4
105.07012	12.7
107.04935	4.1
107.07889	0.9
107.08574	17.0
109.02854	0.4
109.06481	3.0
109.10139	12.8
111.04373	0.5
111.08012	1.2
113.97639	0.4
115.05413	1.2
115.07581	0.3
117.06211	0.5
117.06997	6.5
119.04919	0.8
119.08564	12.2
121.06472	2.3
121.10122	11.3
123.08089	2.1
123.11696	3.1
125.09604	6.0
127.03884	1.0
128.06215	0.4
129.06953	2.6
130.07780	0.5
131.08549	9.1
133.06451	2.2
133.10106	7.4
134.07184	0.5
134.33846	0.6
135.08060	2.1
135.11668	7.0
137.09579	1.6
137.13223	0.5
139.11053	0.7
141.06981	0.8
143.08514	2.7
145.04941	0.7
145.06432	0.7
145.10094	6.4
147.08031	3.4
147.11665	4.3
149.09573	1.7
149.13210	3.8
151.11147	0.8
153.09019	0.8
155.08548	0.6
157.10063	1.9
159.08014	0.6
159.11653	2.5
161.09557	1.5
161.13214	2.2
162.10367	0.8
163.11122	1.3
163.14713	1.1
165.09053	1.2
169.10106	0.7
169.12100	0.6
171.11638	1.0
173.09576	0.5
173.13174	2.1
175.11148	1.8
175.14728	0.9
177.12691	1.5
177.16312	0.5
183.11571	0.5
185.13138	0.9
187.11104	0.5
187.14807	0.7
189.11162	2.4
189.12656	0.5
193.12141	1.2
195.13800	0.7
199.14766	0.4
205.12177	1.5
211.13286	0.6
211.50565	0.4
223.13243	14.1
224.13773	0.5
227.12688	2.0
227.17998	0.6
243.21019	2.3
249.14812	1.9
259.20584	0.5
261.22058	5.5
263.19800	0.4
267.15817	1.2
273.18472	8.4
275.19711	0.5
285.16937	0.7
291.19489	69.5
292.19867	2.7
296.32419	0.4
299.23325	0.4
309.20615	0.6
317.24667	3.1
335.25735	67.5
336.25992	2.0
347.22006	2.1
365.23166	42.4
366.23633	1.4
382.46945	0.5
477.28394	1.0
505.35294	1.1
527.37579	1.2
531.36511	0.5
545.38373	4.3
607.43829	2.8
625.44513	100.0
626.44794	6.5
643.45483	1.1
689.42322	0.9
769.47900	0.8
787.49530	1.0
980.45477	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.5293
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03416	1.9
69.07050	1.3
71.01354	0.5
71.55392	0.5
73.02488	0.8
73.02897	14.1
79.05473	1.6
80.04990	0.6
81.03386	1.2
81.07038	4.3
83.04975	0.4
83.08602	0.4
83.88919	0.3
84.04485	52.6
85.02874	1.1
85.04817	0.5
87.04414	0.5
91.05470	1.9
93.07022	2.8
95.04962	0.6
95.08581	6.3
96.04461	6.0
96.28518	0.4
97.02858	2.1
98.06026	3.8
103.05441	1.0
105.06992	3.0
107.08574	3.5
108.04439	0.6
109.02825	1.4
109.10124	2.4
115.03884	2.4
115.19785	0.4
115.48297	0.3
117.06968	0.7
118.04135	1.3
119.08550	3.2
121.06518	0.5
121.10107	2.6
123.11660	1.6
124.03963	0.8
126.05488	81.1
127.03893	1.3
127.05828	0.9
129.06978	0.3
131.08543	2.4
133.04912	0.7
133.06464	10.1
133.10106	1.7
135.08038	0.4
135.11685	1.8
137.13242	2.3
138.05469	52.1
140.07042	0.4
141.06886	0.4
143.08545	1.1
144.06522	9.8
145.10085	2.7
147.11626	1.8
149.13220	1.3
150.05388	0.6
155.08484	0.6
156.09273	0.5
157.10078	1.4
159.08070	0.5
159.11667	1.4
161.05949	28.1
161.13232	0.7
162.07532	0.9
163.07436	0.4
168.06525	19.3
169.10106	1.1
170.10814	0.5
171.11615	1.2
173.13231	0.9
175.14816	0.6
177.16309	0.5
179.06921	0.9
183.11600	0.4
185.09586	0.4
185.13194	2.1
186.07571	12.6
187.14726	2.0
189.16360	0.7
191.17917	1.6
197.13141	0.5
199.14691	0.8
201.12645	0.8
201.16408	1.1
203.14268	0.8
203.17926	0.8
204.08627	100.0
204.45648	0.3
205.08925	1.0
211.14899	0.7
217.15831	0.4
222.09673	14.3
227.14244	0.4
227.17961	0.5
229.12279	0.5
229.15805	0.5
231.13713	0.4
239.17822	0.6
245.15236	1.2
253.19379	0.6
257.22507	0.5
287.78171	0.4
300.10568	1.1
336.12811	43.0
337.12799	0.5
354.14084	1.7
389.31992	0.5
391.33307	1.0
407.33084	1.7
409.34378	0.8
435.32431	3.0
453.33490	2.7
508.82880	0.4
575.74292	0.5
981.00562	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	970.6077
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03407	4.3
69.06717	1.5
69.07053	17.8
69.18565	12.4
71.04957	3.1
73.02903	5.1
79.05479	63.6
80.05804	1.5
81.03382	4.0
81.07041	75.0
83.04957	2.2
83.08601	12.7
85.02889	18.0
85.06500	3.1
91.03942	10.9
91.05464	62.8
93.07025	73.2
94.07279	1.0
95.04935	8.6
95.08588	59.7
96.08913	1.1
97.02867	8.6
97.06504	5.2
97.10139	4.0
98.20715	2.0
99.08070	2.1
103.05392	1.4
105.04514	1.7
105.07011	64.0
106.07331	1.8
107.04924	1.4
107.08571	40.7
109.02841	1.2
109.06483	3.4
109.10130	24.5
111.08038	2.7
115.05441	1.7
117.06207	1.7
117.06995	24.4
119.08557	49.8
121.10121	32.4
121.11010	1.2
123.08044	2.3
123.11678	7.4
125.09584	1.7
127.03912	5.9
128.06160	2.2
129.06970	10.3
131.08545	26.9
133.10107	39.9
133.96135	1.2
135.08028	2.3
135.11664	27.6
137.09573	1.8
137.13190	2.5
142.07826	1.1
143.08507	10.9
145.04892	5.3
145.09032	1.8
145.10100	26.9
146.10439	1.5
147.11659	34.7
149.09604	3.4
149.13231	14.9
151.11169	1.8
155.08533	4.1
157.10114	11.3
159.11661	23.6
161.13225	24.8
163.05983	6.1
163.11133	2.3
163.14807	5.5
167.08456	1.2
169.10042	3.2
171.11650	13.0
173.13225	16.7
175.14787	8.9
177.12677	1.4
181.10043	1.6
183.11584	4.7
185.13171	10.2
187.14777	5.1
189.16342	1.6
191.14114	1.0
195.11604	1.4
197.13231	2.1
199.14771	6.3
201.16296	2.8
201.75343	1.1
203.14381	1.3
209.13196	1.4
213.14644	1.2
213.16379	3.1
215.17882	2.5
225.16371	2.2
229.19374	1.6
231.17389	1.1
231.21022	4.6
239.17857	2.7
241.19539	18.8
242.19788	1.1
243.20978	3.4
257.18945	7.9
259.20523	59.5
260.20898	1.8
261.22061	10.3
269.22684	1.0
271.20404	1.5
277.21741	1.8
279.20694	1.0
285.22104	1.4
289.21548	1.4
299.23489	1.7
301.21625	2.0
315.23068	3.2
316.46692	1.0
317.24762	1.7
322.67957	1.2
331.22681	5.0
333.24167	51.7
334.24628	1.2
335.25735	79.3
336.25937	4.4
337.27264	6.3
351.25327	1.2
353.27811	1.2
367.22495	1.7
377.98245	0.9
385.23535	2.0
403.24664	1.5
441.26599	1.3
470.74185	1.1
487.34250	1.2
489.35403	1.8
501.41150	1.3
503.37277	1.7
515.37390	1.3
519.41669	6.9
530.39526	1.3
537.42767	1.9
541.38751	2.2
555.40338	1.2
569.42767	1.1
593.45404	14.9
594.45306	1.5
611.46576	100.0
612.46667	9.6
623.45868	1.6
635.46075	1.4
701.47168	3.9
719.47839	3.6
737.49390	3.4
755.50012	5.2
845.12640	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	956.6287
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	90.3
68.05833	1.1
69.03409	4.3
69.07059	30.4
71.04979	4.0
71.08617	2.8
71.37901	2.0
73.02906	7.0
74.09739	0.8
78.98332	0.9
79.05482	41.8
79.38188	0.9
81.03420	1.8
81.07047	100.0
83.04963	2.4
83.08609	19.2
84.22437	0.9
85.02896	25.2
85.06538	3.6
85.10197	1.7
87.04462	1.3
91.03947	17.2
91.05470	29.6
93.06574	1.0
93.07030	55.9
95.04966	4.7
95.08595	80.5
96.04472	1.0
97.02876	13.9
97.06512	4.8
97.10164	9.3
99.04452	1.4
99.08099	2.9
105.04504	0.8
105.07015	23.9
107.08584	29.8
107.09291	2.0
109.02863	2.0
109.06522	2.0
109.10143	33.8
111.08088	2.7
111.11713	1.5
113.09653	1.7
117.07011	7.3
119.08571	20.9
120.08981	0.9
121.10130	27.1
123.08055	2.1
123.11687	14.4
125.09639	2.2
127.03912	6.9
131.08565	13.4
133.10120	19.3
135.08037	0.9
135.11676	18.5
137.09598	2.1
137.13242	7.6
143.08546	1.7
145.04927	10.3
145.10100	9.9
147.11674	13.0
149.13229	13.9
151.11111	2.0
151.14799	1.9
153.12753	1.1
155.08516	0.9
157.10115	1.2
159.11673	12.0
161.13246	10.7
163.06000	12.2
163.11139	1.4
163.14807	9.3
163.95636	0.9
165.12709	1.0
165.16422	1.3
171.11664	2.9
173.13248	8.1
175.14828	6.4
177.12778	1.0
177.16417	2.8
180.08623	1.0
185.13269	2.9
187.14810	3.9
189.16415	2.6
199.14763	1.5
201.16368	2.6
203.17972	1.1
207.17546	1.1
233.22653	1.7
241.19519	2.5
243.21097	9.7
245.22726	2.8
259.20459	8.5
261.22107	30.7
262.22470	1.3
263.23666	4.2
299.23776	1.0
301.25674	0.9
317.24692	4.2
333.24179	7.6
335.25757	98.4
336.26089	3.8
337.27332	96.6
338.27777	4.7
339.28928	9.0
357.31665	1.2
497.63004	1.0
505.38638	1.3
523.44745	5.0
531.40106	1.5
541.46259	2.7
545.42120	1.0
559.46027	1.2
579.48169	1.1
597.48694	45.7
598.49115	3.3
615.49750	77.3
616.49762	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	954.613
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	53.3
69.03413	2.2
69.07056	11.3
69.81995	1.3
71.04976	1.8
71.08615	0.8
73.02904	3.4
77.03922	0.7
78.04688	0.4
79.05480	32.8
81.03401	1.3
81.07042	55.1
82.07390	0.6
83.04971	1.6
83.08606	6.4
85.02891	15.9
85.06534	2.2
87.04426	0.4
91.03941	10.4
91.05464	22.0
92.05782	0.4
93.07026	42.6
95.04961	4.1
95.08588	47.8
96.04498	0.7
96.08940	0.4
97.02869	7.9
97.06523	2.5
97.10146	3.5
99.04443	0.9
99.08071	1.0
101.02383	0.5
103.03906	0.4
103.05466	0.6
105.04501	1.1
105.07011	17.0
107.08573	23.2
109.02840	0.5
109.06499	1.2
109.10136	19.6
111.08060	1.9
111.11679	0.6
113.09622	0.4
115.03886	0.8
115.05417	0.4
117.07002	6.0
119.08561	14.8
121.10120	20.7
123.08054	1.0
123.11686	7.1
125.09604	1.1
127.03891	5.0
128.06216	0.4
129.05429	0.3
129.06972	1.7
130.07820	0.4
131.08543	11.2
133.10109	13.8
135.08080	0.5
135.11665	15.0
137.09595	1.0
137.13235	2.9
139.11128	0.6
142.07846	0.3
143.08534	1.8
145.04939	5.6
145.10098	8.6
147.10480	0.7
147.11655	10.4
149.09573	0.7
149.13234	9.2
151.11195	0.5
151.14824	1.0
153.12689	0.4
155.08461	0.4
157.10089	2.2
159.11673	9.2
161.13239	8.2
161.14571	0.3
163.05977	8.5
163.11198	1.0
163.14795	5.0
165.12701	0.5
165.16405	0.5
169.10162	0.4
171.11694	2.4
173.13242	7.0
175.14781	3.6
177.12759	0.4
177.16339	2.2
183.11653	0.5
185.13181	2.3
187.14755	3.6
189.16382	1.2
191.14276	0.7
191.17953	0.6
193.10120	0.3
197.13239	0.6
199.13242	0.4
199.14803	1.9
201.16367	1.5
203.17899	0.7
205.15747	0.4
207.17516	0.3
209.13155	0.3
211.14813	0.5
213.16466	0.5
215.17941	1.1
217.19469	0.6
219.17389	0.5
221.18944	0.4
227.16249	0.5
229.19531	0.5
231.21013	0.8
233.22554	0.8
239.17982	0.4
241.17622	0.4
241.19524	4.4
243.21043	5.9
245.22551	0.6
247.20625	0.7
257.19092	0.5
259.20514	10.8
261.22092	18.7
263.23740	2.0
271.20593	0.4
273.21997	0.4
275.23456	0.4
277.21597	0.9
279.22986	1.5
281.21170	0.6
287.23633	0.5
289.25284	0.3
299.23663	0.8
300.27094	0.4
301.25031	0.6
305.21194	0.3
309.24365	0.4
313.25143	0.4
315.23141	1.2
317.24683	3.6
333.24185	10.7
333.28250	0.6
335.25739	100.0
336.26016	1.8
337.27295	16.0
341.28134	0.5
349.23605	0.4
351.25250	0.9
353.26965	0.5
355.30112	0.4
387.24921	0.4
397.30905	0.5
423.32120	0.5
429.33887	0.6
437.34454	0.4
475.33911	0.5
489.35800	1.0
491.37186	0.5
503.42520	0.9
515.37000	0.4
517.38574	0.7
521.43579	3.0
529.38544	0.9
531.40344	0.9
539.44403	1.5
543.40155	0.8
595.47101	18.5
596.47632	0.4
613.48157	31.5
614.48370	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.5192
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05486	1.9
68.05017	0.4
68.78655	0.1
69.03412	1.5
69.07056	1.9
70.06577	0.4
71.01347	0.4
71.04967	0.2
71.08602	0.1
71.14372	0.3
72.04501	0.3
73.02902	14.2
74.68428	0.1
77.03876	0.1
79.05471	1.4
80.05013	0.6
81.03403	1.0
81.07040	5.8
82.06570	0.3
83.04959	0.3
83.08595	1.2
84.04487	54.6
85.02880	1.3
85.04819	0.3
86.06089	0.1
87.04478	0.2
91.05440	1.3
93.06457	0.2
93.07023	2.5
95.04919	0.6
95.08585	7.6
96.04469	6.2
97.02869	2.8
97.10130	0.6
98.06028	4.1
99.04443	0.3
100.03982	0.2
101.02374	0.2
102.05488	0.1
103.05443	3.4
105.07008	2.5
107.04994	0.1
107.08572	4.2
108.04466	0.6
109.02854	1.6
109.06499	0.2
109.10130	3.6
110.06035	0.3
111.11688	0.3
114.05505	0.5
115.03902	2.5
115.05351	0.1
116.07055	0.2
117.06992	0.7
119.08556	3.2
121.06493	0.2
121.10111	2.9
123.08071	0.1
123.11679	2.4
124.03934	0.5
126.05489	80.8
127.03884	1.2
127.05847	0.6
128.06210	0.2
129.06970	0.6
130.07817	0.2
131.04901	8.4
131.08545	2.5
133.04953	0.7
133.06488	0.3
133.10106	2.2
135.08011	0.5
135.11678	1.9
137.13232	2.4
138.05469	50.7
139.05826	0.3
141.06952	0.2
142.07738	0.5
143.08530	1.7
144.06529	9.3
145.06493	0.3
145.10085	3.9
146.10612	0.1
147.08057	0.3
147.11664	1.5
149.05919	0.4
149.13219	1.7
150.05501	0.2
151.03873	0.5
151.07524	0.2
151.14764	0.2
155.08484	0.7
156.06569	0.2
156.09305	0.4
157.10100	1.7
158.10854	0.2
159.08058	0.4
159.11653	1.7
161.05968	0.1
161.09619	0.4
161.13223	1.2
162.07570	0.4
163.07573	0.3
163.14771	0.5
165.05553	0.2
167.08540	0.2
168.06525	18.6
169.10121	1.2
170.10875	0.6
171.08047	0.2
171.11629	1.4
172.12462	0.1
173.09613	0.2
173.13208	1.2
175.07457	0.3
175.14828	0.7
177.16322	0.6
181.10074	0.3
182.10829	0.3
183.11626	1.1
185.09651	0.2
185.13234	2.0
186.07571	12.5
187.07666	0.2
187.11172	0.6
187.14784	2.2
189.09058	0.2
189.12706	0.2
189.16377	0.9
191.14238	0.2
191.17900	1.8
192.06555	0.3
195.11621	0.4
197.09612	0.2
197.13243	0.8
199.11131	0.2
199.14755	1.3
201.09047	0.2
201.12663	1.3
201.14330	0.2
201.16386	0.9
203.10634	0.2
203.14238	1.1
203.17957	1.2
204.08630	100.0
205.08925	1.1
205.12051	0.2
205.15712	0.1
205.19513	0.6
209.13208	0.5
211.11125	0.2
211.14763	1.3
213.12665	0.4
213.16347	0.9
215.10594	0.2
215.14290	0.3
215.17976	0.2
217.19481	0.5
219.13818	0.1
221.13243	0.1
222.09679	16.1
223.14833	0.3
225.16347	0.4
227.14282	0.4
227.17883	0.2
229.12173	0.3
229.15799	0.7
231.13713	0.3
237.16257	0.4
239.17865	0.5
241.19481	0.3
243.13731	0.2
243.20825	0.2
245.15318	0.9
249.14821	0.2
251.17918	0.4
253.19460	0.5
255.13817	0.2
255.21001	0.2
257.15280	0.4
257.19016	0.2
258.09659	0.6
263.22696	0.1
265.19312	0.3
267.21008	0.2
279.21021	0.2
283.16925	0.2
283.24084	0.2
285.18396	0.2
297.18469	0.3
299.20087	0.2
300.10706	1.0
315.05032	0.6
318.11810	0.4
336.12808	39.1
337.13184	0.6
353.24530	0.3
354.13882	1.0
371.25659	0.2
373.26993	0.1
379.33481	0.3
389.31592	0.7
391.33478	0.7
407.33002	1.4
409.29523	0.1
409.34308	0.8
417.31174	0.2
435.32535	3.1
438.24554	0.2
453.33640	1.7
485.17511	0.2
583.37427	0.5
928.28705	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.6759
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03433	0.7
69.07060	1.9
69.64349	4.4
71.04967	1.1
71.08621	69.0
72.08940	0.6
73.02895	2.4
73.06537	3.8
81.07053	1.3
83.08604	3.4
84.08124	1.1
85.06569	0.7
85.10169	67.1
87.03916	1.2
87.04456	24.4
89.06016	100.0
90.06335	0.7
91.07626	1.1
95.04960	0.9
97.10146	1.0
97.20139	0.5
98.20901	1.7
98.21502	0.8
99.11724	7.2
101.09623	1.5
103.07563	1.2
107.07033	4.1
111.11711	0.8
113.05994	1.9
115.07523	0.8
117.09123	8.1
127.94920	0.5
130.08601	9.4
131.07025	7.1
133.08580	83.5
135.10228	0.7
141.16347	8.2
151.09583	0.8
161.11708	2.1
162.74075	0.6
173.11707	0.7
175.09645	7.9
177.11185	35.0
181.19469	0.6
195.11957	0.6
199.20540	20.1
219.12265	3.2
221.13785	8.6
223.15300	0.8
224.63136	0.6
237.13225	0.8
239.14842	1.9
240.23155	1.8
243.90051	0.6
257.24731	9.5
261.42181	0.6
265.16464	1.6
283.17487	4.3
309.19092	1.5
311.20660	0.6
323.98737	0.6
327.20175	1.9
335.25882	0.6
352.36017	0.6
353.21506	2.0
371.22818	0.9
397.24054	1.1
415.25565	0.7
441.26929	0.7
459.27713	1.1
517.09033	0.6
523.98230	0.7
635.38104	1.1
679.40833	8.6
719.43524	1.6
871.83069	0.6
935.63672	0.8
952.67780	16.0
953.67169	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	946.5503
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	0.8
68.05015	0.8
69.03414	3.4
69.07054	0.7
69.41412	0.1
69.41826	0.4
70.02932	0.2
70.06574	0.9
71.01322	0.3
71.04977	0.3
72.04499	8.2
73.02899	7.0
74.06065	0.2
75.04453	0.1
79.05471	0.9
80.05008	0.7
81.03400	1.0
81.07036	2.1
82.02925	0.1
82.06564	0.2
83.04960	0.5
83.08615	0.4
84.04484	9.4
84.08123	0.2
85.02885	4.1
85.04779	0.1
86.03226	0.1
86.06031	0.4
87.04451	0.2
88.03963	0.3
90.05524	0.2
91.05459	1.6
91.27686	0.1
93.07024	2.6
94.06531	0.1
94.07371	0.1
95.04943	0.3
95.07964	0.1
95.08585	3.4
96.04468	4.8
97.02870	4.2
97.05313	0.1
97.10145	0.2
98.06030	2.3
98.20821	0.2
99.04418	0.5
100.03957	0.2
101.02370	0.2
102.05526	0.5
103.03909	0.3
103.05435	0.2
105.07012	1.4
107.04913	0.1
107.08566	1.9
108.04460	0.6
109.02842	0.4
109.06451	0.1
109.10136	1.5
110.06024	0.4
110.07146	0.1
111.04391	0.4
111.08072	0.1
111.11705	0.1
112.03921	0.1
114.05504	1.3
115.03898	2.3
116.07061	0.3
117.07002	0.5
117.07695	0.1
119.08558	3.0
121.10113	2.2
122.05989	0.2
122.10492	0.2
123.04413	0.1
123.08011	0.1
123.11693	0.8
124.03941	0.1
125.05930	0.1
126.05487	4.8
127.03890	3.3
128.06189	0.1
128.07022	0.2
129.05458	0.2
129.06973	0.4
131.04887	0.1
131.05768	0.1
131.08528	1.4
132.06558	0.4
133.04970	0.5
133.06403	0.2
133.10095	0.9
135.08006	0.3
135.11653	1.1
137.05945	0.2
137.09561	0.3
137.13229	0.9
138.05476	0.4
140.07027	0.2
141.06996	0.1
142.07727	0.2
143.08530	0.7
144.06529	7.1
145.04939	1.2
145.06255	0.1
145.10097	1.6
146.97292	0.1
147.04411	0.1
147.06522	0.1
147.08002	0.8
147.11652	0.8
149.05971	0.2
149.09563	0.4
149.13229	0.7
150.05484	0.2
151.03912	0.1
151.07533	0.1
153.09103	0.2
155.08546	0.3
155.11612	0.1
156.06520	0.2
156.09334	0.2
157.10089	0.9
158.08183	0.1
159.11665	0.9
161.05978	0.2
161.09557	0.2
161.13226	0.5
162.07571	100.0
163.06012	0.1
163.07924	1.1
163.14766	0.3
165.09093	1.0
165.16270	0.1
167.07152	0.1
167.08437	0.1
167.10626	0.1
168.06523	0.3
169.04898	0.1
169.10060	0.6
170.10867	0.2
171.07991	0.1
171.11674	0.7
172.12436	0.1
173.13197	0.6
174.07603	0.4
175.07539	0.2
175.14812	0.5
177.09106	0.1
177.16396	0.4
180.06534	0.1
180.06850	0.1
180.08618	1.7
181.08585	0.1
181.10045	0.1
182.10796	0.1
183.10127	0.1
183.11667	0.6
185.09564	0.1
185.13206	1.1
186.07599	0.5
187.11156	0.2
187.14783	1.5
189.09061	0.3
189.12688	0.1
189.16313	0.8
191.17902	1.6
192.06476	0.2
194.08069	0.1
195.11684	0.2
196.12596	0.1
197.09653	0.1
197.13165	0.4
198.07587	0.2
199.11063	0.1
199.14757	1.1
201.12698	0.3
201.16324	1.1
203.10266	0.5
203.14320	0.3
203.17886	0.8
204.08627	1.5
205.12222	0.1
205.19493	0.2
206.04468	0.1
207.17409	0.3
209.13170	0.1
210.07570	0.2
211.14784	0.4
212.09114	0.1
213.12749	0.2
213.16315	0.5
215.10574	0.1
215.14127	0.1
215.17885	0.2
216.08635	0.1
217.15794	0.2
217.19467	0.3
219.20998	0.1
222.07635	0.2
223.14836	0.1
225.16283	0.2
227.14313	0.2
227.17772	0.3
228.08620	0.2
229.15778	0.3
229.19438	0.1
231.13704	0.4
234.98973	0.2
237.16402	0.1
239.17863	0.4
240.08682	0.4
241.19514	0.4
243.13702	0.1
243.21065	0.1
245.15288	1.5
249.14769	0.2
251.17853	0.1
253.19463	0.3
255.20999	0.2
257.15408	0.1
257.18860	0.1
258.09686	2.6
259.16858	0.1
261.14761	0.1
263.16367	0.2
265.19284	0.1
267.21014	0.2
269.22595	0.1
275.16138	0.1
276.10712	4.3
277.11081	0.1
281.13739	0.5
283.16827	0.1
285.18561	0.2
287.20111	0.1
294.11758	29.4
295.12424	0.4
297.18414	0.2
299.14853	0.2
299.19916	0.1
312.12827	1.8
316.14581	0.1
319.24124	0.1
321.25644	0.4
322.42114	0.1
344.16919	0.4
389.31964	0.6
391.33432	1.2
392.33667	0.1
407.33044	0.8
409.34521	0.5
417.30762	0.1
425.33920	0.3
435.32510	3.1
436.32629	0.1
453.33539	4.6
454.33966	0.1
471.34277	0.3
476.21313	0.7
632.41125	0.1
764.45605	0.1
814.50787	0.5
928.53552	0.1
946.55359	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	938.6604
Annotation	Unknow
Peak:m/z	Relative Intensity
65.55278	0.6
67.05502	0.7
69.07055	1.5
70.81684	1.3
70.82030	0.6
71.04968	0.9
71.08620	35.3
73.02901	2.9
73.06543	6.7
81.07056	0.8
83.08607	1.8
85.10169	38.2
87.03987	0.4
87.04452	25.4
89.06016	100.0
91.07614	0.7
93.07009	0.8
95.08592	0.7
99.11695	3.0
103.07563	6.5
105.07007	0.9
107.07056	4.2
113.05990	2.5
115.07571	1.0
117.09115	7.5
130.08603	4.9
131.07007	8.5
133.08583	81.8
135.10130	1.0
141.16374	2.9
151.09766	0.6
157.08638	1.5
159.10216	1.3
161.11752	2.1
175.09633	7.3
177.11189	35.4
199.20512	5.4
219.12233	3.4
221.13823	7.6
222.06018	0.7
223.15425	2.1
239.14946	2.2
243.23164	5.7
245.13625	0.8
265.16510	2.4
271.39090	0.7
283.17520	3.7
309.19229	1.1
327.20044	2.4
353.21533	1.3
397.24115	1.3
441.26898	1.4
529.31866	1.0
643.24298	0.9
723.43768	5.3
763.46503	1.0
872.57837	0.8
921.62872	2.7
938.66498	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	940.5975
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	87.8
69.03431	4.3
69.07059	22.5
69.20266	18.4
71.04971	1.5
73.02913	7.5
79.05482	63.7
79.90241	1.4
81.03397	2.2
81.07046	100.0
83.04958	2.5
83.08601	10.4
84.08124	1.8
85.02891	26.7
85.06532	2.7
87.70081	1.7
91.03950	19.8
91.05468	36.3
93.07032	65.5
94.69923	1.3
95.04960	6.1
95.08595	80.0
96.04452	2.3
97.02887	16.4
97.06509	3.3
97.10143	6.1
99.04485	1.5
105.07014	33.5
106.62573	1.6
107.08578	43.6
109.02903	2.0
109.06530	2.7
109.10139	35.3
111.08076	2.4
111.11726	1.9
115.05524	1.8
117.06985	9.5
118.36641	1.3
119.08574	29.3
121.06529	1.8
121.10124	34.3
123.08054	2.1
123.11723	10.6
127.03938	7.1
129.06993	1.8
130.08650	3.0
131.08551	19.1
133.10118	24.2
135.11668	26.4
137.13234	3.3
143.08525	4.9
145.04933	9.2
145.10123	21.0
146.08145	2.4
147.11655	18.3
149.13275	14.0
151.11166	1.5
151.14774	2.1
157.10110	2.7
159.11687	17.1
161.13252	12.9
163.06000	13.8
163.14830	5.8
171.11720	4.1
173.13246	10.3
175.14795	5.6
177.12669	1.9
177.16307	1.8
183.11662	2.0
185.13289	3.8
187.14877	4.0
189.16379	2.6
201.16455	3.6
202.42047	1.5
227.17950	3.0
229.19531	4.9
231.21060	2.0
241.19553	2.7
243.21071	5.9
245.18997	5.8
247.20485	14.2
249.22171	2.2
259.20547	7.7
261.22086	17.6
263.23636	2.1
277.21518	2.2
282.46133	1.6
303.23148	2.8
317.24622	1.8
319.22745	7.2
321.24194	81.7
322.24533	3.2
323.25842	9.2
333.24423	7.9
335.25751	80.1
337.27289	11.1
433.43387	1.8
462.08817	1.5
481.64984	1.8
489.41254	2.3
503.37500	1.8
507.41925	5.4
529.38580	2.3
555.14221	1.7
581.45624	29.2
599.46570	49.4
622.98944	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	936.6809
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07037	5.2
69.48086	1.4
71.00239	2.9
71.00607	2.7
71.08618	100.0
73.06537	2.2
74.85555	1.3
81.58447	1.5
83.08603	2.9
85.10168	88.4
87.04448	21.9
89.06014	86.6
89.06487	1.4
97.10141	5.1
99.11717	19.9
99.23369	1.5
101.09599	4.8
103.07541	1.7
107.07054	2.7
111.11693	1.6
113.13229	7.8
117.09109	19.1
118.62328	1.5
124.18366	1.3
129.09186	1.3
130.08592	6.3
131.06995	6.7
133.08575	79.4
155.17912	14.5
158.11693	2.4
159.11583	1.4
161.11716	1.7
175.09624	5.5
177.11182	33.2
213.22078	29.9
216.67671	1.6
219.12238	3.6
221.13806	6.4
233.59370	1.5
239.14734	2.2
254.24731	3.9
271.26260	37.1
283.17514	4.3
309.18869	1.7
327.20016	3.6
365.82593	1.7
569.92352	1.8
591.35956	11.0
649.39703	1.9
918.06885	1.6
936.68225	18.8
937.68549	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	936.5513
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	3.9
66.08212	1.3
67.05492	56.1
69.03407	3.7
69.07053	14.0
69.87681	2.0
69.88087	7.2
70.06586	2.1
71.04968	3.5
71.08601	3.7
73.02891	2.9
75.08598	1.1
79.05480	41.5
80.05781	1.2
81.03403	80.7
81.07038	61.4
83.04953	5.2
83.08600	21.5
84.08131	1.8
85.02895	9.1
85.06514	3.0
85.10170	1.8
91.03927	5.2
91.04890	2.5
91.05465	34.4
93.07025	44.7
95.04951	30.2
95.07973	2.4
95.08590	49.9
97.02859	5.6
97.06511	4.4
97.10131	8.5
98.98408	1.6
99.08060	1.8
101.68757	1.3
105.07009	28.1
107.04290	1.3
107.04913	8.8
107.08574	27.9
109.02834	2.2
109.06496	5.3
109.10143	25.1
111.04389	1.4
111.08071	6.6
114.26200	1.5
115.05362	1.4
117.06982	7.2
119.08564	26.1
121.06472	3.9
121.10126	25.9
121.11010	1.1
123.04420	2.8
123.08033	2.4
123.11707	8.5
125.09599	6.2
127.03880	1.6
129.06985	10.5
131.08543	22.1
133.06500	3.7
133.08554	1.6
133.10085	16.0
135.08008	2.1
135.11661	15.6
137.09624	3.2
137.13254	2.4
141.06851	1.6
142.07803	1.7
143.08522	4.1
145.04871	2.3
145.10089	13.4
147.04378	1.9
147.08002	3.2
147.11664	16.3
149.09573	8.2
149.13245	8.3
151.11137	2.0
155.00961	1.9
157.10103	12.0
159.11688	9.7
161.13225	7.4
163.05986	5.8
163.11139	2.5
163.14798	4.4
165.12677	2.9
171.11671	4.4
173.13226	7.0
175.11121	6.6
175.14839	2.6
177.16351	1.5
183.11551	2.3
185.00801	1.4
185.13191	1.8
187.14839	4.2
189.11157	3.5
189.12782	1.4
193.12195	24.0
201.16429	1.9
227.12784	5.5
235.13249	2.2
243.21034	5.7
249.14838	2.7
259.13168	2.7
261.22076	19.2
267.15869	92.3
268.16159	1.8
279.23251	1.7
282.27954	4.3
284.18759	1.4
285.22083	1.6
299.23877	1.7
301.25256	6.9
309.16846	4.7
313.27325	22.0
317.24655	1.6
327.22958	1.5
335.25735	100.0
336.25940	2.1
393.19287	1.6
393.24063	2.1
403.25098	1.7
421.25641	4.5
435.27161	3.4
435.32431	4.2
436.28162	8.0
453.33502	9.2
454.29205	9.5
471.34387	4.4
509.36105	2.7
527.29236	2.0
527.37268	75.3
528.37561	4.7
545.38251	89.3
546.38654	2.9
559.39703	4.2
569.38300	11.2
587.39240	2.5
611.38983	2.7
623.38953	5.5
635.39124	5.3
650.31512	1.6
653.40173	4.0
671.41473	3.9
689.41931	1.9
807.25037	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	934.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03920	2.6
66.04703	0.4
67.05487	1.0
68.02636	0.4
68.69452	0.3
69.03413	1.0
70.06588	2.2
71.04985	0.7
72.04512	0.4
72.08138	0.9
73.02912	0.5
74.06075	0.4
75.04462	1.3
76.02212	49.8
76.03973	2.1
78.04684	1.3
79.05471	3.5
80.05032	0.5
81.03395	1.6
81.07047	0.8
82.04171	0.6
82.06538	0.4
83.04943	0.4
83.06120	0.4
84.04484	16.0
84.08139	1.1
85.02893	4.4
86.09698	0.8
86.98572	0.3
86.99020	1.9
87.04438	0.3
88.02199	0.8
89.03915	0.5
91.05454	6.1
93.03379	2.6
93.07033	2.7
95.04946	3.1
95.08597	0.7
97.02907	0.6
97.06517	1.8
97.14397	0.4
99.04451	0.6
102.04683	0.8
102.05527	0.4
103.05445	14.9
103.06131	0.8
104.05759	0.4
105.03370	1.0
105.04510	0.7
105.07008	5.7
106.04158	6.7
107.04934	6.9
107.05612	0.7
107.08521	0.6
109.02815	0.5
109.06490	1.1
110.03645	1.1
110.81618	0.3
111.04422	1.2
113.02280	0.4
114.03761	0.5
115.03951	0.3
115.05434	4.0
116.01653	13.6
117.03325	0.7
117.06989	2.7
118.04136	3.6
119.04929	2.0
119.08533	1.0
119.63045	0.3
120.05723	0.6
120.08089	0.3
121.06478	7.7
122.03637	0.4
123.02671	0.6
123.04395	3.5
124.05187	1.5
124.82040	0.4
125.05978	4.2
127.03870	0.7
128.06169	0.5
129.06950	1.2
129.10207	0.7
130.04080	1.0
130.04964	6.6
131.04903	16.4
131.08566	1.2
132.05667	1.2
133.02820	1.4
133.06477	6.2
134.03595	2.0
135.04393	1.2
135.08031	1.7
137.05963	3.7
138.03140	0.8
139.07547	0.9
141.06946	0.5
142.03264	5.8
143.04903	0.9
144.01129	8.0
144.05690	1.1
145.02811	1.0
145.06447	4.7
145.10060	0.4
146.02629	0.7
146.03622	0.5
146.07199	0.4
147.04362	1.9
147.07970	1.4
148.05165	9.7
149.02290	0.4
149.05954	11.9
150.05438	0.5
151.02063	1.1
151.03902	1.8
151.07516	1.3
152.04659	1.1
153.05441	2.5
153.09082	2.7
155.05983	0.5
157.06479	1.3
158.07182	0.5
159.04358	0.4
159.08070	1.9
160.05219	0.8
161.05946	6.7
161.07225	0.6
162.02168	24.9
162.07637	4.6
163.02396	0.4
163.03877	1.3
163.07507	18.5
165.05457	1.3
165.06868	0.4
165.09105	0.8
166.02611	0.4
166.06181	0.5
167.07002	36.1
168.07339	0.4
170.02701	2.4
171.06535	2.3
173.05963	4.3
173.09259	0.4
174.06715	0.8
175.03857	0.5
175.07524	2.8
176.04686	2.6
177.03336	1.3
177.05440	8.5
177.09094	0.9
178.06184	0.6
179.01564	1.5
179.04819	42.3
180.05321	0.5
181.04915	52.1
182.05315	1.0
185.05975	0.5
187.05350	1.5
187.07471	2.3
189.05446	1.0
189.09088	0.4
190.00757	0.9
190.06236	1.0
191.06989	66.5
192.06239	0.5
192.07607	1.5
193.04886	0.9
193.08551	1.8
195.06493	3.2
197.06039	0.4
197.07993	0.5
199.05289	0.5
201.05363	1.5
202.06271	0.5
203.05241	0.4
203.06937	2.0
205.06631	0.6
205.08470	2.5
207.06415	1.9
207.08705	1.5
207.10347	0.8
208.01865	0.4
209.08043	46.4
210.08493	1.4
211.07497	0.4
213.05350	0.5
215.04846	2.3
216.03212	0.5
217.08478	1.8
219.08104	0.6
219.10071	3.6
220.07199	0.4
221.07965	0.9
223.04185	11.8
223.07484	0.6
225.07498	0.7
225.88939	0.4
227.04886	0.4
227.06952	0.5
229.08531	0.5
231.04372	0.7
231.06473	0.6
233.05856	12.2
233.08081	3.7
234.62064	0.4
235.07458	1.0
235.09604	4.0
236.08209	0.4
237.09053	0.5
245.05832	2.3
245.08141	1.2
247.07387	0.4
249.05681	0.9
252.07776	0.6
253.08592	0.5
257.07950	0.5
263.09097	19.9
264.09641	0.5
265.08524	0.6
266.08633	0.4
267.07257	0.4
267.10007	2.5
277.05157	1.3
277.08035	0.5
279.10065	1.0
281.07883	0.7
283.09674	0.4
284.09979	0.5
287.08981	0.5
289.10532	0.4
290.07797	0.8
291.06427	1.4
294.08005	1.1
294.11761	1.0
295.09766	0.6
297.11121	1.4
299.09204	0.6
307.09650	1.0
308.09036	100.0
309.09256	2.0
315.08377	0.5
323.09161	0.4
325.10712	2.4
327.12085	0.7
329.10126	0.6
331.11905	0.4
335.08984	0.5
337.10501	1.0
339.12238	1.0
355.11563	0.7
357.13425	5.2
359.14737	1.2
367.11664	1.3
369.10626	3.1
371.14865	0.9
381.13223	0.5
385.12698	8.2
385.17462	0.4
387.14319	0.7
389.15741	0.5
399.14203	2.1
403.13766	0.4
417.15347	20.9
418.15634	1.2
423.12079	0.6
486.15457	1.0
498.15225	0.9
609.22461	0.6
776.00232	0.4
916.06494	0.4
926.31592	0.5
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
65.03900	0.9
67.05490	32.7
68.05817	0.3
69.03412	2.6
69.07054	10.6
71.04955	1.0
71.08617	19.0
71.26169	0.7
73.02905	3.2
75.04457	0.6
77.03922	0.4
78.35973	0.3
79.05476	18.8
81.03381	1.2
81.07037	41.7
82.07355	0.4
83.04959	0.8
83.08600	10.1
85.02885	16.0
85.06499	1.1
85.09647	0.7
85.10162	11.9
87.04431	0.5
89.05984	1.2
91.03936	10.1
91.04884	0.6
91.05459	10.4
93.07023	26.9
95.04947	1.9
95.08587	40.0
96.04449	0.6
97.02296	0.5
97.02874	8.2
97.06472	1.6
97.10157	5.3
99.04420	0.8
99.08039	0.8
99.11681	0.7
103.07550	0.7
105.07010	7.6
107.08569	15.4
109.02810	0.5
109.06470	0.9
109.10134	19.1
111.08053	0.9
111.11674	1.3
113.09593	0.6
115.03869	0.8
117.07005	3.1
119.07790	0.5
119.08559	7.4
119.09346	0.3
120.08830	0.3
121.10114	13.5
123.08040	0.8
123.10823	0.5
123.11679	7.3
125.09578	0.5
127.03876	4.1
131.08531	6.3
133.09122	0.5
133.10094	6.2
135.08005	0.6
135.10687	0.6
135.11667	10.1
137.09605	0.4
137.13217	2.5
143.08521	0.5
144.06522	0.4
144.61839	0.4
145.04924	5.4
145.10101	5.7
147.11650	4.6
149.13223	6.8
151.14752	1.2
159.11653	4.6
161.13217	4.1
163.05989	7.1
163.14786	4.5
171.11691	0.6
173.13205	4.3
175.14754	1.2
177.16348	1.5
180.08635	0.7
187.14798	2.6
189.16301	0.4
201.16292	0.7
205.15836	0.6
215.17938	0.4
217.19603	0.4
223.55005	0.4
233.22595	1.4
239.23686	2.5
243.21043	9.2
257.24731	1.9
261.22083	35.2
262.22556	0.9
279.23016	0.5
299.23599	0.5
313.27292	100.0
314.27798	2.0
317.24667	4.9
331.28079	0.6
335.25723	80.7
336.26038	1.8
499.44687	0.5
517.46417	0.5
573.48651	42.2
574.49316	1.9
591.49695	12.9
686.68890	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	930.613
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03949	1.9
67.05497	51.3
69.03424	2.8
69.07057	32.5
69.07410	2.3
71.04983	1.3
71.08627	3.9
71.53062	1.9
73.02908	4.8
75.57781	1.4
79.05476	30.9
81.07045	57.9
82.07398	1.6
83.04959	1.9
83.08605	19.5
83.09059	2.2
84.08134	2.7
85.02894	19.3
85.06516	2.6
85.10161	1.5
91.03942	11.6
91.05470	12.3
93.07027	42.9
95.04957	3.2
95.08593	47.1
97.02863	8.4
97.06506	2.8
97.10160	11.2
105.07014	8.2
107.08577	23.7
109.06528	1.7
109.10147	20.0
111.08107	2.9
111.11739	1.6
115.03946	1.6
117.07018	4.1
119.08561	7.1
121.10139	24.7
123.11692	9.7
125.09637	1.3
127.03902	3.5
130.08534	2.9
131.08574	6.7
133.10110	7.7
135.11674	20.0
137.13251	3.7
139.11163	1.3
145.04898	7.4
145.10159	7.2
147.11705	6.5
149.13179	8.4
159.11633	6.2
161.13228	3.4
163.05983	8.7
163.14784	5.5
173.13225	6.0
177.16365	1.7
186.42458	1.6
219.21025	1.6
237.22159	3.4
243.21066	11.5
261.22110	30.7
262.22354	1.4
309.24216	3.0
311.25772	100.0
312.26160	3.2
317.24710	5.0
335.25754	78.2
336.26129	4.1
337.27292	2.5
414.40588	1.2
497.43155	2.0
571.47150	51.2
572.47437	4.7
589.48181	29.0
590.48425	1.5
760.39880	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	930.555
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03918	0.1
67.05489	0.8
68.05006	0.6
69.03415	3.5
69.07054	0.8
70.02917	0.3
70.06582	0.9
71.01335	0.3
71.04968	0.3
72.04500	7.8
73.02901	7.0
74.06054	0.1
74.09709	0.1
75.04472	0.2
79.05473	0.9
80.05003	0.7
81.03395	1.0
81.07038	1.8
82.02911	0.1
82.06562	0.2
82.07371	0.1
83.01324	0.1
83.04964	0.5
83.08597	0.3
84.04488	8.5
84.08135	0.2
85.02885	3.9
85.04793	0.1
86.06037	0.3
87.04446	0.2
88.03974	0.2
90.05532	0.1
91.05459	1.5
93.07020	2.9
94.06523	0.1
95.04958	0.4
95.08588	3.5
96.04469	4.9
96.08905	0.1
97.02872	4.5
97.05280	0.1
97.10156	0.2
98.05402	0.1
98.06032	2.3
99.04414	0.5
100.03937	0.2
101.02338	0.2
102.05528	0.4
103.03899	0.2
103.05422	0.1
105.07011	1.1
107.07848	0.1
107.08572	2.2
108.04462	0.5
109.02856	0.3
109.06451	0.1
109.10134	1.6
110.05998	0.5
111.04387	0.4
111.08068	0.1
111.11732	0.1
112.03931	0.1
114.05499	1.3
115.03908	2.3
116.07051	0.2
117.06991	0.4
119.08556	4.2
120.04496	0.1
120.08900	0.1
121.06499	0.2
121.10120	2.6
122.06001	0.3
123.04414	0.1
123.11691	0.9
124.03910	0.1
126.05492	4.9
127.03893	3.4
127.04718	0.1
127.04887	0.1
128.06187	0.1
128.07082	0.1
129.05461	0.2
129.06934	0.2
130.08659	0.1
131.04912	0.2
131.08549	0.8
132.06544	0.3
133.04962	0.3
133.06474	0.1
133.10091	1.0
135.07986	0.1
135.11658	1.2
136.07596	0.1
137.05920	0.2
137.09586	0.3
137.13213	0.8
138.05490	0.4
140.07065	0.2
143.08492	0.4
144.06532	7.3
145.04941	1.3
145.06696	0.1
145.10088	1.5
145.11134	0.1
147.06502	0.1
147.08025	0.9
147.11662	0.9
149.09579	0.4
149.13222	1.2
150.05440	0.1
151.07518	0.1
153.09036	0.2
155.08475	0.1
156.06511	0.2
156.09267	0.1
157.10059	0.5
158.08115	0.1
159.08078	0.1
159.11659	1.0
161.13228	0.8
162.07581	100.0
163.05975	0.1
163.07924	1.3
163.11171	0.1
163.14787	0.3
165.09074	1.1
167.07117	0.1
167.10603	0.1
168.06519	0.2
169.04938	0.1
169.10062	0.2
171.11708	0.5
173.13229	0.6
174.07523	0.4
175.14766	0.4
177.16339	0.4
179.14326	0.1
180.06494	0.1
180.06874	0.1
180.08621	1.6
183.10103	0.2
183.11719	0.1
185.13217	0.4
186.07613	0.4
187.06075	0.1
187.11154	0.1
187.14790	1.6
189.09053	0.1
189.16324	1.1
191.17900	1.6
192.06519	0.1
194.08047	0.1
197.13232	0.2
198.07671	0.1
199.14775	0.6
201.16339	1.3
203.10283	0.3
203.17891	1.1
204.08627	1.6
205.15797	0.1
205.19479	0.5
207.13638	0.2
207.17268	0.1
210.07515	0.1
211.14761	0.3
212.09207	0.1
213.16353	0.9
215.14178	0.1
215.17906	0.2
216.08594	0.1
217.19376	0.4
219.13637	0.1
222.07588	0.2
225.16225	0.2
227.17926	0.2
228.08626	0.3
229.12300	0.1
229.19461	0.1
231.13766	0.2
231.17424	0.2
231.21042	0.1
233.15266	1.1
239.17879	0.3
240.08623	0.5
241.19479	0.3
243.21063	0.1
245.15283	0.3
247.16896	0.6
253.19463	0.2
255.21074	0.2
257.15244	0.1
257.22653	0.1
258.09677	2.4
259.16870	0.3
261.18552	0.1
262.21649	0.1
267.21225	0.1
269.22394	0.1
276.10736	4.3
281.13763	0.7
285.18417	0.1
287.19989	0.2
294.11765	27.3
295.12122	0.6
295.15176	0.1
299.20032	0.2
312.12793	1.6
313.21490	0.1
344.17023	0.1
391.33484	1.4
392.33826	0.2
393.35086	0.2
409.34573	1.0
411.36044	0.1
419.32947	0.1
435.32574	0.1
437.34064	6.9
438.34329	0.5
453.33862	0.1
455.35297	0.5
521.42834	0.1
560.24866	0.1
798.51184	0.6
864.47357	0.1
930.38086	0.1
930.55603	1.4
931.55286	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	930.5556
Annotation	Unknow
Peak:m/z	Relative Intensity
64.85863	0.1
65.03938	0.2
67.05488	0.8
68.05011	0.7
69.03413	3.5
69.07057	1.0
70.02948	0.2
70.06577	1.1
70.09805	0.1
70.92086	0.1
70.92416	0.2
71.01333	0.4
71.04962	0.5
72.04500	7.8
73.02901	7.6
74.06055	0.2
75.04430	0.1
79.05476	1.1
80.05001	0.7
81.03397	1.1
81.07041	2.1
82.06566	0.2
83.04965	0.6
83.08601	0.4
84.04484	9.2
84.08115	0.2
85.02884	3.9
85.04792	0.1
86.06035	0.4
86.09678	0.1
87.04444	0.3
88.03970	0.2
90.05546	0.2
91.03959	0.1
91.05453	1.7
93.07021	3.0
94.06515	0.2
94.07384	0.1
95.04938	0.4
95.08583	3.5
96.04468	5.4
97.02869	4.4
97.10158	0.2
98.06029	2.0
99.04436	0.5
100.03955	0.1
101.02331	0.2
102.05518	0.4
103.03896	0.2
103.05447	0.2
105.07015	1.5
107.04919	0.2
107.08559	2.0
108.04468	0.4
109.02866	0.5
109.06481	0.2
109.10130	1.6
110.06011	0.3
111.04392	0.5
114.05512	1.4
115.03902	2.4
116.07054	0.3
117.06984	0.4
119.08552	4.3
121.06492	0.1
121.10117	2.6
122.05991	0.2
122.10423	0.1
123.04397	0.2
123.08015	0.1
123.11662	1.0
123.22330	0.1
125.09643	0.1
126.05486	5.1
127.03886	3.1
128.06104	0.1
129.05446	0.4
129.06993	0.2
130.08618	0.2
131.04871	0.2
131.08548	0.9
132.06531	0.3
133.04933	0.4
133.10081	1.1
135.08008	0.2
135.11659	1.1
137.05890	0.2
137.09550	0.3
137.13219	0.7
138.05475	0.6
140.07051	0.2
143.08539	0.3
144.06523	7.4
145.04938	1.2
145.06810	0.1
145.10100	1.7
147.04388	0.2
147.08002	0.8
147.11676	0.8
149.09587	0.5
149.13217	1.1
150.05493	0.2
150.94431	0.1
153.09052	0.2
156.06572	0.1
157.04953	0.1
157.10040	0.6
159.11690	1.0
161.09584	0.3
161.13193	0.8
162.07574	100.0
163.06010	0.2
163.07922	1.4
163.14784	0.3
165.09065	1.2
167.07057	0.1
167.10657	0.2
168.06461	0.2
169.10152	0.1
171.11717	0.6
173.09435	0.1
173.13246	0.7
174.07594	0.4
175.14786	0.5
177.05450	0.1
177.16353	0.5
179.14287	0.2
180.06540	0.2
180.08626	1.5
182.79124	0.1
183.10220	0.1
183.11711	0.2
185.13246	0.4
186.07529	0.6
187.14771	1.8
189.16344	1.0
191.10712	0.1
191.17896	1.6
192.06473	0.2
192.18228	0.1
194.08116	0.1
197.13133	0.2
198.07643	0.2
199.14836	0.6
201.16309	1.1
202.16794	0.1
203.10225	0.2
203.17902	0.9
204.08604	1.6
205.19423	0.7
207.06438	0.1
211.14822	0.2
212.09062	0.1
213.16313	1.1
215.18005	0.3
217.19539	0.2
222.07503	0.2
225.16293	0.2
228.08644	0.2
231.13817	0.2
231.17393	0.1
233.15318	1.1
235.12660	0.1
239.17894	0.2
240.08636	0.5
241.19463	0.4
245.15315	0.4
247.16737	0.6
253.19516	0.1
256.21649	0.1
258.09674	2.0
259.16852	0.2
276.10718	3.8
281.13779	0.5
287.19931	0.2
294.11752	27.6
295.12158	0.6
295.15204	0.1
299.20111	0.2
312.12817	1.4
313.21558	0.1
391.33542	1.8
393.35162	0.2
409.34518	1.3
419.33215	0.2
435.32480	0.2
437.34055	6.6
438.34399	0.4
439.35718	0.1
453.33344	0.2
455.35056	0.4
476.21512	0.1
657.23431	0.1
685.21552	0.1
798.51544	0.6
808.11768	0.1
930.55804	1.5
931.55347	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	930.54
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05479	2.3
69.03416	23.5
69.07042	3.0
69.49621	1.4
69.50044	2.2
70.06595	1.0
71.01340	1.2
71.04975	2.0
72.04494	3.0
73.02905	19.0
79.05480	2.6
79.42976	0.4
80.79777	0.4
81.03401	6.0
81.07049	7.7
83.01314	0.6
83.04971	2.1
83.08606	1.4
84.04491	2.9
85.02888	100.0
86.09710	0.5
87.04449	3.6
91.03933	4.2
91.05468	2.4
93.07030	7.3
94.15357	0.4
95.04971	1.1
95.08588	14.2
96.04485	2.0
97.02873	46.6
97.10151	1.3
98.03208	0.5
98.21472	0.9
99.04431	4.4
101.02367	1.0
103.03934	1.7
103.05447	0.7
105.07021	3.8
107.08572	8.6
109.02856	8.6
109.06490	0.5
109.10140	9.4
111.04415	1.1
114.05515	0.5
115.03909	16.7
119.08562	7.2
121.10131	8.5
123.11681	5.5
126.05540	2.6
127.03890	32.2
129.05452	0.9
131.04919	2.9
131.08540	1.8
133.04936	17.6
133.10106	5.4
135.11670	7.7
137.13257	2.5
144.06546	2.1
145.04935	53.4
145.10066	3.2
147.11664	4.0
149.09579	0.5
149.13216	6.5
157.04903	0.5
159.11684	1.9
161.13254	2.8
162.07588	33.7
163.05983	26.7
163.14774	2.6
165.09055	0.7
168.06520	0.7
169.04918	0.8
173.13206	1.9
175.14801	3.1
177.16428	1.7
179.10693	0.5
180.08670	0.5
181.04964	0.8
181.06764	0.4
185.13281	1.0
187.14825	1.7
189.16350	7.2
191.17917	14.0
193.04965	1.6
199.06001	1.8
199.14810	0.8
201.16350	11.5
203.17909	9.9
204.08633	1.9
205.19461	6.3
207.17502	0.7
213.16301	1.3
215.17928	4.4
217.07021	2.2
217.19461	2.3
223.05965	5.2
229.19424	0.7
231.21101	0.9
233.15527	0.4
235.16927	1.5
241.07028	7.7
243.21049	1.4
245.22655	0.8
247.08173	1.2
247.16858	5.7
249.18547	1.7
250.01222	0.4
255.21126	0.6
258.09787	1.0
259.08063	20.2
261.18500	2.3
269.22552	0.6
271.08173	1.1
276.10791	1.7
277.09000	5.2
282.34708	0.5
289.09076	3.2
289.21536	0.7
294.11783	9.1
295.10187	26.5
303.17480	0.4
312.12750	0.9
325.11230	24.2
393.35034	3.5
411.35950	2.8
435.32312	0.7
437.34091	1.2
439.35651	31.1
440.35938	0.8
453.33636	1.0
466.31119	0.5
527.49048	0.5
535.38025	0.5
681.09039	0.6
930.55817	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	928.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
65.21479	0.3
66.04013	0.3
69.35698	0.8
69.36089	3.0
70.06525	0.4
72.15522	0.4
73.00467	0.3
109.06210	0.3
118.06381	0.4
120.08037	0.7
121.24223	0.4
138.05373	0.5
146.05939	0.4
159.09007	0.4
183.09048	0.4
196.09824	0.5
197.10658	0.5
208.09805	0.6
209.10541	1.0
210.11298	1.1
211.12070	0.9
212.12750	0.6
221.10555	1.0
222.11423	0.8
223.08614	0.5
223.12099	1.1
224.12929	0.6
225.13785	3.1
226.14328	1.1
231.13275	0.3
233.10599	0.4
235.08569	0.4
237.10164	0.7
237.13954	2.1
238.14555	0.7
239.15240	1.2
247.12221	0.5
249.10153	0.9
249.13673	1.0
251.08003	0.7
251.11629	0.4
263.08047	0.4
265.13138	0.4
269.12561	0.8
270.13330	0.5
275.15332	0.8
276.08496	0.4
276.16080	0.5
277.09482	0.9
298.13089	0.5
301.29233	0.4
309.12064	0.7
312.11273	0.4
324.11087	0.5
326.92456	0.4
328.14240	0.5
337.11697	1.0
338.12827	0.8
350.16431	0.4
351.13480	0.5
352.14328	0.6
353.15277	0.4
366.15933	0.9
368.13623	0.6
382.15298	0.6
390.35715	0.4
396.13068	1.0
402.18484	0.6
403.19189	0.8
412.16913	0.4
414.03137	0.4
416.15967	0.9
417.16833	1.1
417.21176	0.9
426.18155	0.6
429.16998	1.4
430.17917	1.0
431.17587	2.6
431.22968	1.1
432.18802	0.7
433.20190	1.3
442.18597	0.6
443.18738	1.2
444.19360	1.1
445.20062	1.6
446.20895	2.0
447.21494	3.1
454.17310	1.2
457.16486	1.1
458.21362	0.5
459.22443	3.2
460.22708	0.8
461.23563	0.7
471.17886	0.6
472.18649	0.8
473.19528	1.3
474.20279	1.2
475.21320	4.0
476.21890	0.7
486.20447	0.6
487.21362	6.9
488.21988	0.4
501.23010	3.5
502.20370	1.5
503.20444	1.5
513.22961	0.6
515.20728	2.7
516.20844	0.5
519.24182	2.3
529.22369	3.9
530.22253	0.5
531.19836	0.6
532.20911	0.5
533.25458	3.5
534.23279	0.6
535.23419	1.3
546.22144	0.5
547.22974	1.6
561.24860	57.1
562.25244	2.9
563.26843	0.5
589.24353	27.3
590.24939	1.3
621.26971	100.0
622.27478	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	926.4722
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03914	0.2
67.05476	0.7
68.05009	0.9
69.03413	14.6
69.07040	0.6
70.06574	1.8
71.01337	0.9
71.04969	0.5
71.55624	0.4
72.04499	7.7
72.08121	0.3
73.02902	15.6
75.04465	0.2
79.05461	0.7
80.04991	0.8
81.03404	1.7
81.07052	1.6
81.48875	0.2
83.01346	0.2
83.04941	0.6
83.08580	0.3
84.04485	10.0
84.08112	0.5
85.02885	8.7
85.03310	0.2
85.03414	0.3
85.06507	0.3
86.06049	0.4
86.09672	0.3
87.04438	2.6
88.03944	0.4
89.05988	0.3
91.03896	0.3
91.05446	0.9
93.03351	0.2
93.07020	1.5
94.06535	0.3
95.04949	0.7
95.08592	2.2
96.03877	0.4
96.04473	5.5
97.02869	21.5
97.06490	0.2
97.72570	0.2
98.06035	2.4
99.04434	2.7
100.07595	0.3
101.02368	0.5
102.05502	0.6
103.03915	1.0
103.05392	0.3
105.07011	1.5
107.04915	0.5
107.08550	1.3
108.04430	0.6
109.02858	0.8
109.06478	0.4
109.10123	1.2
110.06006	0.7
110.07133	0.3
111.04395	0.6
114.05508	1.9
115.03905	12.3
116.07075	0.4
117.05462	0.8
117.06990	0.2
119.04912	0.5
119.08540	1.1
120.08041	0.3
121.06480	0.4
121.10121	1.4
122.05972	0.5
123.04388	0.5
123.11657	0.7
126.05489	7.9
127.03883	3.7
127.19761	0.2
129.05466	0.2
129.06937	0.2
130.08632	0.2
131.04871	0.4
131.08513	0.5
132.06549	0.6
133.04930	4.5
133.10112	0.9
135.04424	0.3
135.07974	0.2
135.11649	0.6
136.07562	0.4
137.02324	0.2
137.05942	1.6
137.13223	0.8
138.05470	0.8
139.03856	0.8
140.07022	0.4
141.05399	0.2
143.03368	1.1
143.08508	0.4
144.06529	7.0
145.02826	0.4
145.04950	1.3
145.10081	0.8
147.04382	0.7
147.11650	0.8
149.04419	0.4
149.05988	0.4
149.13213	0.6
150.05470	0.5
151.03854	0.5
151.07477	0.3
153.05458	0.2
155.08527	0.5
156.06601	0.3
157.04959	0.9
157.10085	0.8
159.11685	0.7
161.05925	0.4
161.09550	0.3
161.13216	0.5
162.07578	100.0
163.03900	0.3
163.07982	1.2
163.14784	0.5
164.06987	0.4
165.05440	0.5
167.06982	0.7
168.06509	0.5
169.04941	0.3
169.10078	0.7
171.11670	0.9
173.13249	0.5
174.07616	0.7
175.06018	0.4
175.07570	0.2
175.14746	0.3
177.05383	0.9
177.16415	0.2
179.06953	0.3
179.14236	0.5
180.06613	0.3
180.08641	1.6
181.04897	0.6
181.08430	0.2
181.10112	0.3
183.11685	0.7
185.13197	0.6
186.07608	0.8
187.07503	0.2
187.14754	0.2
189.12825	0.2
189.16321	0.6
191.06979	0.6
191.14336	1.0
191.17937	0.4
193.05017	0.4
194.08151	0.2
195.11703	0.4
197.13193	0.5
198.07564	0.6
199.06062	0.3
199.14877	0.3
201.16422	0.2
203.10225	0.4
204.06668	0.3
204.08626	4.1
207.06433	0.3
209.08022	0.3
210.07643	0.3
211.05974	4.7
211.14799	0.5
212.09219	0.3
213.16273	0.3
215.10616	0.3
216.08656	0.4
222.07695	0.2
223.14731	0.3
225.16400	0.4
228.08604	0.5
229.07001	2.4
237.16193	0.3
239.17921	0.3
240.08684	0.7
247.07979	1.0
258.09698	3.7
265.09113	0.5
276.10715	6.5
285.12061	0.2
294.11761	32.8
295.12180	0.7
297.10880	0.2
303.15973	0.3
312.12869	0.7
315.15833	0.5
327.15973	0.2
329.17435	0.3
333.17029	0.3
336.12848	1.7
343.18839	0.6
390.13889	1.0
408.14990	1.8
426.15961	33.8
427.16287	1.4
444.16891	0.9
450.08386	0.2
453.33359	0.2
456.17096	0.2
465.29971	3.2
483.30981	4.5
501.31924	0.4
662.38922	1.2
794.42261	0.9
926.47327	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	922.6653
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	1.1
69.07052	2.4
69.46033	3.6
70.28790	0.6
71.04981	0.6
71.08620	76.2
73.02905	2.1
73.06546	4.1
76.41116	0.5
81.07066	0.8
83.08616	1.6
83.87976	0.4
85.06535	0.8
85.10168	67.5
86.10501	0.7
87.03913	1.1
87.04453	24.4
89.06015	100.0
90.06353	0.6
91.07584	0.7
95.08577	0.5
97.10143	2.4
97.87834	0.5
98.20995	1.8
99.11715	12.8
101.05975	0.8
101.09638	0.9
103.07565	1.0
107.07056	3.5
111.11712	0.9
113.05997	2.4
113.13266	4.9
115.07549	0.8
117.09107	10.3
129.09097	0.5
130.08603	5.8
131.07021	8.4
133.08582	87.5
135.10155	1.2
147.10155	1.2
155.17905	8.9
157.08525	0.7
159.10104	1.0
161.11688	1.9
173.11717	0.6
175.09631	6.7
177.11188	40.2
179.12816	0.7
191.12720	1.0
193.10670	0.6
195.12256	0.8
213.22095	19.2
213.63043	0.5
219.12216	3.5
221.13809	7.6
223.15378	1.5
229.21597	0.5
237.13373	0.8
239.14851	2.3
254.24667	1.8
265.16425	1.6
267.18213	0.6
271.26254	10.3
283.17453	3.6
299.02188	0.5
309.18896	2.1
327.19952	2.6
353.21582	1.5
371.22705	1.4
397.24130	1.4
407.67404	0.5
415.25125	1.2
441.26563	0.6
462.53070	0.5
503.30075	0.9
547.32721	0.7
591.35864	1.2
617.36609	0.8
635.38452	11.5
655.92615	0.5
675.40967	1.8
689.91461	0.5
693.40265	0.6
905.63257	1.2
922.66547	15.9
923.66772	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	922.6656
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	1.1
69.03384	0.8
69.07043	2.6
71.08620	100.0
71.53385	1.9
73.02897	2.0
73.06536	2.7
75.77637	0.8
77.70160	1.0
81.07027	1.1
83.08165	0.9
83.08587	4.8
85.10168	99.1
86.10523	0.8
87.04455	20.3
89.06016	83.8
89.40717	0.8
92.42667	0.7
93.07024	1.0
93.18284	0.8
97.10175	2.0
99.11720	10.7
100.07537	0.8
101.09642	2.9
103.07589	1.7
107.07043	3.2
111.11736	1.0
117.09111	18.6
123.11639	0.9
129.09074	1.0
130.08615	5.8
131.07028	6.2
133.08582	66.8
135.10162	1.0
141.16356	13.1
158.11769	1.2
161.11710	1.7
175.09653	6.1
177.11194	29.3
184.07347	1.2
199.20546	27.8
219.12241	3.0
221.13766	5.5
239.14876	1.8
240.23138	2.4
257.24728	33.6
258.25131	0.9
263.15021	1.0
265.16373	1.3
283.17471	3.1
291.06915	0.9
309.18951	2.1
315.28912	1.0
327.20032	2.0
358.33057	1.0
441.26923	1.3
459.28357	1.4
591.35846	11.0
627.62946	1.0
631.38580	2.7
649.40009	2.2
922.50146	1.7
922.66644	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	922.5351
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03920	1.6
67.05493	65.9
68.05833	1.1
69.03405	4.6
69.07053	15.4
69.71670	6.9
71.04970	3.8
73.02895	3.0
77.96322	1.0
79.05482	47.9
81.03404	81.5
81.07042	66.5
81.95741	1.2
83.04977	5.7
83.08610	24.1
84.08137	1.1
85.02890	9.8
85.06517	2.0
91.03941	6.7
91.05464	38.5
93.07027	51.3
95.04359	2.0
95.04954	32.9
95.08589	46.6
96.08911	1.2
97.02857	7.5
97.05979	1.0
97.06523	5.8
97.10175	8.8
98.21427	1.9
99.08065	2.3
105.07014	30.4
105.08627	1.0
107.04942	8.2
107.08575	31.6
109.06482	5.0
109.10136	24.8
110.07134	1.2
111.04447	2.2
111.08054	8.0
117.07006	10.4
119.08562	29.1
121.06481	5.2
121.10116	29.2
123.04422	3.9
123.08038	3.9
123.11702	9.3
125.09604	6.6
127.03895	3.7
129.06978	13.4
130.08640	1.5
131.08549	21.0
132.41263	1.2
133.06490	3.4
133.10114	18.0
135.08052	3.2
135.11681	17.2
137.06058	1.1
137.09575	3.5
137.13182	2.5
139.11121	1.8
142.07736	2.1
143.08528	4.0
145.04932	2.7
145.10101	14.0
147.04338	2.5
147.08006	4.6
147.11655	17.3
149.09616	8.7
149.13249	7.2
151.11115	1.6
155.08554	1.7
157.10098	12.2
159.08041	1.5
159.11649	9.8
161.09596	1.4
161.13240	5.7
163.05923	5.0
163.11203	2.8
163.14810	4.3
165.12733	2.0
169.10048	1.8
171.11685	2.4
173.09528	1.0
173.13190	6.9
175.11142	7.8
175.14841	2.6
177.16359	1.2
183.11647	1.4
185.13237	2.2
187.14822	4.4
189.11154	2.8
189.12679	1.9
190.14499	1.1
193.12210	22.2
193.13852	1.6
199.14790	1.4
201.16437	2.0
211.13139	2.1
215.17957	1.3
223.13159	1.3
227.12666	6.6
229.14232	1.4
231.13660	1.2
235.13268	2.1
243.20990	5.3
249.14819	3.1
259.13147	1.2
261.22110	22.2
267.15872	86.7
273.14731	1.7
279.23230	1.6
285.16879	1.9
285.22021	2.1
287.23428	1.4
301.14221	2.0
301.25250	5.3
307.18939	1.1
309.16992	5.4
317.24603	3.8
333.16870	1.3
333.24014	1.8
335.25745	98.1
337.16092	1.3
356.83704	1.2
417.25891	1.2
421.25589	4.2
435.27295	3.8
435.32803	5.5
453.33569	8.5
471.34665	5.0
475.30597	1.4
509.36484	1.9
527.37262	77.5
528.37567	3.4
530.90448	1.2
537.15894	1.1
545.38281	100.0
546.38599	3.5
563.39392	6.2
569.31451	1.2
569.38409	13.3
587.39288	2.5
611.39246	2.7
623.39001	2.8
628.45056	1.3
635.39233	5.1
653.40411	5.9
671.41400	2.6
922.48267	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5561
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03917	1.3
67.05494	41.4
69.03430	2.0
69.07056	6.6
70.66707	0.5
71.04982	13.2
71.08613	0.6
73.02895	1.9
77.03909	0.5
79.05480	21.4
81.03395	1.3
81.07041	58.2
82.07367	0.6
83.04967	2.7
83.08598	5.9
85.02892	6.8
85.06533	5.7
87.04444	0.6
91.03944	4.1
91.05463	17.1
91.77042	0.3
93.07027	24.8
95.04956	2.4
95.08589	17.6
96.04508	0.3
97.02863	3.5
97.03429	0.3
97.06509	3.1
97.10159	1.9
99.04430	0.8
99.08084	0.7
101.06066	0.4
105.04516	0.3
105.07013	9.8
107.04918	0.4
107.08571	13.1
109.02875	0.4
109.06506	1.4
109.10137	9.2
110.10524	0.3
111.08070	1.0
113.06036	0.3
117.07018	3.3
119.08559	6.6
119.09372	0.5
121.06459	0.3
121.10123	11.0
123.08009	0.5
123.11687	8.2
123.12586	0.6
125.09644	0.5
127.03908	1.8
129.05489	0.4
129.06995	0.5
131.08545	4.9
133.10106	13.9
135.04402	0.3
135.11673	6.4
137.09663	0.4
137.13240	0.4
139.11151	0.4
143.08540	0.6
145.04936	1.9
145.10094	2.8
147.11658	3.5
149.13214	5.0
151.11150	4.3
153.12714	0.3
157.10110	0.5
159.11661	5.1
161.13237	1.8
162.07553	0.4
163.05978	2.1
163.11191	0.4
163.14828	0.8
169.12227	1.3
171.11688	0.7
173.04410	0.5
173.13268	1.7
175.14813	0.8
177.12643	1.4
177.16367	0.3
179.14308	0.5
181.12100	0.3
183.13754	2.1
185.13309	0.5
187.13266	3.0
187.14790	0.7
189.16441	0.3
195.13843	1.0
197.13248	0.3
199.14713	0.3
201.16278	0.4
213.18628	0.3
227.16403	0.9
243.15836	0.6
243.21120	0.6
257.17453	1.0
259.20660	0.5
261.22031	1.4
269.17401	4.6
283.19244	0.3
299.18430	0.3
301.20013	9.4
317.24649	0.7
333.24231	0.5
335.25742	20.3
393.31210	0.4
411.32202	0.4
437.34027	0.7
445.24176	0.8
455.35147	0.5
485.36255	2.2
503.37225	61.0
504.37820	1.6
506.55356	0.3
511.37857	1.1
517.38800	1.9
529.38824	15.5
547.39801	1.2
561.41406	100.0
562.41699	3.3
647.41095	0.8
673.42999	1.1
691.43628	0.5
705.45770	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	920.5553
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	1.7
67.05490	59.5
69.03429	3.1
69.07052	11.2
69.24517	1.9
69.24942	4.4
71.04979	19.0
71.08621	0.6
73.02902	3.4
73.06534	0.7
79.05475	30.4
79.40538	0.7
81.03386	1.4
81.07037	88.9
82.07349	1.7
83.04968	4.1
83.08595	7.5
84.08109	0.7
85.02885	11.6
85.06518	8.6
87.04452	0.9
91.03942	8.3
91.05460	25.9
92.05785	0.6
93.07021	36.0
94.07368	0.7
95.04959	4.0
95.08587	25.3
97.02869	7.0
97.06503	5.4
97.10122	2.9
98.21205	2.3
99.04443	1.0
99.08088	1.3
105.07007	17.4
105.07675	1.2
107.08567	20.3
109.02882	0.8
109.06494	2.1
109.10132	14.0
111.08044	2.1
115.03872	0.7
116.01826	0.5
116.40776	0.5
117.06985	5.3
117.92561	0.5
119.08540	8.4
121.10120	16.9
123.08095	0.9
123.11669	13.8
125.09601	1.2
126.61480	0.5
127.03866	3.5
129.06982	0.6
131.08543	9.5
133.10101	21.9
134.10545	0.5
134.98163	0.7
135.07933	1.0
135.11665	10.8
139.11133	0.6
143.08514	1.4
145.04897	2.8
145.10074	5.4
147.11667	4.3
149.13216	7.8
151.11145	6.7
153.12694	1.1
155.08556	0.9
157.10049	1.3
159.11661	7.1
161.13214	3.0
163.05981	3.0
163.14807	1.6
165.12755	0.7
169.12250	1.2
171.11646	1.7
173.13257	2.4
175.14841	1.1
177.12717	2.0
179.14256	0.5
180.08633	0.7
183.13708	3.3
185.13203	1.1
187.13293	4.0
187.14809	1.5
195.13786	1.9
197.13165	0.7
199.14819	1.1
227.16435	2.3
230.64406	0.6
240.21631	0.6
243.15831	1.2
243.21158	0.7
253.17897	1.0
257.17535	1.7
259.20755	1.2
261.22144	2.5
269.17371	5.1
285.16693	0.6
292.19135	1.1
301.20035	19.7
301.23489	1.0
317.24716	1.1
335.25723	19.5
336.25681	0.7
377.26581	0.7
393.31140	1.0
411.32483	2.0
429.33777	0.8
437.33997	2.3
445.24261	1.1
455.35233	0.7
471.24658	0.8
472.25238	0.9
485.36215	3.9
503.37204	74.0
504.37677	3.5
511.37833	3.3
517.38745	2.4
529.38782	33.5
530.39240	1.5
547.39978	1.9
561.41376	100.0
562.41809	5.2
673.43317	0.7
705.45349	1.5
920.61096	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	912.5071
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05479	0.6
68.05008	0.6
68.93123	0.1
69.03417	2.9
69.07059	0.8
69.49270	1.0
70.06580	0.9
71.01322	0.3
71.04991	0.2
72.04504	7.7
73.02903	7.5
75.43110	0.1
79.05477	0.5
80.05000	0.7
81.03409	0.8
81.07041	2.2
83.01301	0.2
83.04958	0.4
83.08598	0.5
84.04488	8.3
84.08099	0.1
85.02891	3.1
86.06051	0.5
87.04459	0.1
88.03965	0.4
91.05448	0.7
93.07018	1.2
95.04914	0.3
95.07980	0.2
95.08596	3.0
96.04475	5.1
97.02872	3.9
97.10194	0.1
98.06026	2.0
99.04417	0.4
100.03958	0.2
101.02335	0.1
102.05504	0.4
103.03898	0.2
103.05435	1.2
105.07027	1.1
107.08576	1.8
108.04475	0.7
109.02843	0.4
109.10152	1.4
110.06030	0.4
111.04403	0.2
111.11700	0.2
113.92554	0.1
113.93380	0.1
114.05503	1.4
115.03918	2.0
116.07069	0.3
117.06994	0.2
119.08565	1.7
121.06429	0.2
121.10135	1.6
122.06019	0.5
123.04397	0.2
123.11671	0.9
123.65236	0.1
124.03884	0.2
126.05497	5.5
127.03902	3.0
128.06190	0.2
129.05551	0.1
129.06970	0.1
130.68518	0.1
131.04906	3.9
131.08553	1.1
132.06529	0.2
133.04936	0.4
133.06429	0.2
133.10110	1.0
135.08014	0.2
135.11682	1.1
137.05956	0.2
137.13261	1.0
138.05486	0.4
140.06970	0.1
142.07762	0.2
143.08543	0.8
144.06537	7.1
145.04927	1.2
145.06531	0.2
145.10092	1.3
147.07986	0.2
147.11668	0.8
147.26369	0.1
149.05998	0.3
149.13219	0.7
150.05447	0.2
155.08542	0.3
156.06480	0.2
157.10083	0.9
159.11693	0.9
161.05716	0.1
161.13271	0.6
162.07585	100.0
163.07927	1.2
163.14778	0.4
163.66472	0.1
168.06538	0.3
169.10153	0.3
170.10846	0.3
171.11681	0.7
173.13280	0.7
174.07573	0.4
175.07518	0.2
175.11105	0.1
175.14810	0.5
176.07001	0.1
177.16365	0.3
180.06549	0.1
180.07118	0.2
180.08615	1.6
183.11696	0.4
185.09567	0.1
185.13179	1.0
186.07571	0.5
187.11223	0.3
187.14812	1.4
189.12729	0.1
189.16360	0.6
191.17924	1.5
192.06467	0.2
195.11734	0.2
197.13202	0.3
199.14796	1.1
201.12721	0.4
201.16377	0.9
203.10397	0.6
203.14301	0.3
203.17926	0.9
204.08601	1.3
205.19365	0.2
207.17421	0.3
210.07458	0.2
211.14819	0.3
212.09137	0.2
213.12759	0.2
213.16347	0.4
215.14220	0.2
215.17857	0.2
217.15860	0.2
217.19540	0.3
222.07448	0.2
223.14923	0.2
225.16394	0.2
227.14340	0.3
227.17831	0.2
228.08742	0.2
229.15866	0.3
229.19516	0.1
231.13771	0.2
239.17860	0.3
240.08661	0.4
243.13806	0.3
245.15323	1.8
251.17989	0.2
253.19357	0.2
255.21051	0.1
257.15286	0.2
258.09686	2.1
259.16827	0.3
274.27386	0.2
276.10742	4.1
294.11774	29.1
295.12119	0.5
297.18417	0.3
299.19934	0.1
312.12759	1.5
389.31958	0.5
391.33701	0.7
407.33203	1.0
409.34668	0.5
425.34189	0.2
435.32483	3.4
436.33087	0.3
453.33572	3.5
454.33966	0.2
471.34683	0.2
583.37158	0.2
689.48273	0.1
780.46039	0.2
912.51013	0.8
920.84235	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	912.5071
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03917	0.2
66.94339	0.1
67.05489	0.8
68.04999	0.6
69.03072	0.3
69.03414	3.7
69.07037	0.8
70.02908	0.3
70.06571	1.4
71.01321	0.5
71.04976	0.3
71.54350	0.3
72.04502	8.0
72.08115	0.2
73.02902	8.0
79.05470	0.8
80.04980	0.8
81.03392	1.2
81.07037	2.2
83.04953	0.5
83.08592	0.4
84.04485	9.3
84.08117	0.4
85.02419	0.2
85.02891	3.9
86.06036	0.3
86.09677	0.4
87.04448	0.3
88.03961	0.3
90.05517	0.2
91.05456	1.1
93.07021	1.7
94.06546	0.2
95.04938	0.5
95.08588	3.2
96.04471	5.4
97.02869	4.7
97.06488	0.2
98.06029	2.7
99.04443	0.6
99.82294	0.1
100.03937	0.3
101.02379	0.2
102.05518	0.4
103.03927	0.3
103.05450	1.5
105.06996	1.4
107.08572	1.9
108.04441	0.6
108.08900	0.2
109.02815	0.4
109.06493	0.1
109.10136	1.5
110.06014	0.3
111.04418	0.4
114.05508	1.4
115.03904	2.6
116.07088	0.4
117.06957	0.3
119.04880	0.2
119.08546	1.9
120.08082	0.2
121.10124	1.5
122.05991	0.3
123.11669	0.8
126.04548	0.3
126.05486	6.0
127.03888	3.1
129.05493	0.2
129.06967	0.4
130.07767	0.2
131.04887	3.0
131.05809	0.3
131.08517	1.1
132.06529	0.4
133.04964	0.3
133.06439	0.2
133.10086	0.9
135.11653	1.0
137.05945	0.6
137.13219	1.1
138.05464	0.6
140.07028	0.2
142.07671	0.2
143.08556	0.6
144.06528	7.4
144.09303	0.2
145.04939	1.1
145.10088	1.6
147.04391	0.2
147.07973	0.4
147.11661	0.9
149.05956	0.4
149.13206	0.7
150.05470	0.2
151.07495	0.2
153.05431	0.2
155.08487	0.2
156.06487	0.2
156.09277	0.2
157.10106	0.8
159.08061	0.2
159.11650	0.9
161.09624	0.2
161.13249	0.5
162.07578	100.0
163.07924	0.9
163.14760	0.3
165.05449	0.2
165.09055	0.3
167.07034	0.6
168.06500	0.3
169.10109	0.5
170.10889	0.3
171.11653	0.6
173.13181	0.6
174.07616	0.3
175.07513	0.4
175.14777	0.3
177.05428	0.3
177.16304	0.4
179.07053	0.3
180.06560	0.1
180.07079	0.2
180.08633	1.7
183.11617	0.3
185.09558	0.2
185.13217	1.1
186.07607	0.5
187.11153	0.3
187.14833	1.0
189.09067	0.2
189.16354	0.6
191.17905	1.3
197.13251	0.3
198.07654	0.2
199.14731	1.1
201.16280	1.2
203.10472	0.2
203.14243	0.3
203.17900	0.8
204.08629	1.7
205.19469	0.5
207.06569	0.3
207.17371	0.2
209.13144	0.2
210.07567	0.2
211.14728	0.3
212.09151	0.2
213.16330	0.6
215.17932	0.3
216.08530	0.2
217.19469	0.2
225.16328	0.2
227.14392	0.2
227.17789	0.3
228.08624	0.3
229.15820	0.3
231.13736	0.4
240.08582	0.6
245.15291	1.3
249.14908	0.2
257.15283	0.2
258.09665	2.2
275.19772	0.1
276.10703	4.2
287.19839	0.2
294.11761	27.8
295.12109	0.5
312.12793	1.5
325.17621	0.2
371.26004	0.2
389.31857	0.5
391.33560	0.5
407.33096	0.9
409.34555	0.4
417.31610	0.2
425.33786	0.3
426.15970	0.5
435.32526	2.9
440.18149	0.2
453.33575	3.8
471.35828	0.2
583.37744	0.2
912.51349	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	912.5086
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05480	0.9
68.04999	0.9
69.03416	4.5
69.07066	1.0
70.06575	1.8
71.01335	0.4
71.04970	0.7
71.52699	0.4
72.04499	7.6
73.02903	8.8
73.39362	0.2
75.04436	0.2
79.05481	1.0
80.04980	0.7
81.03395	1.1
81.06577	0.2
81.07032	2.6
83.04948	0.8
83.08581	0.5
84.04488	10.2
84.08115	0.3
85.02884	4.0
85.06571	0.2
86.06044	0.2
87.04442	0.3
88.03954	0.3
91.05459	1.1
93.07031	1.7
95.04916	0.4
95.08585	3.3
96.04470	5.5
97.02869	4.9
97.10101	0.2
98.06028	2.3
99.04416	0.6
100.03956	0.2
102.05508	0.5
103.03915	0.4
103.05460	1.5
105.07012	1.7
107.04926	0.3
107.08566	2.0
108.04428	0.6
109.02846	0.8
109.06496	0.2
109.10139	1.8
110.05995	0.4
110.96137	0.2
111.04377	0.6
114.05499	1.4
115.03907	2.9
116.07119	0.4
117.07005	0.7
119.07784	0.3
119.08558	2.1
121.06461	0.2
121.10124	1.7
122.05972	0.5
123.08051	0.2
123.11663	1.0
126.05494	6.2
126.73059	0.2
127.03895	3.5
129.05437	0.2
129.06972	0.3
130.08629	0.2
131.04901	3.2
131.08519	1.5
132.06548	0.4
133.04950	0.7
133.10101	1.4
135.08015	0.3
135.11658	1.1
137.05943	0.7
137.13222	0.8
138.05484	0.6
140.07027	0.2
142.07756	0.3
143.08536	0.8
144.06531	7.7
145.04926	0.8
145.10078	1.8
147.07976	0.5
147.11647	0.7
149.05951	0.7
149.09531	0.3
149.13191	0.5
150.05498	0.4
155.08514	0.2
156.09274	0.2
157.10072	1.1
159.11696	1.1
161.05869	0.2
161.09575	0.3
161.13226	0.6
162.07579	100.0
163.07936	1.7
163.11195	0.3
165.09041	0.3
167.07060	0.5
168.06474	0.3
169.10109	0.4
170.10939	0.3
171.11632	1.0
173.13235	0.8
174.07565	0.5
175.07483	0.4
175.14755	0.4
177.05415	0.4
180.08604	1.6
181.10062	0.2
183.11685	0.3
185.13222	1.0
186.07602	0.6
187.11174	0.3
187.14792	1.2
189.09015	0.2
189.16341	0.9
191.17850	1.1
192.06512	0.3
195.11617	0.2
197.13229	0.4
199.14796	0.9
201.16331	1.0
203.10320	0.2
203.14328	0.3
203.17940	0.8
204.08566	1.2
205.19455	0.4
207.06483	0.3
211.14745	0.3
213.16435	0.4
215.17960	0.2
217.19553	0.3
222.07678	0.2
223.14777	0.2
227.17841	0.4
228.08611	0.3
231.13683	0.2
240.08626	0.5
241.19336	0.3
245.15297	1.0
251.17805	0.3
255.20976	0.3
258.09708	2.4
276.10733	4.2
285.18256	0.3
294.11774	28.6
295.12207	0.5
312.12930	1.2
345.14389	0.2
389.32065	0.5
391.33359	0.6
407.33432	0.9
409.34613	0.4
417.31744	0.2
426.15985	0.7
435.32510	3.0
453.33560	3.4
519.95947	0.2
669.80017	0.2
774.92529	0.2
823.23450	0.2
912.50714	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	909.4798
Annotation	Unknow
Peak:m/z	Relative Intensity
66.61752	0.4
66.67009	0.4
67.05494	3.2
69.03410	3.8
69.07065	0.6
71.01350	0.6
71.04984	0.7
71.08628	0.4
73.02905	5.0
79.05478	2.1
81.03397	2.1
81.07034	3.7
83.08627	0.7
85.02887	6.8
85.80622	0.4
86.09714	0.4
87.04433	0.4
89.06042	0.4
91.03944	4.3
91.05476	1.3
93.07020	2.2
95.08581	2.8
97.02879	5.8
99.04446	0.8
105.07047	1.1
107.08592	1.3
107.13548	0.4
109.02869	1.1
109.10163	0.7
115.03915	0.8
117.07012	0.4
119.08592	1.4
121.10154	1.0
123.11711	0.6
127.03922	1.7
131.08556	0.4
133.08609	0.5
133.10184	0.4
135.11714	0.8
145.05003	0.6
147.11670	1.8
149.13220	0.6
165.12738	0.6
185.04210	0.8
203.05275	0.8
213.18091	0.3
243.08450	1.4
251.12566	1.0
259.08011	0.5
267.15738	0.4
297.15955	0.4
311.07028	0.4
335.25677	1.1
347.09402	2.8
365.10526	1.7
405.13535	4.3
425.21210	0.5
469.20377	7.3
519.29211	6.7
520.29266	0.5
571.53003	0.4
631.25317	3.8
681.34479	7.4
747.42401	2.4
909.47919	100.0
910.48175	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	912.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07004	0.5
70.02880	0.8
70.03207	0.5
71.55175	0.7
76.03938	1.0
79.09982	0.4
84.04404	1.4
86.09608	0.5
89.56176	0.4
95.17873	0.4
99.05474	1.7
125.07038	0.6
130.04910	0.8
145.05960	1.5
159.02103	0.6
169.05928	0.6
177.03162	1.3
185.03720	0.5
288.06360	1.2
307.28119	0.5
312.15012	0.5
386.18250	0.4
389.17465	0.7
401.17477	0.8
402.18027	1.0
403.19284	2.2
404.19943	0.7
405.20544	0.7
415.19513	0.6
416.19797	1.4
417.20773	3.9
418.21405	2.2
420.22699	0.7
429.16937	1.8
430.17087	0.8
430.22296	0.8
431.17618	5.0
431.22977	2.0
432.23264	1.1
433.23828	10.1
434.24387	0.9
443.17978	0.9
444.18985	5.1
445.19543	8.2
446.20361	3.6
457.20392	0.7
458.21008	1.3
459.21692	71.8
460.22336	16.9
461.23306	8.6
464.20499	0.5
471.21021	0.6
472.22202	0.5
473.23532	4.4
475.20825	0.5
476.21936	1.1
477.17160	0.9
487.19901	0.9
487.24823	2.8
488.25446	0.7
491.18323	0.7
491.24438	1.2
492.19168	0.8
492.25467	0.7
493.20667	0.7
501.22433	0.5
503.24622	0.9
505.25720	2.4
515.24359	0.5
517.22223	0.6
519.23615	15.1
520.24011	0.7
531.23749	4.3
532.24579	1.1
533.25385	0.8
535.27875	0.5
545.25134	1.3
546.26172	4.9
547.26929	49.8
548.27411	4.7
551.21161	1.2
559.23578	0.6
563.26758	2.0
573.25024	1.2
574.25610	6.2
575.26349	2.5
576.23358	1.0
577.24109	1.4
579.23938	5.1
580.24408	0.5
591.25977	4.4
592.26349	0.5
605.27325	1.6
606.28253	100.0
607.28992	76.0
608.29633	5.6
639.26251	4.0
766.19373	0.5
783.31268	4.7
880.32617	1.8
912.35687	21.1
913.36816	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	908.6498
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	0.9
69.07052	2.8
69.17457	1.2
69.17851	7.0
71.04984	0.6
71.08618	79.7
72.08952	1.4
73.02895	2.5
73.06544	4.9
74.02034	0.6
74.30431	0.5
81.07026	0.8
83.08618	2.9
85.10167	76.5
86.10513	1.0
87.04458	23.7
89.06014	100.0
90.06345	1.3
95.04940	1.0
95.08593	0.9
97.10138	1.4
98.20759	0.9
99.11716	9.5
101.06001	0.8
101.09654	1.7
103.07561	1.1
107.07040	4.0
107.08567	0.6
111.11669	0.8
113.05966	1.1
115.07607	1.1
117.09111	8.5
125.13316	0.6
129.09195	1.5
130.08627	6.9
131.07008	8.7
133.08580	83.1
134.08926	1.0
135.10165	1.2
141.16354	8.9
147.10123	0.8
159.10190	1.2
161.11720	2.1
167.20395	0.7
173.11783	1.2
175.09619	6.2
177.11198	36.8
193.10661	0.7
199.20540	22.6
219.12308	3.2
221.13805	7.0
237.13370	1.1
239.14803	2.7
240.23112	2.3
257.24695	11.3
263.14667	0.9
265.16498	1.4
267.17999	0.8
283.17432	4.3
301.27148	0.7
309.18961	1.6
313.27301	1.9
314.27670	1.3
327.19897	3.3
327.78070	0.6
332.32117	0.7
353.21698	1.8
371.22601	1.7
397.24283	1.3
441.27051	0.9
459.27945	0.8
503.30240	0.8
547.32605	0.8
591.35248	1.1
635.38470	8.7
636.38373	0.8
675.41071	2.1
693.41418	1.1
839.69781	0.7
891.60516	1.4
908.64929	14.3
909.47101	1.0
909.64966	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	908.6495
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	1.2
69.03391	0.6
69.07059	1.2
71.04985	0.7
71.08618	38.3
73.02900	2.8
73.06541	5.4
79.05460	0.8
81.07037	1.1
83.08588	1.4
84.08139	0.9
85.06552	0.6
85.10167	32.3
86.09702	0.6
87.04455	23.1
89.06013	100.0
90.06358	0.6
91.07575	0.9
93.66328	0.5
95.04926	0.7
95.08572	1.3
97.10131	0.8
98.20705	1.0
99.11722	4.8
103.07571	5.7
107.07053	3.8
113.05996	1.4
113.13285	1.6
115.07549	0.8
117.09119	7.6
130.08618	5.4
131.07010	8.3
133.08580	80.3
134.08917	0.6
141.16315	0.7
151.09677	1.0
155.17923	3.5
157.08521	0.6
159.10173	0.8
161.11705	2.0
170.45021	0.5
175.09624	5.8
177.11194	34.9
201.11104	0.9
213.22069	4.3
219.12279	2.3
221.13797	7.1
223.15352	1.1
239.14888	1.8
257.24741	5.9
263.14819	0.8
265.16385	1.4
283.17404	3.3
309.18991	1.4
313.27289	1.7
314.27750	1.8
327.20071	2.1
353.21695	1.9
397.24338	1.2
485.29263	0.6
635.38922	1.2
661.39929	0.8
679.40942	5.9
719.44037	1.0
891.62671	1.2
897.37646	0.6
908.64917	11.6
909.65692	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	908.5409
Annotation	Unknow
Peak:m/z	Relative Intensity
63.57187	0.9
67.05490	6.6
69.03413	11.4
69.07056	41.7
70.06570	3.0
71.04978	5.6
71.08617	6.8
72.04502	2.0
72.08140	0.9
73.02892	4.5
73.06532	1.9
79.05472	3.4
80.09407	1.2
81.03399	10.2
81.07039	14.4
83.04954	4.2
83.08603	100.0
84.04488	2.3
84.08955	1.4
85.02888	21.4
85.06510	2.0
86.09676	1.2
87.00813	7.6
87.04450	15.2
89.06016	91.6
91.05458	4.0
93.07021	8.6
95.04936	2.2
95.08593	11.0
96.04474	1.5
97.02876	11.6
97.10149	56.0
98.06052	1.0
99.04424	4.1
99.08073	2.9
101.06013	1.2
103.03915	1.6
103.07552	1.3
105.01849	4.0
105.06992	2.4
106.09010	1.0
107.07027	3.5
107.08564	2.4
109.02851	8.6
109.06481	1.2
109.10120	6.8
111.04418	3.1
111.11698	6.7
113.09702	1.1
115.03882	2.0
115.05212	1.0
117.09139	5.4
119.08575	5.0
120.08966	1.3
121.06463	1.6
121.10098	6.6
123.11682	5.5
125.13243	2.7
126.05502	2.6
127.03895	11.7
129.05453	1.6
130.08606	2.8
131.04893	4.2
131.07037	7.0
131.08525	1.4
131.10648	1.1
133.08580	75.8
135.10062	1.1
135.11676	1.5
136.06163	2.3
137.13242	3.7
138.05511	1.0
139.14775	6.7
144.06503	1.3
145.04945	3.1
145.10072	2.2
146.03278	1.1
147.07994	1.4
148.41464	1.1
149.09558	2.6
151.07336	1.2
157.15892	2.7
159.02829	2.9
161.09534	1.2
162.07594	19.3
163.07919	1.4
165.09055	2.5
165.16312	1.6
165.37932	0.9
167.07007	1.8
171.40781	1.0
175.09631	7.6
177.11192	39.2
179.17926	2.6
191.12679	1.1
195.12318	1.2
197.18961	4.9
204.08672	2.0
215.20033	8.2
219.12204	2.5
220.99020	1.0
221.13797	8.4
223.15332	1.9
231.04979	3.3
237.13300	1.5
239.14859	4.0
249.05893	1.2
255.23112	4.1
259.22699	1.9
265.16422	3.5
273.24103	1.7
281.13632	1.1
283.17386	8.1
289.09119	2.1
294.11731	3.7
304.29565	1.2
309.18933	3.2
315.11938	1.0
327.20071	9.9
353.21671	7.5
359.07086	1.1
361.29385	1.2
371.22708	29.1
372.22928	1.2
385.24374	1.2
397.24155	2.9
411.25751	9.3
415.25238	21.8
426.15921	2.0
429.26944	8.1
455.28583	7.8
469.30115	3.5
473.29477	1.5
625.45087	28.1
643.46021	9.3
690.94543	1.1
839.44727	1.1
908.54681	6.2
938.56055	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	906.6702
Annotation	Unknow
Peak:m/z	Relative Intensity
68.16326	0.9
69.07042	4.1
71.08618	100.0
71.53532	1.6
71.53934	1.1
73.06546	1.6
81.07024	1.2
83.08598	3.4
85.06533	1.0
85.10168	80.9
87.04443	11.8
89.06013	49.3
91.07595	0.9
95.08598	1.1
97.10120	4.5
98.95055	0.9
99.11711	17.0
101.09627	4.1
107.07053	1.3
107.08594	0.9
111.11716	2.1
113.12547	0.9
113.13247	6.2
115.07493	1.1
117.09105	22.0
130.08629	5.1
131.06985	3.6
133.08580	44.7
135.10118	1.2
138.27470	1.0
146.08087	1.5
151.09766	0.9
155.17923	15.1
158.11742	1.9
159.10260	0.9
175.09656	2.2
175.13213	0.9
177.11177	18.1
213.22087	27.9
219.12218	1.1
221.13855	5.4
239.14679	1.6
254.24776	3.6
271.26273	40.6
272.26410	1.3
283.17325	2.4
300.21368	1.0
329.30319	2.7
371.22778	1.4
400.22668	1.1
415.25443	1.6
431.97638	1.1
456.09320	1.0
459.27869	1.2
469.61316	0.9
480.04144	1.0
503.30551	10.0
543.33875	1.2
561.34528	1.7
906.67365	15.1
907.66919	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	904.5246
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	1.5
67.05492	46.3
69.03427	2.5
69.07056	16.4
70.99718	0.8
71.04970	3.9
71.08585	0.6
73.02908	3.4
79.05478	28.1
81.03413	1.5
81.07040	89.0
82.09061	0.5
83.04960	5.2
83.08601	9.9
85.02889	12.5
85.06522	4.2
87.04449	0.8
91.03949	7.9
91.04467	0.9
91.04890	1.0
91.05463	26.3
93.07023	33.1
95.04967	3.3
95.08588	38.1
96.04439	0.5
97.02876	6.7
97.06502	5.5
97.10143	1.6
99.04446	1.0
99.08071	4.6
99.08664	0.7
101.05976	0.8
105.07010	32.3
107.04916	0.5
107.08574	22.0
109.02836	0.5
109.06489	5.6
109.10137	12.5
111.08062	1.9
113.05975	1.2
114.57288	0.6
115.03912	0.6
117.06986	4.9
119.08556	27.7
121.10119	28.0
123.08028	4.0
123.11684	28.6
125.09637	0.8
127.03862	2.5
127.07505	2.6
129.06969	1.8
130.41170	0.5
131.08545	7.3
133.10109	8.7
135.11667	8.7
136.06146	0.7
137.09607	0.8
137.13220	3.9
141.09081	1.3
145.04929	3.0
145.10094	5.6
147.11656	62.7
148.12001	0.6
149.09602	1.2
149.13235	4.9
151.11249	0.6
157.10133	2.7
159.11664	3.9
161.13214	3.6
163.05969	3.7
163.14792	3.4
165.12723	23.9
173.13222	3.2
175.11165	3.0
175.14832	1.8
177.16367	1.4
183.13725	3.2
187.14795	2.2
193.12260	1.6
201.16383	0.6
229.14322	5.2
233.22603	0.9
243.21066	4.6
244.17455	0.5
261.22079	22.5
262.22556	0.6
267.15863	67.4
268.16153	0.6
279.23068	3.7
285.16910	100.0
286.17343	1.3
317.24680	2.8
335.25732	86.7
336.26044	1.4
353.26797	5.7
453.33539	1.6
471.34509	2.4
506.27731	0.6
527.37286	9.0
545.38263	85.3
546.38403	2.0
563.39447	8.5
571.26996	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5246
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	1.3
67.05494	36.2
68.05834	0.4
69.03420	1.8
69.07057	13.0
69.25019	1.0
69.25443	1.5
71.04974	2.0
71.08623	0.5
73.02911	2.1
73.06552	0.4
73.24477	0.2
75.10139	0.2
77.03923	0.5
77.65430	0.2
79.05478	21.3
81.03395	1.2
81.07040	60.5
82.07387	0.6
83.04967	3.7
83.08604	6.9
85.02364	0.4
85.02888	7.9
85.06517	3.0
87.04456	0.3
91.03939	4.0
91.04476	0.3
91.05463	18.7
93.07025	23.9
95.04946	2.5
95.08589	28.8
96.04527	0.5
97.02878	4.3
97.06519	4.5
97.10141	1.7
99.04430	0.9
99.08076	2.2
101.06017	0.8
103.05447	0.5
105.07011	22.0
107.04948	0.5
107.08572	16.8
109.02865	0.3
109.06500	3.4
109.10138	10.8
111.08052	1.1
113.05976	1.1
113.09589	0.3
115.07632	0.3
117.06998	2.9
119.08560	18.6
121.06464	0.3
121.10120	21.0
123.08041	3.2
123.11681	18.9
125.09602	0.6
127.03902	1.9
127.07520	1.6
129.06972	1.1
131.08542	5.4
133.10098	7.0
135.11671	6.9
137.09633	0.4
137.13237	2.4
139.11104	0.5
141.09103	0.6
143.08476	0.3
145.04930	2.2
145.10100	4.1
147.11658	39.4
148.12027	0.3
149.09593	0.8
149.13234	4.3
151.14848	0.3
157.10094	1.7
159.11652	3.0
161.13231	2.7
163.05977	2.0
163.11049	0.4
163.14812	2.2
165.12720	15.6
166.13023	0.3
173.13229	2.6
175.11119	1.8
175.14796	1.0
177.16333	0.9
179.14186	0.4
183.13780	1.4
185.13246	0.3
187.14714	1.3
193.12172	0.9
199.14804	0.3
201.16396	0.7
205.15793	0.3
211.13214	0.3
229.14288	3.5
233.22583	0.8
243.21062	4.3
261.22083	15.3
262.22308	0.4
267.15869	48.1
268.16122	0.3
279.23132	3.2
285.16910	55.9
286.17282	0.7
317.24835	1.9
322.06885	0.3
335.25729	100.0
336.26108	1.6
353.26871	2.0
356.23935	0.3
453.33264	0.6
471.34537	1.0
503.65723	0.3
527.37213	5.1
545.38281	63.9
546.38721	1.5
563.39398	4.4
912.83392	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5095
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	1.3
67.05495	26.5
69.03406	1.2
69.07056	8.6
71.04967	2.1
71.55377	0.7
73.02888	1.7
79.05481	22.6
81.03397	1.9
81.07042	32.3
82.95708	0.9
83.04963	2.2
83.08588	6.1
84.08138	1.2
85.02884	2.6
85.06546	0.8
91.03941	1.2
91.05467	8.5
93.07024	32.1
95.04955	5.3
95.08588	36.4
97.02866	2.7
97.06515	3.4
97.10147	1.7
99.04420	2.1
99.08095	1.0
105.07019	10.3
107.04939	4.3
107.08576	21.9
109.06499	1.8
109.10143	8.3
111.04468	1.4
111.08056	0.8
117.06988	5.0
119.08562	8.2
121.06474	2.8
121.10128	14.7
123.11707	2.8
125.05978	2.8
127.07509	0.7
130.08611	1.2
131.08563	3.5
133.10097	4.8
135.11673	33.3
136.06171	1.9
137.13268	0.8
139.07567	0.9
145.10098	15.5
147.11667	1.7
149.13225	2.2
159.11659	2.0
161.13297	1.1
163.11147	34.5
163.14764	0.8
173.09753	0.9
173.13251	1.4
181.12187	5.8
209.11754	0.9
227.12738	41.9
228.13152	1.2
243.21083	1.8
261.22125	5.6
283.15353	51.9
284.15613	0.7
317.24799	2.2
319.52997	0.8
335.25745	87.3
336.26080	4.3
348.47726	1.0
523.74280	0.8
543.36725	100.0
544.37250	6.8
561.38080	1.3
592.00806	0.8
705.41162	1.9
804.02563	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	896.4984
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03917	0.2
67.05497	1.1
68.04998	0.7
69.03414	15.7
69.07056	1.2
70.06583	1.2
71.01340	1.1
71.04984	0.9
71.52296	0.2
72.04499	8.1
72.08127	0.2
73.02901	20.2
74.06059	0.3
79.05476	1.3
80.05009	0.8
81.03409	1.9
81.07040	2.9
82.02928	0.2
83.04961	0.9
83.08602	0.7
84.04488	10.1
84.08100	0.2
85.02888	8.0
86.06036	0.6
87.04455	1.5
88.03979	0.3
89.06017	0.4
91.05453	1.5
93.07023	2.0
94.06504	0.2
95.04955	0.7
95.08586	4.1
96.04472	5.5
97.02869	24.3
97.06520	0.2
97.10168	0.2
98.03153	0.2
98.06020	2.3
99.04441	2.1
99.21808	0.2
100.03964	0.3
101.02369	0.4
102.05513	0.6
103.03931	1.4
103.05429	0.3
105.06999	1.8
107.04958	0.2
107.08573	2.5
108.04462	0.6
109.02857	0.7
109.06489	0.3
109.10129	1.8
110.06007	0.5
111.04402	0.8
114.05515	1.6
115.03902	14.1
116.07073	0.2
117.05541	0.3
117.06994	0.4
119.04911	0.4
119.08549	2.1
121.06492	0.3
121.10113	2.4
122.06000	0.4
123.04398	0.5
123.11678	0.6
124.03892	0.3
124.07590	0.2
126.05488	7.2
127.03888	3.9
128.07060	0.4
129.05479	0.5
129.06956	0.5
131.04913	0.3
131.08519	1.1
132.06491	0.3
133.04938	3.7
133.06445	0.2
133.08568	0.4
133.10083	1.2
135.04398	0.2
135.08035	0.4
135.11678	1.4
137.05952	1.2
137.09567	0.2
137.13234	1.2
138.05479	0.9
139.03880	0.6
140.07062	0.2
143.03363	1.4
143.08554	0.6
144.06529	7.2
145.02898	0.2
145.04948	1.7
145.10062	1.5
147.04375	0.5
147.08034	0.6
147.11639	0.8
149.04477	0.2
149.05946	0.3
149.09642	0.3
149.13211	1.1
153.05353	0.3
155.08542	0.2
156.06441	0.3
156.09282	0.2
157.04951	0.6
157.10104	0.8
159.08043	0.4
159.11673	1.0
161.05981	0.2
161.09576	0.5
161.13237	0.6
162.07576	100.0
163.03825	0.2
163.07941	1.3
163.14778	0.4
165.05478	0.3
165.09084	0.4
167.07024	0.7
168.06587	0.7
169.04918	0.4
169.10023	0.3
170.10869	0.2
171.11655	0.4
173.09558	0.2
173.13251	0.7
174.07603	0.7
175.06044	0.3
175.07451	0.4
175.14822	0.5
177.05482	0.5
177.16356	0.6
179.06984	0.2
180.07071	0.2
180.08617	1.5
181.04945	0.4
183.06526	0.3
183.11728	0.3
185.13216	0.7
186.07637	0.9
187.11176	0.2
187.14813	1.1
189.16411	0.6
191.17911	1.8
192.06403	0.2
194.08008	0.3
197.13264	0.4
198.07574	0.3
199.05948	0.3
199.14755	0.7
201.16364	0.8
203.10323	0.5
203.17848	1.0
204.08629	3.8
204.10434	0.3
205.19467	0.4
207.06548	0.2
210.07576	0.3
211.05960	7.0
211.14737	0.4
213.16359	0.5
215.14166	0.3
216.08694	0.6
217.19342	0.3
222.07661	0.3
228.08580	0.4
229.07039	2.4
229.15865	0.3
231.13785	0.3
239.17932	0.3
240.08609	0.8
241.07133	0.3
245.15425	0.9
247.08063	1.2
249.14749	0.3
253.19421	0.2
258.09665	4.3
265.09195	0.6
275.16327	0.4
276.10718	5.9
285.18698	0.3
294.11761	30.8
295.12341	0.4
297.18329	0.2
308.08337	0.2
312.12811	0.8
315.19147	0.3
336.12756	1.1
348.12823	0.3
389.31934	0.4
390.13885	1.1
391.33456	0.4
407.32968	0.4
408.14859	1.4
409.34576	0.3
425.33929	0.3
426.15952	36.6
427.16241	1.0
435.32535	2.6
436.33160	0.3
437.33792	0.3
444.17108	1.3
453.33536	4.0
471.34604	0.3
575.98944	0.2
630.35535	0.2
632.41193	0.6
764.45667	0.3
836.89441	0.3
896.50085	2.1
897.50726	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	894.6338
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	0.9
69.03419	0.8
69.07050	1.3
70.06577	2.5
70.63490	1.2
70.63879	1.0
71.04968	0.6
71.08616	36.8
72.08137	0.7
72.64063	0.5
73.02888	2.9
73.03254	0.4
73.06543	5.2
78.87814	0.5
79.05465	0.7
81.07053	0.7
83.08568	1.1
85.10165	35.7
85.65963	0.5
86.09676	3.3
87.04451	23.6
87.05586	0.7
89.06013	100.0
90.06330	0.8
91.07571	0.5
93.07052	0.6
94.07391	0.5
95.04926	0.7
95.08582	1.3
96.30290	0.5
99.11733	2.8
103.07562	8.3
107.07043	4.3
113.05981	2.2
114.09174	0.6
117.09108	7.5
121.10133	0.5
129.09114	0.7
130.08604	3.6
131.06113	0.9
131.07004	8.2
133.08577	75.4
134.08923	0.6
135.10097	1.1
141.10179	0.7
141.16354	3.1
141.47617	0.4
157.08575	1.0
159.10144	0.6
161.11702	2.0
169.09657	1.1
175.09653	6.4
177.11189	33.1
179.12807	0.6
183.14926	0.6
193.10756	0.6
199.20558	3.5
199.22098	0.6
201.11232	0.5
219.12242	3.2
221.13808	5.8
223.15331	0.9
239.14810	2.5
243.23117	6.2
265.16364	1.4
267.17969	0.7
283.17432	3.8
309.19165	0.9
327.19931	2.0
353.21512	1.5
371.22479	1.1
397.24213	0.7
427.39041	0.5
441.26532	0.7
476.34549	0.7
485.29010	0.7
537.09998	0.5
582.90326	0.5
635.38013	0.7
679.40796	5.3
719.43469	0.8
877.59955	1.8
894.63611	10.7
895.63483	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	894.5249
Annotation	Unknow
Peak:m/z	Relative Intensity
62.10179	0.9
67.05489	5.8
68.78934	0.9
69.03414	12.4
69.07053	52.9
70.06568	3.7
71.04993	4.6
71.08611	2.7
71.54444	1.4
72.04506	2.1
73.02896	5.3
73.06532	2.3
79.05473	2.5
81.03416	9.2
81.07035	12.1
83.04954	3.8
83.08600	82.6
84.04493	2.4
84.08119	2.1
85.02885	22.8
85.06526	1.7
86.06100	0.9
86.09705	2.0
87.00829	5.6
87.04447	14.9
89.06011	100.0
91.05449	2.1
93.07017	4.7
95.04929	1.6
95.08591	7.7
95.77534	1.0
96.04471	1.8
97.02859	8.7
97.06512	0.8
97.10145	19.5
98.06055	2.2
99.04436	3.9
101.06005	0.9
103.03941	1.2
103.05479	1.1
103.07568	1.7
105.01830	3.4
105.07009	2.7
107.04874	1.6
107.07040	2.3
107.08556	2.3
109.02863	9.3
109.10126	7.9
111.04404	2.7
115.03922	1.5
117.09111	3.6
119.08549	4.3
121.06428	1.3
121.10084	3.0
123.11694	3.4
125.13277	6.2
126.05482	2.2
127.03890	11.2
129.05482	1.7
130.08603	3.8
131.04874	1.4
131.07036	6.4
131.08521	1.3
133.08575	78.9
133.10170	2.9
134.08899	1.1
135.11670	2.2
137.05904	2.1
137.13216	1.4
139.14711	1.1
143.08578	1.2
143.14287	1.4
145.04927	2.9
145.10152	1.2
146.06068	1.0
147.07993	1.3
149.05997	1.5
149.09578	1.1
151.03825	1.1
155.14268	1.4
157.15909	1.6
159.02777	2.5
159.11736	1.4
161.09534	1.6
162.07596	20.3
163.07697	1.2
165.09056	1.4
165.16368	2.0
167.06993	1.9
175.09624	5.1
177.11183	43.9
183.17447	1.5
187.14754	1.0
195.12105	1.1
197.19040	2.7
201.18425	5.0
207.06525	1.7
213.03996	1.6
218.02345	1.0
219.12242	2.9
221.13849	12.3
226.07259	1.6
229.94490	0.9
237.13249	1.7
239.14842	3.9
241.21619	5.6
263.14847	1.3
265.16333	2.8
276.10611	1.2
277.70859	0.9
283.17502	6.0
292.10132	2.0
294.11743	2.8
309.19031	4.4
327.20038	5.3
353.21582	3.8
371.22705	14.3
387.15607	1.1
397.24228	5.5
411.25803	2.5
411.31726	0.9
415.25281	33.7
416.25745	1.4
429.26871	3.5
437.33978	1.1
440.17419	2.6
447.17584	2.7
455.28455	13.7
469.29370	2.2
473.29333	2.3
611.43524	30.4
612.44171	2.1
623.20422	3.0
629.44623	10.5
655.29028	1.1
894.51801	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	892.6552
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05486	1.0
69.07050	2.6
71.08619	100.0
71.53091	1.0
73.02892	1.9
73.06523	2.6
81.03358	0.8
83.08592	2.5
85.10165	89.3
87.04454	15.8
89.06015	72.6
95.06993	0.9
95.08617	0.9
97.10138	4.6
99.11713	16.8
101.05966	1.1
101.09639	3.0
107.07052	4.1
111.11701	1.4
113.13274	5.3
117.09106	21.1
129.09048	0.7
130.08635	5.6
131.07014	6.5
133.08582	64.1
135.10109	1.0
136.07539	0.9
145.84752	1.1
147.10060	1.2
155.17909	14.2
158.11803	1.0
159.10100	0.9
161.11702	1.5
175.09608	5.8
175.72090	0.9
177.11194	31.0
184.07263	2.7
191.12669	1.0
206.56219	0.9
213.22090	30.4
219.12245	2.5
221.13786	6.2
239.14758	1.6
254.24760	2.6
265.16412	2.0
267.17938	0.9
271.26270	32.0
279.11243	1.8
283.17377	4.2
327.19882	1.9
329.30328	1.0
337.11743	1.1
353.21533	1.3
371.22952	1.3
375.17542	0.9
397.24243	1.0
441.26758	1.4
459.27988	1.5
503.30515	1.2
529.32397	1.0
547.33160	13.8
587.35999	2.3
605.37347	2.1
663.42017	1.0
682.58569	0.9
892.65497	17.2
893.64630	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	888.5291
Annotation	Unknow
Peak:m/z	Relative Intensity
61.92304	0.3
62.63842	0.3
65.03934	1.5
65.04208	0.3
67.05489	36.8
69.03400	1.4
69.07053	11.5
69.63512	0.3
71.04969	2.5
71.08620	0.5
71.54131	0.5
72.20388	0.3
73.02899	1.7
79.05475	24.4
81.03394	0.9
81.07035	43.8
82.07380	0.5
83.04964	2.7
83.08603	7.7
84.08126	0.7
85.02886	5.6
85.06526	1.8
91.03938	3.1
91.05458	12.8
93.07021	36.4
94.07330	0.4
95.04942	3.8
95.08582	22.8
97.02857	2.9
97.06504	5.6
97.10146	1.4
99.04436	0.5
99.08083	1.9
105.04506	0.6
105.07002	8.0
107.08566	20.3
109.06495	1.3
109.10135	7.1
111.08059	3.2
111.11710	0.6
113.09615	0.7
115.05453	0.5
117.07001	5.2
119.08558	5.2
121.06451	0.5
121.10115	15.6
123.08042	0.8
123.11676	2.9
125.05984	0.4
127.03886	1.3
129.06918	0.5
130.08640	1.1
131.08533	7.6
133.10104	6.6
135.08055	0.7
135.11653	8.9
136.06136	0.8
137.09608	0.4
137.13220	0.5
139.11128	0.5
145.04961	1.5
145.10104	3.4
147.11658	3.6
149.09602	0.6
149.13220	16.5
151.11206	0.4
151.14793	0.4
153.12706	0.3
159.11655	7.9
161.13237	1.9
163.06007	1.8
163.11195	0.4
163.14812	1.6
163.16795	0.3
165.12683	0.5
171.11690	0.4
173.13208	2.4
175.14801	0.9
177.12721	2.1
177.16385	0.6
179.14235	0.4
187.14786	1.0
188.75256	0.3
194.61589	0.3
195.13786	3.6
199.14864	0.4
201.16264	0.5
213.14772	0.5
243.20987	2.5
249.39497	0.3
261.22086	7.8
262.22455	0.3
267.15939	1.4
269.17416	41.1
270.17786	1.6
299.23599	0.4
317.24777	1.2
335.25720	39.4
336.26080	1.9
421.29895	0.4
437.34094	0.7
455.34906	0.6
511.37540	1.0
529.38763	100.0
530.39160	7.4
547.39636	1.9
571.18097	0.3
596.35706	0.4
888.49030	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	892.6548
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07054	3.4
69.97939	6.0
71.08619	100.0
73.06573	1.0
81.07018	1.3
82.34080	1.2
83.08593	4.5
84.08129	1.6
85.10168	97.7
87.04457	14.1
89.06015	47.4
93.07026	1.4
97.10150	2.5
99.11713	13.0
100.07652	1.2
101.09626	5.0
103.07551	2.4
104.18883	1.1
105.07053	1.4
107.07030	2.5
111.11687	1.4
117.09113	19.1
130.08597	3.8
131.07014	5.0
133.08582	46.1
141.16336	12.9
144.01416	1.1
147.10176	1.4
158.11682	1.1
159.13870	1.1
161.11703	1.7
163.23465	1.1
175.09656	4.0
177.11198	21.6
199.20534	32.8
214.39195	1.5
219.12206	1.8
221.13773	3.8
239.14743	1.4
240.23195	2.7
257.24707	42.8
258.25192	1.2
259.50473	1.2
283.17444	2.0
315.28922	3.7
327.19641	1.3
497.07266	1.2
503.30600	10.4
561.34381	1.3
746.88525	1.2
892.49750	2.1
892.65521	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	878.6392
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07062	1.8
69.60919	3.8
71.08617	100.0
72.08948	0.7
73.02903	1.4
73.06548	2.5
73.51101	0.8
81.07040	1.0
83.08601	4.0
84.08138	1.5
85.10167	98.5
86.10507	0.9
87.04452	16.6
87.08112	1.4
89.06015	76.1
95.04915	0.8
97.10149	1.8
98.21484	1.5
99.11722	11.4
100.07617	0.9
101.06007	0.8
101.09656	4.4
103.07574	2.7
107.07073	4.1
111.11691	1.1
113.05954	1.2
117.09104	17.6
129.09123	0.9
130.08632	6.1
131.07027	6.7
133.08578	64.5
135.10074	0.8
141.16360	14.6
144.29776	0.7
147.10086	0.8
158.11714	0.7
161.11740	1.1
175.09683	4.3
177.11191	30.3
181.19550	1.0
199.20537	31.1
219.12276	2.1
221.13817	6.7
237.13326	1.1
237.55850	0.7
239.14867	3.1
240.23213	2.7
248.65419	0.7
257.24698	35.4
258.24915	0.9
265.16516	1.2
283.17459	2.7
309.19113	1.7
313.27228	1.3
315.28857	1.1
327.20007	2.3
353.21671	1.3
459.27844	1.4
503.30292	2.1
547.25525	1.2
547.33136	14.1
587.35577	2.6
605.36957	2.0
645.39679	1.0
802.04919	0.9
841.36035	0.7
878.64020	15.1
879.62622	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	882.5397
Annotation	Unknow
Peak:m/z	Relative Intensity
63.01335	0.6
65.03888	0.6
65.05315	0.6
67.05489	17.9
69.03393	1.7
69.07047	11.1
69.20499	1.5
69.20901	6.1
71.04943	2.7
71.08617	19.4
73.02903	2.9
73.57093	0.6
79.05479	8.3
81.07039	55.9
83.04951	4.3
83.08599	11.7
85.02886	9.4
85.06522	3.3
85.10165	10.6
87.04421	1.6
89.05989	1.2
91.03935	6.1
91.05459	13.9
93.07017	6.2
95.04932	1.8
95.08586	23.3
95.57565	0.7
97.02869	6.1
97.06504	4.5
97.10140	4.2
99.04427	1.1
99.08089	3.3
99.11688	1.0
101.05965	1.4
103.07511	0.9
105.07006	18.8
107.07935	0.8
107.08569	7.8
109.02793	0.8
109.06488	3.1
109.10145	6.7
111.08017	1.4
111.11697	0.7
113.05927	0.8
119.08550	16.7
121.09315	1.2
121.10117	14.3
123.08040	4.3
123.11679	22.0
127.03854	2.3
127.07554	3.0
129.07021	0.8
131.08511	0.7
133.10065	1.9
137.13211	3.8
141.09065	0.8
145.04884	2.8
147.11655	53.4
148.12012	1.2
151.14772	0.7
157.10059	1.3
163.06050	3.5
163.07324	0.5
165.12724	20.5
175.11124	2.3
178.17720	0.6
183.13736	1.9
193.12157	1.0
221.22519	0.7
229.14261	3.3
239.23610	2.6
257.24646	1.2
267.15860	78.6
268.16129	1.9
285.16901	93.6
286.17178	2.6
313.27292	88.4
314.27652	2.0
331.28357	2.3
459.21722	1.8
523.39838	100.0
524.40320	4.0
547.26691	0.8
606.28357	0.8
883.39526	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	878.6391
Annotation	Unknow
Peak:m/z	Relative Intensity
65.96781	0.5
66.22721	0.5
69.03448	0.6
69.07047	2.8
71.08620	87.8
71.53013	1.0
72.08967	0.7
72.32985	0.6
73.02921	1.6
73.06537	3.2
81.07059	0.9
83.08611	2.3
85.06557	0.7
85.10168	76.8
87.03918	1.3
87.04456	23.5
89.06015	100.0
90.06317	0.7
90.68679	0.6
91.07576	0.8
97.10165	3.5
99.11720	13.2
101.05978	0.7
101.09631	1.9
103.07575	1.3
107.07047	4.4
111.11696	0.8
113.05986	1.4
113.13287	5.6
115.07537	0.6
117.09112	8.7
125.13233	0.6
129.09088	0.6
130.08621	6.1
131.07024	8.4
131.10548	0.7
133.08582	79.9
134.08875	0.6
135.10098	0.6
147.10109	0.9
155.17920	12.8
157.08548	0.9
159.10115	0.8
161.11725	1.0
163.00975	0.6
173.06105	0.6
173.11699	0.9
175.09630	6.7
177.11197	38.7
179.12770	1.0
191.12827	0.8
193.10652	0.7
213.22098	21.5
219.12132	3.9
221.10472	0.6
221.13774	9.2
223.15274	1.2
239.14796	2.6
254.24742	1.3
265.16437	1.7
271.26285	9.4
283.17462	4.4
309.19006	1.8
327.19989	2.2
340.29453	0.6
353.21451	1.6
371.22681	1.4
397.24109	1.0
415.25000	0.8
459.27765	0.6
503.30191	1.6
547.32874	1.7
573.34595	0.8
591.27582	1.0
591.35852	12.8
631.38452	2.3
649.39178	1.4
689.42969	0.7
716.16034	0.6
861.60059	1.5
878.64148	14.8
879.63867	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.429
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	17.4
69.07056	6.1
70.95861	3.9
71.08618	12.0
71.51868	1.2
71.92976	2.2
72.93774	14.4
79.05478	8.8
81.03416	4.9
81.07042	15.9
83.04959	1.1
83.08627	3.9
85.02872	1.0
85.10179	6.7
88.96879	2.2
89.94030	0.8
90.94812	13.2
91.05475	6.1
93.07028	9.3
95.04951	1.3
95.08589	17.8
97.10149	2.6
102.94765	1.0
103.03909	1.9
105.06998	3.1
107.08591	4.5
108.95857	5.4
109.10133	6.5
110.03599	0.9
113.96369	3.6
116.96329	3.6
119.08562	2.6
120.95864	1.2
121.10132	4.0
123.11665	2.8
126.98381	3.7
128.96313	4.0
129.97086	1.0
130.97878	2.5
131.08556	1.8
131.97421	1.4
132.95819	15.2
133.10141	1.4
134.97365	3.8
135.11667	2.2
136.95319	1.6
140.96414	1.1
142.97861	1.5
144.95790	5.1
144.99440	3.7
145.00769	0.7
146.97362	9.9
148.98959	2.9
150.96867	13.1
151.01970	1.2
151.97739	1.5
154.94205	1.1
154.97861	1.7
155.97452	1.8
156.95830	2.4
158.97379	12.3
160.95328	1.0
160.98956	1.5
162.96852	9.1
163.14716	0.9
164.98441	38.2
164.99837	2.5
165.03647	1.4
165.97096	1.4
166.97813	1.6
167.97392	1.5
168.95821	1.1
168.99573	0.9
169.98979	1.5
170.97408	6.9
172.95213	2.9
172.98898	4.1
173.98450	1.6
174.96887	5.0
176.98427	8.0
179.01385	0.8
181.98906	2.0
182.36150	0.8
182.97336	3.4
183.98235	0.9
184.98940	3.7
185.98605	1.2
186.96826	1.9
187.00548	1.2
188.00026	4.9
188.98387	9.7
189.03564	1.0
190.96236	3.4
191.00037	2.4
192.97899	1.6
192.99445	1.0
195.96758	1.0
196.92093	1.3
196.98872	1.3
198.96854	40.4
199.00412	1.3
200.98392	5.8
203.00002	3.9
206.99474	7.5
211.99974	1.5
213.03665	1.3
214.92982	5.7
214.96410	1.0
214.99927	1.9
215.05264	0.9
216.97939	15.6
218.99512	5.9
224.00134	1.0
227.05168	2.3
230.99471	8.8
233.01007	12.7
237.05792	1.3
239.23708	1.3
239.99487	5.8
240.94653	1.3
241.05075	1.9
242.99568	1.8
243.06898	1.2
245.01038	2.5
252.94655	2.0
254.99461	1.6
255.06764	2.8
257.24808	1.2
259.34702	1.0
260.93262	1.2
262.93042	20.5
270.95651	8.1
273.00558	4.5
275.07190	1.6
278.09641	1.2
279.08035	1.4
280.94116	16.0
280.97195	1.8
281.09842	4.4
283.11343	3.0
285.12900	0.9
285.94623	4.7
294.95605	1.9
298.95135	22.0
298.98279	1.4
301.08511	0.9
303.95654	2.3
305.39346	0.9
307.13654	1.2
309.15045	2.0
311.16495	1.3
312.96832	4.8
313.27322	50.5
314.27435	1.2
316.96161	2.2
316.99402	1.2
317.18011	1.3
318.95590	1.1
321.96722	6.5
325.14487	0.9
327.16077	3.3
329.11859	4.7
329.17706	7.6
331.13373	10.4
333.15048	100.0
334.15344	2.3
335.19394	1.3
335.25732	31.4
336.25793	0.8
336.96738	9.1
347.18839	6.2
351.15897	1.6
352.19305	1.5
354.97745	13.1
372.16370	1.3
372.98798	31.5
374.17764	2.9
385.20203	1.9
389.17737	1.3
396.00311	3.8
397.20297	1.4
407.02124	1.1
407.13660	1.5
407.18646	14.5
414.01398	5.6
449.19864	1.8
501.15729	1.0
517.22827	0.9
519.16998	1.6
529.24512	0.9
537.18182	2.3
541.15149	1.3
573.48602	6.7
575.19653	1.5
593.20551	11.1
597.17590	1.4
611.21716	65.8
612.21893	2.3
615.19086	45.0
616.19269	1.4
629.22229	2.3
633.20190	69.0
634.20776	2.5
645.41333	3.2
652.24347	12.1
871.44507	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	864.6232
Annotation	Unknow
Peak:m/z	Relative Intensity
60.79658	0.4
67.05519	0.4
69.03413	0.6
69.07066	1.7
70.44810	1.0
71.04974	0.6
71.08616	43.0
73.02893	2.1
73.06541	5.6
76.09191	0.3
79.05465	0.4
80.12057	0.3
81.03398	0.3
81.07053	0.7
82.55463	0.3
83.08600	1.1
84.08120	0.3
85.10165	34.6
86.09694	0.9
87.04449	22.1
89.06010	100.0
90.06329	0.8
91.07577	1.0
95.04943	0.5
95.08593	0.5
97.10159	1.1
99.11713	5.2
101.06013	0.5
103.07564	6.2
105.07098	0.4
107.07049	4.6
111.11689	0.5
113.05978	0.9
113.13248	2.3
115.07577	0.9
117.09106	6.8
120.95277	0.3
121.08510	0.4
124.99963	0.6
129.09036	0.6
130.08603	5.7
131.07013	8.8
131.10612	0.6
133.08575	79.7
134.08881	0.9
135.10085	0.4
136.06123	2.4
136.59958	0.4
141.16350	1.2
144.10107	0.4
151.09584	0.4
155.17906	3.6
157.08594	0.6
159.10156	0.9
161.11707	2.7
173.11565	0.4
175.09621	6.3
175.11021	0.6
177.11186	36.7
178.11583	0.4
179.12704	0.4
184.07304	4.0
193.10591	0.4
199.20546	1.0
201.11224	0.4
203.12601	0.4
205.14243	0.3
213.22075	5.0
219.12209	3.1
221.13797	7.2
223.15344	1.0
237.13403	0.6
239.14813	2.1
254.24612	0.4
257.24683	5.0
263.14825	0.6
265.16403	1.7
283.17410	4.4
301.27319	0.4
309.18869	1.8
311.20578	0.4
327.20270	2.3
335.12564	0.3
353.21606	1.5
355.23132	0.6
371.22641	0.8
397.24155	1.2
415.25275	1.0
441.26727	1.1
503.30078	0.4
529.31683	0.5
547.33221	0.6
573.35217	0.3
591.35852	1.8
617.36505	0.7
635.38312	6.2
675.41516	1.7
847.59399	1.8
864.47803	6.3
864.61829	10.2
865.47791	1.1
865.62823	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	864.6229
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03409	0.5
69.07055	2.2
71.04958	0.6
71.08612	91.7
72.08942	0.6
73.02888	1.6
73.06527	3.6
81.07030	0.5
83.08591	2.6
85.06523	0.6
85.10159	88.7
86.10516	0.7
87.04446	23.0
87.08087	0.7
89.06006	100.0
90.06325	0.8
91.07581	0.9
97.10139	1.4
99.11703	9.5
101.05989	1.1
101.09626	2.4
103.07552	1.2
107.07040	4.7
111.11697	1.0
113.05980	2.0
117.09103	9.4
129.09058	0.8
129.99559	0.5
130.08603	6.3
131.07016	8.1
133.08568	81.6
134.08897	0.9
135.10139	0.8
141.16341	11.0
141.17360	0.7
147.10075	0.7
151.09587	0.6
157.08609	1.1
159.10182	0.5
161.11719	2.0
173.11766	0.5
175.09625	7.3
177.11179	36.4
177.96924	0.4
178.11575	0.7
179.12718	0.4
184.07335	1.6
191.12746	0.9
193.10756	0.7
199.20514	23.1
200.20868	0.6
201.11232	0.5
219.12210	3.3
221.13794	6.4
223.15318	0.9
235.15407	0.5
239.14775	2.2
240.23245	2.5
257.24664	12.0
263.14932	0.7
265.16287	2.1
267.17896	0.6
283.17380	5.0
283.19901	0.5
309.19089	2.3
311.20715	0.7
327.20071	3.0
353.21744	1.8
371.22867	1.4
397.24503	1.1
415.24988	0.7
441.27078	1.1
459.27844	0.7
485.29504	0.9
503.30548	0.8
529.32092	0.6
547.33264	1.6
573.35059	0.9
591.35736	12.6
592.36060	0.5
631.39038	1.8
649.39526	1.4
756.85168	0.5
847.59094	1.2
864.46545	1.1
864.62396	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	864.514
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02908	1.0
67.05490	5.8
68.99771	1.3
69.03417	10.1
69.07055	40.5
69.40273	6.8
70.06576	2.7
71.04987	5.2
71.08610	4.8
72.04493	1.4
73.02891	4.4
73.06554	1.5
73.70055	0.7
75.04453	0.9
79.05468	2.6
81.03408	9.4
81.07036	15.7
83.04961	3.0
83.08604	100.0
84.04483	2.1
84.08160	0.8
84.08913	1.7
85.02892	21.5
85.06527	2.1
86.09683	1.5
87.00806	7.3
87.04459	11.8
89.06013	82.6
91.05464	2.2
93.07033	3.8
95.04953	2.2
95.08593	9.4
97.02880	7.3
97.06467	0.8
97.10149	47.7
98.21568	1.2
99.04410	3.4
99.08098	1.4
101.06002	1.2
101.09614	0.8
103.07597	2.0
105.01853	5.0
105.07024	2.6
107.07076	3.6
107.08560	2.5
108.99068	0.9
109.02853	8.8
109.10148	6.0
111.04444	3.2
111.11697	6.0
115.03933	1.7
117.09093	3.9
119.08571	2.6
120.08059	0.8
121.06519	0.9
121.10139	2.4
123.11682	3.3
125.13231	1.9
126.05520	1.0
127.03883	11.9
129.01813	1.1
129.05423	1.2
130.08667	2.9
131.04922	3.3
131.07034	4.1
131.08565	0.9
133.08578	64.3
135.10147	1.3
135.11707	0.7
137.05962	1.0
137.13232	3.0
139.14763	6.4
141.12782	1.0
143.14308	0.9
144.06509	0.9
145.04947	3.7
145.10112	0.9
147.02798	0.9
147.11690	0.8
149.09540	1.6
153.16295	0.9
155.14322	1.3
157.15886	2.4
159.02896	2.7
159.11722	0.8
161.05888	0.9
161.11774	1.3
162.07568	13.2
163.07901	0.9
165.09105	1.7
167.07021	1.4
169.12166	0.8
175.09613	5.1
177.11186	35.2
179.17961	2.4
185.08124	0.8
189.79469	0.7
191.12817	1.6
197.19040	3.7
201.18433	1.0
211.20482	1.6
215.20006	8.5
219.12296	2.1
221.13800	10.1
231.05077	1.6
239.14896	3.5
249.06093	1.1
255.23091	5.5
265.16406	1.8
273.24286	1.6
277.10645	2.0
283.17447	8.2
289.09229	2.0
294.11932	1.5
302.94446	0.7
309.19049	4.0
327.20062	29.8
341.21609	1.0
353.21783	3.0
367.23227	6.0
371.22705	20.6
385.24368	9.3
411.25601	5.3
425.27405	4.2
429.27036	1.6
453.33603	1.1
581.42493	29.6
582.42908	1.6
599.43622	9.1
864.52478	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	862.6443
Annotation	Unknow
Peak:m/z	Relative Intensity
68.18789	1.5
69.07026	2.3
70.92401	1.5
71.08620	100.0
72.17081	1.6
81.07041	1.8
83.08591	2.7
85.10168	90.2
87.04425	6.0
89.06017	31.1
97.10176	2.0
99.11712	9.1
101.09631	6.5
105.79356	1.6
106.17842	1.7
109.40088	1.9
109.89849	1.5
115.07551	2.0
117.09119	19.3
130.08650	2.9
133.08583	26.0
141.16364	10.0
177.11182	10.6
187.05591	1.6
199.20523	34.7
213.22192	1.8
221.13844	3.3
229.19385	1.9
240.23140	3.2
257.24713	36.0
271.26355	2.2
283.17429	2.2
315.28842	3.9
415.25125	7.3
698.02722	1.8
862.64880	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	862.6436
Annotation	Unknow
Peak:m/z	Relative Intensity
61.75491	1.0
69.07044	3.3
71.08616	100.0
71.54945	1.0
71.55396	1.5
73.02898	1.1
73.06550	1.4
83.08597	3.3
83.24579	0.9
85.10164	83.9
87.04449	9.5
89.06012	49.8
97.10140	4.5
99.11705	18.0
101.06001	1.6
101.09624	5.4
110.52008	1.1
111.11733	1.1
113.13254	5.7
117.09107	20.7
130.08626	3.8
131.06993	3.8
131.65669	1.0
133.08572	39.6
135.10173	1.1
155.17903	14.8
158.11726	1.3
159.13835	1.2
171.17413	1.0
171.57518	1.0
175.09631	2.5
177.11206	18.0
181.31758	1.0
213.22092	31.1
219.12347	1.3
221.13812	4.2
226.17949	1.0
254.24739	4.4
271.26263	38.0
283.17392	2.8
293.50583	0.9
327.20203	1.2
329.30429	3.3
333.14926	1.1
371.22668	2.1
459.27878	10.3
517.32031	2.2
557.35480	1.1
778.76331	1.2
862.64526	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	858.4617
Annotation	Unknow
Peak:m/z	Relative Intensity
62.40050	0.8
67.05492	16.2
69.03419	7.8
69.07050	4.2
70.06569	0.9
71.04977	1.9
71.53183	1.6
79.05476	17.4
79.05914	1.5
79.61137	1.0
80.05027	1.3
81.03401	21.5
81.07039	19.9
83.04961	3.0
83.08601	2.4
84.08121	1.6
85.02897	6.0
86.09683	1.2
90.05537	1.0
91.05446	11.1
93.07026	16.6
95.04951	3.8
95.08589	13.9
97.02866	8.8
97.06494	1.6
98.06036	1.1
99.04433	2.7
101.52148	0.9
103.05441	2.2
105.07002	9.4
107.04935	11.3
107.08561	8.2
108.04454	10.6
109.02850	4.1
109.06461	2.4
109.10124	5.7
111.04414	1.6
111.08072	1.4
115.05456	6.0
117.06988	16.3
119.08560	8.0
121.06455	1.1
121.10119	8.0
121.42194	0.9
123.04406	3.5
123.11665	1.1
124.05232	1.1
125.00004	0.9
125.05984	1.0
126.05508	3.7
127.03880	3.4
128.06187	0.9
129.06976	5.5
130.08612	2.3
131.04945	1.0
131.08536	12.1
133.06474	1.8
133.10107	5.7
135.08000	1.0
135.11673	6.1
137.06001	1.1
137.09607	1.1
137.13156	1.0
141.06985	2.3
143.08562	1.3
144.05650	2.3
145.06454	32.4
145.10078	4.7
146.06892	1.1
146.08031	1.1
147.08022	2.8
147.11693	4.4
149.09645	1.0
149.13219	2.8
152.04597	1.0
155.06013	2.9
155.08426	1.3
156.05673	5.9
157.06502	2.8
157.10104	1.7
159.08020	7.0
159.11691	4.1
160.05267	1.5
161.05965	3.2
161.13214	2.6
167.07005	53.1
169.10028	1.5
171.11652	2.0
173.05945	60.1
173.11848	1.0
173.13281	3.0
174.06502	1.0
175.07504	2.2
175.11205	1.2
177.16248	0.9
181.04813	1.0
181.08459	1.4
184.05168	1.2
184.07338	1.8
185.05859	0.8
185.13235	1.5
187.07500	6.3
187.14796	1.0
190.06204	32.9
191.06935	1.3
193.08586	1.0
202.06131	4.1
203.07018	5.7
205.08554	100.0
206.09027	1.3
207.06470	1.3
214.08549	1.6
217.08546	42.6
218.08896	1.1
219.08194	1.4
219.09938	4.1
223.09651	2.2
231.08107	2.0
233.09628	1.1
235.09592	32.4
243.21036	1.1
247.07401	1.9
247.09665	8.2
248.08173	2.1
249.11212	2.5
254.05748	0.9
259.20526	1.7
261.22119	4.0
263.10800	1.5
265.10660	45.4
269.07950	1.8
271.09537	2.5
275.20062	1.2
277.08197	1.0
277.21652	1.8
279.10211	1.8
290.09283	1.0
291.10147	2.8
293.08008	1.4
305.08340	1.1
307.09491	1.5
315.08551	5.3
315.23087	1.6
323.12668	1.7
327.22986	0.9
330.10910	7.8
331.11777	4.2
337.10617	1.0
339.12366	1.3
343.11865	1.0
344.22055	2.4
351.12173	3.4
351.23099	1.6
368.12491	1.5
369.13382	1.3
369.24231	3.2
371.14725	3.6
383.14825	15.4
387.25165	3.6
401.15912	22.5
402.16339	1.1
404.27780	2.0
405.26157	4.5
417.15518	1.1
422.29037	3.2
660.36420	1.0
808.75934	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4537
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	6.9
67.05502	4.9
69.03423	3.2
69.07056	1.0
70.06602	0.5
71.01350	0.5
71.04963	0.5
71.54906	0.5
71.55334	0.4
71.65481	0.5
73.02908	4.4
79.05462	2.4
81.03405	2.1
81.07042	4.7
83.08631	0.5
85.02886	7.6
87.04462	1.3
89.06027	1.6
91.03941	4.9
91.05478	1.7
93.07018	2.3
95.04962	0.7
95.08585	2.6
97.02878	7.0
97.10166	0.5
99.04449	1.0
101.02350	2.4
105.07033	1.0
107.08586	1.2
109.02873	1.4
109.10124	3.8
111.08080	0.5
115.03936	0.7
117.07011	0.5
117.91114	0.6
119.08530	0.8
121.10146	1.8
127.03907	2.0
127.92203	0.4
130.08614	0.9
131.08527	0.5
133.08600	1.6
133.10135	0.7
135.11705	0.5
145.05017	0.8
173.11722	0.9
185.04219	0.8
187.14819	0.5
195.09944	0.8
203.05243	0.7
208.67281	0.4
213.77542	0.5
229.14319	0.8
243.08348	2.1
246.20773	0.5
335.25772	1.3
347.09427	2.8
365.10626	1.5
405.13620	7.2
413.17761	6.3
425.81000	0.5
519.29248	8.2
520.29980	0.6
575.22888	4.7
681.34644	7.9
691.39709	2.5
853.45392	100.0
854.45978	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	856.5396
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	0.9
63.52266	0.7
65.03928	1.5
67.05492	36.8
68.05816	0.8
69.03421	2.0
69.07057	22.0
70.06570	1.5
71.04979	3.4
74.60467	0.6
79.05476	31.2
81.03401	3.2
81.07041	100.0
83.04964	6.4
83.08601	12.9
84.08134	1.1
85.02875	0.9
85.06533	3.0
86.09667	0.7
91.05464	25.8
93.07024	25.7
95.04956	12.2
95.07976	1.2
95.08588	25.3
97.02882	1.3
97.06501	10.3
97.10153	2.4
99.08086	2.8
100.27222	0.7
105.07010	31.2
106.07353	0.7
107.04932	7.9
107.08573	19.9
109.06492	28.1
109.10126	9.6
111.04427	1.2
111.08060	4.7
115.05439	0.8
116.07084	1.6
117.06986	7.5
119.08556	23.2
121.06474	4.5
121.10123	14.8
123.08040	7.7
123.11675	8.0
125.09652	1.6
127.07540	0.8
129.06998	3.6
131.08537	12.6
133.06468	1.3
133.10097	17.2
135.08025	4.0
135.11685	8.0
136.27156	0.7
137.09579	4.6
137.13252	0.7
137.34254	0.6
139.11183	0.9
143.08540	2.8
145.06465	1.3
145.10095	11.1
147.08046	1.8
147.11656	19.9
149.09599	8.4
149.13220	7.6
151.07556	1.0
151.11198	2.4
155.08560	0.9
157.10106	4.1
159.08047	1.1
159.11679	9.4
161.09615	0.7
161.13213	4.5
163.11147	5.7
163.14804	2.7
165.12746	6.0
169.10130	1.5
171.11603	3.5
173.09610	1.2
173.13210	4.4
175.11226	2.5
175.14818	1.0
177.11389	1.0
177.12796	2.7
179.14403	1.4
183.11710	1.3
184.07304	0.9
185.13297	1.1
187.11208	1.3
187.14868	1.9
189.12604	1.3
191.14279	1.4
192.66986	0.7
193.12184	1.7
197.13232	1.5
201.12778	1.3
205.12230	0.8
207.13777	1.3
215.14412	0.8
215.17953	0.8
219.13844	0.8
229.19550	2.4
229.56436	0.7
233.15508	1.2
239.18008	2.6
247.20476	4.2
257.18896	4.3
267.15811	1.4
268.16364	0.8
275.20010	58.0
276.20355	1.4
293.21051	10.2
349.23657	48.8
350.24359	1.5
367.24728	74.1
368.25244	2.5
369.02289	0.8
459.31107	0.9
467.17068	1.0
496.16556	0.8
540.89490	0.8
567.40430	1.4
583.21283	3.3
611.25378	0.9
623.42950	40.2
624.43439	2.8
641.43994	53.2
642.44672	3.3
643.23853	3.6
659.45068	49.1
660.45490	3.5
856.56189	3.0
884.11206	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.6075
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04989	11.7
61.02914	0.7
65.03934	0.4
66.11637	0.3
67.05491	5.1
68.05830	0.7
69.03408	0.6
69.07053	1.9
69.75482	2.4
70.06583	0.4
71.04988	0.9
71.08616	43.9
73.02902	2.0
73.06544	4.8
79.05486	1.2
81.07042	2.5
82.07381	0.4
83.08588	2.0
84.09004	0.3
85.02877	1.0
85.10165	38.7
86.09720	0.4
87.04451	23.4
88.07637	0.5
89.06011	100.0
91.03939	0.6
91.05472	0.9
91.07556	0.7
93.07038	1.0
95.04951	0.8
95.08578	1.6
96.08923	0.8
97.10139	0.4
99.11698	3.5
100.07646	0.4
101.05990	0.5
103.07561	6.5
105.06994	0.4
107.07050	4.7
107.08561	0.5
109.10134	3.8
110.10472	1.1
113.06000	1.3
115.07557	0.5
117.09110	6.0
119.08517	0.5
121.10110	0.6
130.08607	5.6
131.07021	7.8
131.10660	0.5
133.08575	77.3
134.08945	0.5
135.10147	0.7
141.16324	3.5
149.02321	0.8
151.09625	0.7
157.08604	0.9
159.10149	0.7
161.11694	2.0
173.11694	1.2
175.09642	6.2
175.13225	0.5
177.11185	35.7
179.12697	0.9
191.12679	0.5
193.05002	0.6
193.10829	0.3
199.20549	4.2
219.12271	2.5
221.13800	7.1
223.15402	1.2
229.14348	3.5
230.14584	1.9
231.14938	0.4
237.13214	0.4
239.14822	2.5
243.23166	5.9
261.22095	0.7
262.22464	0.6
263.14764	0.4
265.16431	1.5
267.17929	0.8
283.17441	2.9
287.25632	0.6
309.18906	1.0
311.20563	0.4
327.20203	2.0
335.25732	1.6
336.25934	1.7
337.26312	1.1
351.20026	0.4
353.21686	1.4
371.22556	1.3
397.24161	1.4
415.25137	0.7
441.26514	1.1
459.27783	0.6
485.29666	0.8
489.35397	1.1
490.35843	1.6
491.36240	1.6
529.31689	0.7
547.33002	0.5
573.48517	0.6
591.35486	1.2
617.37274	0.7
635.38300	6.6
675.41180	1.4
833.56946	1.9
850.41486	0.8
850.60876	8.9
851.60718	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04989	3.5
59.98867	0.3
61.02915	10.8
65.03923	1.7
67.05492	96.6
68.05815	1.4
69.03410	2.5
69.07053	8.8
69.88384	1.8
71.04984	3.6
71.08619	0.9
73.02898	3.9
79.05479	21.9
81.03397	1.4
81.07040	41.0
82.07382	0.5
83.04977	1.3
83.08601	9.1
84.08133	0.4
85.02889	15.2
85.06518	3.7
85.10169	0.5
87.04468	0.5
89.06036	0.4
91.03939	9.6
91.05463	14.0
91.51009	0.3
92.05764	0.5
93.07024	28.5
95.04957	2.6
95.08588	31.5
96.04486	0.8
96.08942	0.7
97.02872	7.8
97.06498	1.7
97.10139	2.8
99.04444	1.0
99.08092	1.1
103.03932	0.6
105.07008	8.4
105.07686	0.7
107.08571	16.5
108.08907	0.4
109.02898	0.7
109.06512	0.7
109.10134	82.9
110.10482	1.1
111.08054	3.9
113.09614	0.5
115.03893	0.8
117.05502	0.3
117.06995	3.5
119.08559	12.5
120.08872	0.4
121.10120	14.1
122.10488	0.4
123.11681	4.1
125.09576	1.8
127.03892	3.8
127.11195	0.4
130.08669	0.5
131.08536	6.6
133.10101	6.4
135.07939	0.4
135.11664	9.2
136.12039	0.4
137.09598	3.8
137.13229	1.4
139.11183	0.4
143.08525	0.7
145.04927	4.4
145.10091	4.8
147.11652	4.4
149.13211	6.0
151.11159	0.4
151.14810	0.4
153.12682	0.4
155.10614	3.9
157.10078	0.7
159.11638	4.6
161.13232	4.0
163.05986	5.5
163.11244	0.4
163.14798	3.4
165.12793	0.5
173.11740	22.2
173.13235	4.2
174.12201	0.4
175.14816	1.1
177.16385	0.9
180.08652	0.6
185.13237	0.6
187.14766	2.8
189.11189	1.1
189.16220	0.5
191.14241	0.4
199.14818	0.4
201.16379	1.0
213.14861	0.5
219.17355	0.4
227.12720	6.5
229.14299	100.0
230.14610	2.4
233.22638	1.2
243.21049	6.3
258.30338	0.3
259.20486	0.4
261.22092	24.4
262.22485	1.1
299.23669	0.5
317.24692	3.5
322.21872	0.3
335.25726	83.3
336.26089	3.5
353.26682	0.3
373.18500	0.4
379.29810	0.8
397.30878	2.2
415.31989	1.2
459.92822	0.4
471.34418	2.5
489.35657	87.2
490.36008	5.4
507.36755	10.1
508.37262	0.6
633.39862	1.1
848.47150	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.6288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04994	39.4
67.05495	1.0
69.07059	2.8
69.35791	3.9
69.36198	1.4
71.08622	100.0
73.02904	1.8
73.06554	2.3
81.07037	1.2
83.08622	2.6
85.10172	86.9
87.04455	13.9
87.08076	0.7
89.06020	65.5
90.01924	0.9
95.08585	0.9
97.10154	4.3
99.08081	0.7
99.11717	16.6
101.06003	1.0
101.09661	3.5
103.07570	1.3
107.07052	2.6
113.13261	6.6
117.09119	15.0
119.10680	0.7
124.98705	0.6
130.08623	4.4
131.07034	4.7
133.08588	55.2
135.10150	0.9
136.13271	0.6
147.10229	1.0
155.17914	14.0
158.11687	1.1
159.10179	0.6
161.11789	1.3
173.11665	0.6
175.09673	4.3
177.11200	27.0
194.12520	0.6
213.22101	27.3
219.12231	2.1
221.13800	5.7
239.14835	2.0
254.24693	2.4
257.24796	0.6
265.16351	1.1
271.26279	32.3
283.17471	3.0
289.27655	0.6
309.19058	0.8
322.12512	0.6
327.19897	1.9
353.21530	0.6
371.22693	0.8
397.24060	0.9
402.60938	0.6
415.25394	1.1
459.27582	2.1
470.51215	0.7
485.29330	1.0
503.30545	13.4
543.33801	2.8
561.34070	2.0
601.37732	1.4
645.05402	0.8
848.62982	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	848.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04993	3.2
61.02916	10.1
65.03929	2.4
67.05493	87.2
68.05828	1.1
69.03409	2.3
69.07056	6.4
70.06573	0.6
71.04975	3.2
71.08614	1.3
71.52878	0.5
73.02901	4.1
73.06570	0.5
79.05477	15.7
81.03395	1.3
81.07041	34.6
82.07391	0.8
83.04990	0.5
83.08605	7.6
84.08119	0.9
85.02890	12.4
85.06525	3.3
87.04459	0.9
89.06020	0.4
91.03938	8.4
91.05463	11.6
91.44939	0.3
92.05808	0.6
93.07027	22.1
94.07364	0.4
95.04960	1.9
95.08591	25.5
96.04485	0.7
96.08911	0.5
97.02874	6.2
97.06520	1.3
97.10152	2.4
99.04424	1.3
99.08066	0.9
103.03935	0.6
105.04519	0.4
105.07011	6.9
106.07378	0.3
107.04932	0.5
107.08577	12.4
109.02883	0.3
109.06525	0.9
109.10136	75.5
110.10481	1.2
111.08061	2.9
112.74427	0.4
113.09591	0.4
115.03921	0.6
117.06989	2.9
119.08566	9.5
121.10123	10.1
123.08054	0.8
123.11672	3.7
125.09619	1.4
127.03889	3.3
127.11155	0.5
130.08633	1.2
131.08539	5.7
133.06483	0.5
133.10104	4.4
134.10402	0.4
135.08037	0.7
135.11673	7.5
137.05911	0.4
137.09567	3.6
137.13200	1.0
139.11189	0.7
145.04933	4.1
145.06038	0.5
145.10094	4.5
147.11639	3.5
149.13248	5.0
151.11160	0.4
151.14835	0.3
155.10631	4.0
157.10063	0.5
159.11670	3.2
161.13219	3.0
163.05991	4.3
163.11273	0.6
163.14830	1.9
167.07005	0.6
171.11647	0.4
173.11748	20.4
173.13242	3.8
175.14781	1.4
177.12683	0.4
177.16354	1.5
179.14375	0.5
180.08662	0.4
181.08505	0.4
185.13184	0.6
187.14822	1.2
189.11259	0.8
193.08553	1.8
195.10089	0.5
196.50378	0.4
201.16394	0.4
203.14449	0.4
211.09615	2.6
213.14812	0.6
218.99773	0.4
227.12744	6.4
229.14305	100.0
230.14610	2.6
233.22534	0.4
243.21016	4.7
259.20450	0.5
261.22095	17.8
262.22424	1.0
279.22800	0.4
317.24661	3.0
335.25739	66.2
336.26239	2.5
343.77850	0.3
361.75708	0.4
373.18546	0.5
379.29932	1.1
395.27982	0.4
397.30920	1.9
415.31897	2.1
433.33157	0.8
435.30984	0.5
449.32565	0.5
471.34869	2.1
489.35678	53.2
490.36093	3.6
507.36746	8.9
508.36826	0.6
717.92889	0.4
788.32465	0.4
848.48560	0.5
852.34155	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.6283
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04991	45.7
69.07049	3.2
71.08619	100.0
71.13407	1.2
71.13728	1.2
73.02905	1.5
81.07038	1.5
83.08594	4.1
84.08104	1.3
85.10168	94.0
87.04456	10.7
89.06015	45.5
94.20107	0.8
95.08593	1.5
97.10157	2.0
99.08104	0.9
99.11707	10.4
101.06017	1.8
101.09656	4.1
103.07542	2.6
107.07075	1.5
113.73821	0.8
117.09114	18.6
125.70523	0.9
129.09195	1.1
130.08601	4.7
131.07031	3.7
133.08578	34.8
141.16347	11.1
158.11787	1.4
161.11736	1.7
168.20413	0.8
175.09583	2.4
177.11194	16.4
177.75577	1.0
189.54955	0.9
199.20532	30.5
213.22047	1.3
219.12299	1.0
221.13832	3.7
223.15166	1.0
240.23143	1.9
257.24719	35.7
259.19974	0.9
283.17462	1.7
315.28897	3.0
327.20016	2.2
433.95163	0.9
459.22171	1.0
459.28036	11.1
472.79407	1.0
499.30847	1.4
517.31982	1.8
607.28583	2.3
701.74835	1.1
848.63312	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	842.5598
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91902	1.1
59.04979	1.2
61.02911	3.2
65.03917	3.2
67.05493	95.1
68.05801	2.0
69.03404	4.4
69.07056	23.8
70.06577	1.9
71.04971	4.9
71.08608	3.5
73.02933	1.5
76.64561	1.3
79.05479	49.8
81.03382	2.4
81.07040	73.4
83.04950	3.9
83.08604	18.5
84.08127	4.1
85.02898	3.4
85.06524	4.0
85.08498	1.3
91.05470	30.9
93.07024	61.1
95.04939	8.5
95.08590	53.5
97.02879	1.8
97.06503	8.1
97.10141	11.4
98.20709	2.8
99.08093	1.8
105.07014	26.0
107.04907	4.3
107.08578	38.0
109.06516	6.1
109.10139	43.3
111.08040	6.1
116.07078	3.2
117.06989	9.2
119.08558	22.0
121.06469	3.0
121.10117	23.3
123.08044	3.0
123.11683	9.5
124.80952	1.2
125.09606	7.4
127.03918	1.4
129.06953	1.6
130.08632	5.2
131.08521	15.8
133.10115	15.9
135.08012	4.1
135.11650	14.8
136.12053	1.3
137.09596	3.3
137.13225	1.6
143.08508	2.3
145.10094	14.3
147.08008	1.5
147.11664	12.9
149.09604	3.5
149.13245	12.2
155.10620	2.1
157.10124	2.4
159.11667	12.3
161.13261	4.9
163.11066	2.4
163.14783	3.0
165.12730	1.5
169.10156	1.5
171.11707	3.1
173.11723	6.0
173.13248	7.5
177.12718	1.4
183.11642	1.7
184.07272	2.2
185.13237	1.6
187.14783	2.4
189.11160	4.0
197.13319	1.6
201.16405	1.4
205.15732	1.4
227.12726	12.5
229.14287	32.7
243.21082	3.2
245.13763	6.4
257.18994	4.1
261.22095	13.9
269.17413	14.6
275.19998	20.7
276.20523	1.3
293.21014	3.9
313.27222	5.1
317.24643	2.3
331.22696	1.8
335.25739	100.0
336.26038	5.0
349.23703	18.9
367.24780	14.0
418.47534	1.3
424.59280	1.6
471.34525	1.8
483.36591	4.1
489.35690	30.5
490.36127	2.1
505.35547	2.2
507.36658	4.7
529.38812	53.8
530.39093	3.7
533.27026	2.3
534.11340	1.3
569.41791	1.7
596.78174	1.8
609.45007	37.1
610.45538	2.9
627.46185	25.5
633.39642	1.5
673.41699	1.6
842.51526	5.8
843.48602	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	844.5048
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	1.8
63.20823	0.2
67.05490	5.3
69.03400	1.1
69.07037	1.1
71.55309	0.5
71.73771	0.3
72.85412	0.3
73.02882	1.0
79.05477	4.0
81.03400	0.7
81.06570	0.4
81.07038	5.8
83.04974	0.3
83.08590	0.8
85.02891	1.6
86.09682	0.5
91.03941	1.1
91.05444	2.1
93.07016	5.0
94.04016	0.3
95.04936	0.6
95.08587	3.3
97.02854	1.3
99.08066	0.3
105.07016	1.3
107.08571	2.5
108.44009	0.3
109.02824	0.3
109.10147	1.4
111.08040	0.5
117.07006	0.7
119.03529	1.0
119.08542	1.0
121.10107	1.4
123.11654	0.5
131.08517	0.9
133.10115	0.7
135.11647	1.0
136.06155	100.0
137.04549	1.6
137.06519	0.7
145.10062	0.5
147.11681	0.5
148.06232	0.3
149.13217	1.5
150.66339	0.3
159.11665	0.8
174.07762	0.3
184.07307	0.7
192.08716	0.4
254.94908	0.3
261.22159	0.3
269.17462	0.6
271.97101	0.3
286.16504	0.6
302.19882	0.5
312.18338	0.4
316.03601	0.4
330.19174	14.2
331.19727	0.5
335.25766	1.8
348.20245	1.4
360.20844	0.4
386.21948	0.3
404.22812	2.2
422.23825	7.0
422.29041	0.5
423.24530	0.4
472.45923	0.3
492.24472	0.4
618.46356	0.4
664.44116	0.8
682.45221	39.0
683.45673	2.5
759.44171	0.3
844.50427	17.9
845.50482	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	841.312
Annotation	Unknow
Peak:m/z	Relative Intensity
64.22727	2.2
64.79519	2.5
67.05479	5.6
68.05007	3.2
69.07053	10.9
69.48717	15.3
69.49155	4.7
70.06578	13.9
72.08141	4.9
76.98758	2.2
77.52824	2.3
79.05460	2.7
84.04489	2.4
84.08136	5.6
85.02881	5.9
86.09700	5.8
89.59415	2.2
91.05468	5.1
94.06545	18.5
95.04978	5.2
96.04489	2.8
97.06496	3.1
100.12471	2.1
108.08089	4.0
110.06024	3.3
110.07143	3.0
112.07558	4.0
116.04986	2.5
120.04465	5.1
120.08131	4.2
122.06004	60.0
123.04414	4.8
124.07529	3.9
129.07013	2.6
129.10217	6.1
134.05956	15.4
136.07556	6.3
137.05946	6.3
138.05515	2.5
140.07040	97.8
144.04417	5.6
146.05988	36.9
147.06760	4.2
148.07526	30.7
150.05553	3.4
152.07045	5.0
161.05911	5.9
162.05446	11.8
164.07072	7.6
166.08559	4.5
167.06990	2.9
168.06532	2.4
172.03906	47.6
172.07600	2.5
173.04688	3.8
174.05463	40.5
174.06868	2.7
176.07024	70.8
177.05424	3.6
178.05003	8.5
183.14906	2.1
187.07388	2.7
188.07057	2.5
190.04956	25.0
191.05736	7.7
192.06468	20.9
193.07359	3.6
194.08060	12.8
200.06802	2.3
202.70670	2.2
204.06525	74.6
205.06937	3.4
206.08037	19.0
207.10130	3.4
208.06126	2.7
208.09673	8.8
210.07642	3.6
213.10139	2.7
216.10156	4.7
218.08057	3.8
221.11186	2.7
222.07594	4.6
225.10323	4.1
225.81183	2.1
226.11023	3.0
236.09393	2.6
237.10249	6.5
238.11047	3.4
239.11761	7.8
241.09555	3.5
243.11221	10.7
244.09657	3.3
246.07759	3.7
249.11305	17.8
250.10968	4.8
251.11829	7.8
252.08820	3.5
255.11205	3.4
256.11957	3.1
259.10721	3.6
261.12366	8.5
262.10944	9.5
263.07965	2.7
263.11923	12.3
264.12717	4.9
265.09674	13.2
265.13315	5.4
266.10425	11.4
267.11267	7.9
271.10776	4.6
272.05493	6.3
275.11786	5.7
276.08829	3.6
277.09680	22.9
278.10410	8.1
279.11102	34.1
280.08090	7.5
280.11884	6.8
281.09219	2.6
281.12836	3.6
283.10718	6.4
285.12268	13.0
287.10764	3.7
287.13809	35.7
289.09808	4.6
291.11179	10.3
292.11987	2.7
293.12787	11.5
294.13431	2.8
295.10754	9.1
295.14053	2.6
296.11484	10.4
297.12283	24.3
299.10754	2.5
299.13962	3.5
303.04971	2.9
303.13760	18.1
305.09222	19.0
306.09839	19.9
306.13013	3.5
307.10712	30.6
307.14066	3.5
309.12262	9.5
310.12918	5.5
311.13824	6.1
313.11752	45.4
315.13504	5.1
319.10681	9.7
320.11298	4.2
321.12228	42.8
321.15601	3.6
322.09210	8.1
322.13010	25.6
323.10211	10.3
323.13657	2.9
324.07529	3.0
324.10983	14.3
325.11780	9.1
331.13013	19.8
335.10208	3.1
336.06995	3.2
337.11765	20.0
338.08618	11.1
338.12350	4.8
339.13358	20.9
340.10236	21.4
340.13959	3.6
345.14542	39.8
347.10153	8.3
347.16071	4.0
349.11743	6.7
351.09464	3.5
351.13379	3.3
352.10577	4.3
356.13782	3.0
363.09534	4.1
363.15201	3.2
365.11307	12.8
366.12137	17.2
367.12589	4.8
368.13861	3.5
371.16309	3.3
372.13440	2.8
373.14117	15.1
374.14908	4.7
375.10083	3.0
377.11325	5.4
383.12381	2.7
386.14911	4.0
387.15701	6.1
388.16660	2.9
391.08932	4.6
393.10715	4.8
395.12329	3.5
396.12930	3.5
398.14676	8.5
399.15912	4.0
400.16498	3.9
402.14096	3.0
404.16125	3.4
405.10812	4.0
405.16443	2.3
406.17563	3.2
407.12741	2.5
415.15115	3.6
416.16019	27.1
417.16296	2.6
424.12415	3.0
425.13495	4.2
426.13681	2.5
433.09927	4.1
433.16205	3.7
434.17065	6.1
435.11835	3.0
437.13495	4.0
446.16901	4.9
448.18802	2.5
449.13428	2.7
450.10129	4.6
451.11264	19.1
452.12027	6.5
453.12750	16.0
456.15503	4.3
458.17001	8.1
462.20319	2.9
467.14508	9.9
469.12433	4.1
474.16058	12.2
475.17227	4.0
476.18207	14.6
477.12454	4.1
478.19858	3.2
479.15854	4.5
483.13864	6.0
485.15353	2.8
492.17804	6.7
493.12079	7.9
495.13901	9.7
496.14523	8.7
497.17270	7.3
510.22391	5.5
511.13260	28.3
512.14117	7.2
513.15015	29.7
531.16443	5.0
538.21289	2.7
543.15985	12.2
545.16986	5.0
563.18262	2.9
566.20422	2.9
575.14868	3.9
589.26428	14.4
599.24261	3.9
608.22382	3.3
615.24524	48.7
617.26270	13.4
624.21545	3.4
626.23364	10.4
631.27167	3.5
633.25458	72.3
634.26099	2.5
635.26563	8.7
647.27185	18.5
649.28186	7.6
650.19659	3.1
652.21240	100.0
653.21344	6.4
661.24664	3.3
666.23083	4.2
668.20831	16.0
670.22003	6.9
684.23804	51.4
700.23260	5.3
773.25525	6.4
791.27551	20.4
809.29053	22.1
823.29883	3.8
841.31653	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	841.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57088	1.6
65.03931	3.7
67.05488	6.6
68.05016	2.2
69.03426	1.8
69.07059	14.3
70.06577	17.3
71.04961	1.8
71.52930	2.0
72.08132	4.8
73.02925	2.5
79.05445	2.1
80.05018	1.5
81.03381	1.6
84.08129	7.0
85.02856	2.5
86.09681	4.5
89.03893	2.3
91.05458	3.5
91.42564	1.4
93.07023	2.6
94.06544	27.3
95.04949	6.4
95.08604	2.4
96.04452	2.6
97.06501	2.1
101.07065	1.5
101.27809	1.5
105.07014	4.1
106.06509	2.4
107.04968	1.5
108.04450	2.4
108.08111	2.2
109.02874	1.9
109.06535	1.5
110.06033	5.1
112.07571	5.9
116.04954	5.4
116.07119	1.4
118.06509	3.3
119.04975	1.9
120.04436	3.7
120.08089	5.5
121.05211	2.8
121.06461	2.1
122.06001	79.1
123.04408	3.5
124.07565	4.5
125.05995	1.7
126.05495	3.1
129.10239	2.7
130.06503	1.7
131.08531	1.3
134.05989	9.0
136.07558	7.4
137.05972	3.2
138.05382	3.0
140.07033	94.9
144.04427	12.1
145.05125	2.1
146.05977	53.6
147.04417	2.0
147.06757	6.5
147.07921	1.5
148.07544	20.9
150.05435	1.8
152.07030	4.4
154.08585	1.6
160.07573	3.6
161.05934	2.4
162.05479	11.5
162.07657	2.1
162.09042	2.4
164.07042	4.8
166.08592	3.2
167.07066	2.7
172.03896	78.7
173.04660	6.3
174.05470	51.5
176.07028	50.6
177.05377	3.2
177.07689	2.0
178.08649	1.7
180.06577	1.7
188.06937	3.3
190.04941	32.4
191.05681	6.5
192.06471	14.6
193.80675	1.8
194.08134	3.3
198.09187	1.9
199.08665	2.1
201.10292	1.6
203.10243	1.6
204.06512	100.0
205.06934	4.1
206.08083	30.3
208.06075	1.8
208.09695	5.4
208.16257	1.3
209.07964	1.6
210.11650	1.5
211.08574	1.9
211.12302	2.7
212.09251	1.6
213.10139	3.0
216.10275	4.2
216.39571	1.9
217.13358	1.8
220.06036	1.6
221.10545	1.7
222.07578	5.3
223.08386	1.7
223.12378	1.8
224.09344	2.3
225.10188	6.1
226.10794	1.7
227.11722	2.1
229.09698	1.9
234.07536	1.6
234.11423	2.3
237.10104	9.0
238.10905	5.5
239.08109	2.0
239.11739	6.5
241.09656	3.8
243.11179	10.3
244.09656	3.4
248.09032	1.4
249.10147	7.8
250.07101	1.9
250.10919	4.2
251.11835	10.5
252.12440	2.3
253.09669	4.7
253.13371	2.6
255.11340	5.1
257.12830	3.5
259.10834	2.6
261.12460	10.5
262.11038	3.3
263.08170	2.9
263.11731	8.3
264.08841	3.2
264.12500	4.0
265.09668	18.9
265.13120	4.1
266.10449	10.2
267.11172	12.0
269.09155	3.2
269.12833	3.3
272.05569	1.6
275.11929	3.3
277.09680	7.8
277.13226	2.9
278.10452	7.0
279.11099	34.0
280.08560	2.5
280.11948	9.6
281.09158	2.0
281.12860	4.5
283.10687	8.6
284.11554	3.0
285.12317	17.5
287.10614	2.1
287.13858	13.9
290.10349	2.1
291.11044	7.8
292.12030	3.1
293.09186	4.5
293.12817	8.7
295.10696	12.0
296.11554	5.2
297.12381	18.7
298.13028	5.5
299.10126	4.6
299.13629	3.3
300.12140	2.4
301.11804	4.7
303.10867	4.1
303.13559	4.8
305.09415	7.0
305.12424	3.1
306.09869	7.2
307.02927	1.8
307.10669	23.8
308.11551	3.6
309.12277	9.6
310.12988	3.1
311.10364	2.2
311.13940	6.7
312.14984	1.8
313.11734	46.3
314.12662	1.7
315.13446	1.7
317.09109	2.1
317.12714	2.6
319.10648	6.9
321.12265	21.7
322.09384	2.9
322.12717	6.8
323.10187	7.5
323.13788	5.6
324.11026	6.4
325.11835	12.6
326.12698	2.3
327.09485	2.1
327.13400	2.8
329.12360	1.9
331.12872	28.3
335.10165	3.1
337.11688	9.0
338.08728	3.1
338.12619	3.8
339.13385	15.1
340.10202	3.6
341.14954	2.1
344.14175	1.7
345.14413	56.7
346.15073	3.0
347.10086	3.3
349.11740	4.7
351.09677	2.7
351.13669	2.0
353.11270	7.8
353.15054	2.4
358.11514	1.9
358.15488	2.1
360.17166	2.5
363.09558	1.8
363.15399	6.0
365.11230	5.7
366.12170	9.3
367.12921	7.1
368.13779	3.9
369.14523	3.5
370.15411	3.6
371.15973	4.5
372.13315	4.1
373.14209	7.9
374.15042	9.1
375.09537	2.2
377.11206	2.9
380.13742	2.2
382.15698	3.0
383.12357	4.6
384.13452	3.5
386.15030	5.2
387.15817	3.4
388.16452	6.6
392.16058	1.9
395.12119	3.4
396.13080	2.2
398.14868	8.8
399.15646	6.6
400.16855	3.9
402.14139	1.8
407.12372	2.6
408.13028	2.8
410.14908	2.3
411.11533	2.5
414.14111	2.5
415.15268	6.8
416.15967	23.0
417.16531	1.7
418.17078	2.7
425.13455	4.2
426.14258	3.6
427.15305	2.3
428.15900	3.0
430.17868	3.0
432.19406	2.4
433.16071	3.5
434.16986	9.7
438.14529	2.7
440.15735	2.9
443.14301	3.9
446.16986	3.0
450.14771	2.2
451.11392	5.4
452.11536	2.3
453.12836	11.9
454.13766	5.8
456.15152	5.4
458.16995	12.5
461.15482	8.7
466.19476	2.5
467.14346	5.4
468.15479	3.3
469.11572	2.0
470.17166	1.9
474.16266	8.3
475.17426	4.0
476.18033	13.4
478.19290	2.2
479.16153	5.3
480.16870	1.6
482.13251	1.8
484.14874	3.7
486.16406	3.0
490.19388	4.6
492.16537	2.2
493.11981	3.4
494.19016	4.4
495.13354	2.5
496.14832	4.7
500.14462	2.7
510.16168	1.9
511.13181	25.5
512.13330	2.6
513.14838	16.7
514.15381	2.0
524.14044	4.4
526.15588	3.6
534.16357	3.6
540.23517	2.4
542.15338	3.6
543.15961	6.5
544.16699	3.6
552.17352	4.2
556.16888	1.9
570.18921	2.1
584.16351	1.9
599.24738	4.3
605.25769	1.9
614.17389	6.3
615.24530	36.6
616.25806	2.9
617.26056	4.4
632.18689	12.8
633.25836	16.6
634.19672	3.8
635.26263	2.3
647.26794	8.5
650.19836	9.4
651.20001	10.2
652.21246	41.9
655.24243	1.8
665.22882	1.8
668.20612	12.9
669.20911	2.7
675.24432	9.7
682.22083	3.6
683.23431	7.6
684.23584	18.6
693.25238	7.9
700.23175	3.5
701.24042	4.7
711.26135	3.4
725.23743	5.5
731.25623	2.2
737.23627	6.7
743.25317	3.9
755.25208	19.8
773.26379	20.6
791.27484	95.0
792.26849	6.5
805.30157	3.6
809.28564	31.6
823.29962	10.2
841.30933	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	839.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	41.4
64.02029	4.4
67.05493	66.5
67.06620	3.9
69.07045	11.6
69.21387	43.2
69.21800	7.7
70.06559	6.0
72.89063	3.8
73.02894	12.9
79.05482	35.0
79.30283	4.0
81.07045	70.3
83.04949	4.3
83.08605	13.5
84.08109	4.9
85.02892	56.4
85.58764	6.0
91.03944	65.2
91.05456	14.6
93.07024	46.7
95.08591	53.9
97.02893	29.7
97.06509	5.1
98.21516	9.2
105.06995	16.5
107.08578	38.5
109.10133	38.9
111.08035	5.1
117.06994	10.0
119.08560	12.5
121.10127	26.1
123.11666	14.3
127.03918	22.1
131.08554	18.8
133.10091	18.1
135.11678	17.3
136.50037	4.4
137.13213	6.5
145.04964	27.4
145.10100	15.9
147.11646	10.0
149.13235	21.3
159.11655	15.6
161.13235	11.9
163.05997	78.4
163.14743	19.0
173.13251	12.4
177.16295	6.1
187.14816	6.4
243.21039	31.4
261.22092	100.0
335.25635	23.5
353.26865	62.8
570.86768	5.1
686.60358	5.5
753.80005	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	839.4242
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38999	1.2
61.02916	35.8
62.57646	1.1
65.03928	2.9
67.05491	62.4
69.03404	5.8
69.07060	12.2
70.06564	1.8
71.04977	2.9
71.08624	1.5
72.08147	1.7
73.02904	16.4
75.04465	1.5
79.05475	34.4
81.03407	3.5
81.07040	74.3
81.52429	1.1
83.04980	2.2
83.08583	7.5
85.02886	51.9
85.06540	2.3
87.04416	1.7
90.43464	1.2
91.03937	50.1
91.05465	20.8
93.07024	51.2
95.04958	4.0
95.06064	1.5
95.08589	61.4
97.02874	20.3
97.06509	3.8
97.10133	2.7
99.04430	1.9
99.08061	2.2
105.07005	13.4
107.08576	30.7
109.02837	2.4
109.06526	1.4
109.10131	38.0
111.08044	1.6
113.09574	1.5
115.03922	3.0
115.05445	1.2
117.07002	8.1
119.08556	12.7
121.10120	28.4
123.11669	18.1
125.09601	1.6
127.03882	20.5
131.08551	16.2
133.10107	14.4
135.11662	25.3
137.09581	1.7
137.13249	7.0
139.11174	2.2
145.04933	27.6
145.10088	13.9
146.08061	2.4
147.11665	10.9
148.11812	1.2
149.02313	1.7
149.13242	27.0
151.11136	2.1
151.14790	3.4
153.12740	1.3
159.11653	12.3
161.13206	13.1
162.07611	2.1
163.05991	49.6
163.11177	1.4
163.14767	16.0
165.12749	2.8
173.13203	14.3
175.14807	3.9
177.12775	1.9
177.16319	6.7
179.14291	3.0
187.14789	7.7
191.14278	1.4
193.05093	1.4
201.16335	3.5
205.15872	2.3
215.17943	1.3
223.59155	1.1
233.22559	3.1
243.21062	38.1
244.21347	1.6
261.22076	100.0
262.22339	3.2
263.23611	2.1
279.23221	2.9
317.24292	1.5
324.30405	1.7
325.11118	2.9
335.25735	38.4
353.26794	71.8
354.27118	2.9
461.28790	1.5
479.29721	2.3
497.31122	11.2
498.31177	1.7
659.35944	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	836.5922
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04708	0.9
59.04991	13.7
67.05485	2.7
69.07047	2.4
70.06575	1.3
71.04989	1.2
71.08620	62.3
73.02898	1.9
73.06544	6.2
79.05474	1.8
81.07039	2.8
83.08606	2.2
84.08110	0.8
85.02913	0.9
85.10168	34.5
87.04456	24.4
89.06016	100.0
90.06335	1.0
91.05455	1.0
93.07030	1.6
95.04969	1.0
95.08586	1.7
97.10151	1.3
98.35735	0.7
98.65689	0.7
103.07581	5.4
107.07037	4.8
107.08597	2.1
109.10176	0.8
113.05984	0.9
117.09103	5.7
119.08529	1.2
121.10101	0.9
127.14796	3.3
130.08609	5.5
131.07002	8.1
133.08578	74.1
135.10138	1.4
136.06192	1.7
141.16408	0.8
151.09695	1.1
161.11705	2.6
161.13161	0.8
168.51343	0.8
173.11797	0.7
175.09630	5.6
177.11200	30.8
179.12773	1.3
185.18954	6.2
217.14330	4.0
219.12239	1.6
221.13788	6.0
229.21642	5.8
239.14996	1.9
261.22134	1.0
265.16379	0.8
283.17578	3.6
327.20181	2.3
335.25690	2.1
353.21640	1.6
385.18396	0.7
397.24182	1.0
415.25058	1.0
477.35916	2.3
490.91556	0.9
578.75415	0.8
635.38098	5.6
675.41766	1.6
793.55457	0.8
819.55676	0.8
836.59106	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	838.3824
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05621	0.5
68.05005	1.0
69.03397	0.3
69.07084	0.3
70.06580	50.1
71.04976	0.9
71.43195	0.5
72.08134	0.6
75.05590	9.8
76.03989	0.5
81.03437	0.3
82.06580	0.4
83.06082	2.0
84.04489	27.1
84.08120	0.8
85.02885	0.5
85.07647	1.6
86.09713	0.5
87.05582	0.3
88.02217	0.3
88.03957	0.5
88.07642	0.3
91.05463	5.8
93.07033	0.5
95.04976	0.4
95.06072	3.1
96.04469	1.4
97.07630	1.3
98.06029	1.1
99.09193	0.5
100.07632	0.4
101.07123	12.0
102.05520	2.7
103.05479	1.7
105.06981	0.5
107.04920	1.3
109.10169	0.3
112.08707	20.7
113.07102	3.8
113.09019	0.4
114.10250	0.7
115.08675	8.4
116.89036	0.3
118.06512	0.5
119.04923	4.9
120.08080	28.4
121.08444	0.3
122.06002	0.5
124.03941	1.6
124.08675	1.4
125.07075	0.7
129.06578	4.5
130.05016	0.6
130.06505	0.7
130.09697	0.5
131.04929	1.0
132.08058	1.7
135.06889	0.3
135.08002	0.4
136.07550	74.6
137.05948	0.8
137.07927	1.5
138.06470	0.3
139.08707	0.4
139.09729	0.3
140.08141	2.0
141.06555	3.7
145.02769	0.3
146.06033	0.9
147.04369	1.7
148.07565	3.2
148.08691	0.8
151.05026	0.8
151.07455	0.3
152.03398	2.8
152.08163	2.1
153.06569	0.4
157.10808	0.7
158.09271	0.5
159.07672	0.7
160.07588	1.0
161.05978	0.4
164.07008	0.3
167.08162	1.3
168.07715	0.6
169.06050	6.4
169.07414	0.4
169.10916	0.3
172.11247	0.7
176.07057	0.7
177.05466	0.8
177.10193	2.4
181.06180	0.4
181.09692	0.8
186.08733	6.4
187.07118	3.8
187.08669	0.4
188.10754	0.7
191.06964	0.4
193.09688	16.3
194.09998	0.4
195.07652	1.6
197.05579	0.4
198.08786	0.6
199.12273	0.8
200.10686	0.8
203.08192	1.1
205.09721	3.1
206.09262	0.4
212.10301	1.8
213.08710	1.5
214.13332	0.4
215.08243	1.1
216.14876	1.4
217.13332	1.6
220.07130	0.4
221.09166	4.3
222.12260	1.5
223.07126	1.3
224.10432	0.8
227.11777	0.6
230.11301	0.7
231.11426	0.4
233.09172	0.4
233.12886	0.5
238.12083	0.8
240.09822	1.0
241.08125	3.9
242.12898	3.6
243.11108	0.6
244.09456	0.7
244.14417	4.1
245.12907	0.7
248.10124	0.3
252.09796	0.4
258.10913	1.0
259.15497	11.5
260.13815	0.6
261.12350	0.6
263.06631	0.4
266.16235	0.5
270.12366	1.3
271.15591	0.5
274.31415	0.3
276.13422	0.4
278.15002	0.4
280.09360	1.2
281.07718	0.9
285.12411	0.5
286.11914	0.9
287.15039	2.2
288.13394	0.5
295.10602	0.3
295.14276	0.3
297.11951	1.3
298.10214	2.8
300.13422	0.5
303.14490	5.6
304.12781	2.2
305.16293	0.4
315.12549	1.5
316.13089	0.6
316.17725	0.7
323.13754	0.5
327.12671	0.3
332.12503	1.0
333.15628	1.2
335.17438	0.4
338.09799	0.8
343.44467	0.3
344.17276	1.0
355.12485	1.0
360.16632	1.9
361.15961	0.3
361.19788	1.4
377.19385	0.7
415.15768	0.5
417.18195	0.5
433.17557	0.6
444.23584	1.1
472.18079	0.5
489.20853	0.4
490.19489	0.7
494.88849	0.4
507.22882	0.4
525.81848	0.3
573.27686	0.7
601.27502	0.4
793.35101	0.3
821.36267	1.3
838.38220	100.0
839.38483	6.2
839.53650	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.6126
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07396	0.8
59.04988	27.0
69.07058	2.1
71.04990	0.7
71.08617	97.8
72.08958	0.8
73.02906	1.7
73.06537	2.9
73.18431	0.4
73.55090	0.4
81.07034	1.1
83.08586	2.6
85.10165	77.7
86.10487	1.6
87.04453	21.1
89.06013	100.0
90.06334	0.8
95.08582	1.2
97.10155	3.3
99.08089	0.5
99.11709	15.8
101.05991	0.9
101.09621	1.9
103.07560	1.1
107.07042	3.4
111.11715	1.0
113.05978	1.3
113.13246	5.0
114.38046	0.5
117.09107	9.8
129.09081	0.7
130.08621	4.4
131.07022	8.6
131.10654	0.5
133.08575	85.8
134.08958	1.0
135.10114	1.0
147.10129	1.4
151.09529	0.6
155.17915	12.3
157.08572	0.7
161.11655	1.6
173.11647	0.9
175.08452	0.5
175.09660	6.9
177.11189	39.1
178.11540	1.1
189.11165	0.5
190.72110	0.5
191.12701	0.7
193.10701	1.0
195.12180	0.7
213.22095	26.5
219.12227	3.1
221.13805	7.8
223.15240	1.1
224.63800	0.5
239.14847	1.4
254.24812	1.8
263.14798	0.6
265.13754	0.5
265.16232	2.7
267.18021	0.7
271.26270	11.9
283.17502	4.3
307.17139	0.7
309.18945	1.9
313.27252	1.1
327.19989	2.4
353.21478	1.6
371.22519	1.4
397.23935	1.6
415.24753	0.8
441.26669	1.2
459.27652	1.3
503.30103	1.6
529.31824	0.7
547.33160	14.7
548.33527	0.7
587.35663	2.2
605.36548	1.7
605.45782	0.5
645.39874	0.8
817.57092	0.6
834.61108	11.3
835.60724	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.5714
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04196	8.5
59.04990	46.4
67.05502	2.9
69.07055	4.7
69.27139	20.6
71.05006	2.0
71.08618	100.0
72.05756	16.5
73.02895	10.7
73.06544	24.0
75.04450	3.0
81.07056	2.6
83.08602	3.6
84.54974	1.9
85.09653	3.9
85.10168	72.2
87.04459	31.5
87.08054	3.4
88.07619	2.3
89.06020	33.7
90.01904	41.6
97.10152	3.5
99.11702	10.5
101.06025	3.7
101.21666	2.0
103.07528	11.7
113.13280	3.8
115.07539	3.0
116.08340	4.0
117.09109	30.1
131.06947	2.8
133.08569	21.2
135.10194	2.2
147.10150	5.1
155.17908	7.3
161.11740	5.9
169.12480	2.0
177.11197	10.9
178.07124	6.2
179.12663	2.3
183.17398	3.4
184.68739	2.4
194.13914	5.3
208.15430	4.7
213.22101	17.0
222.09711	8.9
222.16850	3.0
223.15372	3.1
238.16537	3.1
241.14957	2.9
252.18069	4.7
266.12170	2.2
266.19733	8.7
268.17380	2.7
271.26312	8.0
282.19119	2.9
285.17642	3.9
296.20615	8.7
310.22107	10.3
312.20258	4.2
326.21640	3.8
329.20441	2.4
340.23169	6.0
354.24750	10.0
356.22974	2.6
376.34021	5.0
377.28836	2.2
384.25742	2.6
414.52783	2.5
420.36795	6.6
442.29999	3.5
458.29599	3.1
464.39264	11.5
483.37622	2.1
508.41916	9.8
524.41656	2.7
548.29181	2.8
552.44525	8.4
555.45752	2.6
596.47241	13.7
612.46619	2.2
640.49298	3.6
656.49573	4.5
684.52289	31.9
685.53528	3.1
700.51801	6.4
728.54852	2.7
744.54218	5.0
835.56830	7.6
865.16193	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	834.6126
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07381	0.8
59.04989	43.7
67.05495	1.8
69.07063	3.4
69.18916	4.9
69.19332	1.3
71.08615	96.5
72.08949	1.7
73.02900	0.9
73.06544	1.8
79.05461	0.8
81.07034	1.6
83.08610	3.6
84.08152	0.8
85.06548	1.1
85.10164	100.0
86.10497	0.9
87.04453	15.3
87.08071	0.8
89.06010	66.9
93.07037	0.8
95.08570	0.9
97.10152	1.4
99.08042	0.8
99.11714	12.1
99.12320	1.0
101.06007	1.4
101.09050	0.7
101.09637	3.6
103.07554	1.9
107.07054	3.6
109.10091	0.7
111.11696	0.8
113.06029	0.6
115.07535	0.8
117.09104	15.4
121.10093	0.6
129.09097	0.9
130.08655	3.9
131.07027	5.0
133.08574	52.0
134.08904	0.6
141.16344	12.6
147.10135	1.0
151.09700	0.6
159.29265	0.5
161.11691	1.0
173.11723	1.0
175.09644	4.5
177.11182	24.7
181.19431	0.7
191.12691	0.9
199.20525	28.7
200.20813	0.7
219.12204	2.3
221.13773	4.3
237.13300	0.8
237.92976	0.6
239.14833	1.8
240.23134	3.5
257.24689	31.4
258.25043	1.3
265.16354	1.2
283.17462	2.7
309.18942	1.3
313.27121	1.1
326.16983	0.5
327.20071	1.7
335.25543	0.6
397.24243	0.8
415.25137	0.9
441.26938	0.7
444.92844	0.6
459.27747	2.2
485.29221	0.9
503.30463	11.5
504.30869	1.0
543.33295	1.6
561.34564	2.2
601.37573	1.0
797.74225	0.7
834.46637	0.9
834.61218	10.6
835.60785	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	829.5052
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	4.9
61.67784	0.6
67.05489	6.2
69.03414	3.3
69.07053	2.1
71.53541	1.0
73.02907	4.5
79.05485	4.0
81.03403	2.0
81.07039	7.5
83.08617	1.0
85.02887	6.2
87.04403	0.7
91.03941	3.0
91.05478	2.4
93.07035	5.3
95.04946	0.8
95.08601	5.7
97.02874	4.4
97.06538	0.8
99.04472	1.2
99.72046	0.6
101.02391	1.6
105.07072	1.5
107.08586	3.6
109.02897	1.2
109.10147	2.6
119.08584	1.8
121.10157	2.0
123.11711	1.0
127.03906	1.9
131.08560	0.9
133.10115	1.5
135.11649	1.1
144.77930	0.6
145.10146	1.0
159.11711	0.7
163.56747	0.6
173.13277	0.8
185.04211	1.1
203.33211	0.7
243.08432	2.4
301.34448	0.7
333.20331	4.3
335.26044	0.6
384.52774	0.6
390.16052	0.7
439.19391	0.7
453.21094	0.7
519.29218	8.3
520.29578	1.1
551.28375	3.3
591.30841	0.8
787.50873	0.7
829.50562	100.0
830.50781	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	832.6338
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04990	52.4
67.05473	1.7
69.07042	4.0
69.20443	1.0
71.08618	100.0
71.53476	1.1
71.53888	1.4
73.06525	1.3
79.05478	1.5
81.07043	3.6
83.08598	3.8
84.08107	1.2
85.10165	87.1
86.10484	1.3
87.04444	7.5
89.05482	1.9
89.06012	27.3
89.79982	1.1
93.47105	1.1
95.08590	2.2
97.10143	5.6
99.08067	1.5
99.11717	19.9
100.07586	1.7
101.09634	6.6
103.07590	1.3
105.07031	2.2
107.08588	1.2
109.10128	2.3
111.11704	2.4
113.13236	6.8
115.07551	1.7
117.09114	24.5
119.08594	1.5
130.08638	3.2
131.06993	1.9
133.08583	22.0
133.10098	1.5
145.10181	1.1
146.08081	2.5
155.17920	15.8
158.11755	2.2
159.13719	1.6
175.09554	1.4
175.13278	2.7
177.11191	11.3
191.10713	2.7
191.12868	1.2
213.22107	33.0
220.21629	0.9
221.13780	2.4
233.17325	1.2
254.15430	1.1
254.24750	5.9
271.26266	43.2
327.20157	1.1
329.30457	4.3
371.22726	11.9
398.73203	1.1
411.25952	1.1
429.26871	3.6
452.69214	1.1
487.31268	2.2
573.48511	2.4
637.79919	1.2
697.24359	1.3
832.50024	1.6
832.63904	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	829.505
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	6.2
62.35976	0.4
67.05499	5.6
69.03418	3.4
69.07055	1.8
69.22797	4.9
71.01342	0.7
71.04997	0.9
73.02909	4.7
79.05479	3.9
81.03404	1.8
81.07042	7.1
83.04958	0.6
83.08611	0.5
85.02885	6.2
87.04449	0.5
91.03935	4.3
91.05461	3.4
93.07017	3.7
95.04950	0.4
95.08580	4.4
96.12625	0.4
97.02885	5.7
98.20762	0.9
99.04458	1.2
101.02364	2.4
105.07004	2.5
107.08580	2.7
109.02888	0.6
109.06533	0.6
109.10132	1.5
115.03938	0.7
119.08584	2.0
121.10129	2.0
123.08077	0.6
123.11706	0.8
127.03925	1.6
131.08575	0.8
133.10146	1.2
135.11708	1.2
145.10121	1.2
147.11691	1.2
149.09538	0.6
149.13234	0.9
161.13309	0.8
184.07462	0.5
185.04219	1.1
203.05287	0.7
217.21185	0.5
243.08412	3.2
275.20053	0.5
295.61444	0.4
333.20264	5.8
335.25937	0.5
423.19806	0.8
425.21475	0.5
518.92487	0.5
519.29236	10.6
520.29407	0.5
551.28192	4.4
552.28699	0.6
591.31354	0.9
633.24652	0.5
739.43842	0.5
829.50519	100.0
830.50922	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	829.5048
Annotation	Unknow
Peak:m/z	Relative Intensity
58.24407	0.5
61.02912	5.8
67.05487	5.9
69.03411	3.3
69.07056	2.3
71.04958	0.9
71.08615	0.7
71.54231	1.0
73.02904	4.2
77.22517	0.5
79.05473	4.2
81.03413	1.8
81.07034	6.0
83.04968	0.7
83.08598	1.7
84.74023	0.5
85.02896	5.5
85.20653	0.5
87.04499	0.5
91.03942	4.0
91.05472	2.6
93.07027	4.6
95.04990	0.6
95.08602	3.6
97.02884	5.0
97.06538	0.6
97.10165	0.7
98.82977	0.5
101.02354	2.0
101.66583	0.5
105.07024	2.0
107.08591	2.0
109.02829	0.7
109.10133	1.6
115.03935	0.6
117.06979	0.7
119.08581	1.1
121.10124	2.2
127.03903	1.6
129.07011	0.6
131.08533	1.2
133.10132	1.4
135.11662	1.3
145.10118	0.7
147.11717	0.9
149.13225	0.7
159.11754	0.7
167.77219	0.6
185.04147	0.7
203.05165	0.7
243.08339	2.8
278.87048	0.6
301.08923	0.6
333.20453	2.2
335.25699	1.2
351.62207	0.5
380.26654	0.5
381.19666	0.5
519.29144	7.1
551.28070	2.8
829.50531	100.0
830.50720	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	829.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05467	0.7
68.04965	0.6
69.03405	0.6
69.07018	1.8
69.82974	2.6
70.06530	1.8
81.03338	0.7
84.08088	1.1
85.02837	1.7
86.09670	1.0
91.39230	0.4
94.06498	1.7
95.04932	0.8
98.21532	0.5
100.90271	0.5
105.06939	0.7
106.06490	1.7
108.08026	1.0
109.02876	0.6
110.05978	0.8
116.41006	0.4
120.08086	1.0
122.06003	5.7
134.05978	0.9
136.07553	7.0
137.05911	0.6
138.05421	0.9
140.07039	11.4
146.05940	3.2
146.09579	1.5
148.07530	4.1
150.09077	0.6
152.07014	1.3
158.05876	0.5
162.05458	0.8
162.09079	0.6
163.06276	0.5
164.07030	19.1
166.08614	18.0
167.06880	0.6
172.03888	3.1
174.05470	3.3
176.07043	5.6
190.04883	2.0
191.05695	0.6
192.06439	0.9
204.06522	4.6
206.08104	1.5
208.09645	1.2
209.10701	0.5
210.11414	1.4
211.12221	1.1
218.08032	1.3
222.11433	0.5
223.12238	1.3
224.12926	0.5
225.10081	0.7
227.11760	0.8
235.08626	0.6
235.12236	2.0
236.09132	0.6
236.13036	1.2
237.10164	5.6
237.13777	3.4
238.11011	2.5
239.11713	5.8
243.11360	0.9
246.07568	1.3
247.12349	0.9
248.09363	1.9
248.12941	0.6
249.10152	4.8
250.10971	4.1
251.11760	11.1
252.12430	1.6
253.09567	0.6
253.13231	2.5
261.12274	1.2
262.10999	0.6
263.11749	20.3
264.08780	1.3
264.12433	4.0
264.22800	0.5
265.09720	7.5
265.13281	34.2
266.10474	0.9
266.13895	2.8
267.11163	2.9
267.14053	0.5
268.12122	0.8
269.12769	1.7
271.14413	1.3
275.11731	0.5
276.08893	0.6
277.09708	5.8
277.12662	0.9
278.10397	2.5
279.11212	35.4
280.11969	2.6
281.12729	2.1
282.13535	1.5
283.10858	1.0
283.14346	1.9
285.12372	1.2
287.13803	3.6
291.11206	8.6
292.11942	2.6
293.12732	6.9
294.10260	0.8
294.13528	2.5
295.10742	8.8
295.14154	1.3
296.11368	2.2
297.12274	17.4
297.15683	1.0
298.13052	2.7
299.13852	1.2
305.15009	1.1
309.12274	53.7
310.13037	23.4
310.15820	0.4
311.13818	25.8
312.14572	5.3
313.11746	2.5
313.15427	2.4
315.13855	0.6
319.10669	9.4
320.11328	1.5
321.12350	2.2
323.16150	2.2
324.10886	1.0
325.11768	1.2
331.12830	1.0
331.16473	0.7
336.11053	0.5
337.11749	100.0
338.12512	41.9
339.13284	17.7
340.13989	1.4
341.14670	0.5
345.14365	0.9
355.12961	1.1
357.14545	1.0
369.14392	25.4
370.15121	8.2
371.16003	9.1
374.14804	0.8
384.13260	0.7
390.18118	0.8
399.15536	2.0
399.20319	0.6
400.16589	1.9
401.13229	3.2
416.16028	1.2
417.16797	1.5
418.17587	0.5
432.19037	0.6
433.16174	0.6
434.17178	1.6
440.16254	0.6
450.20285	1.5
452.21729	26.8
453.22049	1.0
458.16956	2.7
459.17816	2.3
460.18668	1.0
476.18234	2.1
478.19635	32.0
479.20029	1.5
494.18979	2.1
495.19916	0.5
496.20697	13.7
510.22269	90.9
511.22733	3.9
575.24762	1.9
591.28046	0.9
599.24878	5.8
607.27557	1.6
614.26794	1.9
617.26056	7.0
618.26019	0.7
622.23218	0.7
631.27875	2.6
635.26978	33.8
636.27423	1.9
640.24915	7.7
649.28540	1.5
667.29614	20.1
668.30334	1.1
672.27673	5.2
761.29510	1.0
779.31708	0.8
797.32391	2.1
829.34436	0.9
859.30212	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.5135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04996	2.8
61.02915	7.8
65.03910	0.6
67.05493	46.3
68.05822	0.5
69.03384	1.8
69.07055	4.3
71.04984	2.5
71.08621	14.3
71.54146	0.8
73.02893	3.3
79.05453	1.3
81.03377	0.9
81.07044	11.0
83.08157	0.6
83.08607	8.9
85.02895	11.1
85.06511	2.0
85.09660	0.6
85.10168	8.6
86.59103	0.5
89.06003	1.2
91.03944	6.5
91.05448	2.4
93.07013	2.4
95.08589	12.4
97.02871	5.7
97.06503	0.5
97.10126	2.4
99.04385	0.6
99.08089	0.5
103.07518	0.7
106.92057	0.5
107.08557	1.0
109.02845	0.5
109.10136	56.5
111.08046	2.2
111.11686	0.5
113.13264	0.5
115.03896	0.7
119.08553	4.0
123.11700	2.5
123.12473	0.5
127.03863	2.5
130.08656	1.1
137.09628	2.6
145.04919	3.8
155.10614	3.5
163.05997	4.7
165.16309	0.6
173.11710	16.8
180.08719	0.4
229.14310	100.0
230.14676	1.8
239.23628	1.5
257.24655	1.7
274.50177	0.4
276.85602	0.5
289.31720	0.5
313.27304	76.1
314.27643	1.8
339.15927	0.5
373.18427	0.6
388.85294	0.5
400.69144	0.5
419.74380	0.6
467.37259	64.4
468.37640	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	827.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
60.52176	0.4
66.11331	0.4
67.05491	1.0
68.05014	1.2
69.03406	1.7
69.07050	4.1
70.06571	2.3
79.05468	0.8
80.05025	1.1
81.03399	1.1
81.07045	0.5
84.04458	0.5
84.08129	1.1
85.02881	3.0
86.09688	0.7
87.04409	0.5
91.05471	0.6
93.07014	0.5
94.06549	5.2
95.04946	1.4
96.50553	0.4
97.02887	1.0
97.06532	0.6
98.21461	0.7
105.07013	0.6
106.06512	0.8
107.04998	0.6
108.04505	0.5
108.08089	2.1
109.02850	0.7
109.06557	0.6
110.06031	1.6
112.07573	1.2
116.04966	0.7
118.06544	1.1
120.08060	0.9
121.05234	0.8
122.06007	20.9
123.04431	1.2
124.07554	1.5
124.88583	0.4
127.03959	0.9
133.10075	0.7
134.05989	1.5
137.05937	1.9
138.63690	0.4
140.07034	37.4
141.07397	0.6
142.22279	0.4
144.04407	2.0
145.02737	0.4
146.05974	11.1
147.04382	0.8
147.06715	0.8
147.33482	0.4
148.07567	2.7
151.07469	0.5
152.07072	1.8
156.08008	0.4
159.04308	0.4
160.07567	0.8
162.05423	1.9
162.07585	0.9
163.06313	0.8
164.06946	0.6
166.08588	0.6
167.07043	0.9
168.06548	0.6
170.09663	0.5
172.03897	17.4
173.04691	1.8
174.05470	19.9
175.05959	0.4
176.07024	9.0
177.05426	0.7
178.08549	0.4
180.69278	0.5
186.09213	0.7
187.12234	0.7
188.07034	0.9
190.04926	5.1
191.05644	2.4
191.07185	0.6
192.06468	3.1
197.07239	0.5
198.07565	0.5
198.09079	2.2
199.08612	1.0
200.09329	0.9
202.08778	0.7
202.10797	0.5
204.06517	38.0
205.06966	1.7
206.08076	9.7
208.09816	0.6
209.08299	0.5
209.10713	0.6
211.08685	1.5
212.09224	0.7
213.10144	2.4
215.11790	3.4
223.08777	0.5
224.09435	1.1
225.10266	2.5
226.08582	1.3
226.10829	0.9
227.08269	0.7
227.11755	1.3
229.09735	0.8
237.10255	1.2
238.11041	1.2
239.11728	1.6
240.10269	0.5
241.09546	2.7
242.10118	0.6
243.11241	20.5
244.09555	0.5
244.11772	0.7
249.10257	1.0
250.10887	0.6
251.11797	1.0
253.09779	1.3
255.11322	2.6
256.11960	0.8
257.09317	1.3
257.12860	1.8
259.10703	3.9
261.12262	0.9
263.08118	0.7
264.09036	1.0
265.09644	1.8
266.10513	1.4
267.11261	2.3
268.09561	0.5
269.09244	1.8
269.12897	0.8
271.10730	1.8
272.11630	0.7
273.12225	0.9
274.13080	0.5
277.09723	0.9
279.11240	1.8
280.12030	0.5
281.09201	0.9
281.12814	0.6
283.10770	5.7
284.11377	1.8
285.12277	22.7
286.13071	0.5
287.10275	3.4
287.13885	2.2
289.12418	0.5
290.12808	0.6
295.10834	1.7
297.12280	1.4
298.13101	0.9
299.10245	3.0
299.13562	0.9
300.11221	1.0
301.11780	5.2
302.12561	1.2
302.16605	0.4
303.13321	39.4
304.13962	1.9
305.15048	0.6
309.12418	0.6
311.10254	1.2
313.11743	23.6
314.12546	1.2
314.16458	0.8
315.13647	0.5
316.10846	1.1
316.14404	1.4
317.11719	0.8
317.15079	1.0
318.15948	2.1
319.12955	1.9
319.16821	1.3
323.10315	1.4
324.10806	1.0
325.11932	0.9
326.12659	0.6
327.13449	1.2
328.14465	0.6
329.11603	0.8
330.12473	1.5
331.12872	10.4
331.16730	1.1
332.13736	1.8
332.17422	0.6
337.14096	0.6
340.14310	0.8
341.11890	0.7
342.16153	0.8
343.13513	0.9
344.13803	2.1
345.14377	22.9
346.15253	4.0
347.16351	3.0
348.17200	0.9
354.12439	0.7
356.13962	1.1
357.14896	0.9
358.11856	1.3
358.15732	2.0
359.12616	0.9
359.16602	0.6
360.16980	3.1
363.15460	2.6
368.13895	0.6
370.11908	1.2
370.15500	1.3
371.12759	1.5
372.13232	5.5
372.17020	0.6
373.14127	3.1
374.14850	4.4
374.18753	0.6
376.16537	0.7
378.18066	1.1
384.17386	0.7
385.14282	1.6
386.14929	7.5
387.15756	7.6
388.16571	5.6
390.18332	0.9
398.14880	1.0
400.12741	1.3
400.16995	0.9
401.13611	1.3
401.17847	0.8
402.13870	3.5
402.18753	1.0
404.15924	3.0
405.16888	1.9
406.17584	4.7
407.18277	1.5
408.19006	1.1
410.14871	0.7
412.16827	0.6
414.14307	7.4
415.15195	15.6
416.15961	26.5
417.16632	2.2
418.18332	1.9
419.18091	0.7
420.16626	1.5
428.16086	2.3
429.16757	2.2
430.17664	5.2
431.18091	1.4
432.15115	2.4
433.16245	6.6
434.17029	6.0
438.14130	0.9
440.15747	0.6
446.16934	6.6
447.17645	4.0
448.18430	0.9
456.15433	5.3
457.16171	3.1
458.16855	1.3
460.15005	1.8
465.18622	6.1
474.16470	18.6
475.17166	12.7
476.17871	3.7
489.18945	0.8
506.19263	2.1
507.19589	1.0
534.92096	0.5
571.25623	0.9
573.23688	2.1
597.23065	4.3
615.24341	100.0
616.24585	7.7
629.26062	1.4
631.23987	0.6
633.25385	1.2
636.21722	0.9
637.22223	0.7
647.26923	27.2
648.27496	2.0
741.27167	1.0
759.28314	1.3
777.29620	13.2
778.29083	1.4
809.32202	2.8
822.25494	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5496
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04981	0.6
61.02914	2.4
65.03918	2.4
66.04691	0.7
67.05492	59.2
68.05811	0.5
69.03415	1.8
69.07056	23.0
69.41008	2.3
69.41434	2.1
70.49244	0.4
71.04976	3.4
77.03912	1.2
79.05476	41.2
80.05830	0.6
81.03387	3.0
81.07039	98.1
82.07381	1.0
83.04958	4.2
83.08125	1.0
83.08601	13.7
85.02879	2.2
85.06532	3.2
91.05462	29.8
93.07024	43.5
94.07362	1.2
95.04950	8.7
95.08586	44.8
96.08929	0.7
97.02908	1.3
97.06507	7.3
97.10157	2.3
99.08091	2.1
102.54565	0.5
105.04506	0.9
105.06278	0.8
105.07010	26.8
107.04945	7.2
107.08573	28.3
109.06494	19.7
109.10136	17.0
109.10891	0.6
111.08051	4.0
115.05416	0.8
117.07001	8.4
119.08557	23.9
120.08937	0.8
121.06469	3.5
121.10117	21.7
123.08050	6.3
123.11674	8.5
125.09620	1.7
129.07001	2.9
130.08618	0.5
131.08542	12.3
133.06485	1.0
133.10106	16.8
134.10419	0.6
135.08023	3.7
135.11662	10.8
137.09596	3.4
137.13225	1.7
139.11194	1.4
141.06998	0.8
142.07719	0.8
143.08527	1.8
145.06403	0.6
145.10094	10.9
147.08002	1.3
147.11656	16.5
149.09598	5.2
149.13226	8.4
151.11153	2.2
155.08557	1.0
157.10123	2.8
159.08072	0.5
159.11661	7.6
161.09622	1.6
161.13226	5.0
163.11125	5.6
163.14804	3.1
165.12730	4.4
169.10092	1.3
171.11674	2.4
173.09602	1.0
173.13229	5.2
175.11168	1.9
175.14813	2.3
177.12759	2.1
179.14256	0.9
183.11656	1.4
185.13174	0.9
187.11212	1.2
187.14784	2.4
189.12756	1.1
191.14226	1.3
193.12201	1.7
193.15930	0.5
195.13829	0.9
197.13206	0.7
199.14893	0.7
201.16318	0.9
207.13795	1.0
215.17885	0.5
224.64789	0.5
229.14238	0.5
229.19481	2.1
239.18040	1.3
243.21048	1.9
247.20480	2.7
257.19052	2.9
259.20532	0.9
261.22110	6.6
267.15939	1.4
269.17471	0.9
273.18768	0.5
275.20016	41.3
276.20447	1.2
277.21521	0.9
291.19559	1.5
292.19748	0.9
293.21048	15.2
299.81943	0.6
317.24667	1.3
333.24103	0.7
335.25729	100.0
336.26108	4.6
337.26398	0.9
349.23651	26.7
350.23947	1.1
351.25284	0.6
353.26566	0.6
365.23279	0.6
366.23505	0.9
367.24719	41.9
368.24960	1.6
431.60898	0.5
503.37750	0.8
517.40430	0.9
529.38495	1.5
535.41449	2.5
553.42267	1.5
609.45013	48.8
610.45294	4.6
627.46021	54.8
628.46259	5.3
645.46442	0.8
655.81531	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.4047
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	1.0
61.20065	0.5
65.03934	0.6
67.05495	11.3
69.03409	4.3
69.07052	1.7
70.06578	0.9
70.26456	2.0
71.04984	1.0
73.02894	0.5
79.05476	9.8
80.04996	0.8
81.03409	11.6
81.07042	12.4
83.04952	1.3
83.08601	1.1
84.08128	1.6
85.02877	5.3
89.03882	1.0
91.05454	7.0
93.07032	11.8
95.04939	2.3
95.08587	8.5
97.02875	4.6
97.06519	1.0
98.21147	1.3
98.72659	0.6
99.04415	0.7
105.07003	6.9
107.04945	1.1
107.08558	4.8
108.04440	1.9
109.02847	2.6
109.10142	3.1
111.04466	1.5
115.05463	0.6
117.03339	3.3
117.06992	2.0
119.08573	4.0
120.08088	0.5
121.10102	5.3
123.04420	0.7
123.08084	0.6
123.11647	1.4
125.05901	0.8
127.03909	1.3
129.06982	0.9
131.04942	0.8
131.08545	4.4
133.06435	0.7
133.10107	3.0
135.07996	0.6
135.11691	3.3
137.05934	1.4
141.01814	0.6
143.08482	0.8
145.02824	15.1
145.10074	2.5
146.03600	1.1
147.08089	0.7
147.11673	1.6
149.05965	2.7
149.13255	1.5
151.03934	1.0
152.04659	3.7
153.05507	1.0
159.04353	1.9
159.11658	2.8
161.05968	2.0
161.13266	0.8
163.03888	2.0
163.07538	0.8
167.07008	100.0
168.07314	1.1
171.11636	1.1
173.13226	1.1
175.07530	1.0
177.05437	47.5
184.07249	0.9
185.13245	0.8
186.05449	1.2
187.03848	1.9
187.07426	0.9
189.05463	1.6
191.03325	2.7
191.06992	1.6
195.06555	1.5
201.05383	1.2
202.02563	2.5
203.06985	2.2
205.04912	0.8
209.08052	88.7
210.08351	0.7
215.03323	1.5
217.04918	42.3
219.06479	5.6
227.06978	0.7
229.04884	5.4
231.06416	1.5
233.04434	1.5
234.14854	0.9
235.06001	0.7
236.16385	0.8
243.06445	1.5
243.21091	0.8
245.04445	5.5
245.08127	0.7
247.06009	8.4
254.17450	1.4
259.20328	0.6
261.22021	3.1
263.05347	0.8
271.05991	0.9
275.05432	7.3
277.21600	1.0
289.06961	3.1
291.04889	0.8
293.06473	14.5
303.23392	0.7
305.06467	10.2
317.06454	3.4
335.07568	13.3
341.24713	0.6
353.08603	44.1
354.09079	1.0
367.10135	1.4
369.24091	2.5
371.09512	1.0
385.11215	5.6
387.25204	1.9
394.11145	2.1
405.26230	2.3
407.68121	0.7
423.27240	0.9
588.42181	1.6
635.44415	0.6
676.42627	0.7
738.71802	0.7
792.48792	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	824.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04980	0.2
65.03922	2.1
67.05494	1.1
69.03407	0.5
69.07037	0.5
70.06565	0.9
71.04961	0.5
71.07420	0.5
72.08144	0.2
75.04462	1.8
77.03902	0.5
78.04688	1.3
79.05477	2.6
81.03381	1.0
81.07064	1.0
82.04170	0.3
83.04958	0.2
83.08630	0.2
84.04491	0.3
84.08135	0.2
85.02885	3.1
85.06519	0.3
86.09679	0.3
89.03887	0.6
89.06023	1.1
91.05460	6.5
93.03388	6.3
93.07017	2.7
95.01304	0.2
95.04948	3.2
95.08589	0.5
97.02870	0.3
97.06507	1.4
101.05949	0.2
102.04674	0.2
103.05443	8.3
105.03374	0.7
105.04468	0.3
105.07009	3.4
106.04150	12.5
106.27580	0.2
107.04942	3.1
107.08552	0.5
108.05676	0.3
109.06503	0.7
109.10128	0.3
110.03625	0.7
111.04389	0.7
114.88519	0.2
115.05441	1.8
117.03330	0.5
117.06966	1.4
118.04134	1.7
119.04900	0.9
119.06036	0.2
119.08547	0.8
120.05678	0.2
121.06481	13.7
121.10136	0.3
122.03621	0.4
122.07266	0.3
123.04405	2.5
123.08022	0.7
124.05163	0.8
124.07556	0.3
125.05962	5.5
127.03939	0.3
128.06152	0.3
129.06993	0.6
130.04109	0.5
131.04906	7.4
131.05888	0.3
131.08522	0.6
132.05682	0.4
133.02806	0.5
133.06467	3.6
133.08553	0.4
134.03598	1.9
135.04375	0.9
135.08011	0.9
137.02315	0.3
137.05936	3.1
138.03099	0.4
138.06709	0.7
139.07553	1.3
140.07051	0.2
142.02586	0.6
143.04884	0.3
144.05661	0.4
145.02870	1.0
145.06456	2.7
146.03572	0.4
147.04343	0.7
147.08003	1.1
148.05147	4.3
148.56163	0.2
149.05949	22.2
151.03911	1.4
151.04897	0.3
151.07530	1.6
151.11151	0.2
152.04651	0.7
152.08231	0.4
153.05437	1.9
153.09065	6.8
155.05968	0.3
155.14310	0.2
156.05569	0.3
157.06456	0.4
159.04353	0.6
159.07991	0.8
160.05148	0.4
161.05946	4.1
161.09570	0.3
162.06538	0.3
162.07680	0.4
163.03851	1.0
163.07501	7.9
165.05414	0.6
165.09056	0.2
166.06264	0.7
167.07001	22.1
168.07318	0.3
169.06445	0.3
171.06543	1.3
173.05962	2.7
174.06711	0.3
175.03848	0.3
175.07521	1.6
176.04645	1.2
177.05432	15.2
177.08994	0.4
178.06084	0.4
179.06995	0.7
179.08504	0.2
181.04921	26.0
181.08527	12.8
181.10204	0.4
182.05231	0.3
183.06516	0.3
187.07423	1.1
187.11049	0.3
189.05266	0.4
189.09021	0.3
190.06241	0.4
191.06984	31.5
192.07539	0.9
193.04956	0.5
193.08623	1.4
195.06413	1.4
195.07948	0.2
201.05304	0.5
203.06975	1.2
204.06528	0.3
205.06752	0.4
205.08537	1.5
206.04387	0.5
207.06451	0.9
207.08224	0.4
207.10138	0.7
209.08041	100.0
210.08351	1.3
217.08521	0.8
219.08102	0.5
219.10127	1.8
221.06017	0.4
221.07980	0.4
225.07468	0.6
233.08012	2.1
235.07422	0.7
235.09621	2.0
236.08061	0.4
237.09114	0.3
241.08391	0.3
245.08006	0.7
252.07732	0.5
253.08656	0.4
257.07968	0.2
263.09094	9.0
265.08444	0.3
267.10071	1.3
268.10779	0.2
269.07993	0.2
271.09753	0.3
274.26135	0.2
279.10797	0.3
281.08246	0.3
287.13678	0.2
289.10666	0.3
293.08255	0.2
295.09494	0.5
297.11301	0.9
307.09567	0.8
309.10971	0.2
313.10709	0.5
323.09088	0.3
325.10538	1.0
327.12119	0.4
329.13953	0.4
339.12619	0.6
355.11725	0.7
357.13181	2.1
359.14999	0.4
359.75882	0.2
367.11816	0.7
369.13452	0.4
371.14935	0.3
381.13538	0.3
385.12744	3.9
387.14236	0.5
389.15759	0.2
399.14423	1.4
400.15869	0.4
417.15347	11.5
418.15408	0.4
426.36264	0.2
609.23004	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	8.5
57.07055	3.7
57.30193	2.2
58.52588	2.0
61.02919	3.3
65.03935	5.7
67.05492	83.9
69.03416	5.0
69.07059	27.0
70.99818	4.7
71.04967	5.1
79.05475	60.4
80.12925	2.5
81.03394	8.1
81.07039	80.8
83.04970	16.9
83.08590	9.9
84.08121	2.6
85.02883	2.7
85.06536	6.1
85.56327	2.4
91.05467	58.0
93.07022	63.8
95.04954	12.5
95.08585	44.0
97.06506	5.7
97.10119	3.4
105.04481	2.6
105.07014	50.4
107.04942	7.5
107.08574	53.6
109.06498	9.5
109.10139	61.6
117.06984	11.6
119.08559	16.9
121.06465	7.6
121.10146	22.2
123.08050	4.5
123.11669	12.7
127.07539	2.2
129.06949	4.0
130.08607	6.8
131.08548	16.6
133.06422	4.0
133.10106	72.9
135.08067	5.7
135.11620	13.0
143.08537	5.1
145.09029	2.4
145.10083	13.0
147.08037	4.2
147.11670	6.7
149.09608	5.0
149.13242	7.3
151.11140	27.5
159.11646	8.9
161.09595	7.8
161.13275	3.3
169.12225	5.0
173.13277	5.2
175.11258	2.5
175.14700	2.5
184.12198	2.2
207.95552	2.4
215.12750	3.6
245.18965	3.0
253.14308	100.0
261.22168	12.8
273.18481	20.1
291.19446	22.0
327.21381	2.5
335.25732	86.6
336.26126	3.6
347.22095	9.6
365.23166	36.8
482.08865	2.4
513.35712	5.9
529.34924	4.1
531.36688	35.4
532.36658	2.5
607.42914	6.0
625.44464	83.4
626.44788	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	8.5
57.07039	1.4
61.02874	1.0
65.03891	2.7
67.05492	54.8
67.05827	2.0
69.03422	9.5
69.07056	34.1
69.71975	2.1
69.72413	2.0
70.06555	0.8
71.04947	2.3
71.08591	0.6
79.05478	40.1
79.97839	0.5
80.05834	0.6
81.03406	4.7
81.07040	47.9
83.04976	4.0
83.08611	11.6
85.02879	1.7
85.06491	1.9
91.05463	25.8
93.07027	42.3
95.01280	0.8
95.04949	10.0
95.08589	35.6
97.02297	0.7
97.02871	9.8
97.06530	3.3
97.09567	0.7
97.10148	11.3
99.08065	0.8
103.05418	1.4
105.04504	0.9
105.07016	18.4
107.04936	5.8
107.08572	22.9
109.02828	1.1
109.06480	3.7
109.10143	15.6
111.04388	0.8
111.08029	2.3
115.05412	1.0
116.07018	0.6
117.07008	6.9
119.04881	1.6
119.08566	16.0
121.06488	2.9
121.10119	15.8
123.04379	1.1
123.08054	4.6
123.11666	3.1
125.09601	9.6
128.06146	0.9
129.06992	4.0
130.07709	1.7
130.08585	1.5
131.07593	1.0
131.08534	11.9
133.06448	2.9
133.10107	8.4
135.08006	4.1
135.11673	8.6
137.09552	2.4
141.06905	0.7
143.08539	3.3
145.10106	8.4
147.08014	5.3
147.11652	5.9
149.09596	2.2
149.13239	4.4
151.11107	1.1
153.09088	0.8
153.20108	0.6
155.08554	0.9
157.10083	2.4
159.07878	0.8
159.11665	6.2
161.09525	2.5
161.13225	2.2
163.11108	2.2
163.14764	1.5
165.09048	1.4
167.08479	0.6
171.11646	2.0
173.11757	0.8
173.13185	3.1
175.11133	1.3
175.14772	1.3
177.12639	1.4
185.13217	1.1
187.14731	1.8
189.11198	3.9
189.12622	1.0
193.12239	1.2
195.13663	0.7
205.12155	2.1
223.13242	18.0
227.12799	3.6
243.21033	2.0
245.18958	1.1
249.14720	3.3
255.17352	0.9
258.34995	0.6
261.14890	0.8
261.22055	9.0
263.19989	1.0
267.15771	1.0
273.18451	12.4
276.31921	0.6
291.19482	92.3
292.19806	2.7
309.20313	0.8
317.24603	2.7
320.99213	0.8
333.24387	0.7
335.25735	90.9
336.26108	2.0
347.22021	2.6
365.23163	50.1
366.23541	0.9
436.07324	0.7
447.94275	0.7
505.34695	0.9
527.37024	0.8
545.38391	4.9
557.37952	1.0
607.43219	3.0
625.44489	100.0
626.44696	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	820.5971
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07064	65.9
59.04989	11.8
69.03439	0.5
69.07050	1.0
71.05011	0.4
71.08617	45.1
72.08965	0.6
73.02914	1.5
73.06538	4.6
79.05467	0.5
81.07029	0.7
83.08621	1.3
85.06540	0.5
85.10166	35.1
86.10501	0.5
87.04452	20.9
89.06012	100.0
90.06352	1.1
91.07575	1.0
95.04955	0.4
95.08608	0.5
97.10151	1.0
98.20786	0.9
98.21464	1.4
99.11721	6.7
103.07564	6.8
107.07050	3.3
113.06007	1.0
113.13276	1.6
117.09106	5.9
121.08612	0.7
124.56093	0.4
130.08604	4.9
131.07014	7.4
131.10619	0.5
133.08577	78.1
134.08934	0.9
135.10159	0.5
151.09560	0.4
155.17906	5.2
157.08582	0.7
159.10196	0.5
161.11664	1.9
167.07018	1.7
175.09615	6.6
177.11189	35.5
178.11465	0.6
179.12697	0.5
184.07297	0.6
193.10689	1.0
200.54930	0.5
213.22081	5.6
219.12239	2.8
221.11801	0.7
221.13795	7.9
223.15375	0.9
237.13191	0.7
239.14839	2.0
257.24710	4.9
263.14627	0.5
265.16391	1.5
267.17920	0.9
283.17456	3.5
309.18964	2.2
327.20004	1.8
334.42935	0.4
353.21536	1.6
371.22559	1.2
397.23984	1.0
397.91336	0.5
415.25018	1.0
441.26886	0.8
459.27222	0.5
469.91202	0.4
485.29218	0.7
503.30573	0.9
529.31738	0.6
547.32788	1.6
573.34540	1.2
591.35748	8.5
631.38544	1.9
803.55798	1.7
807.30438	0.5
820.60162	7.4
821.59540	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.5909
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99422	4.4
59.46264	3.9
67.05489	28.1
69.07065	9.7
69.88133	6.5
69.88540	17.6
70.77578	4.1
76.69174	4.8
79.05471	13.8
79.69692	4.4
81.07050	32.9
84.08131	4.1
91.05468	11.2
93.07021	21.2
95.08570	18.8
98.21446	4.7
105.07008	11.3
107.08572	9.4
109.10134	9.9
121.10126	6.8
131.08540	8.8
133.10159	6.5
135.11650	8.8
144.37234	4.3
149.13216	9.6
161.13278	5.4
173.13139	7.1
227.34375	5.4
243.21216	5.1
255.81076	4.9
261.22122	14.9
333.24289	4.9
335.25742	100.0
336.26129	10.0
532.51575	4.7
595.46747	15.8
613.48334	7.4
820.57758	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	820.5974
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.6
57.07065	100.0
58.07391	1.3
59.04990	27.4
64.07973	0.5
67.05477	0.5
68.12221	0.4
69.07063	2.6
69.75924	3.2
70.06576	1.1
71.08618	95.6
72.08961	1.4
73.02902	1.4
73.06541	3.7
81.07050	0.9
83.08604	3.1
85.10168	89.9
86.10506	1.2
87.04455	18.6
87.08101	0.5
89.06015	92.7
90.06370	0.7
95.04943	0.6
95.08600	0.5
97.09061	0.6
97.10164	1.0
98.20775	1.1
99.11718	9.0
101.05982	0.6
101.09628	2.0
103.07578	1.6
107.07043	4.1
111.11687	0.9
113.05986	0.9
115.07604	0.8
116.07088	0.7
117.09109	8.0
125.13234	0.6
130.08635	3.4
131.07019	7.4
133.08580	75.9
134.08911	0.9
135.10147	1.1
141.15236	0.6
141.16351	10.2
142.41820	0.5
147.10136	0.9
159.44543	0.6
161.11659	1.4
173.11644	0.6
175.09666	6.9
177.11192	33.7
181.19431	1.0
185.41367	0.5
191.12717	0.6
199.20543	24.2
200.20949	0.6
214.20464	0.6
219.12209	2.5
221.13802	8.5
225.50298	0.5
229.97720	0.5
237.13272	0.6
239.14790	1.7
240.23090	1.7
257.24704	12.2
265.16422	1.9
267.17905	0.6
283.17496	3.2
307.16931	0.6
309.18948	2.1
327.19937	1.6
353.21487	1.5
371.22644	1.0
397.24213	1.1
441.26700	1.2
459.27866	1.2
503.30154	1.7
529.32312	0.6
547.33209	12.3
576.63257	0.6
587.36426	2.9
605.37213	0.8
803.55853	1.4
820.59930	9.4
821.59546	0.8
833.03284	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.4886
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	5.0
57.07065	20.2
59.04712	0.9
59.04992	13.0
61.02901	3.6
64.89552	0.8
67.05498	9.1
68.99788	1.0
69.03411	13.1
69.07058	50.7
70.06578	1.9
71.04983	6.5
71.08616	6.0
71.51973	1.5
73.02901	2.5
73.06551	1.6
75.04455	1.6
79.05465	4.1
81.03403	10.8
81.07044	18.1
83.04967	7.1
83.08604	100.0
84.04470	4.0
84.08112	3.1
84.08940	1.6
85.02888	22.0
85.06538	1.7
86.09736	0.8
87.00816	6.8
87.04453	10.3
89.06013	82.9
91.03928	1.0
91.05453	7.1
93.07030	11.9
95.04951	4.9
95.08595	13.9
96.04523	0.9
97.02866	11.4
97.06516	1.6
97.10149	53.4
99.04425	4.8
99.08071	2.0
103.03928	2.3
103.05494	1.0
103.07574	2.4
105.01839	5.5
105.07008	5.2
107.07034	3.7
107.08569	4.7
109.02858	10.9
109.06491	1.3
109.10145	6.4
111.04420	8.2
111.11695	6.9
113.09628	0.9
117.01842	1.1
117.06976	2.2
117.09106	3.5
119.08567	8.9
121.06464	1.7
121.10139	5.1
123.04503	0.9
123.11681	3.6
125.13280	1.5
126.05503	2.5
127.03896	12.6
129.01781	1.1
129.05493	2.1
129.06958	2.3
130.08604	3.6
131.07019	3.8
131.08557	2.9
133.08577	56.9
133.10147	2.3
135.07950	1.4
135.11679	1.3
137.05960	1.3
137.13158	4.3
138.05511	1.1
139.14755	6.4
143.08557	2.7
144.06525	1.0
145.04910	3.1
145.06090	0.8
145.10095	2.0
146.08104	1.0
147.08009	2.5
147.10075	1.6
147.11670	1.7
149.09595	3.4
151.09792	1.3
151.11115	1.0
155.08543	1.9
155.14264	1.3
157.10101	1.7
157.15858	3.1
159.02858	4.0
159.11620	1.1
161.09706	1.2
162.07610	5.4
165.09042	4.2
167.07019	1.2
171.11696	1.2
171.17422	1.5
175.09627	2.5
175.13324	1.0
175.14848	0.9
177.11191	33.0
179.17957	2.2
185.08046	0.9
185.13176	0.9
191.12759	1.2
195.12245	0.9
197.18947	4.3
204.08618	3.0
211.20546	1.0
213.03883	1.1
215.20018	9.4
219.12173	1.9
221.13754	7.1
231.04921	1.8
235.15123	1.3
237.16899	1.2
239.14847	4.3
239.17865	0.8
255.23213	7.1
259.13141	1.1
260.44803	0.9
265.16452	3.8
273.24161	2.2
277.14264	1.3
283.17456	25.2
283.20392	1.8
289.09076	2.1
295.15308	2.9
297.18921	1.2
309.19113	2.5
323.20569	4.6
327.20050	23.8
341.21606	15.9
351.22888	1.0
367.23212	7.3
369.23929	1.7
381.24661	3.5
385.24265	3.4
399.25879	2.1
443.27808	11.0
458.42557	1.0
459.23264	1.4
461.28839	9.6
462.29236	2.0
537.39880	42.7
538.40253	2.9
555.41003	13.4
820.47888	1.3
820.63074	1.1
829.19763	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4265
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75762	0.3
60.07029	0.3
67.05501	2.9
67.82829	0.3
68.05013	4.2
69.03410	0.8
69.05798	5.8
69.07049	2.6
69.47686	1.9
69.48093	0.5
70.06583	5.0
71.38945	0.3
76.17781	0.3
79.05473	0.6
80.04990	0.7
80.92590	0.3
81.07066	0.7
82.06568	1.1
83.04953	0.3
84.04475	0.3
84.08128	34.7
85.02875	0.6
85.08456	0.4
86.09689	17.7
91.05444	1.8
93.07022	1.2
94.06567	0.6
95.04948	0.5
95.07339	0.4
95.08589	0.8
96.04474	0.9
96.08091	1.6
97.02823	0.4
97.07635	0.6
98.09647	0.6
103.05473	0.3
105.07017	0.9
106.06561	0.4
107.04913	0.7
107.08584	0.8
109.10143	0.6
112.07590	1.2
113.07043	0.4
115.05400	0.5
117.07001	0.4
119.04937	1.7
119.08597	0.7
120.08063	0.7
121.06487	0.8
121.10104	0.6
122.09637	8.2
123.04406	0.8
124.03922	2.4
124.11240	0.8
125.07090	0.7
127.03873	0.3
128.10670	2.2
129.06996	0.6
130.08609	0.9
131.04916	0.5
131.07295	0.7
132.08067	2.5
133.06508	0.5
134.05986	7.4
134.09618	1.1
135.06773	1.1
135.10384	0.9
136.07545	7.4
136.11188	6.3
141.06920	0.5
145.06500	1.1
146.05989	1.4
147.04375	0.8
148.07559	0.4
150.09044	0.4
151.04903	0.4
152.14296	4.0
153.13840	1.7
157.06532	0.8
159.08046	1.9
160.07599	1.0
161.05904	0.5
161.09554	0.6
162.07619	1.5
162.09079	0.7
165.05464	2.0
165.09019	0.4
171.08037	0.7
173.09578	0.5
174.09116	24.5
175.09499	0.4
179.11787	1.0
181.13316	0.6
182.08127	1.3
184.07596	1.4
185.05922	0.5
185.09615	1.4
186.09094	4.6
187.09845	0.5
188.10686	0.5
189.09067	3.0
196.03928	0.3
196.07536	0.4
197.16513	0.7
198.09053	0.7
200.10739	0.7
202.08647	0.5
202.12224	4.3
203.06999	0.3
203.11757	11.9
204.12076	0.3
204.13896	0.6
207.11298	0.4
209.12827	5.6
213.10332	0.6
214.08574	0.5
217.13416	0.7
219.14899	3.7
223.11185	0.8
229.13435	0.4
231.09933	2.0
232.09802	0.4
238.12247	0.4
240.13866	1.6
242.15332	0.9
247.14407	1.6
248.12700	5.5
251.13864	3.8
252.14011	0.3
259.10727	1.7
265.15421	15.4
268.16229	0.3
269.16605	1.2
271.18042	3.2
272.16504	1.0
275.13965	1.2
287.21259	0.4
293.14978	1.2
297.16132	0.8
303.13519	0.7
313.15649	0.4
314.18567	2.2
315.17169	0.4
316.20203	2.6
317.18478	3.9
321.14282	2.0
332.23361	1.0
333.21655	2.2
337.19168	0.6
342.18167	0.9
344.19562	0.7
354.18005	0.5
359.16098	1.1
360.19089	5.7
360.22879	0.5
361.21072	0.6
372.19193	0.5
378.23822	1.2
381.17883	0.5
388.22617	0.4
389.21112	0.4
404.23123	0.4
406.23828	0.9
411.19061	0.8
421.21268	1.6
427.27563	0.5
432.22742	1.6
433.21475	0.3
434.23889	2.0
449.20294	1.8
449.26184	1.7
450.23907	3.0
460.22299	1.3
462.24017	0.3
477.24820	1.3
478.23273	11.9
488.21890	0.4
494.22342	0.4
495.25894	13.9
496.26047	0.7
505.24435	1.1
506.22769	2.4
507.25681	0.5
522.22443	0.8
523.25391	12.5
524.26160	0.7
529.81042	0.4
533.23730	0.6
545.30988	0.6
551.24921	12.6
552.24780	0.5
569.30054	0.4
573.30786	0.4
579.24194	0.8
591.31805	0.9
601.30133	2.6
608.34070	0.9
618.32916	2.5
619.31378	2.0
635.30292	1.8
636.33783	21.2
637.34497	1.1
646.32367	3.1
664.33264	100.0
665.33630	6.3
678.34735	0.4
750.62915	0.4
791.42889	0.8
819.42572	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03383	1.1
57.34188	0.6
57.98378	0.6
67.05440	1.9
69.03364	3.2
69.03705	0.9
69.07018	1.5
70.06549	1.4
71.04928	1.0
71.52126	1.1
71.76680	0.6
72.01946	0.6
79.05449	1.5
79.26888	0.6
81.03347	2.1
81.06981	2.8
83.04919	1.5
83.08537	2.0
84.08073	1.0
85.02898	4.2
86.09676	0.9
91.05404	2.0
91.27027	0.7
93.06957	2.2
94.06524	0.8
95.08546	2.6
97.02891	3.5
105.06967	2.0
107.08521	1.1
109.02787	1.0
109.10117	0.9
111.04344	0.6
117.06925	0.6
119.08506	2.5
121.10040	2.2
123.08090	0.7
126.05480	0.7
127.03841	1.5
130.16042	0.8
131.04895	1.0
131.08499	1.1
133.10049	0.8
136.07571	0.8
138.05450	1.2
145.10085	1.4
146.05928	1.1
147.07962	1.2
147.11600	0.9
147.71542	0.7
149.09570	1.0
159.11658	0.8
160.07491	1.9
162.05490	1.0
162.07629	5.3
165.09033	1.0
167.07024	0.8
172.06256	1.1
172.81317	0.6
173.13138	0.8
178.04854	1.2
180.06516	7.6
183.09123	1.4
184.07574	0.8
185.07010	0.8
186.05330	0.6
187.08675	3.5
188.03313	2.4
188.06931	1.0
189.10167	6.2
197.10670	1.8
199.08650	1.0
202.07295	1.4
206.04390	2.1
210.07909	0.8
211.08569	1.1
212.09145	0.9
213.06544	1.2
213.10136	1.5
214.08730	1.6
214.12268	0.8
215.08171	4.3
223.08575	2.4
224.09258	1.0
225.10133	1.9
227.08145	1.0
227.11815	0.9
228.08813	4.3
229.09613	2.1
229.13300	1.1
232.06229	0.7
233.09178	12.5
237.06592	1.1
237.10153	2.9
238.07207	0.8
238.10876	0.8
239.08075	1.5
239.11783	1.6
241.05977	1.8
241.09628	2.5
241.13208	1.0
242.10356	1.3
243.11240	7.9
251.08076	5.2
252.08800	1.1
253.05986	3.0
253.09671	4.5
254.06572	1.0
256.08353	1.0
257.09161	13.8
257.12704	1.7
259.14359	7.2
264.08871	2.1
264.78644	0.8
265.09726	6.2
266.06824	1.3
266.10434	4.0
267.07660	5.2
267.11157	4.2
269.05569	1.5
269.09152	4.5
277.09821	0.8
279.07559	5.9
280.08347	2.5
281.05777	1.0
281.09094	2.3
283.10672	1.4
284.11432	4.5
285.12280	30.3
287.10205	7.1
291.07471	0.9
293.09085	8.2
294.06345	3.6
294.09833	21.7
295.10641	8.9
297.08658	3.4
299.10181	4.8
307.07062	17.6
307.10544	1.3
311.10089	1.6
313.12009	1.1
321.08560	4.5
323.10129	4.9
323.58792	0.7
324.07303	1.9
325.08154	1.0
326.08911	1.4
339.09689	100.0
340.09833	2.0
341.11139	2.3
349.08163	7.3
367.09183	17.7
385.10254	23.4
399.11899	4.4
421.19727	5.0
438.20377	1.1
447.17548	11.3
459.27142	0.9
460.27521	1.3
489.63541	0.7
584.21588	0.7
600.25702	1.5
625.22839	15.8
625.32874	0.6
626.23468	1.0
636.95868	0.8
657.25360	10.2
787.28027	41.1
788.28809	1.2
819.30591	37.1
820.31470	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	818.6179
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	2.3
57.07065	100.0
58.07394	0.7
58.86504	0.6
59.04990	37.3
59.96979	0.6
69.07047	1.7
69.43983	1.4
69.44391	4.1
71.08620	74.4
72.08961	0.7
73.06535	0.7
81.07025	0.7
83.08585	2.0
84.57244	0.6
85.10168	64.4
87.04449	5.8
89.06013	27.0
93.07019	0.8
97.10149	2.8
99.11128	0.9
99.11718	11.6
101.06001	0.8
101.09636	5.1
107.07065	0.9
111.11710	0.9
113.13261	5.6
115.07548	0.7
117.09116	14.8
130.08618	2.4
131.06998	1.9
133.08580	27.6
135.10152	1.0
147.10110	0.6
155.17914	11.4
158.11781	0.7
175.09579	1.5
175.13275	0.7
177.11201	11.9
184.07358	0.6
213.22098	21.0
221.13760	2.8
222.85529	0.6
239.14868	1.1
254.24681	2.5
271.26276	28.4
272.13306	0.7
272.26569	1.0
283.17404	1.1
287.25845	0.7
327.19922	0.8
329.30362	2.9
329.90924	0.6
371.22745	1.1
415.25351	9.0
455.28317	0.8
473.29257	2.8
484.97083	0.6
624.21143	0.7
818.62280	5.2
825.36151	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.6174
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03405	2.8
57.07064	89.5
59.04989	50.3
69.07043	2.5
69.21967	15.1
71.08617	100.0
72.71326	1.3
81.07040	1.2
83.08599	2.7
85.10164	84.9
87.04430	4.3
89.06014	26.5
97.10130	2.5
98.20651	2.2
99.11707	12.5
101.09624	5.3
103.07559	2.4
107.07043	1.9
111.78178	1.3
117.09109	19.2
120.34069	1.3
130.08580	2.5
131.07066	1.9
133.08586	19.6
141.16347	13.6
172.45378	1.3
175.13371	1.9
177.11198	9.4
199.20522	31.1
213.22047	2.3
214.17868	1.6
240.23158	3.2
257.24698	37.7
271.26193	2.1
315.28806	4.5
318.42508	1.6
327.19922	1.9
371.22638	8.5
429.27005	2.7
818.61896	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	815.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
62.23999	1.1
67.05489	3.2
69.03430	1.5
69.07053	8.0
69.21571	8.1
69.21996	4.2
70.06569	4.3
80.04998	1.3
81.03400	1.1
82.15548	0.9
84.04485	1.5
84.08118	1.2
85.02887	4.7
85.03356	1.3
86.09682	2.7
91.05472	1.4
93.05825	1.4
94.06543	13.7
95.04934	3.1
96.04465	1.2
97.06501	1.5
97.89193	0.9
105.06992	1.2
106.06557	2.1
107.04916	1.4
107.07332	1.1
108.08088	4.8
110.06030	1.2
112.07582	3.0
114.84720	1.2
116.04971	1.5
118.06518	2.0
120.08097	4.7
121.05209	1.6
122.05997	53.4
123.04412	3.5
124.07601	3.3
134.05986	14.0
136.07561	6.5
137.05936	2.2
138.05482	2.4
140.07031	100.0
141.07399	1.5
144.04417	4.5
146.05971	24.6
147.04453	1.5
147.06767	5.3
148.07536	31.4
150.05463	1.6
150.09081	2.7
150.73294	1.1
162.05513	4.9
162.09111	1.3
164.07050	7.7
166.08640	7.3
172.03906	34.8
173.04623	5.1
174.05470	43.6
175.06009	1.3
176.07030	74.1
177.07629	1.7
178.08594	3.6
180.06522	1.8
188.07066	3.3
190.04958	14.5
190.08565	2.6
191.05742	7.3
192.06564	8.9
193.07309	4.8
194.08099	15.7
194.09708	1.9
196.09561	1.3
197.10704	1.4
202.08644	1.4
204.06511	72.5
205.06903	1.4
206.08084	17.6
208.06007	1.7
208.09657	15.3
210.07549	1.5
213.10172	1.3
215.11714	2.1
218.08160	3.9
220.05751	1.3
222.07585	8.3
224.09219	2.6
225.10182	6.0
227.11749	1.8
230.07994	2.6
232.09671	2.7
234.07605	2.6
234.11418	1.4
235.08589	1.3
236.09097	5.8
237.10164	4.8
238.10922	4.4
239.11737	6.2
242.08232	1.2
243.11258	6.1
244.09567	2.1
246.07539	2.7
249.10173	5.1
250.07129	1.2
250.10864	6.2
251.08153	2.4
251.11705	10.7
252.08951	2.0
252.12410	2.5
253.09494	1.4
253.13342	2.5
254.10179	4.7
255.11165	1.9
257.12708	1.9
258.07574	1.3
260.09348	1.7
261.09998	2.6
261.12387	2.2
262.06900	1.3
262.10934	2.7
263.08200	1.7
263.11722	9.9
264.08838	2.8
264.12494	2.4
265.09650	13.7
265.13065	6.6
266.10431	10.3
266.13132	1.4
266.14331	1.4
267.11188	15.7
268.11816	1.7
269.12888	2.0
271.14456	1.9
272.05548	1.6
275.11801	2.5
276.08902	1.6
276.12448	1.8
277.09677	6.5
277.12793	1.8
278.10248	16.2
279.11166	39.0
280.08508	2.3
280.11966	10.3
281.09476	2.3
281.12808	8.1
282.09833	2.2
282.13449	1.5
283.10800	3.7
284.11475	2.8
285.12296	10.1
287.13858	25.9
289.09595	2.0
290.10339	2.5
291.11176	9.0
292.12051	1.9
293.09177	3.9
293.12814	9.3
294.09848	5.1
294.13254	1.4
295.10651	11.3
295.14005	1.9
296.11258	30.3
297.12231	25.8
298.09586	1.6
298.12982	7.9
299.13919	3.2
300.12247	1.4
301.11880	1.3
302.10220	1.9
303.13834	8.4
305.09079	4.8
305.12659	3.0
306.09909	5.7
307.10712	13.1
307.14194	1.6
308.11420	6.5
309.08759	1.5
309.12265	23.8
310.12943	3.8
311.10483	1.7
311.13818	4.8
312.10828	2.8
313.11795	33.8
313.15204	1.7
314.12286	13.5
315.13614	7.4
317.12814	2.0
318.09912	2.0
319.10687	21.6
320.11401	1.6
321.12195	17.8
322.13071	11.5
323.10260	6.6
323.13895	4.2
324.11041	9.5
324.14468	1.8
325.11813	9.2
326.12592	1.6
327.13327	3.5
331.13016	10.6
333.12180	4.3
335.10223	3.5
335.13821	2.5
336.10947	3.4
337.11755	29.2
338.12375	9.6
339.13251	24.0
340.14047	5.5
341.14862	3.5
345.14645	17.3
347.10043	2.6
347.16315	8.3
349.11502	5.7
350.12421	1.9
351.13324	4.6
353.11026	1.6
355.12747	3.2
356.13602	2.0
357.14227	3.6
359.09933	1.6
361.11755	4.5
363.13351	1.7
365.11252	7.3
366.11957	4.8
367.12897	10.2
368.13580	2.6
369.14404	10.1
370.15259	2.5
371.16000	5.3
372.13364	3.6
373.14029	3.2
374.14981	2.3
375.13678	2.2
377.11078	3.4
378.12210	1.9
379.12866	8.6
380.13354	1.6
381.14633	3.0
383.12152	7.7
385.13745	1.9
387.15503	1.7
388.16528	2.7
389.10962	2.2
390.11987	1.9
391.12622	7.1
392.13522	1.8
393.14438	3.1
395.12155	5.2
397.13977	6.9
398.14700	2.4
399.15515	3.2
400.16342	4.6
401.12933	1.6
403.12878	4.4
405.14218	4.1
407.11896	6.6
408.13022	4.7
409.13910	8.3
411.15134	2.5
415.13635	1.1
416.15958	16.1
417.16302	2.7
419.12357	5.5
420.12982	1.7
421.14020	3.8
423.15549	3.9
425.13184	4.8
426.14105	2.4
427.15021	6.1
428.15546	1.4
431.12250	2.2
432.13654	1.4
432.19113	1.5
433.13937	6.7
434.14529	1.9
440.15900	1.9
441.16534	3.5
447.17349	1.3
449.13388	5.0
450.14154	2.3
451.14874	10.2
451.20782	1.6
452.15530	1.8
458.16922	3.0
459.17456	4.3
460.18253	2.1
464.18253	1.9
467.14359	11.5
468.15259	13.0
469.15906	12.6
470.16766	11.8
471.19211	1.7
473.14563	1.4
476.18051	11.3
478.19547	4.4
480.21335	4.6
483.17831	1.4
485.15222	10.7
486.16071	1.9
487.17026	17.8
488.17612	3.1
498.22235	1.2
500.17468	2.6
501.18509	2.2
502.19470	1.9
505.18222	5.4
506.19513	1.8
508.20740	3.7
510.22412	1.7
517.17798	2.4
519.19794	2.5
524.20190	5.0
534.22241	2.3
538.21436	2.3
540.22992	1.7
548.20355	1.6
549.17072	2.4
556.22906	4.3
560.20050	4.5
564.23309	2.4
568.23236	1.9
574.21472	5.6
576.23065	2.6
582.24445	17.3
583.25208	1.4
590.20996	9.1
592.22748	9.0
599.24799	4.6
600.25354	5.0
605.22943	1.3
608.22266	91.1
609.22565	7.9
610.23822	24.5
615.24384	1.3
617.26208	11.8
622.23779	5.8
623.24042	2.0
624.24628	4.1
626.23267	51.8
627.23785	5.0
628.24872	45.8
629.25317	3.2
635.26758	3.2
640.24817	81.7
641.25208	15.9
642.26367	17.0
643.26141	1.3
644.24011	2.6
649.27777	2.5
658.25885	18.6
660.27405	26.4
729.27222	2.3
747.28320	5.0
765.29248	8.9
780.60083	1.3
783.17084	1.8
783.30579	22.0
784.30078	1.8
815.32239	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	813.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04954	0.9
62.38009	0.3
67.05458	0.7
67.10538	0.3
68.04951	0.5
69.03369	0.8
69.07005	0.4
69.40195	0.6
69.40596	2.6
70.06531	1.5
71.04953	0.4
72.04456	0.4
73.02885	0.7
79.05438	0.8
81.03384	0.7
81.06975	0.8
82.06494	0.4
84.04417	0.5
84.08114	0.9
85.02829	1.5
86.09643	0.7
87.04396	1.4
89.06014	5.1
89.63174	0.4
91.05393	1.1
93.06953	1.2
94.06496	0.6
95.08559	0.7
96.08051	0.6
97.02853	0.6
99.04388	0.4
105.06960	0.8
106.06536	2.0
107.08511	0.7
108.04494	0.4
108.08035	0.8
108.69991	0.4
108.95211	0.3
109.02803	0.7
109.10088	0.4
110.05965	0.8
110.07113	0.6
115.03878	0.4
117.06906	0.4
119.04880	0.6
119.08491	0.5
120.08028	0.9
121.06401	0.7
122.05959	1.2
124.07571	11.3
126.05433	0.4
127.03867	0.5
130.08598	0.5
131.04877	1.0
133.08575	3.4
133.10054	0.9
134.05952	1.0
136.06084	0.4
136.06470	0.5
136.07553	7.6
137.05940	1.9
138.09044	0.8
140.06979	0.8
145.10048	0.7
146.06035	2.7
146.09599	1.9
147.08011	0.6
148.07549	4.2
149.05994	0.4
150.05382	0.7
150.09053	0.7
152.07092	1.8
154.04892	0.5
158.05891	0.5
161.09486	0.7
162.05431	0.5
162.07584	2.4
164.07043	19.3
166.08603	22.1
167.06996	0.6
171.95184	0.4
172.03922	2.4
173.04710	0.4
174.05473	3.3
176.07040	5.1
177.05479	0.5
177.11121	1.6
178.11533	0.5
190.04929	0.9
191.05687	1.0
192.06447	1.1
195.09103	0.4
197.10622	0.5
198.86296	0.4
199.12309	0.7
204.06528	3.3
206.08086	1.3
208.09586	0.7
210.11429	1.1
211.12222	1.0
217.08572	0.4
218.07953	1.1
220.09631	0.4
221.10677	1.3
222.11351	0.8
223.12263	1.4
224.13103	0.5
225.10095	1.0
225.13687	0.8
227.11797	0.9
235.08617	0.8
235.12195	1.3
236.09212	0.5
236.13017	0.9
237.10173	5.0
237.13750	2.5
238.10941	3.3
238.14496	0.5
239.11768	6.5
241.09613	0.5
241.13353	0.7
243.11226	0.8
245.12843	1.1
246.07574	0.6
247.12349	0.7
248.09227	2.2
249.10168	5.0
250.10928	3.9
251.11734	10.4
252.12360	1.4
253.13257	2.9
254.10654	0.5
255.11150	0.8
259.10736	0.6
261.10083	0.4
262.06970	0.5
262.10901	0.8
263.11716	19.3
264.08783	1.4
264.12482	3.9
265.09692	8.2
265.13284	34.7
266.10355	1.2
266.13904	2.4
267.11243	2.0
267.14914	0.5
268.11835	1.0
269.12833	4.8
270.13351	0.6
271.11234	0.6
271.14322	3.6
275.11765	0.9
277.09680	4.7
277.12796	0.6
278.10287	2.5
279.11227	39.1
280.12000	2.6
281.12631	2.5
282.13617	1.8
283.10770	1.4
283.14365	2.0
284.11432	0.8
285.12308	0.6
287.11029	0.4
287.13812	2.9
291.11203	8.9
292.12094	2.5
293.12778	7.5
294.13815	2.1
295.10760	9.3
295.14200	1.3
296.11398	1.6
297.12274	20.9
298.12982	2.4
299.13724	1.4
301.11908	0.7
303.13223	1.0
305.14929	1.4
309.12274	57.3
310.13043	23.5
311.13831	23.4
312.14639	4.9
313.15381	1.5
315.13321	1.6
319.10687	7.9
320.11362	0.9
321.12128	2.3
323.10287	0.7
323.16159	2.6
324.10983	0.9
325.11569	1.3
329.15067	0.7
330.16086	0.5
331.16693	0.8
337.11752	100.0
338.12500	36.9
339.13324	18.8
339.17557	0.7
340.13992	1.5
355.12845	0.7
356.13312	0.7
357.14401	1.3
369.14395	27.6
370.15134	8.4
371.15967	11.0
372.16907	0.6
374.14877	1.2
384.13638	0.5
386.14996	0.6
388.16687	0.6
390.18137	0.9
398.14999	1.0
399.15594	1.7
400.16580	2.6
401.13339	3.2
406.17300	0.5
414.18146	0.6
416.15759	1.0
417.16711	1.3
418.17493	0.8
422.20776	0.7
430.17307	0.6
433.15842	0.7
434.16925	1.7
434.21420	0.8
436.22226	31.6
437.22525	1.1
458.17050	3.0
459.17761	1.9
462.20151	33.0
463.20724	0.8
464.21936	0.6
469.64877	0.4
476.17996	2.5
480.21213	15.3
494.22827	84.5
495.23685	2.5
541.23444	0.5
559.25336	2.4
575.28778	1.1
583.25372	7.7
591.27850	1.6
601.26477	9.7
602.25562	0.6
606.24384	1.0
615.27954	2.8
619.27502	40.6
620.27631	1.2
624.25201	1.5
633.29376	2.1
651.30109	22.3
652.30383	0.8
657.15631	0.4
745.29926	0.9
763.31171	0.9
769.36584	0.4
781.32855	1.7
813.35016	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03414	0.8
61.02876	0.7
67.05457	1.2
68.04981	1.3
69.03420	2.7
69.07019	0.7
70.06583	2.0
71.04961	0.6
71.54388	0.6
72.08116	0.7
73.02874	0.9
77.57390	0.4
79.05435	1.4
80.04988	0.5
81.03359	1.6
81.06995	1.7
83.04922	0.7
84.04485	0.6
84.08076	1.1
85.02887	3.5
86.09638	0.5
87.04412	0.4
88.02175	0.4
89.03876	0.5
91.05423	1.7
93.06997	1.6
94.06503	1.4
95.04921	0.8
95.08558	1.4
96.04456	0.5
96.08111	1.9
97.02872	2.1
97.06473	0.6
99.04400	0.5
103.05432	0.5
105.07037	2.0
107.04910	0.7
107.08567	0.9
109.02827	1.2
109.10115	0.6
110.05951	1.0
111.04408	0.5
116.04932	0.5
117.05392	0.4
117.06978	0.5
118.06479	0.5
119.04900	0.8
119.08529	1.3
120.04399	0.6
120.08041	1.2
121.05230	0.5
121.06448	0.8
121.10083	0.8
122.06005	4.1
124.07565	43.9
125.05905	0.6
125.07959	0.6
127.03856	1.5
129.05418	0.4
129.10158	0.5
130.08553	0.6
131.04842	0.6
132.08000	0.5
133.06403	0.9
133.10074	1.3
134.05060	0.4
134.05956	1.9
135.04333	0.5
136.06107	1.1
136.07544	1.9
137.05905	1.7
138.09071	0.8
140.07025	0.6
141.45094	0.4
143.08496	0.7
144.04381	1.4
144.06525	0.5
145.02785	0.9
145.05171	0.5
145.10042	1.5
146.05975	10.0
147.04320	1.3
147.06613	0.8
147.07906	0.5
147.11588	0.6
148.07568	2.5
150.05444	0.5
150.09012	0.4
151.03865	0.5
152.06990	1.6
156.07973	0.6
157.06467	0.4
157.10048	0.6
159.07851	0.6
160.03906	0.5
160.07515	1.0
161.05951	0.6
161.09514	0.4
162.05443	1.9
162.07576	2.0
162.08875	0.7
163.06259	0.6
163.11131	0.7
164.07039	1.0
165.09065	0.5
166.08617	0.6
167.07018	2.6
170.09587	0.6
172.03882	12.6
172.11169	0.5
173.04681	2.6
173.09506	0.9
174.05473	15.2
175.05966	0.5
176.07033	8.1
177.05386	1.6
177.07590	0.5
178.08545	0.4
179.06947	0.5
181.04761	0.5
184.07425	0.4
187.10852	0.5
187.12308	1.0
188.06972	0.7
189.12817	0.5
190.04958	3.0
191.05699	5.1
192.06497	2.4
197.10660	1.0
198.09247	2.1
199.08604	1.3
200.09406	0.8
201.10260	0.7
204.06516	27.0
205.06924	0.8
206.08076	7.7
207.06450	0.8
208.09647	0.5
211.08533	1.5
212.09209	0.9
213.10133	1.7
214.10936	0.7
215.11874	4.5
223.08656	0.6
224.09140	0.6
224.12901	0.4
225.10094	2.9
226.08496	1.4
226.10608	0.7
227.08165	0.5
227.11714	1.5
229.09555	0.6
229.13242	0.5
237.10141	1.3
238.10785	0.5
239.07936	0.6
239.11699	1.3
241.09669	2.5
241.13324	0.9
241.15678	0.5
243.11243	25.0
244.11609	0.7
245.12689	0.7
248.45287	0.4
249.10220	1.1
251.11745	1.6
253.09665	1.3
253.13391	0.5
254.10332	1.0
255.11127	1.3
256.11896	0.5
257.09204	0.9
257.12784	1.2
259.10699	1.7
263.11606	0.6
263.14014	0.6
264.08798	1.3
265.09656	1.9
266.10400	1.2
267.11307	1.9
269.09204	2.2
269.12762	10.4
270.10025	0.9
270.13150	0.7
271.10898	2.0
271.14368	2.2
273.12125	0.8
274.13086	0.6
275.13815	0.6
277.09656	0.8
278.10400	0.8
279.11194	1.7
280.11887	0.6
281.09250	1.0
281.12610	0.8
283.10715	4.4
284.11362	1.9
285.12274	24.3
287.10150	3.2
287.13309	0.6
295.10577	1.0
296.11328	0.7
297.12277	17.4
298.12790	1.2
299.10211	2.8
299.13870	1.3
300.11087	0.8
301.11655	2.2
302.12610	0.9
303.13333	56.6
304.13745	2.7
305.15225	0.5
307.10446	0.6
309.08630	0.4
309.12219	0.7
310.12988	0.6
311.10355	0.9
311.13840	0.9
313.11774	1.4
314.12729	0.5
315.13358	11.4
315.17078	0.8
316.10764	1.3
316.14285	1.0
317.11694	0.7
317.15390	0.9
318.15799	2.3
319.16745	1.8
323.10199	1.2
324.10791	0.7
325.11694	1.4
327.13339	0.7
328.14294	0.5
329.11902	0.6
329.14929	12.8
330.12253	1.6
330.15665	0.6
331.12976	1.5
332.13928	0.9
332.17429	0.8
337.11758	0.6
338.12534	0.5
339.13577	0.6
340.14139	0.7
342.16098	0.6
343.13580	0.8
344.13879	2.5
345.14795	1.9
346.15384	3.2
347.16125	2.9
348.16861	0.9
353.11227	0.6
354.12259	0.7
355.13251	0.7
356.13754	1.2
357.11191	0.5
358.11667	1.3
358.15475	2.4
359.16400	0.5
360.17004	3.4
368.13708	1.1
370.11728	1.1
370.15469	1.1
371.12604	1.6
372.13266	4.6
372.17160	0.5
373.14035	2.8
374.14706	4.4
376.16632	1.1
378.18042	1.3
381.10547	0.5
384.12729	0.9
384.17126	1.0
385.14133	1.3
386.14905	6.9
387.15732	6.8
388.16504	5.2
389.17355	0.6
390.14072	0.5
390.18546	0.5
393.14038	0.4
396.13461	1.2
398.14899	1.0
399.15497	0.7
400.12781	1.8
400.17065	0.8
401.13577	1.6
402.14310	1.7
402.18246	1.4
403.15091	0.6
404.15875	2.8
405.16928	2.0
406.17538	4.0
407.18265	0.5
408.19153	0.6
412.16400	1.1
413.13992	0.7
414.14343	7.4
415.15155	15.6
416.15952	22.3
417.16275	1.4
418.17545	1.5
419.18454	0.9
428.16156	2.2
429.16528	1.6
430.17755	4.1
431.18127	0.9
432.15286	2.7
433.16193	5.1
434.17010	5.0
438.14438	1.2
441.16339	1.1
446.16986	5.5
447.17694	4.8
456.15405	4.8
457.16125	2.8
458.17093	1.7
459.17630	1.1
460.14999	1.7
465.18567	6.2
474.16483	17.3
475.17230	10.8
476.17984	3.8
488.17972	0.8
489.18839	0.8
490.19376	0.5
506.19315	1.9
507.19577	0.8
555.25824	1.1
557.23706	1.6
581.23938	5.3
599.24884	100.0
600.25238	7.1
613.26202	2.3
617.25757	0.6
631.27484	22.1
632.28271	1.9
636.21735	0.7
637.22290	0.5
649.28137	0.5
681.28436	0.4
707.27191	0.6
725.27539	1.2
738.25903	0.4
743.28943	1.7
761.30011	12.5
762.29498	0.8
767.40643	0.6
779.29651	0.5
793.32025	2.5
811.38831	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	808.5548
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	19.7
57.07059	3.4
59.10474	2.1
61.02913	3.9
62.81989	1.8
65.03934	3.1
67.05496	86.1
67.57677	2.3
69.03407	4.0
69.07058	20.3
71.04975	3.5
71.26277	4.4
79.05485	61.3
81.03378	2.3
81.07045	82.5
83.04942	4.9
83.08601	12.5
84.08123	5.4
85.02880	4.1
85.06511	4.4
91.05471	42.7
93.07032	76.2
95.04953	7.6
95.08596	70.6
96.08907	2.3
97.02850	5.2
97.06519	4.9
97.10161	5.9
99.08091	2.8
105.07011	37.9
107.08582	42.8
109.06502	5.7
109.10139	33.8
110.35342	1.8
111.08066	3.2
117.06992	12.8
118.07858	1.9
119.08559	33.0
121.10127	36.3
123.08032	3.9
123.11682	8.2
125.09646	2.3
127.03864	3.6
128.06216	1.9
129.06989	4.7
130.08601	7.6
131.08549	23.3
133.10130	29.4
135.07997	2.0
135.11658	20.2
137.13335	2.0
143.08557	3.9
145.10100	21.0
146.08073	2.7
147.10609	3.1
147.11661	21.5
149.13237	8.8
151.11124	2.2
157.10114	5.5
159.11661	15.2
161.13240	11.1
163.14847	3.3
171.11630	4.4
173.11906	2.3
173.13220	12.3
175.14911	5.1
179.14282	1.8
185.13257	5.8
187.14819	7.7
199.14845	3.8
203.17920	2.3
241.19435	9.0
243.21033	2.1
259.20593	19.5
261.22113	7.8
277.21609	12.9
295.22311	2.4
325.13608	2.6
333.24261	14.8
335.25754	100.0
336.26178	3.8
337.27304	2.4
351.25308	40.7
370.73813	1.9
476.77469	2.0
519.41846	2.3
529.38904	3.1
593.44568	2.1
611.46649	44.6
612.46747	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	808.5547
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	14.0
57.07056	8.0
61.02894	2.9
61.58580	2.0
63.18402	1.9
65.03948	2.9
67.05494	92.2
69.03404	3.3
69.07056	26.5
70.77883	4.4
70.78260	3.9
71.04983	5.0
71.08635	3.0
73.65842	2.3
77.03879	2.0
79.05482	74.3
81.03380	2.9
81.07042	94.9
81.07520	4.7
82.07391	2.1
83.04950	4.7
83.08605	13.8
84.08108	2.5
85.06525	2.3
90.89963	2.2
91.05465	81.7
93.07030	100.0
93.07624	4.9
95.04948	9.8
95.07972	4.0
95.08591	74.0
97.02926	2.3
97.06512	4.0
97.10157	7.8
99.08068	3.8
103.05477	2.5
105.04500	3.7
105.07014	81.4
107.08576	53.0
107.19827	2.0
109.06510	3.3
109.10149	28.7
115.05425	2.8
117.06995	29.8
117.07740	2.8
119.08557	62.1
121.10130	45.0
123.11674	7.3
124.26642	1.9
128.06126	2.6
129.07024	13.3
130.07771	2.3
130.08644	2.9
131.08548	36.8
133.10112	52.0
133.17950	2.0
135.08051	3.3
135.11664	28.6
137.13277	3.0
143.08540	10.5
145.10103	27.5
146.08049	2.6
147.11670	39.2
149.09608	2.5
149.13194	16.4
157.10109	13.3
159.11674	27.6
161.13240	32.0
163.14861	5.5
169.10165	4.5
171.11688	14.0
173.13268	18.3
175.11072	2.5
175.14827	12.9
177.12808	2.7
177.16263	2.5
183.11642	3.8
185.11728	2.6
185.13130	10.3
187.14801	10.1
189.12715	3.9
192.31190	2.0
197.13216	5.6
199.14771	9.6
201.16302	2.9
213.16451	3.7
229.19366	2.2
231.21004	7.5
239.17831	4.2
241.19493	23.0
243.20982	3.8
257.18945	10.3
259.20544	64.8
260.20892	4.2
261.22113	12.5
285.22098	2.5
301.21323	2.3
315.23102	5.4
331.22665	3.2
333.24188	53.3
335.25739	87.9
336.26105	3.7
337.27377	8.5
414.57373	1.9
501.41089	2.7
519.41809	7.5
537.42877	2.5
593.45789	18.0
611.46606	68.1
612.46741	7.4
701.47015	2.8
737.49792	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	808.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	2.1
57.07052	0.9
59.04983	1.8
61.02917	0.6
63.07365	0.5
65.03927	0.6
67.05492	6.1
69.03407	1.6
69.07058	12.0
70.06575	2.0
70.07372	0.5
70.37101	0.5
70.44380	1.7
71.04985	3.2
72.04482	0.6
72.08135	0.5
73.02895	1.4
74.02430	0.6
75.04457	0.8
79.05479	4.4
80.05029	0.7
81.03403	1.6
81.07043	11.5
82.06563	6.7
82.07356	0.7
83.04945	2.6
83.08604	1.4
84.04491	1.3
84.08138	1.3
85.02891	3.3
85.06511	1.5
86.06042	1.0
86.09689	1.3
87.04438	2.0
89.06015	10.4
91.03944	0.6
91.05447	1.9
93.06464	0.8
93.07030	8.0
94.06554	3.5
95.04947	1.5
95.08585	11.4
95.79594	0.5
96.08056	0.5
96.08940	0.6
97.02878	1.9
97.06509	3.1
97.10137	2.1
99.04433	1.4
99.08065	0.7
100.07589	5.9
100.11227	2.6
101.05996	0.8
101.80605	0.5
103.03928	0.9
105.07018	2.2
107.07079	0.5
107.08569	1.7
108.08092	0.9
109.02888	0.7
109.10155	2.9
110.06027	0.7
111.04372	0.5
111.11713	1.0
111.60731	0.5
112.07619	1.2
119.08569	2.8
120.08104	0.8
120.37088	0.4
121.10107	5.9
122.06015	12.8
123.04412	1.3
123.11667	0.8
124.07621	0.9
126.05473	0.7
127.03904	1.0
128.07028	3.3
131.04900	0.7
131.07021	0.8
133.08572	9.1
133.10149	1.2
134.06020	1.4
135.08049	0.7
136.06195	2.4
136.07545	1.7
137.05960	2.1
137.09596	0.8
137.13205	0.6
138.05475	1.4
139.11145	10.4
140.07034	25.3
141.01816	1.4
141.12691	0.9
144.04457	0.6
144.06522	0.6
145.10071	0.6
146.06003	7.0
146.08081	18.2
147.06673	0.7
147.08008	1.2
147.11641	0.9
148.07527	1.3
149.13161	0.7
155.14253	2.6
156.13795	0.7
157.12248	1.6
159.11664	0.7
161.05873	0.8
161.09616	1.0
162.05486	1.5
162.07585	4.3
163.07509	0.9
165.09096	1.1
166.08557	0.6
167.07050	4.2
172.03905	8.2
172.70572	0.5
173.04674	1.4
173.06056	0.6
174.05486	13.4
175.14952	0.7
176.07004	4.4
177.11203	3.8
178.08598	0.5
181.04979	0.8
182.15387	1.2
183.13782	4.8
190.04930	2.9
191.05678	1.9
192.06516	2.0
197.10751	1.1
199.12363	1.1
201.14851	1.2
204.06525	22.4
205.06956	1.1
206.08055	5.9
210.09149	1.1
210.14954	1.8
211.08676	1.6
213.14859	1.7
213.91592	0.5
221.13934	1.2
224.09457	1.5
225.10213	3.5
227.11739	10.4
231.15845	14.3
231.19415	0.8
237.10237	1.9
239.11758	2.2
239.15135	0.9
241.09740	1.8
241.13319	0.6
249.10243	1.5
250.10788	0.7
251.11765	3.5
253.09720	2.0
255.11388	0.7
259.14542	0.7
261.12332	1.1
263.08209	1.3
265.09653	2.9
267.11288	1.8
269.12790	8.7
271.10760	3.4
272.11209	0.6
278.10513	0.7
279.11078	2.4
280.11905	0.6
281.09705	0.7
281.12906	1.3
283.10764	4.7
283.17520	1.4
284.11462	4.3
285.12210	6.0
286.12817	0.8
287.13852	21.0
288.14459	1.0
289.20245	1.1
291.11087	1.1
293.12967	0.9
295.10770	1.5
295.14926	0.5
297.12210	3.3
298.12726	0.9
300.12186	0.7
301.12097	1.0
309.12299	1.4
310.13010	0.8
313.11728	15.1
314.12430	0.8
315.13702	0.8
315.21542	0.5
316.14386	2.5
323.10156	1.5
323.13748	0.6
324.10931	1.6
325.11890	2.2
326.16394	0.7
327.13733	4.1
327.16898	0.7
327.20135	5.5
328.14514	1.2
329.11627	2.0
329.15161	1.1
330.12271	1.5
330.16052	2.5
331.12900	6.7
331.16803	4.9
332.17484	0.7
335.10059	0.7
336.11124	0.7
337.11966	1.7
339.13333	8.1
340.14044	1.3
342.12338	2.6
342.16199	0.8
343.13123	1.8
344.17529	3.0
345.14352	12.4
346.14911	0.7
352.14270	0.7
353.11356	0.9
354.15811	1.6
355.13425	0.9
356.13916	2.3
357.14868	1.8
358.15472	5.7
360.17169	0.5
363.15482	2.2
365.11295	1.0
367.12796	6.7
368.13687	1.5
370.11484	0.8
370.15494	1.8
371.16855	0.7
372.17169	2.8
382.11798	1.4
382.15970	0.8
383.12991	1.2
384.13342	7.0
384.17630	0.8
385.13989	3.1
386.14438	3.9
386.18729	1.4
388.16824	1.1
390.18204	3.6
392.20032	0.8
398.14832	9.4
399.15671	17.3
400.16473	26.0
401.17017	1.7
402.14301	1.2
403.19003	1.0
412.16592	2.1
413.17422	0.7
414.18100	5.6
415.18851	1.9
416.16040	1.6
417.16776	7.0
418.17444	7.2
419.17392	0.6
430.17523	2.8
431.18317	2.9
440.15994	6.8
440.29333	0.5
441.16641	1.8
442.17358	0.6
444.15506	1.7
458.17035	22.1
459.17731	13.8
460.18539	2.2
471.31351	0.8
474.17581	0.7
490.19720	2.2
491.20111	0.8
508.20795	2.0
523.35016	1.3
540.23334	7.6
541.23492	0.7
555.25916	0.8
557.23785	0.7
581.23999	1.8
597.38470	4.3
599.24884	100.0
600.25238	7.2
615.38910	0.9
617.25885	2.1
617.35687	0.7
629.25568	1.2
631.27509	58.2
632.27649	2.6
647.27399	0.6
756.13879	0.6
768.71594	0.6
807.60498	1.0
808.62531	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	807.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05196	1.0
58.06578	1.0
65.03932	1.4
67.05493	5.7
69.03424	2.5
69.07056	8.9
70.06572	3.2
71.04972	2.5
71.09816	2.1
72.08133	0.9
73.02909	1.1
79.05472	2.2
80.04968	1.5
81.03406	1.3
81.07047	4.2
81.96120	0.9
83.04952	1.1
84.08096	1.4
85.02872	3.7
85.06534	1.3
86.09688	1.5
89.03895	1.5
89.06049	1.3
91.05434	1.9
93.07025	1.9
94.06552	14.9
95.04949	5.1
95.08608	5.6
96.04446	1.4
96.08893	1.0
97.02815	1.0
103.03927	4.1
105.07030	2.1
106.06522	1.6
107.04921	1.9
108.04442	1.0
108.08080	3.7
109.06538	2.1
110.06015	1.2
112.07578	4.0
116.04990	4.9
117.05680	1.4
118.06546	3.0
119.08537	2.4
120.04408	1.4
120.08087	2.7
121.05231	1.7
121.16003	0.9
122.06007	53.7
123.04427	3.3
123.06728	1.5
124.07590	5.9
127.03815	1.4
132.08066	1.4
134.06012	5.9
136.07533	4.9
137.05940	1.4
140.07040	65.5
142.08604	1.7
144.04428	11.2
145.05229	1.7
146.04817	2.3
146.05984	44.4
147.06793	5.9
148.07535	11.4
150.05501	2.3
150.09172	1.4
151.07478	1.1
152.06992	1.3
154.08559	1.6
160.07529	2.1
162.05479	9.2
162.07623	3.3
162.09067	1.3
164.07045	4.4
166.08620	1.4
167.06989	5.0
172.03902	66.0
172.07484	1.8
173.04761	5.2
174.05476	36.8
175.06107	2.2
176.07036	37.8
177.07547	1.5
178.05040	1.1
178.08643	1.6
181.04898	1.3
181.08437	1.0
182.09613	1.0
186.05380	1.2
188.07051	2.8
190.04956	24.6
191.05763	6.3
192.06543	9.8
193.46762	1.0
199.08765	1.2
200.07156	1.2
202.04996	2.0
202.08575	1.3
204.06520	73.1
205.06963	2.5
206.08089	24.1
208.09657	3.3
210.09222	1.4
210.11365	1.8
211.12268	2.1
212.10751	1.6
212.16463	1.3
216.06543	2.8
216.10179	1.9
220.05907	1.3
222.11435	1.0
223.12280	1.1
224.09186	1.7
225.10152	6.0
226.08679	2.3
226.10788	1.6
227.11787	3.9
230.04459	4.0
234.07544	1.5
234.11400	2.1
235.08551	1.7
235.12173	1.9
236.09380	1.8
236.13062	1.2
237.10170	7.0
238.11029	4.3
239.11685	6.2
240.10115	1.9
241.09691	1.6
241.13197	1.4
243.11247	2.9
244.05931	1.8
244.09709	2.1
249.10181	4.0
250.10753	2.3
251.08002	1.4
251.11797	6.2
252.08853	1.7
252.12587	2.2
253.09674	2.6
253.13243	1.3
255.11201	1.7
261.10004	1.9
261.12372	6.1
262.10995	6.6
263.08157	1.8
263.11777	6.0
264.08905	3.2
264.12579	2.9
265.09686	14.3
265.13177	3.3
266.10452	7.9
267.11203	10.0
269.12839	3.3
271.10861	2.4
274.07080	1.0
275.11758	3.7
277.09656	7.6
277.13150	1.9
278.10516	4.3
279.07999	1.6
279.11121	28.1
280.12039	7.3
281.09265	2.6
281.12869	3.7
283.10693	4.8
284.11569	3.2
285.12253	8.2
287.13895	10.5
289.09656	2.7
291.08179	1.2
291.11288	6.0
292.08234	1.6
292.11636	1.5
293.09186	3.4
293.12769	6.4
294.09937	2.0
294.13577	1.6
295.10736	8.4
295.13983	1.5
296.11444	4.9
297.12314	21.4
297.15564	1.1
299.13962	1.2
300.12308	1.5
303.11230	3.8
305.09186	4.6
305.12723	3.4
306.09952	7.4
307.10736	26.2
308.07889	1.2
308.11237	4.9
309.12222	8.9
310.12875	1.7
311.10156	2.9
311.13818	4.5
313.11743	34.9
315.13644	1.8
319.10736	3.8
320.11423	2.3
321.08783	1.3
321.12256	28.8
322.09604	1.3
322.13028	5.7
323.10132	4.6
323.13779	5.4
324.10812	5.1
325.11795	9.3
327.13437	1.5
329.15250	1.3
330.16046	2.4
331.12982	22.9
331.16806	2.0
333.12317	1.8
335.10355	3.0
335.13956	1.4
336.10971	1.5
337.11743	9.7
338.08804	2.0
338.12820	3.0
339.09622	2.4
339.13406	10.0
342.12140	2.4
345.14447	46.6
347.10248	1.7
349.11771	6.5
350.12244	1.2
351.13358	2.0
352.10410	1.6
353.11105	5.2
353.15222	1.5
354.11923	1.2
354.15948	2.4
355.13861	1.9
356.13736	1.4
357.10562	1.4
357.14832	1.6
358.15433	2.5
361.11795	2.6
363.15115	2.2
364.14352	2.3
365.11224	4.1
366.12076	6.7
366.16006	1.7
367.12817	10.4
368.13654	2.8
369.14688	2.0
370.15530	2.4
372.17068	1.4
374.12991	1.4
379.12787	5.0
380.13812	2.0
381.10239	1.3
381.14801	2.0
382.11316	1.7
382.15689	2.5
383.16635	1.4
384.13171	4.9
385.13913	4.2
386.14755	2.4
388.16394	1.1
390.18546	1.2
391.12924	2.6
394.11075	1.6
394.15543	1.5
395.12155	1.3
396.12674	1.6
396.17328	1.3
397.14194	2.1
398.14682	6.1
399.15793	6.1
400.16531	17.7
401.16962	1.6
405.10373	1.2
406.15558	1.6
408.17441	1.3
409.13821	2.2
410.14844	5.4
411.16013	1.4
412.16467	3.4
414.18167	1.9
416.19821	1.5
417.16245	1.8
418.17593	5.0
421.13971	1.4
422.14969	1.4
424.16504	2.6
425.13177	2.1
427.14844	10.8
429.12778	4.0
438.14078	7.8
439.14981	2.4
440.15970	5.7
441.13068	1.5
442.17557	3.4
445.16132	6.3
448.16306	1.6
450.13937	1.5
453.12476	8.9
454.17911	1.9
458.17239	6.8
459.17819	2.6
460.18542	13.1
464.16055	1.4
466.13129	5.8
466.19565	2.7
467.14063	1.6
468.15399	3.6
470.17026	3.5
476.16107	3.3
478.18744	2.0
480.15396	3.1
482.16797	3.0
484.14313	1.4
485.15961	1.8
492.15051	1.8
492.21393	2.1
494.18414	4.9
495.13510	2.8
496.14575	3.4
498.16431	4.1
500.18265	1.6
506.16815	1.6
508.13779	1.3
510.16443	5.1
511.13248	3.6
513.14880	13.2
518.16656	2.0
524.18390	1.5
526.15424	6.7
527.16321	1.9
528.17303	3.0
536.17853	6.6
537.18567	2.0
540.18213	1.1
544.16669	2.5
545.17218	3.6
550.15973	1.8
552.17224	1.6
554.18921	5.4
556.17163	3.5
568.16907	2.9
572.20398	1.9
575.19232	1.6
584.23901	1.8
598.18188	7.5
599.24933	22.2
600.26196	2.7
601.26379	5.2
616.19159	28.6
617.19733	6.6
618.20172	2.2
631.27075	3.1
633.29193	1.8
634.20367	1.3
636.20868	1.4
639.23999	6.1
641.25897	2.7
648.21368	3.1
649.22308	3.9
651.23743	2.7
652.21008	6.5
659.24622	2.3
667.23792	22.1
668.24194	1.3
677.25854	26.9
684.23560	2.6
685.25134	6.4
695.26752	7.2
709.24872	19.0
710.24823	1.6
715.25372	2.7
721.24316	2.9
739.25970	14.5
740.25763	1.7
757.27002	100.0
758.27057	7.8
775.28119	12.7
776.28430	1.4
789.29517	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	807.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	1.4
59.04982	2.0
65.03926	2.2
67.05479	4.8
68.05008	2.8
69.03415	1.6
69.07064	6.0
69.31221	7.0
69.31640	4.0
70.06583	7.7
73.02903	1.4
79.05459	1.3
81.07047	2.6
83.04954	1.2
84.04459	1.5
84.08115	2.7
85.02869	5.2
86.06064	1.6
86.09673	2.7
89.06002	1.6
91.05448	4.5
93.07019	3.7
94.06557	10.2
95.04961	3.3
95.08552	1.8
95.56911	1.1
97.02872	1.4
99.04387	1.3
100.11224	1.4
102.94946	1.2
103.05430	1.9
105.06975	4.1
107.04922	1.9
107.08567	2.5
107.82705	1.1
108.08074	3.7
110.07142	1.4
112.07554	1.6
116.04901	1.9
118.06467	1.8
119.08549	2.0
120.04430	7.2
120.08066	3.6
121.05264	6.1
121.06464	1.8
121.10077	1.3
122.06001	33.1
123.04417	2.6
124.07550	1.8
127.03888	1.7
131.05002	1.3
133.06468	1.3
133.08568	1.7
133.10075	2.5
134.05984	7.3
136.07530	3.8
137.05930	4.5
138.05441	2.3
140.07034	37.2
141.01787	1.3
144.04413	3.7
145.10109	1.3
146.05974	19.4
147.04277	1.6
147.06714	3.3
147.11624	1.2
148.07491	6.0
149.05966	2.0
149.08322	1.6
149.09563	2.0
150.05473	3.3
151.03821	2.1
159.07881	1.4
160.07599	2.8
161.05937	1.8
161.09587	1.8
162.05464	12.5
162.07593	3.3
163.07620	1.1
164.07034	4.8
165.09154	1.2
166.05069	1.2
167.06992	5.0
172.03899	19.5
172.07512	1.5
173.04649	2.5
174.05478	23.0
175.06198	1.4
176.05502	2.4
176.07039	46.0
177.05421	3.0
178.04932	4.7
181.04909	2.6
188.07004	3.1
190.04956	13.7
191.05617	7.8
191.07169	1.7
192.06488	10.4
193.07057	1.2
200.07091	2.1
202.04915	1.2
204.06520	36.2
204.08441	2.2
205.06926	1.4
206.04506	2.5
206.08154	12.5
207.06519	1.5
208.09691	3.0
209.08041	1.5
210.11371	1.6
216.06583	2.3
216.10149	9.6
218.08055	2.2
220.05984	6.5
222.07603	2.5
223.12103	1.3
225.10114	2.1
227.11734	5.2
230.07968	2.0
234.07597	1.8
234.11392	2.5
235.12276	1.5
236.09341	2.9
237.10207	4.1
237.13799	1.8
238.08557	1.5
238.10797	2.0
239.11734	4.6
243.11269	7.7
244.09602	2.9
247.12173	1.9
248.05473	2.4
248.09380	2.4
249.10214	11.0
250.07094	3.5
250.11043	4.2
251.07826	3.7
251.11749	9.7
252.12395	1.6
253.09592	1.5
254.04642	1.4
258.07565	1.4
261.10211	1.4
261.12335	17.2
262.10931	5.7
263.08377	1.8
263.11752	25.8
264.08841	9.5
264.12479	28.0
265.09937	10.8
265.13052	11.4
266.10422	9.6
266.13431	1.7
267.11346	6.6
269.12891	6.1
271.10645	2.4
272.05301	1.3
273.10141	1.5
274.06763	1.5
275.11755	4.8
276.08887	1.9
276.12680	2.2
277.09641	10.9
277.13245	3.5
278.10425	10.4
279.11118	46.2
280.11752	3.5
281.12799	2.6
283.10809	4.1
284.11389	2.7
285.12326	5.1
287.13867	11.6
288.08728	2.5
289.09598	5.2
289.49234	1.4
290.10513	2.9
291.08047	2.7
291.11206	30.6
292.08322	4.2
292.11884	5.1
293.09177	7.2
293.12759	21.6
294.09866	8.8
294.13339	3.4
295.10791	12.7
295.13959	2.0
296.11517	5.2
297.12231	9.4
299.13846	2.0
303.11108	7.6
304.08597	1.9
305.09149	10.4
305.12784	5.1
306.09875	15.9
307.10703	84.1
308.11203	4.8
309.12274	14.0
310.12894	5.5
311.13773	2.4
313.11765	21.8
316.14343	2.2
317.09030	4.6
317.12314	1.8
318.09845	2.4
319.07166	2.5
319.10684	29.3
320.07758	7.7
320.11432	6.7
321.08722	2.1
321.12222	24.9
322.09439	3.0
322.12936	5.7
323.10101	6.4
323.13834	4.0
324.10947	6.9
325.11710	4.9
326.12451	2.2
327.13400	1.5
330.09711	1.7
331.12729	6.9
333.08566	8.7
333.12262	2.6
334.09363	4.2
335.10168	15.3
336.10809	2.5
337.11743	20.3
338.08694	2.2
338.12503	8.4
339.13376	9.1
345.08560	3.0
345.14529	19.2
347.10117	8.9
347.15381	2.0
348.10791	3.9
349.11755	24.7
351.13284	3.1
358.15457	2.1
359.10120	2.1
361.11929	1.5
363.09543	2.3
365.11243	100.0
366.12006	30.1
367.12784	23.2
368.13342	1.9
369.14423	8.5
370.14963	2.6
371.16013	1.8
375.09613	7.1
376.10361	3.1
377.11124	13.0
378.11844	2.5
379.12799	4.5
380.13956	1.7
383.12109	1.5
384.13358	3.2
386.14655	1.7
387.09738	1.5
389.11078	3.5
391.12857	3.7
392.09824	2.0
393.10712	33.6
394.11401	12.6
395.07275	2.4
395.12289	39.0
396.12555	2.7
397.13696	5.0
398.14978	4.3
399.15634	4.6
400.16406	16.9
401.17130	2.9
403.12769	1.6
405.10739	4.6
407.12228	4.0
409.13498	2.5
411.15659	2.1
414.17938	2.0
417.10437	1.6
418.17358	4.2
420.18845	2.0
423.11566	5.2
423.16422	2.0
425.13455	10.0
426.13934	4.4
427.14886	4.4
431.12381	2.9
433.14169	2.5
435.11426	2.1
437.13376	6.3
439.15018	1.9
440.16129	2.1
442.17502	1.5
445.15918	6.6
449.13327	7.3
451.15363	3.8
453.12738	4.4
455.14148	4.6
458.17099	7.4
459.11615	2.7
459.17618	3.1
460.18549	12.6
462.19757	1.6
463.16876	7.2
466.13461	8.7
466.19678	3.0
467.14188	8.8
469.16010	1.7
477.13010	6.5
478.19556	2.5
479.14807	1.9
483.13959	1.3
483.17499	2.3
485.15182	1.7
492.21115	1.8
495.13855	13.3
496.14630	8.9
497.15411	3.4
498.22165	1.7
509.14957	2.8
511.12955	3.6
513.15039	23.6
526.15961	1.8
527.16504	22.3
534.18597	6.1
535.18976	1.7
536.20349	1.8
541.14825	3.1
543.15643	4.2
545.17700	9.2
564.19440	3.8
566.21118	4.3
567.22113	2.3
588.19452	2.9
590.20966	2.9
596.22437	7.7
599.24915	43.9
600.25098	3.9
601.26685	10.8
606.20465	9.9
616.19226	8.5
618.20642	4.6
631.27960	6.5
631.36694	2.1
634.20203	92.9
635.20361	8.4
636.21838	12.7
648.21674	11.5
652.21307	9.5
653.21704	2.6
654.22571	4.6
666.22766	88.5
667.22870	7.3
668.23798	5.6
731.28729	2.9
739.25433	2.6
757.27118	20.5
775.28052	48.7
776.27344	4.3
789.29150	5.7
807.30383	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	807.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04964	1.3
56.21536	1.3
57.03423	2.4
59.04991	1.1
60.04501	1.5
61.04306	1.4
65.03934	2.2
67.05494	10.8
67.75369	1.3
68.05003	2.1
69.03405	4.2
69.07061	14.6
69.34322	9.9
69.34733	2.4
70.06560	4.7
71.04993	1.7
72.08124	1.5
75.31183	1.3
79.05457	6.5
80.04979	1.6
81.03418	2.1
81.07037	11.4
83.04961	1.6
83.08593	3.1
84.04025	1.3
84.08135	3.3
85.02901	6.8
85.06522	1.5
86.06047	1.3
86.09673	3.6
89.03918	1.5
89.05995	3.8
91.05465	4.6
93.05757	2.4
93.07014	5.0
94.06554	17.2
95.01292	1.5
95.04935	4.0
95.08603	15.5
96.08099	2.1
96.08924	2.4
97.02869	3.1
97.06525	3.0
100.11263	2.6
103.03911	3.0
104.04998	1.7
105.07021	6.7
106.06530	1.9
107.08590	3.4
108.08082	4.6
109.02875	1.2
109.06525	1.2
109.10130	6.1
111.04448	1.4
112.07565	6.4
116.04948	3.3
116.10663	1.5
118.06502	3.9
119.08548	3.4
120.04449	9.2
120.08087	3.2
121.05208	4.3
121.06469	1.9
121.10091	2.6
122.06007	60.5
123.04411	2.8
123.11696	2.1
124.07558	4.1
127.03883	3.3
131.04913	2.5
131.07101	1.4
132.04395	1.7
133.06400	1.8
133.08604	2.7
133.10132	3.5
134.06000	9.9
135.04305	1.4
135.11719	1.3
136.06140	1.4
136.07539	4.6
137.05957	10.6
137.13164	1.8
138.05455	1.5
138.09029	1.4
140.07045	96.5
144.04427	6.7
145.06435	1.4
145.10066	2.7
146.05992	34.9
147.04362	2.5
147.06725	3.8
148.07539	10.5
149.05876	1.7
150.05464	2.8
151.07454	1.6
152.07062	2.9
157.15266	1.4
160.07492	1.8
161.09579	2.2
162.05464	10.4
162.07587	5.8
162.08980	1.2
164.07005	6.0
166.08597	2.9
167.07007	11.2
169.15849	3.2
172.03914	48.6
172.07571	1.4
173.04642	7.2
174.05478	51.4
175.06166	3.1
176.07033	62.8
177.05530	1.6
178.04973	5.2
178.08594	2.9
181.04956	2.0
182.15303	1.9
187.08704	1.5
188.07031	3.3
190.04927	19.9
191.05708	11.4
192.06519	14.7
193.07170	1.9
194.08072	3.7
196.13239	1.7
199.12202	2.7
204.06529	77.8
206.08073	19.2
207.06624	1.8
208.09666	10.0
210.07530	1.7
210.09274	1.4
210.14818	2.4
211.08545	2.0
212.09451	2.1
212.16388	1.4
216.10159	12.0
218.08015	3.3
220.05919	4.1
221.10596	1.6
222.07605	1.7
222.11314	1.3
223.12247	2.0
225.10271	9.0
226.08728	1.8
227.11775	16.0
232.05949	1.5
232.09554	1.8
233.10677	2.1
234.07413	1.7
234.11461	2.9
235.12198	2.1
236.09554	2.2
237.10179	7.3
238.10954	4.0
239.11711	5.0
241.09705	1.9
241.13240	1.5
243.11223	9.5
244.09637	3.2
247.12430	1.7
248.09227	2.8
249.10234	9.6
250.07127	2.2
250.10995	5.5
251.08098	4.1
251.11806	10.4
252.12346	1.7
253.09756	6.1
261.10217	2.9
261.12375	29.6
262.10956	4.6
263.08405	2.9
263.11758	14.6
264.08847	4.1
264.12646	8.7
265.09631	13.5
265.13330	4.6
266.10403	9.0
267.11218	8.9
269.08929	1.3
269.09592	1.5
269.12793	18.4
270.10361	1.5
271.10696	5.2
271.14282	1.6
272.05392	2.4
273.10175	2.8
274.10745	1.5
275.11646	7.5
276.08615	2.8
276.12476	2.3
277.09717	22.8
277.13043	2.6
278.10364	7.6
279.11148	28.6
279.13486	14.0
280.08115	3.8
280.11850	6.0
281.12750	2.9
283.10815	8.3
284.11359	5.2
285.12378	17.5
286.12717	1.7
287.13898	44.3
288.08936	1.3
288.14441	2.5
289.09711	6.1
290.10327	2.4
291.07590	3.9
291.11212	16.7
292.08649	1.6
292.11880	4.8
293.09543	2.7
293.12793	14.5
294.09851	3.5
294.13409	2.3
295.10822	8.0
295.13770	1.6
296.11569	7.6
297.12238	21.4
297.15271	1.9
298.12943	3.3
300.12253	2.8
301.09674	3.8
302.10486	2.2
303.11127	10.7
304.08524	1.6
304.12000	2.2
305.09134	14.1
305.12762	4.4
306.09955	13.4
307.10712	29.5
308.11292	2.6
309.12308	9.6
310.12961	3.1
311.13831	3.2
313.11765	46.4
315.04507	1.7
315.13580	2.2
316.14487	1.7
317.09125	4.0
318.09940	3.9
319.10648	17.7
320.07614	2.3
320.11310	4.0
321.08661	2.8
321.12259	32.8
322.09152	13.3
322.13022	15.8
323.10168	7.7
323.13693	2.6
324.07355	2.8
324.10941	9.9
324.14310	2.2
325.11517	4.7
330.15887	2.7
331.13202	17.7
331.16653	1.7
333.08524	2.7
333.12253	3.2
335.10226	6.0
336.10931	1.8
337.11792	17.5
338.08572	12.4
338.12567	5.2
339.13397	14.3
340.10211	14.4
340.13919	2.0
344.17560	2.3
345.08423	3.0
345.14517	35.5
347.10138	7.6
347.16058	2.7
348.10876	2.7
349.11810	8.0
351.09500	3.3
351.13672	2.0
352.10352	2.7
354.15857	1.9
356.13882	2.8
357.14624	2.7
358.15396	4.9
359.10162	4.8
361.11874	1.7
363.09744	3.9
363.15460	2.5
365.11188	20.2
366.11996	13.7
367.12842	6.1
369.14630	3.7
370.15451	2.9
371.15875	4.1
372.16989	5.7
375.09592	5.1
377.11230	10.1
381.14383	1.9
382.15823	1.8
384.13251	9.6
385.13730	2.0
386.14667	6.4
387.15662	2.2
388.16379	1.9
389.11227	3.6
390.18042	2.8
391.08987	5.4
392.19839	2.1
393.10608	6.2
394.11145	2.1
395.12195	2.1
396.12994	4.8
397.14038	3.2
398.14780	5.4
399.15717	8.8
400.16495	39.0
401.17181	8.1
405.10583	5.0
407.12115	3.6
409.13824	1.5
413.16696	1.7
414.17963	4.9
416.19800	3.7
417.10638	1.7
417.16205	3.8
418.17471	12.7
419.16681	1.8
420.08945	1.7
424.12122	2.5
425.13431	1.7
430.17542	2.2
431.18115	2.7
432.19205	2.1
433.10175	5.0
435.11676	5.9
436.12500	5.5
437.13477	6.1
440.15854	4.8
442.17560	6.7
445.15979	16.6
446.16943	1.6
449.13229	3.7
450.10181	1.5
451.10806	10.4
452.11984	4.1
453.12619	14.2
458.17093	16.6
459.17685	9.7
460.18616	31.6
463.16992	22.7
464.17889	2.7
465.12799	3.5
467.14398	9.9
475.11523	2.2
477.12546	3.6
478.19357	2.6
483.13837	6.6
489.15033	3.4
490.19470	2.8
491.20172	1.8
492.20987	4.9
493.12042	7.2
495.13864	9.3
496.14688	17.3
497.15250	2.0
511.13483	22.5
512.14008	4.7
513.07294	1.8
513.14899	32.6
527.16138	3.6
528.17004	4.7
534.18274	2.4
538.21759	3.8
543.16034	36.9
544.16797	3.2
545.17462	7.0
555.25897	2.6
559.15521	3.1
566.20911	2.2
581.23669	2.9
590.21460	2.1
599.24908	100.0
600.25458	9.0
601.26453	28.4
608.22137	2.2
610.20203	2.1
631.27484	26.7
632.27783	4.3
633.28693	5.8
634.20245	14.0
635.21234	2.8
636.20953	3.9
652.21234	69.5
653.21716	6.4
654.22217	1.8
666.22791	28.5
667.23199	2.6
684.23804	21.8
731.28735	2.5
757.26196	5.1
775.28015	71.1
776.28296	4.7
806.60205	2.7
807.30731	13.7
807.60791	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	806.5398
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	5.6
57.07064	1.3
57.45323	0.7
58.10703	0.8
59.84407	0.7
59.97067	0.7
65.03922	1.3
67.05495	31.8
68.63834	0.8
69.06728	1.3
69.07060	16.2
69.81672	4.0
69.82076	1.1
71.04983	1.7
79.05479	23.9
81.03400	3.1
81.07043	44.2
83.04955	3.5
83.08617	4.5
84.08131	0.9
85.06527	1.3
91.05463	25.1
93.07030	27.3
95.01306	2.4
95.04954	5.4
95.08590	28.3
97.06506	7.7
97.10155	1.7
98.21417	1.1
99.30721	0.9
103.05468	1.1
105.07011	34.2
107.04944	8.0
107.08578	13.2
109.06498	5.8
109.10116	7.4
111.08061	1.7
117.07018	6.6
119.08558	18.5
121.06470	1.0
121.10101	7.8
123.08009	1.6
123.11701	1.3
125.09586	1.7
129.07008	1.6
130.08621	1.4
131.08534	11.8
133.10107	18.1
135.08012	1.2
135.11684	5.5
137.09592	1.1
143.08511	1.1
145.10117	8.8
146.08092	1.3
147.11674	9.0
149.09569	1.3
149.13228	3.3
151.11159	1.2
157.10097	1.6
159.11658	4.1
161.13210	3.0
162.62694	0.9
163.11143	1.6
163.14784	1.6
165.09062	1.0
169.10172	1.1
173.13210	2.0
177.12645	1.6
179.14281	3.3
184.07236	1.4
219.17404	4.0
257.19031	1.1
275.20035	25.9
276.06653	0.8
335.25729	54.9
349.23654	14.8
434.62872	0.8
495.95264	1.1
567.81030	0.9
609.45026	100.0
610.45050	3.3
691.18842	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.5814
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.4
57.07064	52.4
59.04987	15.8
63.12492	0.4
67.05489	1.0
69.03407	0.5
69.07056	2.1
70.44756	1.4
71.04964	0.6
71.08617	49.1
73.02899	2.1
73.06541	6.4
73.86253	0.4
79.05481	0.4
81.07037	0.7
83.08588	1.4
84.08137	0.4
85.06573	0.5
85.10165	44.8
87.04450	20.6
89.06011	100.0
90.06336	0.4
91.05420	0.5
91.07559	1.1
97.10152	1.3
99.11697	3.4
100.07600	0.7
101.09698	0.4
103.07567	6.4
105.06998	0.8
107.07059	4.8
107.08560	0.4
113.05988	1.1
117.09104	6.7
119.08575	0.5
121.08633	0.5
127.14802	1.0
129.09056	0.7
130.08603	5.8
131.07019	6.9
133.08574	80.4
135.10143	0.8
141.16331	4.5
151.09607	0.9
151.27713	0.4
155.17902	0.5
157.08583	0.7
158.81548	0.3
159.10153	0.4
161.11737	2.1
170.64232	0.4
173.11726	0.4
175.09637	7.0
175.13171	0.4
177.11188	36.4
179.12733	0.7
184.07288	0.6
185.18938	1.3
193.10704	0.4
195.12302	0.5
199.20544	4.9
201.11090	0.5
219.12263	2.7
221.13791	6.8
223.15259	0.8
237.13235	0.6
239.14795	3.1
243.23128	5.8
247.54514	0.4
263.14783	0.6
265.16348	1.7
267.17963	0.6
283.17444	4.3
286.28305	0.4
287.25769	0.5
309.18979	1.4
327.19937	2.1
342.58984	0.4
353.21457	1.5
371.22577	1.0
397.23950	0.9
397.80243	0.4
415.25381	0.6
441.26706	0.7
459.27878	0.5
485.29135	0.6
503.30362	0.9
529.31427	0.6
547.32764	1.2
573.34772	0.8
591.35773	8.6
631.38141	1.6
789.55188	2.0
806.44067	0.6
806.58124	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	806.4727
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	5.1
57.06819	1.4
57.07069	19.5
59.04991	10.9
61.02925	2.2
67.05492	9.4
68.99780	2.7
69.03416	15.8
69.07056	71.6
70.06559	5.2
71.04967	4.7
71.08611	3.5
71.55251	1.2
72.04488	1.6
73.02905	5.6
73.06522	1.7
77.62222	1.1
77.66930	1.1
79.05466	2.7
81.03406	12.9
81.07045	15.2
83.04958	5.2
83.08604	100.0
84.04505	6.0
84.08143	1.3
85.02892	26.2
85.06512	2.2
86.09665	1.6
87.00802	6.4
87.04453	10.7
89.06017	93.2
91.05469	6.7
91.05930	1.0
93.07019	8.2
95.04940	3.2
95.08591	13.2
97.02874	11.1
97.10152	24.5
99.04421	4.4
99.08054	1.9
103.03929	1.7
103.07549	3.5
105.01851	4.9
105.07016	4.0
107.07066	3.7
107.08554	4.0
109.02866	12.3
109.06499	2.4
109.10138	7.3
111.04436	3.6
111.11691	1.5
113.05984	1.3
113.09613	1.4
115.03927	1.4
117.07020	2.3
117.09103	3.3
119.08562	6.0
120.08072	1.2
121.06502	2.1
121.10124	5.3
123.11690	4.8
125.05968	1.2
125.13228	8.3
126.05537	6.4
127.03894	12.9
130.08578	2.3
131.04903	1.8
131.07005	5.6
131.08539	1.8
131.95810	1.2
133.08580	76.5
133.10155	3.1
136.07527	1.5
137.05962	1.4
138.05493	3.8
139.14790	2.5
145.04947	2.5
145.10159	1.8
147.08107	1.6
147.11664	1.2
149.09538	2.1
153.05420	1.8
157.10068	1.2
157.15842	2.3
159.02866	3.2
161.09569	1.5
162.07605	11.0
165.09099	2.0
165.16376	1.6
167.07056	3.2
167.10527	1.1
168.06386	1.5
169.10106	1.3
175.09619	4.1
175.11005	1.1
177.05389	1.3
177.11200	35.8
183.17392	1.4
187.11176	1.3
195.12276	2.4
197.18968	3.8
201.18474	9.0
204.08626	8.7
209.99680	1.1
219.12218	1.4
221.13828	11.8
223.15051	1.3
231.05000	3.0
239.14844	4.8
241.21574	7.3
259.22699	2.1
265.16354	2.4
283.17474	18.5
289.09198	1.7
309.19022	4.8
323.20612	2.7
327.20068	46.9
336.12769	3.5
341.21609	9.2
367.23221	10.2
381.24716	1.9
385.24243	6.6
399.25348	1.7
523.38342	56.0
541.39404	18.0
640.02496	1.4
806.47174	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4512
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05015	1.3
56.05269	0.1
67.04508	0.1
67.05488	0.3
69.07056	0.1
69.90979	0.2
69.91393	0.1
81.03410	0.1
81.07030	0.3
84.08124	51.5
85.02886	0.1
85.07944	0.1
85.08460	0.6
91.05450	0.1
93.07027	0.1
95.08589	0.2
107.08541	0.1
109.10146	0.1
112.07583	0.1
116.23904	0.1
121.10099	0.1
130.08607	100.0
130.15860	0.3
131.08948	1.3
145.12314	0.1
184.07278	0.1
204.08669	0.1
261.22040	0.3
286.95468	0.1
353.26752	0.2
421.25635	0.1
559.36682	0.1
563.58203	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	806.4513
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05020	1.2
56.96558	0.1
67.05498	0.4
79.05465	0.1
79.08778	0.1
81.07067	0.2
83.08628	0.1
84.08128	54.7
85.02884	0.1
85.08459	0.4
91.05463	0.1
93.07034	0.2
95.08599	0.3
95.62617	0.1
95.87400	0.1
97.02902	0.1
98.20792	0.2
105.07064	0.2
107.08590	0.1
112.07580	0.1
119.08538	0.1
121.10159	0.1
128.59123	0.1
130.08615	100.0
131.08990	0.8
133.10167	0.1
147.11739	0.1
149.02293	0.4
150.02658	0.1
166.89827	0.1
175.62108	0.1
193.04951	0.4
194.05222	0.2
210.19597	0.1
231.76405	0.1
261.22064	0.4
266.38928	0.1
271.28845	0.1
317.02640	0.1
353.26611	0.3
447.30911	0.1
529.17352	0.1
534.74487	0.1
629.63049	0.1
662.99261	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	804.6027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.3
57.07066	100.0
58.07397	0.9
59.04992	28.6
60.77949	0.5
63.30762	0.5
67.05498	7.0
69.03411	0.6
69.07059	3.5
69.28431	1.1
69.28832	4.4
71.08620	66.4
72.08990	0.7
73.02924	0.6
73.06564	1.5
79.05477	4.7
81.07037	7.6
83.08604	3.0
84.08134	0.8
85.06542	1.9
85.10167	57.5
86.09708	1.0
86.10542	0.6
87.04456	8.7
89.06014	40.5
91.05473	3.0
93.07023	4.5
94.34430	0.5
95.04945	4.3
95.08574	3.7
97.10172	2.7
99.08121	0.7
99.11717	12.6
101.06010	1.1
101.09641	3.2
105.07024	2.5
107.04957	0.9
107.07077	1.4
107.08559	2.8
109.06498	6.2
109.10156	0.9
111.11703	1.1
113.05991	3.2
113.12578	0.7
113.13250	4.1
117.06990	1.2
117.09100	8.8
118.11202	0.5
119.08593	1.6
121.10146	1.6
123.11687	0.9
125.00101	0.6
125.76799	0.5
129.07021	0.7
130.08594	2.5
131.07021	3.7
131.08583	2.1
131.49608	0.5
133.08578	35.4
135.08012	4.2
135.10185	0.7
135.11705	1.1
143.08566	0.6
145.10144	1.5
147.08102	1.4
147.10168	0.6
148.02281	0.5
155.17914	9.7
158.11780	0.9
159.11719	1.0
161.09662	1.3
163.11235	0.6
175.09674	2.7
175.11012	0.6
177.11189	18.1
177.12643	1.0
184.07324	3.6
185.13196	0.6
213.22084	20.5
217.15915	0.8
219.12289	1.1
221.13762	2.8
239.14957	1.2
254.24763	2.5
271.26263	20.3
273.18439	2.9
281.19308	0.6
283.17612	2.1
291.19501	10.1
327.20233	1.4
335.25720	8.1
347.22351	1.6
356.31866	0.6
365.23337	2.3
371.22784	1.2
415.25436	1.4
459.27972	10.4
498.41766	0.5
499.31287	1.2
517.31873	2.6
575.36401	0.8
607.43915	2.2
625.44470	10.3
804.60669	7.4
805.58917	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	20.9
57.07067	75.5
58.07399	6.8
59.04995	25.3
60.05318	2.8
61.47960	1.7
63.26035	1.8
65.03927	5.1
67.05495	73.0
69.03422	2.4
69.07061	14.3
71.04971	3.6
71.08620	46.2
71.53348	2.1
72.08958	4.8
73.02916	1.8
79.05061	3.5
79.05485	45.1
81.03403	3.2
81.07042	60.4
83.04980	4.7
83.08615	8.1
84.08155	2.9
84.82743	2.0
85.06527	8.9
85.10165	43.0
86.09715	2.9
86.10515	5.1
87.04457	6.2
89.06015	27.6
90.06358	3.8
91.05465	34.0
93.07030	39.4
95.04955	50.8
95.08590	31.6
97.06522	4.4
97.10159	6.1
99.11713	8.6
101.09621	3.4
105.07027	17.6
107.04948	11.0
107.08578	25.3
109.02950	1.7
109.05789	3.9
109.06505	61.8
109.07257	3.0
109.10108	13.4
111.08069	4.2
113.05991	23.9
113.13279	2.8
116.68645	2.1
117.06998	11.9
117.09081	9.1
119.08562	15.8
121.06506	7.1
121.10127	15.8
123.08076	3.8
123.11634	2.7
125.09605	2.4
128.06187	3.0
129.06995	8.6
130.08603	3.6
131.07004	3.0
131.08537	17.0
133.06479	2.7
133.08591	23.5
133.10107	10.2
134.08943	4.0
135.08040	39.1
135.11673	12.3
137.09669	2.1
143.08548	5.7
145.10103	11.4
147.08017	7.6
147.11668	5.6
149.09592	3.9
149.13263	3.7
155.17941	4.6
157.10109	5.5
159.08119	2.1
159.11685	6.4
161.09628	8.1
161.13219	2.9
163.11153	3.3
171.11618	5.8
173.13258	3.5
177.11214	11.7
177.12674	3.8
184.07339	4.7
213.22064	11.2
214.22423	2.6
217.15857	7.4
271.26288	8.0
272.26605	4.1
273.18475	32.3
291.19504	100.0
292.19827	2.9
309.20670	2.7
315.85681	2.0
317.21057	2.0
335.25742	87.2
336.25970	2.6
347.22055	10.2
365.23178	17.6
416.04034	2.1
459.27625	2.8
460.28149	2.5
567.40204	2.7
607.43323	17.3
612.55676	2.3
625.44470	86.4
626.44525	8.7
805.52893	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	804.6026
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.2
57.07066	97.1
58.07391	0.9
59.04990	45.2
67.05487	1.7
69.07053	2.7
71.08619	99.7
71.54121	1.0
72.08946	0.6
73.02905	0.9
73.06557	0.6
79.05479	1.2
81.07047	2.3
83.08596	3.9
85.10168	100.0
86.10510	0.9
87.04456	8.8
87.08095	0.8
89.06016	42.1
93.07060	0.7
95.08566	1.6
97.10151	2.1
99.08083	1.1
99.11716	12.7
100.07571	0.8
101.05991	1.3
101.09648	4.7
103.07555	2.2
107.07057	1.5
115.07525	1.5
117.09116	17.6
119.08544	1.2
128.36104	0.6
130.08612	3.2
131.06987	3.0
131.08569	0.6
133.08574	34.2
141.16368	13.2
145.10139	0.7
147.10152	0.9
158.11766	1.3
161.11737	1.0
175.09595	1.3
177.11192	15.2
181.19492	0.7
184.07306	1.8
189.11194	0.8
192.64577	0.7
199.20538	32.4
213.21904	0.7
219.12213	1.1
221.13799	2.2
239.14827	1.2
240.23145	4.2
257.24719	38.6
258.25064	1.9
275.25961	0.8
283.17331	1.9
291.19388	0.8
299.93491	0.7
315.28876	3.1
327.19885	1.3
365.22791	0.6
371.22394	1.1
390.50946	0.7
415.25327	11.4
421.94791	0.7
455.28775	1.5
473.29132	2.1
625.18665	0.8
625.44183	0.7
722.62354	0.9
804.60602	8.4
823.46204	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4361
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	1.1
59.81535	0.6
60.23673	0.6
61.02916	3.5
65.03922	1.1
66.34572	0.5
67.05495	11.7
69.03407	0.9
69.07066	4.1
69.18274	1.3
69.18672	5.4
70.06564	0.9
71.04980	1.1
73.02902	1.2
79.05481	10.1
81.03389	1.0
81.06584	0.8
81.07043	13.2
83.04961	1.2
83.08595	2.2
84.08139	3.4
85.02887	4.4
85.06522	0.8
91.03919	2.6
91.04895	0.7
91.05466	13.3
93.07026	11.6
95.04943	2.7
95.08593	9.6
97.02889	2.9
97.06504	1.6
97.10122	1.0
105.07012	13.5
105.39751	0.5
107.04954	0.7
107.08588	7.7
109.06501	2.3
109.10149	3.5
115.05432	1.1
117.06998	8.5
119.07779	0.8
119.08556	9.3
121.06475	1.8
121.10123	4.9
123.08024	1.7
123.11709	0.5
125.09623	0.7
129.06976	5.1
130.08624	6.3
131.08551	13.7
133.06474	0.5
133.10106	7.1
135.08000	1.6
135.11668	2.2
137.09621	0.7
141.06952	1.8
142.07825	0.7
143.08546	5.4
145.04921	1.3
145.06476	0.7
145.10106	7.7
146.10477	0.5
147.08052	1.5
147.11693	2.3
149.09595	1.7
149.13167	1.0
155.08511	3.0
157.10066	4.0
159.08089	0.8
159.11655	3.4
161.09563	1.2
161.13235	1.3
163.06013	1.0
163.11143	0.8
167.08524	1.5
169.10095	2.9
171.11609	3.3
173.13249	2.2
175.11223	0.9
177.12654	0.6
181.10126	2.4
183.11676	2.0
185.13194	2.8
187.11086	0.6
187.14824	1.5
189.12640	0.6
195.11670	1.9
197.13234	2.1
199.14844	1.2
201.12874	0.5
201.16289	0.9
207.11644	0.7
209.13232	1.7
211.14833	1.5
213.16391	0.8
215.14198	0.6
219.13675	0.6
223.14835	1.0
225.16478	0.6
227.14310	1.2
241.15834	1.1
247.16902	1.1
257.19009	0.6
259.16971	1.5
261.18469	0.7
269.19156	0.6
273.18448	0.9
325.25241	1.6
335.23672	1.7
343.26398	2.6
353.24734	6.2
371.25729	6.9
389.26700	7.2
427.28494	1.3
429.16809	0.7
445.29419	100.0
446.29877	7.9
463.30463	51.4
463.40015	0.7
464.30853	2.5
607.35297	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.5158
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.7
57.07083	0.5
61.02916	5.6
67.05490	5.9
69.03419	4.0
69.07056	1.4
69.84602	2.1
71.01331	0.6
71.04980	0.5
73.02900	4.8
79.05479	4.8
81.03385	1.9
81.07043	6.5
83.08614	0.6
85.02887	6.3
86.32600	0.4
87.04457	0.6
87.69878	0.4
91.03944	3.7
91.05466	2.3
92.24763	0.4
93.07024	5.0
95.04936	0.6
95.08595	4.4
97.02872	5.6
97.06497	0.4
98.20881	0.5
99.04461	0.7
101.02346	1.9
103.03927	0.5
105.07029	1.9
107.08566	2.7
109.02877	1.4
109.10194	1.9
109.51630	0.4
115.03944	0.6
119.08581	1.2
121.10122	2.5
123.11686	0.5
127.03915	1.7
131.08583	0.8
133.10132	0.9
135.11703	1.3
145.04929	0.4
145.10120	0.6
161.13155	0.5
167.21432	0.4
185.04245	0.5
201.16187	0.4
243.08368	2.0
335.25977	0.5
519.29193	11.2
680.89697	0.4
797.51569	100.0
798.51862	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	799.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03413	1.5
59.04988	1.6
61.80680	0.8
67.05474	1.4
68.05024	1.6
69.03409	1.8
70.06589	5.6
70.64447	3.5
71.04989	1.7
72.72462	1.1
73.02889	1.8
79.05476	1.9
80.05025	1.0
81.03375	1.5
81.05789	1.0
81.07040	2.9
84.04502	2.6
84.08116	2.5
85.02883	5.6
86.09683	2.1
87.04425	5.6
89.06013	22.7
90.06356	1.5
91.05465	2.1
93.07020	1.9
94.06569	2.2
95.04974	1.4
95.08563	2.1
96.04462	1.5
96.08125	2.5
97.02876	1.6
105.07015	3.2
106.06514	2.6
108.08058	2.0
110.06049	1.0
116.04894	1.0
118.06492	1.1
119.08558	1.9
120.04402	1.3
120.08072	3.5
121.06438	1.2
122.06009	4.8
123.26732	0.9
124.07561	100.0
127.03910	1.5
131.07024	1.6
133.08566	14.4
134.05994	10.9
134.08884	2.6
136.07556	4.8
137.05945	2.1
138.05458	1.3
140.07060	1.5
144.04453	2.4
146.05960	15.9
147.04436	1.3
147.06714	3.5
147.07924	1.2
148.07539	19.8
150.05458	1.4
152.06955	2.0
160.07504	1.7
162.05496	3.5
162.07617	3.5
164.06989	6.0
166.08539	6.0
167.07011	1.5
172.03899	22.2
172.07579	1.2
173.04657	5.1
174.05463	22.6
175.06212	1.7
176.07031	48.5
177.05453	2.3
177.11203	5.1
178.04935	2.1
178.08611	3.3
178.11537	1.4
180.06590	1.7
186.09097	1.2
187.11061	1.4
188.07065	3.2
190.04936	4.8
190.08615	1.8
191.05704	9.6
192.06544	6.3
193.07332	3.2
194.08061	12.3
198.09056	1.1
202.08711	1.5
204.06516	40.4
204.08429	2.1
205.06955	1.5
206.08099	10.2
208.09576	10.2
210.07527	2.4
211.12297	1.6
212.09157	2.6
215.11765	1.3
218.08118	3.3
220.09741	1.3
222.07584	4.0
225.10101	2.6
230.08014	1.0
232.06093	1.3
232.09654	2.4
234.07570	2.4
234.11383	1.1
235.08728	1.2
236.09166	3.1
237.10109	2.8
238.10922	1.8
239.11716	4.9
243.09058	1.1
243.11089	5.0
244.09576	1.5
245.12877	1.7
246.07549	1.0
248.09271	2.1
249.10153	3.7
250.10814	4.7
251.08354	1.5
251.11769	8.1
252.08748	2.0
253.09651	2.1
253.13248	1.3
254.10301	4.2
260.09082	1.5
261.10028	1.8
262.07007	2.2
262.10938	2.9
263.11734	7.1
263.14133	1.6
264.08908	1.8
265.09674	10.1
265.13254	5.7
266.10315	7.4
267.11157	10.4
268.11703	1.6
269.12790	15.9
271.14310	14.1
275.11835	2.9
276.08719	2.0
277.09644	4.7
277.13232	1.4
278.10278	11.0
279.11203	29.0
280.08728	1.5
280.11923	7.9
281.12753	5.7
283.10788	2.0
285.12323	1.5
291.11240	7.6
292.08398	1.1
292.11899	3.0
293.09256	2.5
293.12823	7.4
294.09805	3.9
295.10651	7.9
295.14041	1.7
296.11282	27.5
297.12256	30.8
298.12897	4.9
299.13721	4.1
303.10446	1.3
303.13824	6.1
305.09235	3.3
305.12646	2.7
306.09937	4.5
306.13290	1.1
307.10748	10.2
308.11371	4.1
309.12256	17.7
310.12985	3.0
311.10577	1.5
311.13855	2.9
312.10568	1.5
313.11856	1.4
314.12399	11.2
315.13416	9.7
316.13956	1.4
317.12726	1.8
319.10660	13.2
319.14178	2.0
320.11432	2.4
321.12201	11.3
322.09689	1.2
322.13065	5.9
323.10150	3.5
323.13797	4.3
324.11014	6.8
325.11792	6.0
327.13327	1.8
329.14972	6.7
331.10638	2.4
331.16446	4.1
333.12268	2.3
335.10019	2.0
335.13660	1.3
336.10803	2.8
337.11703	18.6
338.12537	5.1
339.13306	15.8
340.14108	3.3
341.14923	1.7
345.12393	3.6
347.10172	1.6
348.10730	1.3
349.11768	3.6
351.13419	3.0
353.10995	2.1
353.14865	2.1
356.13327	1.3
357.14624	1.5
361.11816	3.4
363.13376	2.6
365.11206	2.6
366.11990	4.2
367.12778	7.1
368.13394	2.3
369.14310	7.5
371.15646	3.1
372.13141	2.0
373.14230	1.8
374.15247	1.6
375.13287	3.4
377.11197	3.1
378.11908	2.2
379.12650	5.4
382.15216	1.7
383.12357	4.5
385.13907	1.5
387.15970	1.4
388.16245	2.0
389.10962	2.4
391.12689	3.8
393.14398	1.7
395.12329	3.8
396.13025	1.6
397.13837	4.3
398.14572	1.6
400.16425	2.6
403.12686	1.4
405.14307	3.7
407.12195	3.3
408.13098	2.0
409.13889	7.3
410.14645	1.4
411.15509	1.7
416.15939	10.7
419.12482	3.9
421.13770	2.9
423.15295	2.5
425.13095	2.4
427.14963	4.1
428.15936	1.4
429.16626	1.2
433.13968	4.0
439.14734	1.9
448.18369	1.6
449.13330	4.8
450.14197	1.7
451.14694	5.8
458.17056	2.8
462.20001	2.8
464.21829	2.5
467.14404	7.5
468.15225	8.4
469.16037	7.8
470.16763	9.7
476.17972	5.5
485.15161	6.8
486.16241	2.1
487.17020	10.8
488.17404	2.6
490.19153	1.1
492.21198	3.7
494.23325	1.7
496.24872	1.2
500.18033	1.7
505.18042	1.9
508.20477	3.8
518.22656	1.8
519.19470	1.9
520.20410	2.3
522.22327	1.8
544.20734	3.7
548.24176	2.3
552.23303	2.3
556.20770	1.4
558.22174	3.6
566.24896	10.8
567.25781	1.5
574.21692	7.4
576.23267	5.8
583.25299	2.8
584.26068	2.6
592.22766	60.4
593.23309	4.2
594.24506	17.9
601.26202	7.2
606.24133	3.4
608.25610	3.1
610.14612	1.9
610.23822	31.0
611.23822	2.2
612.25342	27.8
613.25873	1.9
619.27411	2.9
624.25421	55.2
625.25952	8.8
626.27045	10.4
627.27588	1.2
628.24524	2.9
633.28876	2.3
642.26440	9.0
644.27832	13.3
731.28156	2.9
749.29620	5.4
767.31195	15.0
799.33612	2.8
799.48785	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4667
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	1.6
57.07056	2.4
60.70736	0.9
61.02917	1.3
67.05505	8.5
69.03405	7.8
69.07050	11.1
70.06563	1.0
71.04949	2.1
73.02924	1.1
79.05474	5.9
81.03398	7.4
81.07043	28.7
83.04933	1.1
83.08591	5.0
83.17048	1.1
85.02884	34.6
91.05450	7.4
93.07029	12.4
94.59148	0.9
95.04933	1.5
95.08591	35.4
97.02866	13.0
97.10139	3.9
99.04438	21.7
99.08054	3.0
103.03915	43.7
105.07014	16.8
107.08575	33.5
109.02850	10.9
109.10136	28.3
109.32330	1.2
110.61843	0.9
111.08061	1.7
111.11678	1.1
119.08556	18.7
121.10120	22.2
123.08006	0.9
123.11682	24.6
125.09638	7.2
125.13266	1.0
127.03893	48.2
131.08531	4.1
133.10109	21.4
135.11664	15.7
137.09540	2.3
137.13228	13.3
139.11163	5.5
143.08453	1.1
143.10640	1.9
145.04926	24.2
145.10086	7.8
147.11661	17.4
149.13245	16.5
151.11151	34.5
151.14790	2.9
153.12714	1.4
159.11671	5.8
161.13214	11.6
163.05988	28.3
163.14804	12.6
165.12723	14.4
165.16345	1.9
173.13229	5.2
175.14786	10.6
177.16360	8.5
179.14278	3.4
185.13226	1.2
187.05983	3.3
187.14783	13.8
189.16341	30.2
191.17877	4.5
201.16351	6.1
203.16046	1.1
203.17915	18.8
205.07042	1.7
207.17378	3.0
215.17912	7.3
217.19420	2.8
229.19464	7.2
243.21007	3.8
257.22672	1.2
259.24170	34.8
271.08105	5.2
283.24142	1.5
285.25702	89.7
286.26126	2.3
287.27261	1.1
289.09073	4.3
303.26761	100.0
304.27069	2.8
307.10187	14.6
313.25226	1.6
331.26242	37.9
332.26627	1.1
349.27444	1.2
355.65729	1.0
391.33621	4.6
409.34409	5.4
421.18259	1.1
427.35623	24.0
437.33771	2.7
445.36633	9.3
455.34909	2.0
473.36154	2.2
555.32922	2.1
573.34009	2.9
591.34918	1.7
609.35895	3.7
619.34412	1.7
751.46094	1.7
797.41998	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	796.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04984	1.8
67.05464	0.5
69.03368	1.5
69.07007	0.9
70.06535	1.5
70.12559	1.2
70.12976	0.6
72.04478	0.5
72.08147	1.6
73.02863	1.0
73.06496	0.5
81.03352	1.0
81.07003	0.6
81.17583	0.3
82.06535	0.4
84.04426	0.6
84.08088	1.2
85.02834	1.2
86.09621	0.4
87.00781	0.5
87.04408	1.5
89.06015	11.3
91.05453	0.6
93.06982	0.9
94.06512	0.9
95.04916	0.6
96.04442	0.7
97.02834	0.9
100.07542	1.3
103.07519	0.5
105.01760	0.3
105.06965	0.8
107.07004	0.5
107.08511	0.4
108.08021	0.6
109.02808	0.6
110.05963	0.4
111.04393	0.4
112.07565	0.3
119.08469	0.4
121.10061	0.4
121.85611	0.3
122.06013	2.9
126.05397	0.4
127.03824	0.7
130.08630	0.7
132.08035	0.3
133.07683	0.4
133.08586	7.5
134.05969	0.5
135.07887	0.4
136.07542	5.5
137.05916	0.6
138.05426	1.4
138.09004	0.3
140.07045	6.3
144.06503	0.6
146.05963	1.7
146.09543	0.5
147.04263	0.3
147.07988	0.5
148.07480	0.9
152.06995	0.6
154.04947	0.4
159.02776	0.5
162.05415	0.5
162.07536	5.0
162.09019	1.1
163.07919	0.6
164.07036	10.2
166.08609	4.9
167.06943	0.9
172.03845	1.4
174.05403	1.3
176.07057	2.1
177.05370	0.6
177.11201	3.3
190.04904	0.5
192.06509	0.4
204.06548	3.3
206.08098	1.8
208.09641	1.0
209.10802	0.4
210.11459	0.9
211.12233	0.4
218.07948	0.5
221.13722	1.0
222.11400	0.5
223.12207	0.6
224.12920	0.6
225.10027	0.6
227.11795	0.7
235.08563	0.5
235.12360	0.6
236.12993	0.4
237.10141	2.4
237.13768	1.2
238.11075	0.8
239.11700	2.5
243.11275	0.7
248.09389	1.1
249.10156	2.2
250.10974	2.1
251.11739	3.8
252.12474	0.6
253.09731	0.4
253.13225	0.8
255.11156	0.6
261.12457	0.4
263.11749	11.6
264.12448	3.2
265.09653	4.1
265.13263	13.1
266.10187	0.4
266.13934	1.2
267.11176	1.2
269.12811	2.1
277.09561	0.8
277.13217	0.4
278.10440	1.2
279.11230	17.3
280.11703	1.2
281.12869	1.2
282.13498	1.2
283.10858	0.4
283.14246	1.1
283.17258	0.8
284.11322	0.6
285.12289	1.1
287.13690	1.0
291.11203	4.7
292.12012	0.9
293.12775	3.5
294.13660	1.0
295.10617	1.6
295.14224	0.5
296.11560	1.2
297.12241	10.0
298.13004	1.4
303.04797	0.4
305.15125	0.3
309.12283	38.0
310.12997	11.0
311.10297	0.7
311.13803	8.6
312.14651	1.3
313.11661	1.0
313.15216	0.4
319.10666	3.4
320.11246	0.4
321.12265	1.1
323.10330	0.5
324.30106	2.0
325.11734	0.8
325.15341	0.4
327.20065	0.6
331.12900	0.7
337.11765	33.8
338.12546	16.0
339.13297	7.6
342.15369	0.4
345.14322	0.9
351.13205	0.6
355.12848	0.6
357.14325	0.4
369.14374	47.2
370.15088	10.6
371.15952	7.4
371.22775	0.4
390.18176	0.5
398.14749	0.7
399.15457	0.9
400.16321	1.6
415.25308	5.3
416.15860	0.5
417.16754	0.4
434.16898	0.8
435.18088	0.5
450.20013	1.3
452.21744	3.0
458.16959	1.2
459.18079	0.8
473.29626	2.1
476.18320	0.8
478.19742	2.9
492.20148	0.4
496.20370	1.1
500.48569	0.4
510.22275	100.0
511.22644	5.2
531.33545	2.4
540.15765	0.4
575.24994	0.5
591.26727	0.4
599.24829	1.6
607.27502	1.1
617.25775	1.2
631.27527	6.5
632.27838	0.8
635.26996	7.4
636.26874	0.8
649.29211	1.7
667.29596	28.0
668.29706	2.2
764.28375	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04986	1.0
57.03391	1.4
60.04467	0.8
67.05470	1.3
69.03380	1.5
69.07055	2.6
70.06583	3.0
71.54317	0.6
72.04456	0.6
72.08109	1.1
73.02919	2.7
79.05424	1.5
81.03366	0.8
81.07004	1.0
84.04448	1.6
84.08131	3.5
85.02833	1.8
86.09667	1.1
87.04415	0.6
89.05984	1.3
91.05410	2.0
93.07028	1.2
93.98465	0.5
94.06528	1.5
95.04925	1.0
95.08559	0.8
96.04479	0.5
97.02848	1.0
97.06484	0.9
98.06055	0.9
99.04391	0.9
103.05406	1.1
104.05291	0.9
105.06964	1.1
106.06502	0.7
107.08546	0.9
108.08051	1.2
109.02851	0.7
110.05968	0.8
110.07144	0.8
119.04886	1.1
119.08492	1.3
120.08067	1.7
121.10117	1.3
122.06017	5.0
123.04376	0.6
124.07549	1.0
126.05417	0.6
127.03902	1.2
129.05458	3.5
130.08568	2.2
131.04950	0.5
131.07004	0.8
131.08595	0.6
133.08499	0.8
134.05917	0.7
136.07556	8.2
137.05904	1.2
137.07883	0.5
138.05498	0.6
140.07037	10.9
144.04428	0.7
144.06526	0.9
145.02814	0.7
146.05988	2.7
146.08058	1.0
146.09543	0.8
147.04309	1.1
147.06490	1.8
147.07922	0.7
148.07578	3.6
149.05881	0.6
149.09615	0.6
150.09015	0.5
152.06982	1.2
154.04915	1.0
161.05902	0.6
161.09430	0.6
162.05446	0.9
162.07596	9.7
162.08946	1.2
163.07718	1.5
164.07033	18.2
165.03755	0.6
165.07370	0.6
166.08607	14.2
167.06969	2.1
172.03899	3.2
174.05478	3.4
176.07031	4.1
177.05374	1.3
180.09999	0.9
190.04909	1.4
191.06989	1.3
192.06442	1.1
194.07967	0.6
201.10159	0.7
204.06580	4.1
205.10641	1.7
206.08104	1.0
207.42567	0.6
208.09612	1.4
211.12178	1.2
218.08061	1.2
223.12231	1.4
224.13029	0.7
227.11794	1.0
235.12186	1.5
236.09084	1.1
236.12952	0.8
237.10179	3.4
237.13809	2.3
238.10912	2.3
239.11732	4.9
243.11156	1.1
248.09384	1.3
249.10007	2.8
250.10976	3.1
251.11786	7.6
252.12526	1.7
253.13356	2.1
255.11227	0.9
257.12955	1.4
259.10742	0.8
260.10666	0.7
261.09988	0.8
261.12411	0.8
263.11755	12.8
263.14471	1.2
264.08997	1.1
264.12448	3.3
265.09683	6.3
265.13284	30.5
266.10669	1.2
266.13931	3.0
267.11172	2.1
269.12753	2.0
270.71487	0.5
271.14389	1.3
276.08633	0.7
277.09708	4.6
278.10419	1.9
279.11227	30.5
280.11945	2.9
281.12665	1.5
282.13712	1.5
283.10815	1.0
283.14377	1.9
285.12189	2.4
287.13693	2.5
291.11182	8.3
292.11865	1.5
293.12808	6.1
294.13791	0.7
295.10718	9.0
296.11560	2.5
297.12271	15.4
298.12991	2.9
299.13760	0.7
301.11795	1.2
303.13300	1.0
305.14859	0.7
307.10358	0.7
309.12280	52.3
310.13040	19.2
311.13818	26.6
312.14597	4.9
313.11807	2.6
313.15350	1.3
315.13217	0.7
319.10629	7.0
320.11331	1.6
321.12292	2.1
323.10236	0.9
323.15982	1.5
324.10965	1.2
325.11719	1.5
331.12900	0.6
337.11749	96.1
338.12500	40.7
339.13330	16.6
340.13779	1.1
343.13116	0.6
344.17596	0.6
345.14432	1.2
355.12668	1.1
356.13690	0.6
357.14615	0.9
358.15533	0.6
365.11249	0.7
369.14374	26.4
370.15125	8.8
371.15964	9.3
372.16034	0.7
390.18033	0.9
399.15543	1.4
400.16437	2.5
401.13437	2.4
416.16147	1.0
417.16705	0.8
450.20016	1.8
452.21750	22.2
453.22156	0.7
458.17114	3.5
459.17725	1.6
476.18277	2.2
478.19699	21.2
478.26535	1.0
479.19916	1.1
494.19067	1.6
496.20703	13.1
496.27579	1.0
497.20993	0.6
505.18671	0.8
510.22275	100.0
511.22760	5.9
575.24194	1.3
591.27948	1.0
599.24609	3.7
607.27728	1.1
617.25891	5.6
631.27606	2.1
635.27008	35.7
636.27374	2.5
649.28461	1.6
667.29633	35.4
668.29529	3.0
674.24933	0.9
764.28802	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03413	0.7
58.70890	0.5
59.04980	0.6
60.04498	0.7
61.02900	0.7
65.03916	1.2
67.05490	3.5
68.05003	1.2
69.03415	3.2
69.07046	3.5
69.21629	2.5
69.22048	4.6
70.06587	3.1
71.04963	2.4
72.04494	1.2
72.08114	0.7
73.02879	1.8
79.05484	3.4
81.03396	2.2
81.07038	8.0
82.06551	0.9
83.04945	0.8
84.04477	2.2
84.08119	2.7
85.02898	5.2
85.06476	0.7
86.09686	0.9
87.04436	1.9
89.06006	2.2
91.05466	3.3
93.07037	3.6
94.02905	1.0
94.06557	3.6
95.01279	0.6
95.04942	3.1
95.08589	3.5
96.04521	1.0
96.08102	1.4
97.02859	2.8
97.06494	1.3
99.04433	1.2
100.22333	0.6
103.03917	1.8
103.05447	0.7
105.07007	2.7
106.06530	1.4
107.04894	0.6
107.08564	2.2
108.04461	1.1
108.08085	2.2
109.02849	1.7
109.06463	0.8
109.10133	2.8
110.06004	0.7
111.04471	0.7
111.07985	0.6
111.40073	0.6
112.03902	3.4
112.07579	1.6
113.05943	1.1
117.07005	1.1
118.06531	1.1
119.04891	0.7
119.08537	2.5
120.08064	1.2
121.06472	1.1
121.10102	1.6
122.06006	11.9
122.06867	1.1
123.04404	1.4
123.11715	0.9
124.07569	9.0
125.05980	0.8
126.05433	1.0
127.03890	2.8
129.06992	0.8
130.06491	1.7
130.08618	0.8
131.04846	1.2
131.08572	1.2
132.08052	1.3
133.10056	1.4
134.05974	1.9
135.08058	0.9
135.11647	0.8
136.07558	15.1
137.05957	3.4
138.05472	0.9
138.09140	0.8
140.07033	34.2
142.08636	1.4
144.04414	2.1
144.08029	1.3
145.02751	0.8
145.05077	0.9
145.10085	1.3
146.05965	11.1
146.09608	1.5
147.04364	0.8
147.06377	0.6
147.08020	0.8
147.11615	0.8
148.07536	7.7
149.05939	0.9
149.09599	0.7
150.09076	1.6
151.03993	0.9
151.07480	0.8
152.07004	5.1
154.04982	1.0
155.14267	0.8
156.08051	5.0
157.10088	0.7
161.05981	1.3
161.09589	0.9
162.05479	1.5
162.07596	12.3
162.08981	0.7
163.07811	1.4
164.07022	13.2
165.09103	0.8
166.08621	8.5
167.07022	3.5
171.09186	1.1
172.03891	12.1
173.04659	0.7
173.10736	1.5
173.13174	0.6
174.05487	8.9
174.09084	1.4
176.07036	16.7
177.05431	2.2
177.26379	0.7
179.07018	1.3
181.04897	1.5
181.10031	0.6
190.04968	8.2
191.05583	1.1
191.07111	1.6
192.06577	2.5
197.10696	0.8
198.09146	1.0
199.08707	1.6
200.07126	0.8
204.06523	17.4
205.06900	0.9
206.08105	5.1
206.64639	0.7
208.09637	2.3
209.08112	2.2
209.10730	0.8
210.11424	1.6
211.08835	0.7
211.12236	2.0
212.13095	0.8
215.11711	2.0
216.10118	0.7
218.08069	1.2
220.09875	0.7
221.10793	2.6
223.08774	0.9
223.12245	1.9
224.09387	2.1
224.12886	0.6
225.10141	3.5
225.13803	1.2
226.10822	1.1
227.07986	0.9
227.11760	1.8
235.08629	1.5
235.12134	3.3
236.13002	2.1
237.10129	9.7
237.13747	3.0
238.10959	12.7
239.11726	15.2
241.09677	2.1
243.11151	1.4
246.07632	0.7
247.12112	0.8
248.09428	2.3
249.10159	5.8
250.10849	4.3
251.11755	12.7
252.12434	3.2
253.09717	1.4
253.13344	3.5
254.10429	0.7
255.11223	2.0
259.10602	4.2
261.12366	1.2
263.08987	1.3
263.11722	16.5
264.08902	3.2
264.12204	3.1
265.09711	7.9
265.13290	29.6
266.10382	2.2
266.13947	2.4
267.11325	5.5
267.13870	0.9
268.11954	0.8
269.12790	2.2
271.14453	5.8
275.11697	1.3
277.09674	5.0
277.13281	2.7
278.10437	3.8
279.11215	100.0
280.11884	8.9
281.09787	0.7
281.12650	3.2
282.13626	1.0
283.10727	3.9
283.14276	1.1
284.11469	1.5
285.12234	4.0
287.13751	5.2
289.15369	2.3
291.11176	8.4
292.12006	1.2
293.12726	8.7
294.13913	1.3
295.10730	10.6
295.14282	2.8
296.11508	3.5
297.12265	63.2
298.12860	7.5
299.13788	1.9
307.10611	0.7
309.12274	46.1
310.13052	20.9
311.13800	6.3
313.11798	4.3
314.12579	0.8
315.13370	1.8
319.10678	8.1
321.12283	11.3
322.12885	1.3
323.10101	2.8
323.13461	0.9
324.10907	2.5
325.11743	6.0
326.12476	0.7
331.12720	4.4
337.11743	76.9
338.12506	26.5
339.13318	61.9
340.13773	4.2
345.14337	9.5
355.12714	1.9
357.14294	0.8
363.15524	2.0
366.11801	1.3
367.12680	1.1
369.14389	16.8
370.15231	3.7
371.15964	36.3
372.16507	1.7
373.13742	1.5
385.13785	3.0
386.14963	0.8
392.19556	1.2
399.15402	2.3
400.16705	4.1
401.16992	0.8
418.17380	1.2
442.17413	2.5
449.19315	3.7
450.20276	1.1
460.18588	43.0
461.19046	3.3
462.19989	1.1
464.17502	1.0
465.19028	0.8
466.19894	1.7
475.17056	16.1
477.18460	2.6
478.19662	14.2
480.21158	1.8
485.15787	0.9
492.20602	0.7
493.17853	3.1
499.17007	1.1
505.17978	3.3
507.19693	0.8
509.21396	1.5
510.22159	2.0
517.17712	1.8
535.18915	2.2
549.21088	0.8
583.25507	1.2
596.25262	0.7
599.24060	1.0
600.24982	2.5
601.26434	54.0
602.26678	2.8
622.24402	0.9
627.23920	0.8
633.28558	2.8
640.24841	52.2
641.25513	9.0
642.26160	4.4
672.27484	29.6
673.27576	2.4
745.29498	2.7
763.31683	39.8
764.31903	1.9
795.34595	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	794.5764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03183	1.3
57.03435	15.5
57.07066	8.2
57.59498	1.1
59.63507	1.2
61.02907	3.7
65.03909	3.1
67.05497	93.9
69.07062	34.5
71.04990	2.8
71.08615	2.3
71.26543	1.4
71.26877	2.4
79.05485	43.8
81.07047	100.0
82.07379	1.1
83.04977	1.9
83.08610	19.1
84.08141	1.7
85.02903	2.4
85.06521	3.3
85.10139	1.5
85.55607	1.2
87.04442	4.8
91.05471	29.6
93.07035	50.3
95.04948	4.4
95.08596	75.1
97.02870	2.2
97.06503	3.7
97.10158	11.6
99.08056	3.5
105.07014	23.1
107.08585	26.8
109.06547	1.1
109.10145	32.8
111.08047	3.4
111.11713	2.0
113.09621	2.3
116.83442	1.2
117.07000	4.7
119.08569	18.9
121.09306	1.7
121.10134	22.6
123.08023	2.2
123.11703	12.7
129.07019	1.3
130.08652	1.9
131.08543	10.1
133.10126	16.5
135.11681	17.2
137.13213	4.2
143.08522	1.9
145.10097	7.2
147.11673	8.6
149.09543	1.1
149.13211	11.3
151.11182	1.3
151.14861	1.5
157.10042	1.2
159.11641	6.2
161.13242	10.2
163.14799	7.7
165.16412	1.1
171.11644	1.8
173.13255	6.3
175.14810	4.4
177.16359	1.9
185.13196	1.8
187.14801	3.3
188.92068	1.1
189.16374	3.0
199.14848	1.4
201.16327	1.7
219.21138	1.4
233.22787	1.4
241.19597	2.0
243.18839	1.2
243.21028	7.9
245.22589	4.1
259.20532	5.9
261.22122	22.7
263.23694	4.5
317.24799	5.3
327.26266	1.3
333.24240	3.4
335.25766	86.5
336.26114	4.1
337.27338	87.8
338.27664	2.2
339.29141	5.8
523.44659	3.5
531.40057	1.7
597.48633	36.8
598.49036	3.5
615.39575	1.9
615.49664	32.6
616.49646	2.6
680.15436	1.2
797.85315	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.4305
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05015	0.7
57.03420	1.0
57.07061	0.2
58.02950	0.2
58.06585	0.1
59.04979	0.1
60.04205	0.1
60.04511	2.4
61.02633	0.1
61.02915	1.0
62.98672	0.1
67.05484	0.5
68.05014	0.5
69.03412	2.8
69.07050	0.5
70.02934	0.2
70.06573	0.8
71.01330	0.2
71.04192	0.2
71.04961	0.2
72.04499	7.6
72.08142	0.1
73.02901	6.7
76.04754	0.1
79.05477	0.4
80.04999	0.6
81.03397	0.7
81.07040	1.4
82.02905	0.1
82.06580	0.1
83.04963	0.1
83.08598	0.2
84.04485	8.1
84.08118	0.1
85.02884	2.8
86.06049	0.3
87.04440	0.2
88.03954	0.3
90.05546	0.1
91.03867	0.1
91.05456	0.4
93.07021	0.6
93.09928	0.1
94.06516	0.1
95.05003	0.1
95.07977	0.1
95.08586	1.9
96.04469	4.3
97.02869	3.7
97.05269	0.1
97.06469	0.1
97.10176	0.1
98.06030	2.1
99.04436	0.4
100.03953	0.2
101.02364	0.1
102.05517	0.3
103.03905	0.2
105.07010	0.7
107.04872	0.1
107.08559	0.9
108.04459	0.5
109.02850	0.3
109.10135	1.0
110.05979	0.3
111.04414	0.1
112.03946	0.1
114.05502	1.2
115.03908	2.2
116.07064	0.2
117.06981	0.1
119.08537	0.6
120.08023	0.1
121.10127	0.7
122.05985	0.3
123.04386	0.1
123.11679	0.7
124.03922	0.1
124.07571	0.1
126.05486	4.7
127.03893	2.9
128.06136	0.1
128.07007	0.1
129.05386	0.1
129.06958	0.1
131.04848	0.1
131.08524	0.3
132.06519	0.2
133.04948	0.4
133.10098	0.4
135.11661	0.6
137.05922	0.2
137.13220	0.8
138.05453	0.4
140.07030	0.2
141.06894	0.1
142.07756	0.2
143.08536	0.4
144.06522	6.3
145.04922	1.2
145.10098	0.6
147.04398	0.1
147.07999	0.1
147.11676	0.4
148.07492	0.1
149.13173	0.5
150.05446	0.2
152.06981	0.1
154.04948	0.1
155.08466	0.5
156.06541	0.2
156.08049	0.1
156.09296	0.4
157.10094	0.6
159.11708	0.4
161.13223	0.4
162.07576	100.0
163.05992	0.1
163.07896	0.7
163.14751	0.2
167.07021	0.2
168.06564	0.2
168.09276	0.1
169.10133	0.6
170.10907	0.1
171.07982	0.1
171.11667	0.7
173.09567	0.1
173.13194	0.3
174.07654	0.3
175.14722	0.1
177.05377	0.1
177.16396	0.1
179.08525	0.1
179.14246	0.2
180.06538	0.1
180.08604	1.1
181.04916	0.2
181.10083	0.2
183.11636	0.4
185.13223	0.3
186.07599	0.4
187.11186	0.1
187.14845	0.1
189.12749	0.2
189.16399	0.2
191.06993	0.2
191.14273	0.6
191.15932	0.1
191.17813	0.4
192.06468	0.1
195.11658	0.3
197.13177	0.4
198.07536	0.2
199.14709	0.1
201.08904	0.1
201.16281	0.1
203.10239	0.2
203.17854	0.3
204.06790	0.1
204.08627	1.3
205.19473	0.2
206.08229	0.1
206.10844	0.1
207.06482	0.1
207.11604	0.1
209.13242	0.2
210.07587	0.1
211.11171	0.1
211.14775	0.2
212.09293	0.1
213.16426	0.1
215.10652	0.2
215.77516	0.1
216.08702	0.1
217.19453	0.2
221.13118	0.1
222.07628	0.1
223.14832	0.2
225.16418	0.3
227.10701	0.1
228.08597	0.2
229.12114	0.1
237.16280	0.1
240.08708	0.3
257.15436	0.1
258.09674	1.9
259.10663	0.1
269.15289	0.1
275.12607	0.1
276.10706	3.7
294.11755	26.9
295.12274	0.3
303.15839	0.1
305.13931	0.1
312.12750	0.9
313.14276	0.1
315.15753	0.2
319.15518	0.1
327.15829	0.2
329.17389	0.1
331.15210	0.2
333.16858	0.2
343.18942	0.2
349.54807	0.1
355.19083	0.1
465.29922	2.5
483.30957	2.4
542.20782	0.1
662.38373	0.3
794.43176	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	1.1
57.07051	0.5
65.03922	1.0
67.05492	11.0
69.03414	5.9
69.07050	2.8
70.71434	0.3
71.04965	1.1
73.02897	0.5
79.05476	10.0
81.03400	11.7
81.06590	0.7
81.07043	11.1
83.04944	1.7
83.08594	1.6
83.27784	0.3
84.08138	0.8
85.02888	3.9
86.09665	0.4
91.05466	10.5
93.07024	11.7
95.04958	1.8
95.08586	10.1
97.02285	0.5
97.02870	4.7
97.06516	0.9
97.10135	0.5
98.20788	0.9
99.04430	1.0
99.08066	0.4
103.05433	0.6
105.07018	6.0
107.04930	4.3
107.08578	6.2
107.30846	0.4
108.04466	0.4
109.02879	3.0
109.06480	1.0
109.10123	3.9
111.04410	1.2
111.08009	0.4
115.03905	0.4
115.05454	0.8
117.06998	2.8
119.04919	11.9
119.08553	4.6
121.02835	1.0
121.06458	0.9
121.10120	4.8
122.03575	0.3
123.03568	0.6
123.04407	8.2
123.08065	0.4
123.11666	1.3
127.03902	1.7
129.05437	0.4
129.06956	1.6
130.08640	0.8
131.04918	1.8
131.08537	4.1
133.02821	2.1
133.06468	4.1
133.10095	3.3
135.04381	0.9
135.11656	3.8
137.05952	86.3
137.13158	0.4
138.06297	1.0
142.07773	0.5
143.08511	1.5
145.05008	0.6
145.06432	1.4
145.10112	3.1
146.08145	0.4
147.04379	100.0
147.11617	2.4
148.04715	1.6
149.05948	1.7
149.09586	0.4
149.13225	2.2
151.07434	0.4
155.08510	0.7
157.06485	0.5
157.10072	1.8
159.04393	1.3
159.11685	1.9
161.02324	3.1
161.05949	5.7
161.09543	0.5
161.13203	1.1
163.11174	0.8
163.14824	0.8
165.05446	13.0
165.06862	0.7
169.10059	0.6
171.04396	1.6
171.11661	1.1
172.59764	0.3
173.05917	1.2
173.09593	0.5
173.13237	1.4
175.03922	0.8
175.14810	0.5
177.03979	0.7
177.05452	0.6
179.03671	1.8
179.06993	52.5
180.07310	0.9
181.10109	0.5
185.13206	0.8
187.03844	3.8
187.11108	0.7
187.14772	0.8
189.05434	15.4
194.53745	0.4
197.06038	0.6
197.13170	0.4
199.03903	4.7
205.04895	1.2
217.04916	21.7
218.05240	0.6
223.14626	0.4
229.04868	0.4
235.05992	0.9
241.04889	0.5
243.20984	1.0
245.04398	1.0
259.05984	1.4
259.20441	0.7
261.22134	2.9
263.05450	37.4
264.05814	0.7
277.07025	0.6
277.21649	1.2
289.21521	0.5
291.22983	0.4
295.95273	0.3
301.21323	0.4
303.23111	1.0
305.06485	4.0
315.23062	0.5
323.07544	77.8
324.07889	1.7
341.08655	3.1
341.24490	0.9
351.23151	0.6
355.10138	10.4
364.10165	6.5
369.24191	2.9
387.25348	3.2
405.26437	3.1
423.27243	1.0
526.61084	0.4
622.28253	0.4
718.69287	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	3.1
55.05493	5.3
55.06530	1.1
57.03425	3.0
57.07061	2.7
59.04986	1.5
60.04535	1.3
61.02916	1.8
65.03906	1.4
66.00488	1.0
67.05486	8.9
69.03416	9.7
69.06670	1.3
69.07054	20.7
70.06590	5.7
70.07386	2.2
71.04996	5.8
71.53217	1.0
71.53629	1.5
72.04498	3.1
72.52552	1.2
73.02884	5.5
79.05475	9.2
81.03386	5.0
81.07037	15.8
82.06548	1.4
82.07320	1.2
83.04960	6.8
83.08599	7.6
84.04476	4.5
84.08141	6.2
84.08936	1.2
85.02892	16.9
85.06493	2.9
86.09679	3.7
87.00825	1.6
87.04445	3.4
88.03951	1.6
89.06020	16.9
91.05456	7.6
93.07021	12.7
94.06554	7.3
95.04967	5.6
95.08569	7.5
96.04459	2.3
96.08115	1.5
97.02864	5.4
97.06518	2.7
97.10134	1.3
98.06017	1.4
98.28036	1.3
98.42429	1.3
99.04424	2.7
100.07585	1.6
103.03912	1.4
103.05453	1.1
105.06993	7.5
106.06540	1.7
107.04923	2.3
107.08585	5.4
108.08111	2.0
109.02853	4.0
109.06453	2.9
109.10128	4.0
110.05986	2.1
110.07103	1.4
111.04430	3.3
112.03947	8.5
112.07587	1.9
113.05942	1.7
115.03890	2.1
116.04961	2.4
117.06970	2.7
118.06507	1.9
119.08537	11.7
120.04409	1.9
120.08113	2.6
120.54478	1.2
121.06498	3.2
121.10103	6.9
122.05167	1.6
122.06008	27.7
123.04404	2.4
123.08037	2.1
123.11680	2.8
124.07560	17.4
125.13253	1.5
126.05475	1.1
127.03895	7.1
129.05440	4.6
129.07007	1.6
129.13928	1.0
130.08582	1.4
131.04887	2.4
131.08502	2.8
133.02803	1.2
133.06462	1.6
133.08566	11.7
133.10081	4.9
134.06007	2.5
134.08937	1.2
135.07990	3.2
135.11644	2.3
136.06142	2.9
136.07539	3.7
137.05905	4.5
137.09575	1.9
138.05453	1.7
139.07533	1.1
139.11186	1.9
140.07040	75.4
142.08630	1.9
144.04436	3.0
144.06526	2.6
145.04935	2.2
145.10086	3.2
146.05980	24.5
147.04369	1.6
147.06766	2.2
147.07956	3.6
147.11653	2.2
148.07553	6.0
149.05980	2.2
149.09575	2.6
149.13228	1.3
151.03853	1.5
151.11093	1.3
152.07062	2.7
157.09995	2.0
159.11635	1.8
161.05919	1.8
161.09564	1.7
162.05434	3.8
162.07588	27.2
163.07744	1.7
165.09137	3.4
167.07011	3.8
167.10683	2.0
171.11606	2.5
172.03894	36.2
172.07503	2.0
173.09668	1.4
174.05475	28.6
176.07033	11.6
177.05440	2.8
177.11174	5.3
178.08678	2.6
184.09938	1.6
187.11194	1.3
189.09044	1.6
190.04990	15.3
191.05594	1.4
192.06497	4.6
197.10625	1.5
199.12329	2.0
204.06528	65.0
205.06822	2.1
206.08115	19.1
210.14987	1.2
211.08568	2.6
212.09288	2.7
216.10205	1.8
220.06078	1.2
222.07532	2.1
223.08658	2.2
224.09273	2.3
225.10223	7.0
226.10889	2.0
227.11758	13.9
231.13719	1.1
237.10219	3.4
238.10919	2.2
239.11836	6.7
240.12494	2.1
241.09612	3.2
243.11269	2.1
251.11700	3.3
252.12680	1.4
253.09618	3.8
255.11159	3.0
263.08167	1.4
264.08975	1.7
265.09692	4.4
267.11139	5.0
269.09058	1.9
269.12732	11.6
271.10706	7.2
271.14514	1.4
275.11896	1.2
279.10999	2.8
283.10751	12.1
284.11423	9.5
285.12195	5.8
287.13855	29.5
291.10715	1.2
294.11722	5.7
295.10654	3.6
296.11450	1.8
297.12384	6.8
300.12042	1.6
301.12100	5.7
302.12460	2.6
309.12097	1.6
311.14621	2.2
312.15143	2.1
313.11710	11.4
314.12866	3.8
315.04950	2.2
315.13629	4.8
316.14374	8.3
323.10107	2.0
325.11441	1.8
326.16553	1.9
327.20068	4.2
328.14325	3.2
329.11606	3.7
329.15424	4.2
330.12216	4.9
330.15927	7.4
331.12796	15.6
331.16748	11.8
332.17310	2.0
334.09201	2.2
336.10632	1.4
339.12900	1.2
340.11539	1.4
342.12299	7.1
342.15869	1.4
343.13113	6.9
343.16833	1.4
344.13876	1.9
344.17523	8.8
345.14386	49.7
346.14996	2.5
352.14557	1.6
354.15787	1.8
355.13010	2.4
355.16995	2.1
356.13828	6.0
356.17722	2.1
357.14771	5.5
358.15524	13.1
363.15378	7.6
366.11700	4.4
367.12494	1.5
368.13916	2.1
370.15417	4.6
371.12173	1.5
371.16586	1.8
371.22644	2.0
372.17261	7.2
372.22986	1.4
374.18628	1.5
380.13831	1.9
382.11737	3.6
382.15808	2.3
383.12576	3.5
384.13242	18.2
385.14127	5.6
385.24274	1.7
386.14517	6.0
386.18765	3.1
387.15649	2.1
388.16544	2.7
390.18143	8.1
391.18677	2.6
398.14886	20.1
399.15741	34.6
400.16486	51.0
401.16812	4.1
402.14301	3.9
412.16394	2.9
414.18149	9.0
415.18790	2.4
416.15756	5.2
417.16861	9.3
418.17523	12.1
430.17438	6.0
431.17987	3.8
440.15842	7.5
441.16605	3.0
444.15457	4.7
457.15820	3.1
458.17020	30.7
459.17697	18.0
460.18353	4.7
475.17029	51.8
476.17441	3.0
490.19653	6.7
491.20581	1.9
493.18112	14.5
498.22040	1.9
499.22177	2.7
507.19513	3.5
509.36194	3.8
510.37222	6.1
528.38245	2.1
557.23810	2.6
581.23218	4.9
599.24927	60.5
600.24774	5.8
631.27393	7.6
669.24994	1.3
702.25574	1.3
719.29346	1.8
743.28430	3.5
761.30109	100.0
762.30334	11.4
775.37195	1.3
793.32581	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	4.6
55.05506	24.2
57.03422	6.8
57.07073	3.7
65.03921	4.2
67.05499	83.8
69.03419	13.6
69.07067	24.6
70.64011	3.5
70.64375	4.9
71.04985	5.6
77.03912	2.1
79.05484	74.4
80.64093	2.0
81.03410	11.4
81.07048	100.0
83.04955	6.9
83.08607	10.4
84.08136	25.6
85.02887	16.5
85.06503	3.6
89.27036	1.8
91.05475	45.7
93.07036	89.8
94.78476	1.8
95.04954	10.5
95.08598	68.4
97.02878	7.6
97.06503	4.2
97.10146	4.7
99.04464	3.0
99.08080	2.4
105.07020	38.7
107.04956	2.8
107.08580	53.9
107.21722	1.7
108.04446	3.7
109.06444	3.9
109.10149	37.3
109.69450	1.9
111.04428	4.5
111.08085	2.7
111.11665	1.7
113.09630	2.3
115.05412	3.8
117.07016	19.6
117.18927	1.8
117.65353	1.9
119.08565	33.0
121.06472	3.2
121.10126	47.0
123.08032	3.7
123.11713	15.6
125.09711	2.1
127.03906	5.4
129.05478	2.7
129.06990	8.9
130.07689	3.2
130.08627	46.5
131.07587	2.7
131.08557	36.6
133.06474	3.4
133.10126	23.9
135.08044	3.8
135.11678	33.8
137.09543	3.2
137.13252	5.5
139.11162	4.4
139.12213	2.1
141.06999	2.2
143.08485	6.2
144.09323	2.4
145.04884	2.0
145.06445	2.8
145.10095	27.7
147.11664	19.2
149.09616	3.5
149.13237	22.6
155.08553	3.1
157.10124	6.6
159.08104	2.0
159.11678	26.5
161.13240	12.5
163.11153	3.6
163.14833	18.8
165.12766	2.4
169.10062	3.8
171.11638	7.8
173.13226	20.4
175.14789	5.6
177.12659	2.2
177.16377	5.5
183.11732	3.2
185.13234	5.4
185.19167	2.0
187.14772	11.5
189.12726	2.2
195.11870	1.9
197.13351	2.7
199.14812	2.4
201.12949	2.7
201.16484	3.3
205.15839	3.1
208.06494	1.9
227.14355	2.5
231.17529	2.9
233.22617	5.2
243.21066	30.0
259.20541	5.0
261.22125	90.6
262.22534	2.3
270.28207	1.8
277.14441	2.2
277.21500	3.5
279.23224	2.3
291.23206	4.0
301.21591	2.9
303.23120	5.9
315.23041	2.1
317.24597	2.1
319.22592	2.9
335.25674	15.6
351.23160	5.5
353.26877	24.5
369.24304	16.3
387.25113	14.7
405.26416	15.1
406.26306	2.0
409.49744	1.9
423.27353	10.5
507.12790	2.2
637.93829	2.4
642.38110	2.0
799.27319	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	792.5665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	1.3
57.07067	34.2
59.04992	15.7
67.05503	1.1
67.44393	0.4
69.03415	0.8
69.07053	2.2
70.06588	0.6
71.04991	1.0
71.08621	65.3
72.56016	0.4
73.02908	2.6
73.06177	0.5
73.06550	5.6
79.05469	0.8
80.55905	0.5
81.07048	0.7
83.08581	0.6
84.08137	0.8
85.10170	33.2
87.04456	19.9
87.08089	0.5
89.06017	100.0
90.06286	0.5
91.05439	0.5
91.07574	0.8
93.07038	0.8
95.16870	0.4
98.21532	0.9
101.06029	0.5
103.07571	7.1
107.07057	4.9
107.08574	0.5
109.10191	0.4
113.06026	0.7
113.68507	0.4
117.09113	5.8
127.14780	3.1
130.08617	6.0
131.07021	7.0
131.10684	0.6
133.08583	79.4
134.08899	0.7
135.10153	0.5
141.16321	0.9
151.09648	0.6
157.08557	0.4
159.10159	0.6
161.11720	2.3
163.36491	0.5
175.09627	6.5
177.11197	36.8
179.12798	0.8
185.18991	7.6
195.12207	0.5
201.11188	0.6
219.12201	2.5
221.13803	7.7
223.15382	0.6
229.21602	5.9
239.14742	2.3
265.16367	1.5
267.17963	0.7
273.24139	1.0
283.17471	3.6
309.18878	1.5
327.20013	2.3
353.21564	1.2
371.22723	1.2
397.24283	1.3
415.25491	0.6
459.27792	0.9
485.29715	0.6
547.32996	0.9
573.34021	0.5
591.35651	7.2
631.38391	1.3
661.21918	0.5
738.76453	0.5
775.54163	2.1
792.58032	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	792.5611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.5
55.05260	1.0
55.05504	15.6
56.05018	1.1
56.44885	0.7
57.03437	5.8
57.07071	5.2
65.03925	2.8
67.05498	75.8
68.05829	1.1
69.03416	9.6
69.06722	1.0
69.07065	14.3
70.13604	2.7
71.01327	1.1
71.04981	4.7
71.08626	1.4
73.26324	0.7
74.09703	0.9
77.03905	1.0
79.05485	51.0
80.05815	0.9
81.03416	9.6
81.07048	83.4
83.04976	3.9
83.08607	9.6
84.08134	51.5
84.08534	0.7
85.02428	0.8
85.02901	9.7
85.06521	2.9
87.04441	0.7
91.05471	34.0
91.60316	0.7
93.07031	64.9
95.04968	8.9
95.08596	65.8
97.02873	6.0
97.06518	5.2
97.10160	4.8
97.59425	0.6
98.20743	0.9
99.04453	2.6
99.08068	3.1
103.03927	1.3
105.04490	0.9
105.06304	1.7
105.07017	28.9
107.04934	2.4
107.08584	39.5
108.08891	0.9
109.02849	2.6
109.05884	0.7
109.06493	4.1
109.10147	35.1
110.10434	0.8
111.04411	2.7
111.08067	2.5
111.11671	1.7
113.09640	1.6
116.06210	0.8
117.05463	0.8
117.06999	14.5
119.08569	24.4
121.06511	2.7
121.10132	38.7
123.04406	1.4
123.08044	2.4
123.11694	16.6
125.09643	2.8
127.03895	3.2
128.06149	0.9
129.05490	1.3
129.06978	3.7
130.08627	100.0
130.15872	2.8
131.08537	27.2
133.06453	1.8
133.10107	20.3
135.08055	2.7
135.11674	26.7
135.12706	1.5
137.09587	2.7
137.13245	6.1
139.11156	2.5
141.06976	2.2
143.08530	5.2
145.04932	2.3
145.06479	1.6
145.10117	20.8
147.07996	1.2
147.11668	15.3
147.12770	1.1
149.09607	3.1
149.13239	20.8
151.07518	1.4
151.11150	2.9
151.14769	1.9
153.12701	1.1
155.08511	2.2
156.09451	0.8
157.06526	1.2
157.10118	4.0
159.08064	1.5
159.11676	20.1
161.09598	1.6
161.13237	15.6
163.11165	2.8
163.14816	11.4
165.12741	2.9
167.10606	0.9
169.10118	2.5
171.08018	1.7
171.11739	3.7
173.09669	1.2
173.13242	20.0
173.14679	1.5
175.11215	0.9
175.14809	5.0
177.16383	5.1
179.10629	0.7
179.14334	2.4
181.10104	1.0
183.08038	1.0
183.11667	2.8
185.09650	1.0
185.13213	4.3
187.11121	2.0
187.14793	10.1
189.12630	0.9
189.16470	1.0
191.14330	2.0
193.12195	0.9
195.11716	1.5
195.13736	0.7
197.13264	2.4
199.11234	1.3
199.14812	1.7
201.12608	1.0
201.16376	2.6
203.14371	1.4
205.15881	3.1
209.13237	1.2
211.11151	1.3
213.12737	1.1
213.16479	1.0
215.18022	1.2
217.70210	0.9
219.17484	1.4
223.16968	1.0
233.22687	2.7
241.19499	1.6
243.21074	27.5
244.21480	0.8
249.14883	2.2
253.14297	1.0
259.20596	4.2
261.22110	81.3
262.22433	2.7
263.23651	1.0
271.20563	1.5
273.22067	1.3
275.20120	0.9
277.14285	2.3
277.21585	3.4
279.23309	3.8
285.22134	1.0
289.21698	2.1
291.23199	2.7
301.21902	1.1
303.23245	3.6
313.21698	1.7
315.23215	3.0
317.24722	2.2
319.22797	1.2
323.23682	1.0
327.07788	1.4
327.23145	2.7
331.22571	1.4
335.25757	23.3
341.24878	2.1
345.24387	2.1
351.22882	3.9
353.26782	23.7
354.27573	1.1
359.25681	1.5
363.25168	0.8
369.24194	11.5
383.14124	0.9
387.25238	9.7
405.26367	9.7
406.27066	0.9
423.27365	4.8
443.27811	0.8
495.26993	0.9
683.97485	0.9
757.52582	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.9
55.05507	12.8
57.03195	0.5
57.03433	8.0
57.07076	3.2
61.02918	2.7
65.03921	1.9
67.05496	50.4
69.03407	1.0
69.07059	13.7
70.69903	1.4
71.04978	1.5
71.08620	0.6
73.02905	0.5
77.03903	0.8
79.05481	31.3
81.03392	0.7
81.07046	52.4
83.04955	1.5
83.08614	6.7
84.08097	0.5
85.02890	2.6
85.06517	1.4
91.03936	1.1
91.05467	18.1
93.07029	36.9
95.04974	3.0
95.08596	37.7
97.02872	1.5
97.06524	2.5
97.10145	2.3
99.08069	0.8
105.04539	0.9
105.07017	15.7
107.08578	19.5
109.06515	1.0
109.10141	18.1
111.08069	1.3
114.22553	0.5
117.06992	5.4
119.08566	12.4
121.10126	16.9
123.08071	0.9
123.11686	6.9
125.09628	0.6
126.25526	0.4
129.05473	0.6
129.06996	1.1
130.08600	0.6
131.08557	9.4
133.10112	11.5
135.10670	0.8
135.11673	12.8
137.09576	0.9
137.13261	2.1
137.80597	0.4
139.11198	0.6
143.08534	0.9
145.10098	7.3
147.11664	8.9
149.09619	0.5
149.13239	6.8
151.11119	0.6
151.14854	0.5
153.12593	0.5
157.10112	1.3
159.11678	7.3
161.13261	5.9
163.14806	4.4
169.10063	0.5
171.11658	1.8
173.13261	6.9
175.14772	3.7
175.68510	0.4
177.12622	0.6
177.16353	1.4
185.13187	1.8
187.14812	3.0
189.12675	0.6
189.16295	0.8
197.13196	0.6
199.14795	1.4
201.16338	1.4
203.17850	0.5
213.16434	0.6
215.18037	0.7
217.19525	0.5
231.21010	0.5
233.22545	0.6
241.19592	3.0
243.21027	5.1
245.22716	0.5
257.18939	0.8
259.20535	7.5
261.22110	16.7
263.23669	1.6
277.90585	0.4
279.23169	1.1
287.23419	0.6
291.22903	0.4
299.23581	0.6
315.23145	0.7
316.78989	0.5
317.24738	4.0
333.24210	7.6
335.25751	100.0
336.26071	4.2
337.27344	10.4
491.36484	0.5
497.30774	0.7
503.36993	0.6
520.44214	0.4
521.43121	2.1
529.38947	0.5
531.40552	0.7
539.44574	1.1
543.39691	0.6
595.47150	14.7
596.47314	1.2
613.48224	14.3
614.48071	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.4572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.6
55.05502	17.8
57.03429	4.0
57.07063	12.8
57.45903	0.6
58.54082	0.6
59.04986	5.8
60.04507	0.6
61.02918	1.6
67.05489	7.5
68.99775	1.1
69.03413	10.8
69.07055	100.0
69.79826	1.0
69.80243	2.7
70.06586	2.9
71.04974	6.5
71.08646	0.9
72.04501	1.1
72.08167	0.8
73.02887	4.3
73.06548	1.9
74.06075	0.6
79.05489	3.5
81.03398	8.3
81.07043	11.3
82.07388	0.5
83.04972	3.7
83.08603	41.8
84.04513	1.6
84.08147	2.4
85.02891	20.1
85.06533	2.5
86.03194	0.9
86.09717	1.3
87.00810	6.0
87.04452	8.1
88.02253	0.7
89.06013	72.2
90.06377	0.7
91.05453	4.3
93.07024	7.5
95.04973	2.9
95.08583	9.7
97.02863	6.2
97.03375	0.7
97.06522	0.9
97.10164	2.5
98.20730	0.7
99.04445	3.8
99.08086	2.0
103.03932	1.3
103.07582	1.6
105.01823	4.2
105.07037	5.2
107.07059	3.0
107.08552	4.0
109.02867	7.4
109.06491	1.1
109.10134	8.2
111.04440	1.9
111.08065	0.9
111.11775	1.0
113.09673	0.8
115.03946	1.5
117.07011	1.1
117.09159	1.2
119.04972	0.7
119.08555	6.6
120.08090	1.5
120.08881	0.9
121.06502	1.9
121.10117	3.7
123.04492	0.8
123.11699	3.9
125.05981	1.3
125.09620	1.4
125.13241	9.1
126.05528	1.4
127.03886	11.0
129.01790	0.8
129.05499	1.5
129.10251	1.4
130.08578	3.0
131.04941	1.1
131.07019	3.8
131.08571	1.7
133.08578	61.5
133.10156	2.2
135.08081	1.4
135.11691	1.6
136.06154	3.9
136.07677	0.6
137.05966	2.9
137.09599	1.1
138.05490	0.6
139.11240	0.8
140.07007	0.9
141.12766	1.1
143.08551	0.9
143.14326	2.1
144.06519	0.8
145.04948	2.7
145.06520	0.7
145.10098	3.0
147.04381	1.5
147.08093	2.5
147.11713	1.6
148.07524	0.8
149.05960	1.0
149.09619	1.3
149.13223	0.8
151.11206	0.9
151.14832	0.9
157.10170	1.1
159.02946	3.1
159.08038	1.0
159.11702	1.7
161.05965	1.1
161.09715	1.1
162.07607	15.9
163.07834	0.8
165.09099	3.6
165.16406	1.1
167.07014	4.3
167.10713	0.6
169.09930	0.7
171.11490	0.7
173.05957	0.8
173.13275	1.7
175.09673	3.4
175.11095	0.9
177.11189	26.1
179.06999	0.8
179.10770	0.8
181.04951	0.6
183.17474	2.5
187.14804	0.8
189.09041	0.8
191.06927	0.8
191.12862	0.7
191.18028	1.0
193.44597	0.7
195.12242	1.7
199.14734	0.7
201.18446	0.9
203.10539	0.7
207.06531	0.8
207.13568	0.6
219.12244	0.9
221.13791	9.6
223.15395	1.0
227.20000	3.8
231.04930	1.6
237.13579	0.8
237.16829	0.8
239.14856	3.2
245.21124	0.8
261.22104	0.7
265.16479	2.5
271.22708	0.8
281.19568	0.8
283.17484	6.8
285.12210	0.7
293.13409	0.8
294.11670	4.4
297.19342	0.7
309.19046	5.3
311.14871	1.0
327.20053	46.7
328.20609	0.9
333.26218	0.7
337.11932	0.6
365.28967	1.4
367.23187	12.3
371.22870	1.1
385.24182	6.2
421.31659	1.2
447.30933	1.3
455.32007	1.2
473.32645	2.4
498.21866	1.0
509.36752	54.9
510.37454	3.1
527.37805	14.6
601.27039	0.8
630.35156	0.9
792.45038	2.0
794.94159	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01805	0.5
55.05425	1.4
56.04974	0.4
57.03354	0.5
57.07006	0.7
58.34592	0.3
58.43823	0.3
59.04908	0.4
61.02832	0.4
67.05406	1.7
68.04952	0.5
69.03329	1.7
69.06966	3.6
69.18538	3.0
69.18958	1.1
70.06499	1.1
71.04891	1.5
73.02817	0.9
73.03193	0.4
79.05397	1.0
81.03308	1.5
81.06947	2.8
83.04910	0.9
83.08594	2.3
84.04388	1.0
84.08030	14.4
84.08582	1.0
85.02793	4.0
85.06442	0.9
86.06010	0.5
87.00720	1.1
89.05955	0.8
91.05367	1.5
93.07018	2.5
94.06552	2.9
95.04849	1.3
95.08485	3.3
96.60909	0.4
97.02776	1.2
97.06432	0.4
98.20638	0.4
99.04354	0.7
100.11124	2.2
103.03756	0.4
105.01726	1.1
105.06997	1.9
107.00349	0.4
107.04895	0.4
107.08551	1.8
108.08006	1.5
109.02854	2.5
109.06452	0.4
109.10109	1.7
110.05965	0.5
111.04336	0.5
112.07472	1.1
113.09560	0.4
116.10645	0.4
117.01794	0.4
117.06940	0.4
119.08585	2.2
120.08033	0.7
120.08848	0.4
121.06433	0.5
121.10128	3.0
122.06006	12.4
123.04330	1.0
123.11564	1.3
124.07533	0.8
126.05437	0.6
127.03872	2.6
130.08614	15.3
131.08415	0.6
133.08528	0.6
133.10107	3.0
134.05879	0.8
135.07973	0.4
135.11546	1.4
136.06084	0.7
136.07454	1.0
137.05840	0.8
137.09537	0.4
138.05321	0.4
140.07036	23.5
144.04355	0.9
144.06441	0.5
145.04848	0.8
145.09970	1.3
146.05986	6.3
147.06630	0.4
147.07957	0.8
147.11612	0.8
148.07413	1.3
149.13110	0.6
152.06970	0.9
153.12660	0.5
154.08502	0.5
157.10043	0.6
159.02794	0.8
159.11537	1.2
161.13155	0.6
162.05418	0.8
162.07584	4.5
165.09030	0.8
167.06903	1.5
171.11629	0.6
172.03893	9.2
173.04541	1.1
173.13081	1.3
174.05469	12.0
175.14624	1.1
176.07031	3.6
181.04901	0.6
182.09508	0.5
182.15314	0.9
186.08969	0.6
187.14639	0.8
190.04878	2.6
191.05588	1.5
191.17764	0.5
192.06407	1.5
197.10605	0.6
199.08572	0.5
199.12169	0.5
201.16232	0.9
203.17758	0.8
204.06520	20.7
206.06360	0.4
206.08060	5.0
209.10757	0.4
209.16357	1.0
210.09106	0.5
210.14699	1.1
211.08513	0.9
212.09401	0.7
213.10178	0.5
214.47734	0.4
223.08580	0.6
223.12077	0.5
224.09259	0.7
225.10172	3.0
226.10799	0.9
227.11736	8.4
231.04906	1.0
237.09988	1.6
238.10811	0.9
239.11723	2.6
241.09471	0.7
241.13263	0.7
243.11166	0.5
243.20999	2.4
249.10147	1.2
250.10986	0.7
251.11668	2.8
252.12520	0.5
253.09586	1.8
253.12967	0.6
255.07458	0.5
255.10997	0.5
261.12473	0.8
261.22171	2.0
263.08136	0.7
263.11646	1.0
265.09637	2.6
267.11078	1.9
269.08661	0.4
269.09726	0.5
269.12787	7.8
271.10721	3.0
277.09561	1.3
278.10455	0.8
279.11166	2.8
280.11758	0.6
281.09116	0.7
281.12527	0.6
283.10730	5.0
284.11392	3.3
285.12268	3.6
287.13843	20.3
291.11160	0.9
293.09106	0.5
293.12677	0.9
294.11774	1.0
295.10559	1.7
295.13943	0.4
297.12173	2.8
300.12109	0.6
301.11996	0.9
309.12186	1.4
311.10269	0.6
313.11734	16.2
314.12686	0.8
315.13663	0.9
316.14435	2.7
317.15198	0.5
321.08621	0.9
321.12027	0.5
323.10056	1.2
323.13681	0.6
324.10754	1.0
325.11850	1.2
326.16458	0.8
327.13388	4.3
327.17108	0.8
328.14288	0.8
329.11310	1.5
329.15173	1.4
330.12122	1.0
330.15921	3.0
331.12717	5.4
331.16669	4.3
332.17218	0.7
337.11700	1.2
339.13385	8.1
340.14188	0.7
342.12302	2.3
342.15918	0.8
343.13055	1.7
344.13745	0.9
344.17462	3.1
345.14386	12.8
346.14636	0.5
352.14349	0.6
353.11310	0.5
354.15952	0.5
355.13510	1.2
356.13858	1.9
357.14948	1.8
358.15375	4.2
359.15570	0.5
363.15347	1.4
365.11215	0.5
365.28738	1.8
367.12811	7.0
368.13638	1.3
370.11597	1.1
370.15536	1.7
371.12344	0.6
371.16785	0.5
372.16922	3.0
374.18457	0.7
380.13745	0.8
382.11655	1.0
382.15787	0.8
383.12875	1.4
384.13223	6.4
384.17413	0.6
385.14099	3.4
386.14594	3.5
386.18817	1.4
387.14709	0.5
388.16519	1.2
390.18106	3.6
391.18906	0.5
392.19629	0.7
397.14459	0.6
398.14883	8.9
399.15741	15.2
400.16464	22.8
401.16553	0.6
402.14282	0.8
403.19135	0.6
412.16400	1.3
414.18115	4.5
415.19000	2.1
416.15842	1.5
417.16736	5.9
418.17511	6.4
429.29672	0.5
430.17603	2.4
430.22696	0.4
431.18387	1.8
440.16061	5.1
441.16684	2.1
442.15659	0.6
444.15524	1.7
458.17041	21.5
459.17773	11.3
460.18527	1.2
490.19455	2.0
491.20450	0.5
508.20981	2.3
509.27927	0.6
509.36072	0.4
540.23425	7.8
555.26251	0.5
557.23694	1.4
564.20428	0.4
580.34113	0.4
581.23926	1.9
599.24884	100.0
600.25104	3.4
614.25098	0.4
617.25958	1.1
631.27496	51.3
632.27753	1.6
679.51221	0.6
690.57074	0.4
700.39618	0.4
792.42499	0.7
793.09442	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.5462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	4.1
57.03429	2.7
57.07066	100.0
58.04203	7.0
59.04990	37.9
67.05490	3.4
69.03419	1.2
69.07061	3.9
71.04996	1.6
71.08617	67.9
71.53485	1.8
71.53853	1.7
72.05760	13.0
73.02896	8.1
73.06545	20.9
75.04462	1.3
81.07051	3.4
82.07808	1.4
82.25399	1.0
83.08601	2.8
84.08096	1.7
85.02785	0.9
85.06515	1.7
85.10166	58.5
86.07305	2.2
87.04449	24.5
87.08096	2.6
88.05239	2.9
89.06017	19.8
90.01902	31.1
91.05468	1.3
95.08594	3.3
97.10160	3.0
99.11710	10.0
101.06001	3.5
101.09626	1.3
103.07568	10.3
105.07000	1.4
109.10081	1.1
111.11742	1.5
113.13269	3.1
115.07559	1.8
116.08349	2.3
117.08295	1.7
117.09117	22.2
121.10104	1.5
128.14580	1.4
129.09094	1.2
130.08615	3.5
131.07014	1.4
133.08574	12.1
147.10143	3.7
154.38945	1.1
155.17888	6.2
159.10179	1.6
161.11714	3.0
165.11340	1.4
177.11194	6.3
178.07068	5.2
179.12753	2.7
183.17494	1.2
191.12798	1.6
194.13998	1.8
205.14432	1.3
208.15414	3.8
213.22115	9.7
222.09711	6.1
222.17014	4.0
223.15355	2.1
235.42303	1.1
238.16374	2.0
241.21429	1.0
249.71046	1.0
252.18077	3.8
254.24942	1.4
266.12222	1.9
266.19513	5.5
267.18127	1.3
268.17606	2.5
271.26215	5.3
280.21259	1.8
282.19141	3.1
285.17651	2.0
296.20660	6.0
310.22144	7.7
312.20032	2.6
324.23856	1.4
326.21548	4.6
329.20529	2.4
335.17065	1.1
338.25143	1.5
340.23279	4.3
354.24817	3.8
356.22992	1.3
373.64218	1.1
376.34164	2.0
384.25916	2.1
398.27219	2.5
403.01678	1.2
414.27072	2.5
420.36780	4.9
428.28137	1.3
436.36264	1.7
444.27771	1.5
464.39349	8.7
504.26813	2.1
508.41937	5.3
552.44550	7.2
568.44067	1.9
596.47034	1.7
612.46008	2.1
640.49866	20.5
656.49139	2.9
684.52588	2.3
700.52112	5.4
791.54712	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	792.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.6
55.05494	1.3
56.05019	0.3
57.03421	0.7
57.07055	0.3
59.04975	1.1
61.02917	0.6
65.03931	0.4
67.05492	3.4
67.73804	0.3
69.03422	1.6
69.07051	4.6
70.06580	2.1
71.04974	3.1
71.23021	0.6
72.04494	0.7
72.08151	0.4
73.02902	1.5
79.05465	2.0
81.03403	1.2
81.07043	6.4
83.04967	2.7
83.08598	0.9
84.04490	1.3
84.08132	3.5
85.02880	3.7
85.06514	1.4
87.04459	0.5
89.06022	3.1
91.05458	2.7
93.07032	3.3
94.06550	2.3
95.04938	1.7
95.08588	5.4
96.04478	0.7
96.08104	0.4
97.02880	1.6
97.06538	0.8
98.05942	0.4
99.04445	0.7
99.08077	0.4
102.05483	0.4
103.07563	0.4
105.07009	1.9
107.04924	0.5
107.08557	1.6
108.08093	1.3
109.02853	0.8
109.06482	0.7
109.10136	1.6
110.06020	0.7
111.04436	1.3
112.07571	0.7
115.03876	0.3
115.07606	0.4
117.07028	0.7
119.04922	0.5
119.08559	4.0
120.04385	0.4
120.08115	0.8
121.06496	0.4
121.10108	1.6
122.06007	8.6
123.04386	0.5
123.11668	1.0
125.09584	0.4
126.05451	0.6
127.03887	1.5
129.05482	1.0
130.08612	3.1
130.15895	0.5
131.04898	0.5
131.08525	0.8
133.06544	0.5
133.08571	2.0
133.10121	1.1
134.06013	0.9
135.11638	0.6
136.06207	1.0
136.07533	1.0
137.05928	1.6
137.13258	0.5
139.11113	0.3
140.07034	14.5
141.12674	2.4
144.04433	0.8
144.06541	0.9
145.02846	0.4
145.04959	0.8
145.10112	0.9
146.05963	6.8
147.04373	1.0
147.06818	0.6
147.08047	1.6
147.11713	0.8
147.87672	0.3
148.04935	0.3
148.07565	1.0
149.09694	0.3
149.13246	0.5
151.07567	0.5
152.07042	0.9
154.08665	0.5
155.14278	2.5
156.10161	0.5
157.10161	0.5
159.07990	0.5
159.11636	0.4
161.06012	0.5
161.09624	0.6
162.05453	1.3
162.07579	10.0
163.06226	0.5
163.07591	0.6
165.09067	1.6
167.07002	1.7
169.15862	0.5
172.03896	10.2
172.07596	0.5
174.05434	4.6
175.03816	0.3
176.07024	3.0
177.05420	0.7
177.11110	0.6
177.16328	0.4
181.04895	0.4
184.09714	0.3
188.06979	0.4
190.04951	2.5
191.05550	0.5
191.07173	0.5
192.06560	1.0
194.07889	0.3
199.08711	0.4
199.12407	0.7
204.06511	27.9
205.06830	0.4
206.08080	7.5
207.06487	0.5
208.09726	0.3
209.08040	0.4
210.09200	0.3
210.11475	0.4
211.08615	0.7
212.09348	0.7
213.10358	0.4
217.09673	1.1
223.12152	0.4
225.10275	2.9
226.08830	0.4
226.10945	0.7
227.11737	6.1
235.08730	0.5
236.09500	0.8
237.10190	2.3
238.11084	1.0
239.11795	2.0
239.14705	0.6
240.12527	1.9
241.09785	0.9
241.13223	0.8
243.11214	0.7
249.10329	1.2
250.11073	0.5
251.11694	5.2
253.09584	1.7
253.13481	0.6
255.11398	0.6
257.13025	0.4
261.12421	0.7
263.11740	1.0
264.08948	0.5
265.09656	3.4
266.10574	0.7
267.11328	1.7
269.12738	4.5
270.10254	0.4
271.10599	2.6
271.22598	0.5
277.09674	1.0
278.10309	0.7
279.07980	0.7
279.11194	5.9
280.11987	1.1
281.09158	0.6
281.12845	1.3
283.10721	4.1
283.17484	0.9
284.11560	2.8
285.12241	2.7
286.13040	0.8
287.13828	13.1
289.09641	0.4
291.11337	0.6
293.09229	1.8
293.12820	1.0
294.12027	2.3
295.10858	1.5
295.14349	0.4
297.12247	4.7
297.19067	0.7
299.13901	1.7
300.12244	1.1
301.11984	0.5
302.07513	0.4
307.10806	1.7
309.12186	1.1
311.10193	0.9
311.13763	0.7
312.11102	1.0
312.14920	0.5
313.11777	3.8
314.13232	0.5
315.04871	0.5
315.13617	0.7
316.14291	2.2
321.08710	0.4
323.10110	0.7
323.13678	0.5
323.20795	0.4
324.11151	0.6
325.11719	7.8
327.13394	5.2
327.17062	0.8
328.14893	0.7
329.11557	1.0
329.15125	0.7
330.12216	1.2
330.16022	2.4
331.12891	2.3
331.16800	4.6
332.17572	0.8
335.10156	1.2
337.11749	1.0
339.13348	8.0
340.14276	1.9
341.15176	0.4
342.12454	1.9
342.16156	0.5
343.13004	1.9
344.13751	0.9
344.17578	2.7
345.14404	9.0
347.27927	0.5
351.13168	0.5
353.11105	2.4
354.16324	0.5
356.13843	2.3
356.17542	0.4
357.14612	2.4
358.15381	4.3
359.15665	0.3
363.15384	1.3
365.28973	0.7
367.12869	5.5
368.13666	3.0
369.14609	1.2
370.15549	1.5
371.16489	0.4
372.16998	2.8
374.18793	0.7
380.14047	0.6
383.12787	0.6
384.13351	5.5
385.13882	10.1
386.14850	3.0
386.18930	0.9
388.16595	0.6
390.18039	4.4
398.14902	6.8
399.15601	15.5
400.16461	20.8
401.17007	1.0
402.14261	0.6
403.19061	0.5
412.16574	0.8
414.18137	3.6
415.19092	1.7
416.15604	1.6
417.16727	5.3
418.17474	5.8
422.14899	0.5
430.17609	1.5
431.18283	2.2
440.16031	3.2
441.16382	1.0
442.17520	0.8
444.15512	1.7
458.17017	19.5
459.17749	12.1
460.18341	1.3
490.19614	3.2
491.20346	1.2
508.20773	0.9
509.36621	2.1
527.37225	0.4
540.23315	31.1
541.23535	2.0
555.26459	0.4
557.23865	1.0
581.23987	0.9
599.24872	40.7
600.24927	2.2
631.27478	100.0
632.27814	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	791.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	2.6
55.05499	4.2
57.03407	3.0
59.04977	2.0
61.02885	2.2
63.77572	1.5
67.05488	8.1
69.03415	6.7
69.07054	6.9
70.06581	11.9
71.04971	6.4
72.04483	2.9
73.02902	5.6
79.05476	6.5
81.03406	5.5
81.07037	10.7
83.04964	7.2
83.08594	1.9
84.04479	7.2
84.08116	5.3
85.02887	22.7
85.06520	2.2
86.09689	4.4
89.06001	3.1
91.05475	12.4
93.07035	14.5
94.06558	3.2
95.04926	5.2
95.08600	9.6
96.04464	2.3
97.02876	5.5
97.06516	2.6
97.10165	2.0
99.04431	2.9
99.65031	1.4
103.03970	1.7
103.05470	3.8
105.07032	10.4
106.06546	9.9
107.04926	3.7
107.08578	4.9
108.08100	2.4
109.02880	4.8
109.10137	7.0
109.10945	1.6
110.03709	1.7
110.07163	1.7
111.04436	4.7
111.08061	2.6
115.03898	2.1
115.05428	2.6
117.06985	3.4
119.08553	11.3
120.08068	6.3
120.08819	1.6
121.06478	4.1
121.10126	8.8
122.06007	5.9
123.04395	2.0
124.07566	44.0
125.05967	2.7
126.05434	2.7
127.03899	6.3
129.05432	5.0
131.04898	3.7
131.08540	5.9
133.06439	2.7
133.10098	5.5
134.05981	5.0
135.08017	2.5
135.11522	1.6
136.07523	8.3
137.05940	14.1
137.09583	3.0
139.11182	1.6
140.07104	2.8
145.02849	2.3
145.04961	2.0
145.06400	2.5
145.10083	5.3
146.05988	18.2
147.04417	3.0
147.06717	5.6
147.07974	3.4
148.07552	12.7
149.05893	3.7
149.09554	2.4
149.13148	1.9
150.05447	3.0
151.03815	2.6
151.07516	3.7
152.07007	3.5
153.05466	2.3
157.10097	1.8
160.07541	1.9
161.05927	2.8
161.09618	2.5
162.05472	4.0
162.07597	37.1
163.06247	2.2
163.07732	3.6
163.11110	3.1
164.07036	9.4
165.05528	2.0
165.07832	14.7
165.09140	3.9
166.08612	3.9
167.06999	19.9
172.03960	8.0
173.05992	3.4
174.05418	16.0
174.06628	1.8
175.07486	3.1
176.07056	21.5
177.05418	3.7
177.09090	1.9
181.04988	10.6
187.11176	2.4
187.14717	1.9
188.07045	2.8
189.09045	2.7
189.75665	1.8
190.04901	8.4
191.05609	3.8
191.07101	2.7
192.06491	3.8
193.08714	2.3
204.06552	16.6
206.08124	5.3
207.06526	3.1
208.09662	3.5
210.11523	3.1
217.19467	1.6
219.10205	1.7
222.07674	1.8
223.12221	4.4
225.10220	4.4
225.13898	2.2
226.10675	2.3
227.11774	6.4
235.12236	2.9
237.10190	18.5
238.10965	3.9
239.11763	3.2
240.08768	2.0
241.09586	3.0
245.12849	2.4
246.07518	2.1
248.09428	4.5
249.10152	15.8
250.10854	4.2
251.08104	2.9
251.11769	18.0
252.08760	2.6
253.09621	2.4
253.13417	2.2
255.11278	5.7
257.12939	1.8
261.10168	4.7
262.10965	5.7
263.08707	2.5
263.11652	21.9
263.14066	2.8
264.09778	1.9
264.12500	11.8
265.09692	7.9
265.13330	19.4
266.10428	1.9
266.14072	7.2
267.11203	7.3
269.12802	28.7
271.14334	15.2
275.11786	2.2
276.08728	3.4
277.09705	17.3
278.10458	24.1
279.07999	2.3
279.11246	50.0
280.08078	11.8
280.11426	3.3
283.10684	6.2
285.12415	10.2
287.13855	6.4
290.10587	3.1
291.11139	12.3
292.08548	2.4
292.11954	6.2
293.09268	3.8
293.12756	27.2
294.11838	7.4
295.10522	8.4
296.11334	8.3
297.12241	21.5
303.04758	2.2
303.11130	2.1
305.09164	2.4
308.11569	2.1
309.12280	38.8
310.09369	3.3
310.12988	14.8
311.13791	4.3
315.04944	5.4
315.13330	7.4
318.09909	3.3
319.10706	3.4
320.11273	2.2
321.12152	10.2
322.09134	19.7
322.12573	2.8
323.09949	5.5
323.13434	1.9
324.10974	3.8
325.11353	2.1
329.14822	5.6
335.10294	4.3
336.11093	8.1
337.11725	39.8
338.08664	4.4
338.12512	32.9
339.13333	14.2
340.10220	43.5
358.15265	1.8
359.10367	1.8
369.14240	4.8
370.15192	3.4
384.13342	2.0
386.14966	3.1
398.14764	4.1
400.16556	4.8
414.18140	1.8
416.15182	3.5
417.15338	3.9
418.17303	2.7
425.13177	2.7
440.15970	3.5
443.14276	4.1
445.15961	80.8
446.16443	2.9
451.11374	4.6
452.12073	3.0
453.12772	12.1
454.13446	2.5
458.17065	7.0
459.17831	2.6
460.18500	5.3
461.15121	2.0
462.20108	34.8
463.16989	27.5
463.37961	1.7
465.12772	1.9
467.14233	5.4
468.15253	2.5
470.13647	2.5
471.13770	19.6
472.14581	7.0
473.15634	4.5
483.13675	8.1
484.14423	4.0
493.12268	4.2
495.13885	5.3
500.61893	1.8
511.13400	30.6
512.13922	5.8
513.14862	28.6
543.15796	4.5
545.17786	15.3
583.25354	18.9
590.21307	3.2
592.22467	7.6
596.22296	3.8
613.22314	2.6
616.19012	4.8
634.20056	27.1
635.20587	2.9
636.21753	34.2
637.22156	4.3
638.23071	7.9
668.24286	19.3
715.29565	15.3
741.27411	12.1
759.28540	100.0
760.28363	4.9
791.30615	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	790.5869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	1.8
57.03429	0.5
57.07064	100.0
58.07388	0.5
58.63955	0.3
59.04989	22.2
64.49593	0.4
67.05489	1.4
69.07051	2.7
70.04388	0.3
71.08618	68.6
73.02900	0.8
73.06549	2.2
79.05482	1.3
81.07043	1.4
83.08607	1.9
84.08136	0.4
85.06538	0.5
85.10168	58.6
87.04453	12.3
89.06015	68.1
90.06391	0.4
91.05466	0.9
91.07574	0.8
93.07027	1.7
95.04943	0.8
95.08599	0.7
97.06480	0.6
97.10148	2.1
99.11713	12.8
101.05982	0.6
101.09627	1.6
103.07555	0.7
105.07031	0.7
107.07049	2.5
107.08577	1.0
107.22373	0.3
109.10129	0.7
111.06334	0.3
111.11670	0.8
113.05963	0.6
113.13271	5.3
117.06935	0.3
117.09112	6.3
119.08588	0.6
121.10142	0.5
129.09100	0.4
130.08617	3.9
131.07019	5.1
131.08569	0.3
133.08577	55.1
141.16385	0.5
145.10072	0.4
147.10196	0.8
147.29274	0.3
151.09688	0.5
155.08472	0.3
155.17924	9.6
159.11644	0.4
161.11678	1.2
173.11781	0.4
175.09633	3.9
175.13309	0.4
177.11192	25.9
179.12700	0.5
181.14264	0.3
191.12709	0.5
195.12172	0.5
201.11180	0.4
213.22084	19.2
219.12251	1.8
221.13803	5.7
223.15341	0.7
237.13300	0.6
239.14786	1.4
254.24710	1.2
263.14807	0.4
265.16418	1.2
271.26276	8.3
275.19998	0.7
283.17471	2.8
309.18939	1.4
315.28653	0.6
327.19971	1.6
335.25677	0.7
336.25885	0.7
349.23636	0.7
350.23898	0.5
353.21442	1.2
371.22546	0.7
397.24133	0.7
415.25287	0.6
441.26712	0.6
459.27908	1.6
485.29367	1.0
503.30539	11.8
543.33722	2.4
561.34094	1.4
579.94733	0.4
601.37250	0.7
610.44897	1.0
632.08514	0.4
660.05457	0.4
773.54718	1.3
790.58777	9.8
791.44757	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05483	2.1
55.17744	0.4
57.03426	1.8
57.07066	100.0
58.07390	0.6
59.04992	43.1
66.83956	0.4
67.05495	1.7
69.07056	1.9
69.35803	1.6
69.36230	1.9
71.08620	96.2
72.08951	0.6
73.02885	0.7
73.06549	1.7
74.09680	0.4
79.05474	1.1
79.42049	0.4
81.07043	2.0
83.08606	3.2
85.10168	86.4
86.10461	0.5
87.04456	10.8
87.08083	0.5
89.06017	54.0
91.05457	0.9
93.07033	1.2
95.08572	0.8
97.10142	1.4
98.21212	1.9
99.11713	10.6
101.05981	1.1
101.09642	4.0
103.07561	1.9
105.07008	0.5
107.07048	2.4
107.08572	0.8
111.11659	0.5
117.06985	0.6
117.09113	13.0
127.57563	0.4
130.08629	3.0
131.07028	3.5
133.08582	45.4
134.08896	0.6
135.10124	0.6
141.16357	11.3
147.10135	0.7
150.93163	0.4
158.11673	0.7
158.52126	0.4
161.11639	0.7
173.11716	0.6
175.09685	2.6
177.11198	18.3
199.20535	28.0
200.20872	0.7
219.12245	0.9
221.13780	4.5
237.13322	0.6
239.14806	1.4
240.23131	2.4
257.24707	30.0
265.16376	1.1
283.17450	2.3
287.58878	0.4
288.70685	0.4
309.18878	1.2
315.28729	1.5
327.20001	1.3
335.25540	0.7
336.25757	0.7
353.21439	1.1
371.22424	1.0
407.94608	0.4
415.24927	1.8
441.26770	0.5
459.27869	12.0
499.30447	1.7
517.32281	2.2
557.34717	1.2
609.04602	0.4
615.39063	0.7
657.13684	0.5
773.55127	0.5
790.58759	8.7
791.43835	1.8
819.04022	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.0
55.05502	6.6
57.03415	2.7
58.09511	0.8
59.05008	0.9
61.02904	1.4
64.73353	0.8
65.03915	1.1
67.05495	19.1
67.87583	0.8
69.03410	1.6
69.07056	5.9
69.49814	7.4
70.06570	1.2
71.04974	1.6
79.05479	15.2
81.07040	18.6
83.04967	1.8
83.08595	3.9
85.02875	2.7
85.06519	1.7
91.03912	2.3
91.05460	21.3
91.29385	0.8
93.07029	18.1
95.04948	2.4
95.08038	1.2
95.08593	13.7
97.02888	1.6
97.06493	2.0
97.10139	2.2
103.05474	1.1
105.07010	17.8
107.04914	1.9
107.08572	8.3
109.06474	2.8
109.10133	4.5
111.08068	1.1
113.06014	0.8
115.05372	0.9
117.06996	10.0
119.08566	14.0
121.06480	2.6
121.10138	7.2
123.08035	1.5
127.03886	0.8
128.06210	1.3
129.06976	7.1
130.81499	0.9
131.08545	22.4
133.06464	2.0
133.10121	10.2
135.08005	1.9
135.11630	2.8
137.09624	1.7
141.06918	2.9
143.08521	9.0
145.04984	0.9
145.06454	1.6
145.10100	11.2
147.07986	2.7
147.11659	2.3
149.09613	2.5
155.08504	4.2
157.10109	6.4
159.08035	1.7
159.11688	5.5
161.09468	1.2
161.13228	1.1
167.08528	1.0
169.10088	5.4
171.11656	5.2
173.13254	3.5
175.11073	0.8
177.12747	0.9
181.10103	1.8
183.11649	3.7
185.09662	0.9
185.13216	2.8
187.11066	1.2
187.14810	1.2
192.14967	0.8
193.10049	0.9
195.11693	2.6
197.13197	3.0
199.14786	1.3
201.12630	1.0
209.13197	1.8
209.20874	0.9
211.14767	2.3
213.12659	1.5
223.14839	1.9
225.16376	1.4
227.14229	1.2
233.15266	0.9
245.15265	1.1
247.16905	1.4
255.17253	1.2
259.16925	1.1
261.18365	1.1
292.20886	0.8
325.25165	2.8
335.23676	2.1
343.26263	3.3
353.24744	9.8
354.18680	0.8
371.25699	9.0
389.26782	10.7
427.28372	2.0
445.29407	100.0
446.29758	3.7
463.30447	68.1
464.31036	1.7
528.30084	1.0
740.31348	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.6079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.8
57.03429	2.2
57.07067	100.0
58.07408	0.9
59.04992	39.8
60.08154	2.3
67.05499	0.9
69.07067	2.5
71.08620	70.3
71.53494	0.6
71.53968	0.7
81.07050	1.2
83.08614	3.3
84.08139	2.9
85.10170	58.5
86.09692	7.3
86.10501	0.9
86.55090	0.7
87.04452	4.2
88.51105	0.8
89.06017	19.8
95.08623	0.9
96.09027	0.7
97.10146	3.0
99.08098	0.8
99.11722	11.2
101.06003	1.2
101.09637	3.3
103.07589	1.0
107.08598	0.6
111.11723	0.8
113.13261	3.7
115.07561	0.9
117.09113	14.0
124.99961	4.5
130.08630	6.4
131.07054	1.7
133.08582	16.8
136.06168	7.6
155.17917	11.6
155.19073	0.9
175.13374	1.4
177.11209	6.6
177.12500	0.8
184.07310	23.4
213.22104	26.0
214.22586	0.9
219.12189	1.0
221.13889	1.0
239.15004	0.9
254.24913	2.3
271.26285	30.0
272.26855	0.9
327.20050	8.5
327.23312	0.8
329.30460	3.1
367.23651	0.7
372.49838	0.7
385.24274	3.0
443.28860	1.3
447.84677	0.7
554.38538	0.6
563.39343	1.8
644.20361	0.6
690.46661	0.7
788.61700	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	785.3934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01781	2.5
55.05420	8.6
55.05714	1.7
57.03344	4.8
59.04937	0.8
60.04440	0.6
61.02829	16.7
61.03175	2.4
65.03840	1.7
67.05405	17.4
67.05804	2.2
69.03327	5.9
69.03729	0.7
69.06966	8.2
69.07374	0.9
70.06486	1.4
71.01244	0.9
71.04889	3.7
71.51754	0.8
72.04427	1.0
73.02810	7.6
73.03251	0.7
75.04409	0.5
79.05379	15.0
79.05888	1.4
81.03310	3.2
81.06942	19.2
81.07452	1.7
81.07741	0.7
83.04868	4.8
83.08503	5.2
84.04387	1.4
84.08061	1.0
85.02789	23.1
85.03361	1.7
85.06428	2.0
86.09595	0.8
91.03835	10.3
91.05361	25.5
91.05988	1.7
93.06923	20.8
93.07551	1.4
95.04956	5.1
95.05495	1.0
95.08588	13.7
97.02873	13.4
97.03432	0.8
97.06412	3.5
97.10144	2.9
98.05933	0.7
99.04337	2.1
99.08005	1.0
103.03818	0.7
103.05339	1.5
103.45295	0.5
105.07011	19.7
107.04932	4.5
107.08571	9.7
109.02767	1.3
109.06515	3.9
109.10139	6.2
111.04313	2.1
111.07950	2.0
115.03809	1.7
115.05331	2.1
117.06999	16.5
117.07751	0.7
119.04776	1.6
119.05597	0.5
119.08559	12.9
120.08833	0.6
121.06480	3.8
121.10118	8.8
122.10300	0.5
123.04300	1.0
123.08042	3.2
123.11606	1.4
125.05872	0.7
125.09498	1.8
126.05402	0.9
127.03894	5.4
127.07433	0.6
128.06192	3.7
129.05345	1.1
129.06987	19.6
130.07574	0.6
131.04802	2.2
131.08545	23.9
133.06483	4.5
133.10098	8.1
135.08051	4.1
135.11688	2.6
136.06020	0.5
137.05907	1.2
137.09460	1.9
139.11108	0.8
141.06966	7.9
142.07576	1.9
143.08533	17.3
144.06448	1.0
144.09135	0.5
145.04948	4.6
145.06433	4.9
145.10100	11.1
147.08015	5.9
147.11662	2.5
149.09586	4.4
149.13103	1.2
151.11110	0.8
153.06877	1.9
154.07632	1.6
155.08534	13.1
156.09209	0.9
157.06319	1.6
157.10103	10.4
159.08035	3.8
159.11667	6.7
161.05838	0.7
161.09601	2.8
161.13081	1.4
162.07602	8.1
163.06035	3.4
163.07324	0.7
163.11026	1.5
165.06866	2.0
165.09097	2.5
166.07626	1.4
167.07327	0.4
167.08530	6.4
167.10547	0.6
168.09256	1.1
169.08800	0.9
169.10092	10.3
171.07999	2.8
171.11653	7.1
173.09546	2.7
173.11691	1.0
173.13116	2.9
175.11081	2.6
175.14659	0.6
177.12589	2.2
178.07620	1.0
179.08513	3.6
181.10110	6.6
182.10742	0.9
183.07928	1.2
183.11671	6.2
185.09476	2.2
185.13200	5.7
187.11003	1.8
187.14613	1.4
189.08893	0.6
189.12622	1.3
189.16357	0.7
191.08459	0.8
191.10468	0.6
193.10049	2.7
195.07939	0.6
195.11661	7.1
197.09470	1.3
197.13234	4.7
199.11064	1.6
199.14671	2.1
201.08794	0.7
201.12584	1.7
203.14163	1.4
203.17801	0.7
205.12149	1.2
206.10808	0.8
207.11676	3.4
209.13274	4.0
209.14966	0.9
211.11203	2.4
211.14809	2.7
213.12758	3.1
213.16208	1.7
215.12383	0.7
215.14398	2.8
217.12076	0.7
217.15805	1.3
219.11562	1.5
219.13660	0.9
221.13208	4.6
223.14758	3.7
225.12596	1.8
225.16280	1.6
227.14232	1.6
229.13977	0.5
229.15906	0.7
231.13725	1.1
231.17358	0.7
233.13094	1.2
233.15292	0.5
235.14816	3.1
237.02731	0.7
237.12619	1.0
237.16319	1.5
238.13210	0.5
239.14330	4.0
241.15941	1.0
243.13728	0.9
245.15280	0.7
249.16402	0.7
251.14229	0.8
253.15865	2.5
255.17450	0.9
257.15240	2.3
259.16879	1.3
267.17413	0.7
269.15192	0.6
271.17032	3.3
273.18402	0.7
275.16287	0.7
285.18518	1.3
294.11618	1.6
295.15475	1.0
295.24106	0.7
305.22479	0.7
313.16534	0.7
315.20819	1.2
323.23535	3.2
333.22131	7.7
341.24667	3.9
351.23120	22.3
352.23267	1.5
359.25967	0.6
369.24149	18.9
387.25186	12.3
388.25391	0.7
389.24805	0.7
407.25952	1.0
425.26740	6.3
433.29440	1.7
443.27844	100.0
444.28247	5.2
461.28900	76.4
462.29205	2.8
473.28720	0.7
485.28931	2.4
503.29932	2.9
551.30530	0.8
569.30920	1.8
587.32074	2.2
605.33215	3.4
623.34149	2.6
734.39478	0.6
785.39160	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.0
55.05482	1.2
57.03432	1.7
60.04517	2.3
61.02918	1.1
65.03924	1.1
67.05492	3.0
68.05015	2.4
69.03412	4.1
69.07057	7.4
70.06574	4.2
72.04515	4.8
72.08144	1.5
73.02912	6.7
79.05492	2.0
80.04996	1.9
81.03394	2.1
81.07056	2.9
82.02929	1.0
84.04491	5.6
84.08134	3.4
85.02899	7.1
85.04810	1.0
86.06013	1.5
86.09707	2.7
91.05444	1.7
93.05788	1.3
93.07019	3.5
94.06558	12.0
95.04965	3.3
95.08578	1.9
96.04478	3.7
97.02877	4.1
97.06498	1.1
98.06029	2.3
98.21464	2.1
105.06994	4.3
106.06553	4.1
107.04934	1.8
107.08593	1.9
108.08110	2.7
109.10114	1.1
112.07581	3.7
114.05538	1.2
115.03906	1.8
116.07076	1.2
118.06538	2.1
119.08564	2.2
120.04415	1.5
120.08089	3.8
122.06005	40.4
123.04427	3.2
124.07588	2.5
126.05495	2.9
127.03859	2.6
130.08615	1.2
133.10156	1.3
134.05984	17.8
135.04378	0.9
136.07558	7.3
137.05940	3.1
138.05481	2.5
138.09160	1.0
140.07036	70.9
141.07576	0.9
142.08656	1.3
144.04413	3.1
144.06544	4.7
145.04993	1.2
145.06696	0.9
145.10020	1.0
146.05984	22.1
146.07928	1.0
147.04388	1.4
147.06776	3.9
147.11760	1.1
148.07526	12.0
148.08510	1.1
150.05449	2.6
150.09174	1.7
152.07043	4.3
154.08591	1.3
160.07542	1.7
162.05597	7.6
162.07594	65.1
163.07927	8.4
164.07039	7.5
166.08594	7.4
167.06975	2.5
169.10086	1.0
172.03886	30.6
173.04692	4.5
174.05473	42.0
174.09081	1.3
175.06297	1.3
176.07037	100.0
177.05492	1.3
177.07654	1.6
178.04965	1.8
178.08598	1.9
180.06514	2.3
186.09091	1.5
188.07069	4.2
190.04987	11.5
190.08617	1.6
191.05725	6.3
192.06532	9.3
193.07253	4.9
194.08092	16.3
196.09778	1.0
199.12343	1.3
200.07071	1.4
200.09406	1.7
202.08549	2.0
204.06525	47.1
205.06845	1.5
206.08090	13.6
208.06027	2.3
208.09656	20.4
210.07497	2.1
211.12317	1.8
216.06615	2.1
216.10225	2.5
218.08037	2.6
220.06004	1.3
222.07553	16.1
223.12228	1.5
224.09171	2.4
225.10133	7.3
226.10849	1.6
227.11800	8.0
228.06477	1.0
229.13368	5.9
230.08168	2.3
232.06203	1.3
232.09525	1.2
234.07629	5.0
234.11549	1.6
236.09161	3.4
237.10135	7.5
238.10793	4.7
239.11707	6.3
241.13365	2.0
243.11195	1.4
244.09651	2.0
246.07564	5.0
248.09239	2.9
249.10118	5.6
250.10809	5.2
251.08031	1.8
251.11783	10.0
252.08830	2.2
252.12573	1.2
253.09962	1.1
253.13316	1.8
254.10159	6.0
255.11319	2.2
257.12851	3.2
258.09848	1.4
261.09897	1.3
261.12344	2.5
262.10864	4.4
263.11746	11.2
264.08777	3.4
264.12509	2.5
265.09717	14.6
265.13318	6.4
266.10406	14.3
267.11227	18.6
268.11819	2.1
269.12848	1.9
271.10748	1.3
271.14374	2.6
272.05405	1.7
275.11502	1.4
275.14020	2.8
276.11020	1.4
277.09680	9.2
277.13199	2.1
278.10294	12.4
279.11194	42.0
280.08466	1.7
280.11884	14.4
281.09552	2.2
281.12805	7.4
282.09540	2.0
283.10699	3.7
284.11600	4.2
285.12277	11.6
287.10928	2.3
287.13855	21.3
289.09723	2.1
290.10455	2.3
291.11182	12.3
292.11929	3.7
293.09174	3.1
293.12842	9.4
294.09238	3.8
294.12192	12.2
295.10733	10.7
295.14554	1.9
296.11343	21.8
297.09055	1.0
297.12253	23.6
298.09854	1.4
298.12900	6.6
299.13840	5.9
302.10309	1.9
303.07977	1.4
303.11108	6.1
304.08554	2.3
304.11923	1.7
305.09146	5.3
305.12808	4.1
306.09894	7.4
306.13153	1.6
307.10718	16.3
307.14151	1.5
308.11475	5.5
309.12259	27.3
310.13013	4.5
311.10516	1.2
311.13843	3.6
312.10721	2.8
313.11752	27.9
313.15314	1.5
314.12268	8.8
315.13452	6.6
317.12784	3.4
318.09937	3.6
319.10727	27.1
319.14075	1.9
320.11459	3.3
321.12244	19.5
321.15948	1.2
322.12997	8.4
323.10184	5.8
323.13879	5.7
324.10999	11.9
325.11719	9.7
326.12399	2.0
327.13403	2.7
331.13257	7.7
333.12326	3.3
335.10080	4.1
335.13834	3.4
336.11029	3.7
337.11768	37.1
338.12558	8.4
339.13333	24.6
340.14059	3.4
341.14926	2.4
345.12097	4.7
345.14490	9.0
347.10123	2.8
347.16214	9.2
349.11627	5.7
350.12585	1.3
351.13397	4.3
352.14221	1.4
352.90131	1.1
353.14954	2.2
356.13788	1.4
357.14697	1.9
358.09314	1.4
361.11563	6.1
363.13574	3.6
364.14151	1.9
365.11234	7.9
365.15015	1.5
366.12094	3.1
367.12704	8.7
368.13300	3.3
369.14331	8.3
370.15317	2.1
371.15924	3.3
372.13226	1.6
373.11551	5.2
375.13211	3.2
377.11234	3.3
378.12415	1.8
379.12769	13.4
381.14450	3.5
382.15100	2.9
383.12048	5.0
384.13297	4.4
385.13785	3.7
386.14960	4.3
389.11169	2.7
391.12860	6.8
392.13242	1.7
393.14365	2.4
395.12161	3.3
396.13004	3.6
397.14066	11.6
398.14612	1.6
400.16492	27.3
401.17075	7.2
403.12839	3.0
404.86224	1.0
405.14395	3.3
407.12396	4.4
408.13257	2.0
409.13812	18.5
410.14587	4.4
411.15463	2.8
415.12744	1.8
416.19540	1.3
418.17499	1.4
419.12225	4.6
419.18076	5.1
421.14008	3.9
423.15552	2.2
425.13123	1.9
426.14014	3.5
427.14810	8.3
428.15500	3.2
429.16388	2.1
431.12393	1.5
433.13974	7.7
434.14526	3.1
437.19205	2.9
439.15051	1.8
441.16513	3.3
442.17377	3.8
449.13226	2.6
450.14005	1.4
451.14954	10.6
452.15692	2.2
460.18555	27.8
461.18750	2.0
467.14258	5.0
468.14691	6.0
469.16031	27.2
470.16742	11.0
478.19656	2.8
480.21204	5.8
482.16165	1.3
483.17426	2.3
485.15527	12.5
486.15866	1.9
487.16989	42.6
488.17569	4.5
501.18518	5.5
502.19455	2.2
508.20633	1.7
512.23938	2.2
517.18018	1.4
518.17950	1.3
519.19586	14.3
520.20648	1.3
524.20154	3.7
538.21875	1.6
544.20624	1.9
548.19812	1.4
556.21887	3.0
560.19934	2.6
562.21716	1.6
574.21771	20.6
575.21967	1.6
590.20996	3.8
592.22888	12.6
593.23297	1.9
601.26422	22.3
602.27661	1.6
606.24286	4.0
608.22278	45.4
609.22815	6.2
610.23792	36.9
611.24408	2.5
622.24268	2.1
624.24884	3.7
626.23334	43.8
627.23724	5.3
628.24866	58.0
629.25427	2.9
633.28986	2.8
640.24854	28.5
641.25842	9.1
642.26355	19.8
658.25720	7.7
659.26477	2.2
660.27386	18.2
661.27448	1.8
677.26056	1.6
695.27155	2.5
731.28271	3.7
749.30078	66.9
750.30426	5.3
781.32581	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	781.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55086	1.0
55.01861	2.3
55.05477	1.6
55.11376	1.2
57.03424	2.1
58.23950	1.0
59.04981	10.3
60.05311	1.6
65.03925	1.4
67.05482	2.8
69.03409	3.7
69.07050	7.3
70.06566	5.3
70.33590	4.4
71.04984	1.7
72.08121	2.0
73.02901	1.7
79.05473	2.5
81.03387	1.9
81.07027	4.4
84.04482	2.2
84.08118	3.3
85.02901	8.4
85.06530	1.7
86.09659	1.2
89.05994	4.2
91.05450	3.3
91.49892	1.3
93.05726	1.8
93.07017	2.8
94.06551	12.8
95.04955	3.3
95.08571	2.6
96.04509	1.1
97.02866	2.9
97.06512	1.5
98.06039	1.2
99.04443	1.9
105.07019	3.0
106.06558	1.6
107.04855	1.2
107.08582	1.7
108.04424	1.3
108.08081	3.7
109.02868	1.3
109.10164	1.5
110.06010	1.8
112.07594	1.7
116.04974	1.5
117.06994	1.3
117.09074	3.2
118.06488	1.8
119.08524	2.8
120.04491	2.0
120.08073	2.9
121.06380	1.1
121.10090	1.3
122.05997	43.7
123.04393	3.5
124.07563	3.6
127.03893	2.4
129.05446	1.4
130.08597	2.2
132.07983	2.2
133.08574	3.0
134.05980	15.4
135.07964	1.3
136.07518	7.5
137.05902	3.3
138.05446	1.3
138.08998	1.1
140.07034	64.9
141.07433	1.4
144.04401	3.8
145.04941	1.3
146.05992	24.7
147.04388	1.9
147.06760	5.6
148.07524	11.1
150.05470	2.7
150.09093	1.9
152.07016	4.0
154.04913	1.2
160.07562	3.3
161.08292	1.2
161.09679	1.6
162.05481	8.1
162.07587	10.6
164.06990	10.8
165.07835	1.5
166.08609	8.6
167.06987	2.6
172.03897	34.6
173.04636	6.6
174.05464	34.8
175.06239	1.9
175.13226	1.1
176.07033	67.2
177.05400	1.7
177.07542	1.5
178.04994	3.2
178.08621	2.4
180.06532	2.6
188.07024	3.9
189.07726	2.2
190.04910	9.9
190.08621	2.4
191.05640	5.8
192.06544	11.1
193.07243	6.4
194.08086	19.8
197.96620	1.3
200.09386	5.8
201.10269	2.0
202.08542	2.1
204.06508	61.4
206.04488	1.4
206.08095	18.2
208.05936	2.2
208.09613	13.0
210.07533	2.7
211.12370	1.4
214.08655	1.4
216.06500	1.5
216.10185	1.5
218.08031	3.4
222.07590	16.8
224.09160	1.7
225.10179	4.4
227.11685	5.3
229.13293	12.2
230.08081	3.4
232.09663	1.5
234.07529	2.7
234.11601	1.6
236.09291	4.8
237.10159	5.1
237.13863	1.2
238.08762	1.7
238.10960	4.6
239.11726	8.7
240.12460	1.7
244.09561	2.4
246.07649	2.7
248.09219	2.1
249.10133	4.2
250.10973	3.8
251.08028	1.3
251.11739	9.2
252.12498	1.3
253.09708	2.5
253.13342	2.6
254.10248	5.2
255.11127	2.1
257.12778	11.7
261.09958	1.9
261.12274	3.0
262.06934	1.6
262.11063	4.0
263.08075	1.6
263.11722	8.9
264.08786	4.7
264.12442	2.7
265.09793	12.9
265.13129	8.4
266.10406	12.9
267.11243	15.5
268.12051	1.6
269.12753	3.0
271.14603	2.2
272.05399	2.0
275.11288	1.8
275.12057	1.2
275.13821	7.9
277.09634	9.1
277.13257	3.1
278.10214	12.5
279.11188	39.3
280.08493	2.4
280.11832	14.7
281.09366	1.6
281.12714	7.7
282.09680	3.6
283.10599	2.4
283.17487	2.9
284.11816	2.5
285.12314	10.7
287.13843	6.6
289.09592	2.1
289.13354	1.3
290.10330	2.4
291.11157	12.0
292.11957	2.9
293.09003	4.8
293.12775	8.1
294.09467	9.2
295.10635	10.0
295.14157	2.6
296.11264	24.5
297.12250	28.4
298.12894	4.8
299.13803	5.0
303.11017	6.3
305.09088	5.0
305.12845	5.0
306.09924	7.4
306.13284	1.9
307.10693	23.4
307.14108	2.8
308.11472	5.7
309.12262	23.1
310.12863	4.2
311.13748	4.3
312.10861	1.6
313.11755	22.3
313.15302	2.7
314.12244	5.8
315.13388	3.3
317.09158	1.7
317.12619	2.6
318.09842	3.2
319.10687	24.4
319.14111	1.7
320.11462	2.7
321.12204	18.0
322.09744	1.4
322.13098	9.3
323.10150	6.1
323.13785	9.3
324.10950	14.5
325.11850	9.3
327.13193	4.3
328.13968	1.5
331.13058	6.5
332.11520	1.5
333.12241	4.1
335.10083	3.2
335.13803	3.1
336.10693	2.3
337.11719	34.7
337.15668	1.9
338.12665	6.5
339.09442	1.8
339.13336	24.0
340.14108	4.7
341.14935	2.5
341.21716	2.2
345.14584	16.9
347.10031	1.5
347.15756	5.0
349.11743	4.5
350.12421	2.5
351.13281	3.2
353.15005	2.9
354.12048	1.9
357.14429	2.0
359.09833	1.4
359.13864	1.4
361.11658	6.6
363.13107	3.3
365.11243	5.3
365.15164	2.7
366.11975	3.5
367.12744	9.8
368.13525	3.8
369.14456	10.1
371.15829	4.9
373.11703	2.8
375.13235	3.8
376.10114	1.6
377.11044	6.9
379.12747	12.4
382.15167	1.9
383.12177	3.6
383.16055	3.1
384.13147	2.2
385.13739	3.2
386.14914	1.9
389.11041	2.0
391.12842	6.9
392.13599	1.6
393.14655	1.8
395.12186	6.5
396.12805	2.4
397.13889	11.3
399.15469	3.0
400.16449	10.4
401.11252	1.3
401.16928	4.1
403.13074	3.9
405.14136	3.6
407.12091	4.0
408.12671	2.7
409.13855	15.0
410.14603	2.1
411.15277	4.1
415.12885	1.9
419.12296	4.9
419.17911	3.0
421.13892	6.3
423.15448	3.9
424.15976	1.7
425.17496	2.0
426.14304	2.6
427.14978	10.1
428.15585	2.7
433.13882	7.9
434.14636	2.2
435.15549	2.2
437.13223	3.0
437.18835	1.6
439.14996	2.6
441.16229	2.9
442.17178	1.8
449.13370	5.2
450.14008	2.0
451.14853	8.7
452.15475	2.4
460.18579	8.1
464.16644	1.3
465.16125	1.5
467.14337	7.6
468.15091	8.1
469.15967	31.8
470.16684	25.3
478.19403	3.6
480.20911	4.9
482.16553	2.2
483.17444	1.8
485.15335	17.6
486.16016	4.1
487.17014	59.0
488.17401	5.1
500.17700	3.5
501.18231	5.5
502.19479	2.2
505.17712	1.9
508.20493	2.5
510.22144	2.2
512.24017	1.7
515.16339	4.8
519.19928	6.5
524.20038	2.8
538.21411	2.0
540.22705	1.8
556.22705	1.8
560.20013	2.0
562.21118	1.8
573.20520	1.4
574.21851	9.7
590.20935	6.5
592.22534	11.2
599.24335	1.9
601.26263	8.2
605.23712	2.2
606.23645	2.2
608.12292	2.8
608.22260	60.9
609.22778	12.3
610.23810	76.6
611.23950	3.8
622.23834	6.3
623.24335	1.6
624.25476	7.9
626.23297	45.5
627.24207	8.9
628.24890	100.0
629.25024	6.2
640.24896	41.9
641.25616	30.3
642.26373	26.0
658.26227	10.7
659.27277	1.5
660.27448	25.3
683.26331	2.0
695.26825	2.7
713.27960	3.0
731.28137	4.7
740.53351	1.3
749.30127	23.9
781.32611	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	779.4529
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	1.6
55.78524	0.4
57.03430	2.4
57.07060	3.1
58.07410	0.6
59.04995	1.5
61.02915	4.6
67.05489	5.2
69.03413	3.6
69.07065	0.9
71.04968	1.6
71.08609	3.1
71.54222	1.0
72.08947	0.7
73.02900	4.6
79.05471	4.9
81.03403	3.9
81.07043	6.4
83.08620	0.9
84.08118	3.4
85.02884	5.0
85.08479	0.6
85.10165	2.5
86.10498	1.0
87.04451	1.4
89.05994	2.9
90.06333	0.6
91.03928	3.2
91.05465	2.2
93.07002	4.2
95.04980	1.2
95.08588	4.0
97.02869	5.1
97.06554	0.8
99.04447	0.9
101.02341	2.5
103.03910	0.7
105.07007	2.3
107.08582	2.7
109.02862	1.2
109.10148	1.1
115.03909	0.6
117.07053	0.5
119.08559	1.4
121.10111	3.1
123.08067	0.5
124.99968	0.6
127.03893	2.3
127.84624	0.4
130.08606	6.5
131.08641	1.5
132.01746	0.6
132.55780	0.5
132.61572	0.5
133.08601	1.8
133.10120	1.4
135.11671	1.2
137.09637	0.6
145.10130	0.8
146.24391	0.5
147.11668	1.2
149.09567	1.0
149.13191	0.4
166.02689	0.5
177.11227	1.0
178.11597	0.7
184.07339	2.2
185.04176	0.7
193.12260	1.1
197.15465	0.5
199.20708	0.5
203.05302	0.5
211.13438	0.6
232.67625	0.5
243.08331	2.4
283.15131	5.9
335.25601	1.1
339.17755	1.3
469.20862	0.7
501.23013	9.2
504.31180	0.5
519.29242	8.1
576.49811	0.5
603.97339	0.5
779.45313	100.0
780.45593	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	780.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01803	1.0
55.05458	1.7
57.03386	1.5
59.04956	1.0
60.04475	0.7
67.05434	2.0
68.04962	1.1
69.03362	2.7
69.06995	1.8
70.06580	4.9
71.04921	2.1
71.07377	1.5
71.07745	0.9
72.04437	1.8
72.08088	1.0
73.02840	2.2
79.05421	2.9
81.03339	2.0
81.07040	5.1
82.06509	0.7
83.04896	1.9
84.04432	2.4
84.08112	3.6
85.02885	3.6
85.06481	0.9
86.09619	1.9
87.04386	2.0
89.05945	2.4
91.05473	3.7
93.07018	4.8
93.66948	0.6
94.06535	0.7
95.04979	3.4
95.08599	3.7
95.09053	0.8
96.04434	1.2
96.08896	0.8
97.02825	1.7
97.06475	0.9
99.04403	1.1
99.08015	0.8
100.07536	0.7
103.05396	0.8
105.07011	4.7
106.06485	1.9
107.04876	1.1
107.08549	3.6
108.04419	0.6
109.10092	3.1
111.04387	1.5
111.08025	0.7
115.03828	1.0
115.07497	0.9
117.06954	1.2
119.04903	0.7
119.08548	5.3
120.08021	1.7
121.06431	1.1
121.10041	2.9
122.05921	2.6
123.04365	0.8
123.07982	1.5
123.11619	1.4
124.07563	12.2
126.05415	1.1
127.03851	1.9
129.05382	1.0
130.08612	3.6
131.04866	1.1
131.08495	1.5
133.06389	0.9
133.08536	1.6
133.10071	3.9
135.07944	1.5
135.11621	1.0
136.06679	0.6
136.07553	9.3
137.05948	7.1
137.09552	1.0
140.06963	2.1
143.08463	0.9
144.06506	1.0
145.02841	0.7
145.04893	1.0
145.10030	2.1
146.05928	3.5
146.09552	1.6
147.04323	1.0
147.07933	1.9
147.11592	1.5
148.07565	4.5
149.05815	0.7
149.09512	1.0
149.13145	1.0
150.05460	0.9
151.07486	1.6
152.06947	1.8
153.05276	0.7
153.09074	0.7
159.11641	1.5
161.05829	1.8
161.09552	1.4
162.05438	1.2
162.07590	18.5
163.07550	1.7
163.11086	1.3
164.07027	19.9
165.09035	1.5
166.08609	19.4
167.07056	4.5
172.03845	2.9
173.09525	1.2
173.13200	1.6
174.05464	3.4
176.07018	6.1
177.05391	1.6
177.11197	0.9
179.06938	2.2
190.04861	1.0
191.05527	1.1
191.10594	0.7
191.14174	2.9
192.06445	0.8
193.08527	0.8
200.06998	0.7
203.06938	1.2
203.92207	0.7
204.06555	3.7
206.08000	1.0
207.06403	0.9
209.15321	1.0
211.12137	1.0
223.12360	0.9
225.10254	0.9
227.11617	1.3
235.12224	0.7
236.09077	1.2
236.12936	0.9
237.10121	5.4
237.13797	2.0
238.10837	2.9
239.11732	5.5
243.11095	1.3
245.12842	1.0
246.07513	0.8
248.09328	1.3
248.26385	0.6
249.10138	4.1
250.10873	4.0
251.11726	9.5
252.12393	1.6
253.09628	0.9
253.13316	2.9
254.10295	0.9
255.11295	1.5
262.06851	0.7
262.10980	0.8
263.11707	14.0
263.14432	0.8
264.08820	1.0
264.12323	3.1
265.09659	7.4
265.13272	33.5
266.13876	2.4
267.11307	1.7
267.14905	0.8
268.12054	1.1
269.12759	3.9
271.10779	1.1
271.14319	2.8
273.12155	0.8
275.11551	0.9
275.47076	0.7
277.09674	4.6
277.12491	0.6
277.87967	0.7
278.10294	1.6
279.11221	34.7
280.11896	4.0
281.12689	2.0
282.13550	1.6
283.11038	1.3
283.14377	2.8
284.11475	1.1
285.12259	1.1
287.13812	2.6
291.11151	8.4
292.11877	2.7
293.12744	7.9
294.11841	2.5
295.10764	9.9
295.14044	0.9
296.11423	2.4
297.12250	17.5
298.12933	2.7
305.14764	1.3
307.10757	1.1
309.12259	52.4
310.12994	23.0
311.10196	1.7
311.13812	29.1
312.14471	6.0
313.11569	2.1
313.15338	2.3
315.13196	2.3
319.10681	8.2
320.11368	1.3
321.12057	2.6
323.15863	2.4
325.11697	1.7
326.12531	0.7
327.12509	0.9
329.15137	0.9
330.15945	1.1
331.16885	0.8
337.11743	100.0
338.12491	41.9
338.15698	0.6
339.13303	19.2
340.13791	1.5
352.14438	0.8
357.14246	1.6
358.15494	1.0
369.14380	29.2
370.15186	9.0
371.15933	10.3
371.22308	1.6
372.16513	0.9
373.13876	1.3
383.84927	0.7
387.16406	1.8
389.23392	0.8
390.45761	0.7
399.15582	1.7
400.16473	2.7
401.13211	3.3
416.16058	2.2
418.17114	1.4
431.17850	0.7
434.16299	1.2
434.20972	1.8
436.16373	1.5
436.22275	29.9
437.22467	0.8
440.15778	1.2
441.17053	0.8
458.16986	3.1
459.17761	2.1
462.13672	1.4
462.20172	21.4
463.20929	0.8
476.18115	2.1
480.21268	16.3
494.22803	98.4
495.23318	4.6
521.17511	1.8
528.22046	0.9
559.25769	2.3
575.28540	2.5
583.25513	4.8
589.78247	0.8
591.28119	2.6
601.26483	6.3
615.28339	1.0
619.27454	52.6
620.27893	2.9
633.28973	1.4
651.30090	40.4
652.30396	3.2
780.28381	0.9
780.45398	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96534	0.4
58.99836	0.7
69.54127	1.4
69.54536	0.7
73.41520	0.3
76.01248	0.3
77.00880	1.0
81.03393	0.4
82.99845	0.6
83.62251	0.3
85.02854	0.4
86.99260	0.3
89.03903	0.3
91.05453	0.6
94.99800	0.6
95.01937	0.5
97.01381	0.3
98.97559	1.2
101.00867	2.5
103.02419	0.6
103.67393	0.3
105.00309	0.6
109.01388	0.3
110.97539	0.4
113.00834	1.6
115.02401	3.3
116.98576	0.7
117.03369	0.5
117.04001	2.9
119.01901	10.9
119.04882	0.7
121.03481	0.8
127.02386	0.8
127.03866	0.3
129.04028	0.4
131.01881	13.3
133.03442	9.3
134.03595	0.3
135.05009	8.0
137.00829	1.0
137.02928	1.7
139.02379	0.4
141.03946	0.8
143.01874	7.2
145.03516	8.3
146.99643	0.4
147.01337	1.6
147.04361	1.5
147.05119	0.6
149.02933	2.5
151.04512	1.6
153.02463	0.3
153.03931	0.4
155.01863	16.9
155.05505	0.7
156.02713	2.4
157.03419	4.1
158.99619	0.6
159.04999	19.5
161.01498	0.5
161.02930	12.4
161.06548	1.0
163.04494	5.5
169.03391	0.8
171.04991	23.1
172.05063	0.4
173.02928	21.4
173.06567	7.4
174.03665	0.5
175.03036	0.5
175.04515	3.9
177.00620	0.6
177.06096	13.4
179.03969	1.1
181.03447	0.6
183.05002	2.6
184.04562	0.5
185.02924	3.3
185.06561	2.9
187.04480	2.5
187.08006	0.3
189.06044	27.8
190.06181	0.8
191.03918	0.7
191.07680	3.2
193.03380	0.5
195.05019	1.0
196.04521	0.7
197.02925	0.7
199.04465	1.0
200.07610	0.5
201.06044	13.8
202.06241	0.5
203.03961	8.7
203.07597	3.6
204.46889	0.4
205.03671	0.4
205.05516	1.2
209.02843	0.9
211.04512	0.5
212.07603	1.1
213.06038	9.2
215.03929	0.6
217.03835	0.4
219.01755	0.9
219.07098	7.0
221.05022	44.5
222.05124	1.0
223.04433	0.5
226.05597	0.5
231.07129	0.9
233.99260	0.4
235.04527	0.9
237.02716	2.1
239.06056	1.3
242.08614	0.4
243.07097	6.0
244.06680	1.3
247.04419	0.4
249.08116	0.5
252.00446	0.5
257.05075	0.5
259.06641	1.5
261.08154	64.6
262.08548	1.7
277.05539	0.7
278.11298	0.4
279.09198	90.8
280.09402	2.7
281.05017	0.5
284.09695	0.6
291.03403	0.5
291.09045	0.4
292.03424	0.5
295.06970	2.7
299.06012	0.7
302.10767	3.1
321.10333	3.7
331.07022	0.4
333.10275	6.2
357.10214	0.6
375.11237	2.3
381.07935	0.5
393.12329	100.0
394.12500	2.5
409.10077	2.6
423.07956	0.6
423.13345	0.4
424.07382	0.4
427.11014	0.6
455.13690	1.5
483.82272	0.3
527.67810	0.4
537.14349	0.5
569.17004	1.4
573.14709	0.7
585.14703	0.8
587.17767	1.4
611.14459	1.9
629.15442	2.0
647.16809	0.4
682.84686	0.5
726.12109	0.4
743.18628	4.3
761.19678	7.8
779.20587	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	778.545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	21.5
55.55733	1.4
56.05027	2.6
57.03430	15.8
57.07062	4.8
59.00221	1.1
60.08140	3.0
61.02914	5.5
65.03912	3.1
67.05495	90.5
69.03418	2.0
69.07059	22.7
70.06567	6.9
71.04969	3.4
71.07376	1.1
79.05481	57.5
81.03385	1.5
81.07041	100.0
83.04967	2.4
83.08604	12.2
83.64570	1.3
84.08121	4.8
85.02884	4.1
85.06557	2.8
86.09687	12.6
91.03966	1.6
91.05466	32.5
93.07030	64.8
95.04945	5.5
95.08593	77.7
97.02882	2.4
97.06514	5.6
97.10162	4.3
98.20808	3.5
99.08035	2.8
103.04587	1.1
105.06309	1.7
105.07010	26.5
107.08575	38.6
107.09294	1.9
109.06485	2.3
109.10139	32.9
109.10836	2.5
111.08070	2.3
116.07077	13.4
117.06985	8.8
119.08560	24.5
121.10130	36.2
123.08051	2.0
123.11669	11.0
124.99950	7.9
129.06947	1.7
130.08617	8.2
131.08563	19.0
133.10107	22.9
135.11674	22.1
137.13220	3.1
139.11124	1.4
143.08557	3.9
145.10106	18.0
147.11671	16.3
149.13223	13.3
151.11037	1.4
151.14761	2.2
157.10136	3.1
159.11659	14.4
161.13213	10.4
163.14821	6.2
171.11652	4.0
173.13232	9.3
175.14758	3.3
177.12715	1.5
177.16335	1.5
184.07309	37.0
185.13261	2.1
187.14795	4.0
189.16360	1.6
199.14760	1.2
201.16434	2.0
203.14412	1.5
211.14932	2.1
213.16429	1.5
215.18123	1.4
217.19469	1.9
227.17952	4.1
229.19456	5.0
231.21022	1.5
241.19455	2.8
243.21065	5.4
245.18985	3.8
247.20546	12.9
249.22101	1.8
259.20566	7.2
261.22070	18.6
317.24915	2.5
319.22574	5.8
321.24185	76.3
323.25729	9.8
327.57022	1.4
333.24219	3.9
335.25742	77.4
337.27371	8.2
359.29584	1.6
452.29233	1.4
457.68585	1.6
507.41705	4.7
525.43274	1.8
529.38464	1.5
581.45563	29.6
599.46466	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.364
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	1.0
55.05495	3.1
56.05008	0.7
57.03420	2.0
59.04984	1.9
60.04525	1.0
61.02896	0.6
67.05492	4.5
68.05010	0.7
69.03410	3.1
69.07056	6.1
70.06582	4.7
71.04965	3.2
71.53397	0.8
72.04492	1.2
72.08130	0.9
73.02886	2.0
75.04472	0.6
79.05474	2.6
80.04993	1.3
81.03391	2.7
81.07037	8.4
81.60693	0.6
82.06575	0.8
83.04958	1.5
83.08599	1.8
84.04485	2.3
84.05322	0.6
84.08125	15.6
85.02892	4.1
85.06517	2.5
86.09685	1.8
87.04453	4.4
88.02203	0.6
89.06023	4.6
91.05464	3.8
93.07030	4.2
94.06554	5.7
95.04939	2.8
95.08578	5.9
97.02873	2.7
97.06498	2.5
97.10177	0.9
98.05983	0.9
99.04407	0.7
99.08057	1.2
103.03905	0.7
103.05420	1.0
105.06995	4.3
106.06586	0.8
107.04906	1.1
107.08559	2.2
108.08099	1.5
109.02865	1.6
109.06505	1.4
109.10107	3.4
110.06003	0.9
111.04424	1.1
111.08028	1.1
112.07587	1.1
117.03382	0.6
117.07021	0.7
117.09169	0.6
119.04891	0.9
119.08559	3.3
119.48753	0.6
120.04433	1.6
120.08100	1.2
121.06496	1.2
121.10120	2.4
122.06005	14.6
123.04407	1.3
123.11703	1.4
124.07565	1.7
125.09578	0.8
127.03876	2.4
129.05452	0.9
130.08606	17.4
131.04941	1.4
131.08565	1.1
133.06474	1.0
133.08554	2.0
133.10115	2.3
134.05981	1.4
135.04390	0.6
135.11725	0.9
136.07568	2.1
137.05951	4.6
137.09576	1.6
137.13170	0.9
138.05476	1.5
140.07036	29.8
144.04385	1.0
145.04942	0.7
145.10120	1.4
146.05981	9.2
146.10460	0.6
147.04384	1.6
147.06744	1.2
147.08020	1.2
147.11659	1.9
148.07550	1.6
149.09660	1.3
149.13242	0.8
150.05473	1.3
151.07558	1.0
151.11163	1.4
152.07016	1.3
153.05327	0.6
154.08635	0.7
155.14307	4.9
159.08070	0.7
159.11642	1.1
161.06006	1.2
161.09532	0.9
162.05489	1.6
162.07568	13.9
164.07076	0.8
165.09123	1.3
165.12743	0.7
166.08597	0.8
167.07068	3.1
167.08333	0.7
169.15778	0.6
172.03902	10.7
173.04599	1.3
174.05472	13.2
176.06949	3.4
177.05461	1.5
177.11176	1.2
178.04890	1.1
178.08649	0.8
179.07011	1.1
181.04961	0.7
181.08507	0.7
190.04939	5.0
191.05716	1.9
192.06485	2.1
197.10710	1.1
199.12334	0.6
204.06522	25.2
204.08449	1.5
206.08089	8.2
206.09830	0.8
207.06496	0.7
208.58081	0.6
209.10669	0.9
211.08696	1.3
212.09323	1.3
216.06648	0.7
216.10399	1.1
223.12273	1.7
224.09315	1.1
225.10229	5.1
225.13951	0.7
226.10887	0.7
227.11739	7.6
235.08586	0.7
235.12241	0.8
236.09398	2.4
237.10181	9.1
238.10962	0.9
239.11714	3.1
240.12625	0.8
241.09703	0.8
241.13341	0.8
243.11287	2.9
244.09705	1.5
249.10204	2.4
250.11026	1.5
251.11736	14.3
252.08865	1.8
252.12457	1.0
253.09663	4.7
253.13452	1.4
254.10332	0.6
255.11258	3.9
261.12402	1.8
263.11731	1.6
264.08969	1.0
265.09677	16.8
266.10333	2.0
267.11218	9.6
267.15881	1.1
269.09030	0.5
269.10010	0.7
269.12814	6.2
271.10718	2.6
278.06564	3.9
278.10239	1.1
279.11188	18.1
280.11826	2.5
281.09125	1.6
281.12762	2.1
283.10632	5.7
284.11496	3.8
285.12256	7.2
287.13821	15.6
290.10675	0.6
291.11270	0.9
293.09134	13.9
293.12357	1.0
294.09848	2.8
295.10715	13.6
296.11273	1.2
297.12228	7.4
298.12805	0.7
301.12048	1.2
307.10715	5.8
309.12234	6.2
311.10254	2.4
312.11136	1.8
313.11728	23.4
314.12604	1.0
315.13580	0.8
316.14413	2.7
323.10312	1.1
324.11093	2.2
325.11743	27.0
326.12573	1.5
327.13126	0.8
328.14496	0.7
329.11618	1.3
329.15359	1.3
330.12323	0.9
330.15952	2.1
331.12866	6.5
331.16711	1.6
333.26254	1.0
335.10184	14.7
336.10745	0.8
337.11929	2.1
341.11426	1.0
342.12473	1.9
343.12961	1.4
344.17636	2.5
345.14395	11.1
351.27374	1.8
353.11234	68.6
354.11954	5.5
354.16074	1.1
355.12714	3.0
356.13882	1.8
357.14536	2.4
358.15451	4.4
359.15714	0.6
363.15561	2.2
367.12897	1.0
369.14868	1.0
370.15683	1.0
371.12189	1.2
372.17023	1.9
383.12646	0.9
384.13202	4.5
384.17426	0.7
385.13904	10.1
386.14575	3.3
388.16672	1.1
390.17932	2.1
391.18909	1.0
398.14783	5.9
399.15720	9.6
400.16467	16.6
401.17160	1.1
402.13934	0.9
414.18274	2.9
415.18887	0.8
416.15823	1.4
417.16776	4.2
418.17520	5.2
430.17807	1.4
431.18695	1.3
440.15869	3.7
441.16434	1.1
442.16821	0.7
444.16223	0.9
458.17010	14.9
459.17725	8.8
460.18314	2.0
466.19376	1.5
476.17859	0.9
490.19565	2.2
494.19122	56.1
495.19601	2.7
495.35312	1.1
498.22031	1.7
512.20233	7.3
526.21741	100.0
527.22137	6.4
549.36279	0.9
552.19397	1.1
557.23724	1.4
584.22217	2.5
599.24872	62.5
600.25165	4.6
617.25757	1.6
631.17004	1.5
631.27496	30.8
632.27991	2.1
778.42334	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.9
55.05490	2.1
56.05019	0.7
56.29321	0.6
57.03421	1.8
57.07043	0.6
59.04983	2.9
59.78207	0.5
60.04526	0.7
67.05496	3.7
67.82300	0.5
69.03413	3.8
69.07049	3.7
70.06573	3.3
71.04980	3.3
72.04489	2.8
72.08138	0.6
73.02899	2.2
75.04462	2.3
79.05478	2.4
81.03405	2.3
81.07040	6.7
82.06570	2.9
83.04986	1.4
83.08600	2.1
84.04485	3.9
84.08141	1.3
85.02886	6.3
85.06528	1.0
87.00821	0.8
87.04464	1.4
89.06010	4.7
91.05466	3.5
93.07030	5.1
94.06540	2.6
95.04968	1.2
95.08590	7.8
96.04461	1.3
97.02860	3.7
97.06505	1.1
97.10155	0.8
98.06030	1.1
99.04429	1.1
100.07605	3.0
103.05463	0.6
105.07010	2.5
106.06562	0.9
106.07285	0.6
107.08586	3.3
108.08099	1.2
109.02829	1.1
109.06493	0.8
109.10143	3.3
111.04432	1.0
111.08070	0.7
112.07596	0.7
117.06986	1.0
117.09109	1.4
118.06550	0.7
119.08580	4.6
120.08101	1.1
120.31262	0.7
121.06460	0.9
121.10116	3.2
122.05998	8.8
123.04390	1.0
123.11740	0.8
124.07607	0.8
125.05994	0.9
125.09703	0.7
126.05515	1.5
127.03896	2.4
128.07069	1.5
129.05476	1.1
131.08574	0.9
132.01123	0.5
133.08588	2.1
133.10126	1.0
134.06006	1.0
135.11668	1.8
136.07558	7.1
137.05978	2.2
137.13245	0.6
139.11176	0.8
140.07025	15.4
143.08583	1.1
144.04430	0.7
144.06561	1.6
145.04956	1.4
145.10095	1.3
146.06001	7.4
146.08075	7.7
147.07973	1.1
147.11682	1.0
148.07558	6.0
149.09608	0.7
151.11136	0.6
152.07056	2.0
155.14328	0.8
157.10133	0.8
159.11728	0.9
161.09583	0.8
162.07590	30.4
163.07889	1.4
164.07039	9.6
165.09143	1.5
166.08583	9.6
166.09697	0.6
167.07018	1.6
167.10654	0.8
169.15808	0.6
172.03894	4.8
173.13284	1.1
174.05484	4.9
174.09154	1.1
176.07028	9.9
177.05489	0.9
177.11247	0.9
183.11803	0.6
187.14839	0.8
189.12718	0.6
190.04961	3.5
191.05756	0.9
192.06447	1.3
193.08574	0.6
194.15128	0.7
201.16440	0.8
204.06517	9.1
206.08173	1.7
208.09608	0.8
211.12312	0.9
223.12476	0.8
225.10211	1.6
227.11780	0.7
235.12393	1.1
236.13031	0.9
237.10226	3.2
237.13828	1.1
238.10965	4.0
239.11700	5.5
248.09319	1.1
249.10300	2.5
250.11101	1.5
251.11751	6.4
252.12560	0.8
253.09938	0.6
253.13367	1.2
255.11284	1.1
261.12466	1.4
263.11746	8.4
264.08643	0.7
264.12454	1.1
265.09772	4.6
265.13367	19.1
265.30502	0.7
266.10416	0.7
266.13928	1.6
267.11246	3.7
268.11584	0.7
269.12842	1.0
270.13562	0.8
271.14282	6.0
277.09778	2.3
277.13327	1.5
278.10361	1.5
279.11221	58.6
280.11853	6.2
281.12939	2.8
283.10864	1.7
283.14221	1.2
284.11459	1.1
285.12329	2.4
287.13821	10.5
289.15454	2.6
291.11224	5.0
292.11853	1.2
293.12851	4.9
294.11768	1.2
294.13858	0.7
295.10785	4.0
295.14182	1.2
296.11539	2.3
297.12271	38.8
298.13031	5.9
299.13925	1.4
308.13306	5.2
309.12265	32.4
310.13028	13.6
311.13809	4.4
313.11768	3.5
315.13412	0.7
315.19482	0.7
319.10742	4.0
321.12357	5.8
322.13037	0.7
323.10242	1.1
324.11111	2.4
325.11740	5.1
326.12302	0.8
331.12906	2.5
337.11752	56.8
338.12524	25.4
339.13318	58.3
340.13968	4.0
345.14493	2.2
358.15381	0.7
369.14407	11.3
369.18985	0.8
370.15225	3.6
371.15958	21.6
372.16620	1.8
385.13843	1.3
386.15167	0.9
392.19492	0.8
399.15701	2.6
400.16565	2.4
401.17151	0.7
418.17554	0.7
419.18457	0.9
438.20624	1.4
442.17395	2.9
443.17786	0.9
450.20172	1.4
460.18579	25.9
461.19235	2.5
465.18259	0.8
466.19815	0.8
478.19647	14.5
479.20279	0.8
480.21213	2.5
495.35318	1.3
496.20547	1.4
510.22302	33.0
511.22769	2.5
526.21741	0.9
557.28156	0.9
583.24896	1.4
587.11755	0.8
601.26459	100.0
602.26886	6.3
633.29065	53.3
634.29205	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	778.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01828	1.7
55.05446	2.3
57.03379	2.5
59.04945	1.0
60.04468	1.7
64.53870	0.7
65.03893	0.7
67.05496	4.6
68.04970	0.6
69.03410	5.3
69.07047	3.7
69.07332	0.8
69.86941	1.8
69.87355	2.8
70.06577	5.1
71.04972	4.3
72.04490	3.6
72.08088	1.2
73.02900	4.3
75.04448	3.8
79.05470	5.1
81.03340	2.3
81.07043	6.1
82.06553	1.3
82.66412	0.7
83.04980	3.4
83.08576	1.8
84.04465	3.7
84.08054	2.9
85.02888	9.9
85.06500	1.1
86.06015	0.8
86.09644	1.7
87.04391	1.1
89.05968	1.6
91.05447	6.3
93.07031	6.2
94.06490	1.1
95.04955	3.4
95.08585	5.6
96.04443	1.7
96.08047	0.6
97.02867	5.4
97.06464	1.0
98.05997	1.9
99.04404	0.9
99.08046	0.8
100.07522	2.1
103.03862	0.6
103.05392	1.3
105.06999	4.6
106.06500	1.0
107.04886	1.0
107.08552	4.8
108.08003	0.9
109.02807	1.1
109.06455	2.8
109.10142	4.5
110.10384	0.8
111.04352	2.4
111.08044	0.9
114.05461	0.7
115.03847	1.8
115.05383	1.1
115.51638	0.7
117.06966	0.8
119.04896	1.1
119.08543	8.0
120.07983	1.3
120.08825	1.0
121.06425	1.8
121.10127	4.6
122.05972	5.1
123.04356	1.6
123.07996	1.7
123.11591	1.0
124.07571	1.2
125.05926	0.8
125.09586	1.3
126.05405	2.3
127.03825	3.1
128.07031	0.8
129.05380	1.9
130.08577	1.5
131.04848	1.3
131.08409	2.1
133.06464	0.8
133.08519	1.2
133.10042	2.4
134.05965	1.6
135.07950	1.2
135.11581	1.5
136.07561	8.9
137.05942	7.4
137.09540	1.1
138.05408	2.2
139.11086	1.5
140.07036	8.7
144.06573	3.3
145.02765	1.3
145.04927	1.4
145.06407	1.5
145.10022	2.1
146.06010	3.7
146.08026	5.0
146.09186	1.2
147.04356	1.6
147.06465	1.0
147.07933	3.8
147.11578	1.7
148.07458	2.3
149.05899	0.8
149.09525	2.9
149.13240	0.8
151.07520	4.8
152.06973	2.0
153.05385	0.7
157.09981	0.8
159.11621	1.2
160.03711	0.8
161.05898	2.5
161.09531	1.6
161.13158	1.0
162.07591	43.3
162.08888	1.4
163.07727	2.4
163.11095	1.1
164.07007	14.1
165.09016	3.0
165.12708	1.1
166.08580	6.0
167.06985	4.5
167.10605	1.4
168.07310	0.9
169.04901	0.7
171.11603	0.9
172.03902	3.7
173.13199	0.8
174.05420	2.8
175.07487	0.9
176.07019	7.4
177.05359	2.8
177.11122	0.8
179.06941	3.0
180.08595	1.0
187.11061	0.8
187.14673	0.9
189.12610	1.2
190.04959	1.2
191.07082	0.7
192.06380	1.2
203.06956	4.1
204.06541	9.5
204.08430	1.2
206.08089	3.5
207.06425	1.3
207.13734	7.8
208.09615	2.1
209.07774	0.9
224.13171	0.8
225.10130	1.6
227.11745	1.9
231.15889	0.8
237.10172	3.1
237.13745	1.6
238.10883	3.2
239.11717	6.8
243.11253	0.9
248.09311	0.9
249.10234	2.3
250.10927	1.7
251.11749	8.2
253.13260	1.8
255.10974	0.9
261.12396	0.9
263.11761	12.4
264.12497	2.9
265.09659	5.9
265.13235	18.5
266.10281	1.5
266.13583	0.9
267.11066	2.0
269.12839	3.3
270.13559	1.3
271.10629	0.8
271.14212	2.5
276.10641	1.0
277.09836	1.0
277.13223	1.4
278.10339	2.0
279.11200	44.4
280.11948	4.7
281.12766	2.8
282.13550	1.1
283.14087	1.3
285.12088	2.4
287.13715	3.7
289.15393	0.9
290.12109	0.8
291.11215	5.7
292.11865	1.6
293.12781	6.2
294.11578	5.1
295.10809	2.5
295.65527	0.8
296.11526	2.1
297.12265	30.4
298.12881	5.3
299.13968	1.0
308.13312	4.7
309.12265	46.8
310.12976	14.2
311.13843	5.9
313.11621	2.6
319.10626	4.0
321.12195	4.3
323.10327	1.0
325.11835	4.1
325.15237	1.1
327.12463	1.3
329.10745	0.8
331.12796	1.6
337.11728	44.1
338.12476	23.0
339.13306	40.1
340.13770	2.5
341.14740	1.0
345.14493	3.8
369.14371	56.3
370.15070	14.4
371.15918	32.9
372.16357	1.7
400.16467	2.4
418.17682	1.3
419.18454	1.1
438.20087	1.2
441.29761	1.0
442.17575	2.1
443.18195	0.9
450.20203	1.5
458.33203	1.0
460.18646	14.1
461.19333	1.2
466.19397	0.9
478.19666	6.7
480.21097	2.1
492.21136	1.0
498.22089	1.5
510.22253	99.4
511.22656	7.2
526.21490	1.5
599.24518	0.9
601.26447	49.4
602.26733	4.5
607.22241	0.7
617.26532	0.8
633.29028	100.0
634.29352	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	777.5302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	3.3
56.86222	1.1
57.03421	3.3
57.07067	100.0
57.53085	1.1
58.04211	9.4
59.04699	2.3
59.04992	36.2
61.02892	1.5
65.85230	1.4
67.05490	4.8
68.06309	1.9
69.07053	4.6
70.99171	1.3
71.04975	3.8
71.08619	71.7
72.05769	19.7
72.81476	1.2
73.02908	11.5
73.06168	2.6
73.06548	33.4
75.04480	1.7
81.07038	4.2
82.07854	3.1
83.08624	3.2
85.06556	1.3
85.10168	54.5
86.03661	1.6
86.07288	1.4
87.04456	36.6
88.05231	3.2
89.06018	39.6
90.01904	57.1
91.07573	1.5
95.08591	3.1
96.09383	1.8
97.10176	3.7
99.11722	8.4
101.06001	4.7
102.05543	1.7
103.07574	17.9
107.07050	1.6
109.10116	1.4
111.11682	2.2
113.05994	1.9
113.13277	1.6
115.07567	1.6
116.08311	6.4
117.09111	31.4
123.06994	1.5
130.08620	3.4
131.07036	3.7
133.08574	24.7
141.16301	2.1
146.08087	4.0
147.10149	4.4
152.15636	2.7
155.17967	3.3
161.11655	7.2
165.11212	2.4
177.11186	10.0
178.07121	7.5
179.12752	2.4
180.12335	4.0
183.17455	4.4
187.26915	1.3
194.13872	2.2
199.20695	1.7
208.15399	4.0
209.13852	1.6
212.21281	1.6
213.22148	5.4
221.13832	2.3
222.09686	13.5
222.16971	6.0
223.15454	2.5
224.14879	1.8
229.83954	1.4
238.16507	1.9
241.15166	1.7
252.18085	5.1
257.24725	5.0
266.12320	4.7
266.19504	6.9
268.17593	3.5
271.16190	3.6
282.19128	3.5
285.17844	3.6
296.20648	10.9
310.14957	1.5
310.22202	16.2
312.20233	2.7
318.30142	1.8
326.21689	5.0
327.20093	1.4
329.20325	1.5
334.17383	1.4
340.23401	8.3
354.24774	6.5
362.32483	3.7
363.27658	1.3
380.30209	1.7
384.25839	4.2
398.27496	4.0
400.25513	1.5
406.35287	8.6
422.34692	2.1
428.28568	2.8
442.29968	1.5
450.37820	9.8
466.37317	2.9
469.36145	2.5
472.30972	2.7
494.40341	8.9
510.39670	3.2
538.43378	11.4
548.28857	1.8
554.41962	2.9
582.45587	3.6
598.44830	2.7
626.48187	29.5
627.48035	1.7
642.47424	5.1
670.50677	2.4
686.50159	5.4
777.53119	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	776.5709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.5
57.07066	70.3
59.04990	12.1
66.87334	0.5
67.05505	0.9
69.07047	1.4
71.08619	49.5
73.02914	1.6
73.06548	5.4
78.30534	0.4
79.05466	1.1
81.03403	1.4
81.07042	1.5
83.08619	1.0
84.08128	9.0
85.10167	39.8
87.04455	19.9
87.08116	0.5
89.06014	100.0
90.06383	0.6
91.05476	0.5
91.07578	0.8
93.07037	0.9
95.04951	0.6
95.08595	0.5
97.10146	1.7
99.11717	7.1
103.07563	7.4
105.07009	0.6
106.51154	0.5
107.07069	3.4
107.07689	0.6
109.10164	0.6
111.11661	0.6
113.06030	0.7
113.13252	1.9
115.07559	0.7
117.09124	5.0
119.08553	0.6
129.09148	0.7
130.08615	19.3
131.07021	6.8
131.08885	0.6
132.19963	0.5
133.08580	80.9
134.08948	0.9
135.10146	0.9
144.10280	0.5
151.09619	0.7
155.17929	4.8
157.08594	0.6
161.11696	2.0
175.09657	5.8
175.13223	0.5
177.11195	39.4
179.12900	0.5
199.20525	0.6
213.22102	5.4
219.12245	2.8
221.13820	9.2
223.15346	0.9
229.28925	0.6
237.13112	0.7
239.14812	1.9
257.24686	6.2
263.14893	0.5
265.16403	2.5
267.15811	1.2
268.16086	0.7
283.17538	3.3
309.19034	2.1
327.19949	1.8
336.25919	0.9
353.21707	2.4
371.22507	1.0
397.24039	1.0
415.25128	0.8
421.05472	0.5
441.26740	1.0
459.27609	1.2
485.29172	0.7
503.30145	1.8
529.31348	0.9
547.33002	9.7
587.36694	2.2
759.54279	2.2
776.57214	7.6
777.56335	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.5709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	2.7
56.05020	0.7
57.03428	1.1
57.07062	100.0
59.04986	29.5
63.20259	0.4
67.05487	3.2
68.05810	0.5
68.99699	0.4
69.03423	0.6
69.07050	3.0
70.89147	1.2
71.04987	0.5
71.08613	95.3
72.08955	1.1
73.02898	1.1
73.06548	3.4
74.06056	0.6
79.05479	1.8
81.03411	2.7
81.07050	2.6
82.07366	0.4
83.08598	4.2
84.08124	41.4
85.06486	0.5
85.10162	93.4
86.09677	1.8
86.10461	0.6
87.03920	0.9
87.04448	16.7
87.08094	0.8
89.06008	87.3
91.05475	1.2
91.07553	0.6
93.07020	1.8
94.07360	0.5
95.04952	1.8
95.08572	2.0
96.08930	0.5
97.10149	1.8
99.11060	0.6
99.11708	10.1
101.05988	1.0
101.09634	2.7
103.07558	1.4
105.07024	0.9
107.07048	2.7
107.08544	1.0
109.10129	0.9
111.11715	0.7
113.05970	0.7
117.07024	0.5
117.09099	7.3
119.08533	1.0
121.10131	1.0
123.11658	0.5
127.14826	0.6
129.06938	0.5
129.09058	0.6
130.08609	83.8
131.07004	6.0
131.09042	0.8
133.08571	73.8
134.08884	1.1
135.10110	0.9
135.11673	0.7
141.16338	11.6
147.10077	0.9
151.09595	0.7
151.87570	0.5
161.11694	1.1
173.11681	0.5
175.09598	5.8
175.11021	0.7
177.11179	32.7
178.11514	0.6
181.19460	1.2
185.18983	0.5
191.12822	0.5
193.12173	0.6
199.20517	25.8
200.20834	0.8
201.11185	0.6
219.12186	2.8
221.13773	6.9
239.14848	1.8
240.23135	3.0
256.65735	0.5
257.24701	11.1
261.21780	0.5
263.14691	0.7
265.16440	1.3
267.13269	0.6
267.15787	1.5
268.16138	2.0
269.16205	0.8
283.17419	3.3
309.19086	2.1
320.68832	0.4
327.20172	2.5
335.25595	0.9
336.26053	1.7
337.26266	0.9
353.21503	1.6
371.22610	1.8
397.24637	1.1
415.25079	1.7
441.26788	1.0
459.27682	1.8
485.29205	1.1
503.30484	14.8
527.36499	0.5
529.37378	1.3
543.33569	2.7
545.38068	0.7
547.38489	1.6
561.34479	1.4
565.96637	0.5
601.37482	1.0
759.53345	1.2
776.57190	11.4
777.56787	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	3.3
55.05502	39.5
55.14166	1.5
57.03427	19.1
57.07060	7.2
58.95827	1.4
59.04996	2.5
59.20812	1.3
61.02903	3.6
65.03931	4.2
67.05495	100.0
69.03416	4.3
69.07056	16.8
69.98803	1.6
71.01339	1.7
71.04973	6.1
71.08616	4.1
71.54978	1.6
72.13613	1.4
79.05480	41.4
81.03397	5.7
81.07042	59.0
83.04978	5.0
83.08607	17.6
85.02892	16.9
85.06519	4.6
85.10168	1.9
87.04447	9.8
89.06012	3.4
91.05459	22.2
93.06458	2.7
93.07032	43.3
95.04948	8.0
95.08597	45.2
95.45502	1.4
97.02892	4.1
97.06500	3.2
97.10159	21.0
103.03951	2.1
105.07011	16.8
107.08572	23.5
109.06519	2.7
109.10137	58.1
111.08054	2.8
117.07030	7.5
119.08572	16.5
121.10140	20.0
123.08016	3.0
123.11723	3.4
125.09607	20.7
129.06972	2.5
131.08549	10.6
133.10120	11.2
135.07945	1.6
135.11674	13.6
137.09567	3.3
139.11182	2.0
143.08501	2.7
143.10649	5.5
143.36040	1.8
145.10124	8.0
147.11674	8.1
149.09602	2.2
149.13278	7.3
155.08463	1.7
155.10689	4.0
157.10132	2.2
159.11667	5.2
161.13232	4.4
163.11168	6.8
163.14743	2.2
165.12869	1.6
173.11699	16.7
173.13223	6.0
175.14680	2.1
184.07309	1.7
187.14812	3.0
193.12216	2.5
199.13255	12.2
209.11737	1.9
227.12758	6.9
229.14320	52.7
230.14670	1.9
243.21016	4.3
245.13797	2.2
259.20514	1.9
261.22009	14.3
267.15875	5.8
293.74655	1.8
299.23737	1.8
301.16376	16.3
317.24515	2.7
333.24167	2.5
335.25742	80.9
336.26123	4.1
363.25153	3.0
477.35840	11.4
489.35806	19.0
521.25513	1.7
543.36609	4.6
561.37585	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	776.4622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.8
55.05503	56.2
56.08388	0.9
57.03423	5.3
57.07064	20.1
59.04991	14.1
60.04518	1.5
61.02915	2.5
61.46304	0.8
64.76431	0.8
67.05486	8.3
68.99774	1.4
69.03418	17.7
69.07059	53.3
70.06569	3.5
71.04983	8.5
71.08618	9.9
71.53465	1.8
72.04510	4.6
72.08170	1.1
73.02894	7.4
73.06545	1.4
75.04452	2.0
79.05480	5.1
81.03405	14.7
81.07043	19.0
83.04963	12.1
83.08606	100.0
84.04502	6.4
84.08114	1.1
84.08946	2.3
85.02892	32.0
85.06519	2.4
85.10183	1.3
86.03239	1.3
86.09696	1.1
86.63004	0.8
87.00806	8.9
87.04445	7.3
89.06015	78.8
91.05456	8.4
93.07022	16.5
94.07372	1.8
95.04947	4.4
95.08588	17.0
96.04477	3.6
97.02878	10.6
97.06521	1.3
97.10158	67.8
98.06051	1.2
98.10485	1.2
99.04440	7.3
99.08098	2.6
101.06024	1.2
103.03916	4.0
103.05421	1.3
103.07555	2.3
105.01858	5.7
105.07018	6.2
107.04968	1.5
107.07050	2.8
107.08570	6.0
109.02858	11.0
109.06487	1.8
109.10142	9.9
111.04423	9.7
111.08057	1.6
111.11713	13.0
113.05972	1.2
113.09596	1.7
115.03886	3.4
117.07027	1.7
117.09116	3.6
119.08567	11.7
120.08899	1.2
121.06485	2.1
121.10114	11.1
123.04395	1.3
123.08034	1.1
123.11670	6.5
125.13228	2.3
126.05492	4.1
127.03893	16.0
127.11211	0.9
129.05475	3.3
130.08635	2.3
131.04895	4.8
131.07019	3.7
131.08557	4.0
133.08582	61.8
133.10175	2.9
134.08879	1.1
135.08055	1.3
135.11656	2.5
136.17033	1.1
137.05971	2.2
137.09560	2.3
137.13246	4.2
138.05479	1.5
139.07489	1.1
139.14790	5.3
143.08546	2.1
143.14354	1.5
144.06529	2.6
145.04950	4.4
145.10115	2.7
147.02829	1.0
147.08044	4.3
147.10143	1.6
147.11688	1.8
148.08360	1.0
149.06009	1.3
149.09613	3.6
149.13252	2.7
151.07516	1.1
151.11089	1.1
151.14758	1.2
155.14273	1.9
157.10052	1.5
157.15860	1.9
159.02815	2.8
159.11685	2.2
161.09567	1.5
161.13264	1.2
162.07594	49.2
163.07878	3.0
165.09052	5.7
167.10634	1.7
171.11734	1.3
171.17398	1.1
175.09676	3.5
177.11188	33.9
179.17932	3.4
180.08766	1.1
185.13187	1.1
189.12741	1.3
191.12750	2.2
195.12236	2.7
197.19090	3.9
199.11124	1.1
201.18427	1.5
204.08720	3.8
211.20534	3.6
215.20001	6.5
219.12120	1.5
221.13728	8.5
231.05000	3.0
235.15289	1.1
239.14842	14.8
255.23204	6.1
259.22726	1.4
265.16498	2.7
276.10709	1.1
277.14377	1.6
279.17972	3.9
281.13351	1.4
283.17468	39.6
289.09079	2.4
294.11743	10.4
295.12128	1.3
295.15475	2.0
297.18991	12.8
313.12112	1.2
323.20502	5.8
337.22119	2.6
341.18054	1.9
341.21698	8.0
355.23199	4.1
435.32745	1.7
453.33157	1.1
457.32895	2.2
475.33813	1.3
493.37289	70.7
494.37573	3.7
505.17868	4.1
511.38651	16.9
615.62170	1.1
744.29669	1.9
776.45740	1.9
803.87598	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.4
55.05509	8.1
56.71176	0.8
57.03421	5.9
57.07067	100.0
59.04992	52.4
61.02913	2.8
65.03929	0.9
67.05499	16.0
68.05254	0.9
68.05820	3.0
69.03413	1.4
69.07067	8.2
70.64098	2.3
71.04996	1.2
71.08620	90.9
73.02914	1.9
79.01678	1.0
79.05487	15.3
80.05819	2.3
81.03403	1.5
81.07044	18.0
82.07376	3.0
83.04969	1.4
83.08601	9.6
84.08115	1.5
85.02905	2.4
85.06541	1.5
85.10171	96.2
86.10509	1.4
87.04441	6.3
89.06018	27.0
89.38645	1.0
91.05463	11.4
92.05807	2.6
93.07033	18.0
93.64274	0.9
94.07364	3.6
95.04959	2.9
95.08597	15.2
96.08921	2.9
97.02876	2.7
97.10175	3.0
99.08091	2.1
99.11719	11.7
101.05981	1.8
101.09634	5.3
103.07581	2.4
105.07013	12.9
106.07352	3.0
107.08569	8.6
108.08875	1.5
109.06544	1.1
109.10126	6.3
110.10486	1.8
115.07545	1.1
117.07005	3.7
117.09121	18.0
119.08552	11.3
120.08910	2.9
121.10129	7.0
122.10467	1.7
123.11671	2.3
124.12019	1.2
125.00056	1.1
128.06242	1.3
129.06973	3.2
130.08614	4.7
131.08539	6.5
132.08888	1.7
133.08591	20.5
133.10095	9.4
134.10440	2.3
135.11653	4.8
141.16354	10.9
143.08514	2.9
145.10100	5.5
146.10429	1.7
147.11714	6.8
148.11986	2.5
149.13280	2.7
155.17969	1.4
157.10066	3.9
158.10461	1.3
158.11766	1.4
159.11673	5.6
160.12030	2.0
161.11955	1.2
161.13232	5.2
162.13574	1.3
163.14807	1.3
169.10184	1.6
171.11681	2.7
173.11751	1.3
173.13226	3.3
174.13568	1.7
175.09731	1.5
175.13309	1.3
175.14767	2.2
177.11217	8.9
181.10126	1.2
181.19540	1.3
183.11652	1.6
185.13274	2.6
199.14886	1.2
199.20551	29.9
213.22096	1.4
221.13695	1.8
226.16580	0.9
240.23177	3.3
241.19473	3.2
242.19870	2.8
255.23160	1.1
257.18973	1.5
257.24722	39.9
258.19168	1.1
258.24908	1.1
259.20502	7.2
260.20941	4.6
261.22269	1.5
262.22339	1.5
271.20242	1.0
271.26282	1.6
315.28873	4.0
327.20065	8.8
333.24161	4.1
334.24506	3.6
335.25717	9.0
336.26089	8.3
367.23077	2.3
385.24191	4.4
443.28027	1.4
594.45392	2.2
611.46136	3.0
612.46881	18.2
613.46936	1.4
702.47388	1.5
756.50238	1.4
774.58331	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	774.5922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.0
57.03427	2.0
57.07068	100.0
58.07376	0.7
59.04993	37.2
67.05490	0.8
69.07061	2.4
69.45860	1.3
69.46256	4.5
71.08624	71.4
72.08957	0.8
73.02914	0.7
73.06588	0.7
79.05501	0.8
81.07064	1.0
83.08621	2.5
83.35284	0.6
83.75227	0.6
85.10174	60.5
86.10530	1.0
87.04469	4.9
87.19311	0.6
89.06021	26.1
93.07052	0.8
95.08588	0.7
97.10162	3.3
99.11724	11.0
99.12328	0.9
101.06018	0.7
101.09628	3.2
103.07581	0.7
105.69888	0.5
107.07069	0.9
108.64653	0.5
111.11715	0.8
113.13282	4.7
115.07560	0.6
117.09114	12.6
130.08656	1.5
131.07047	1.1
133.08585	20.6
135.10181	0.8
155.17926	11.0
158.11780	1.1
175.09749	0.9
177.11195	9.3
213.22108	23.3
219.12225	0.7
221.13905	1.7
223.15096	0.7
227.35188	0.6
239.14952	0.7
239.19739	0.7
254.24986	2.4
255.23373	1.0
257.10141	0.7
265.16452	0.6
271.26276	27.8
272.26718	0.9
283.17603	1.4
327.20297	1.0
329.30710	1.8
371.22699	9.1
372.22983	0.9
373.87704	0.7
411.25916	1.1
429.26736	3.2
487.31396	0.9
515.56726	0.6
545.34869	0.6
589.27307	0.6
597.55078	0.6
714.34283	0.6
774.59204	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	774.4977
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08587	0.8
55.01849	2.7
55.05258	1.3
55.05500	19.3
57.03426	18.2
57.07048	3.7
59.04983	1.1
59.41624	0.9
61.02901	1.4
65.03914	2.3
67.05490	62.7
69.03410	3.7
69.06712	1.5
69.07052	15.9
71.04962	3.5
71.08597	2.1
73.06527	1.0
79.05474	39.1
81.03400	85.5
81.07037	62.9
83.04970	6.5
83.08598	24.0
83.08953	0.5
85.02883	1.7
85.06519	2.7
85.10156	2.4
87.04435	1.7
89.05996	1.6
91.05461	30.8
93.07022	43.9
95.04353	1.9
95.04948	31.7
95.08587	45.5
96.15379	1.0
97.02864	3.1
97.06490	5.0
97.10144	7.6
99.08111	1.7
105.07002	25.7
107.04949	6.0
107.08571	25.1
109.06470	5.6
109.10133	23.3
109.10757	0.6
111.04404	3.1
111.08064	7.1
114.24342	1.0
115.05398	1.6
117.06970	8.1
119.08551	23.2
120.93265	0.8
121.06483	5.2
121.09303	1.7
121.10123	24.5
123.04420	2.6
123.08048	4.0
123.11678	7.5
125.09584	5.7
129.05498	1.3
129.06973	9.9
130.07616	0.9
130.08597	1.5
131.04854	0.9
131.08533	20.2
131.09505	1.2
133.06459	3.3
133.08571	1.1
133.10110	14.6
135.08018	3.3
135.11658	12.6
137.09610	2.2
137.13223	3.2
141.06921	1.6
142.07771	1.7
143.08531	2.5
145.10097	12.1
147.07996	4.8
147.11661	14.0
149.09595	7.1
149.13246	7.2
151.07451	1.1
155.08482	0.9
157.10078	9.8
159.11684	8.3
161.09561	0.9
161.13223	5.3
163.11145	2.1
163.14787	3.9
165.12714	2.1
169.10069	1.4
171.11641	2.5
173.11943	1.0
173.13217	5.2
175.11154	9.8
175.14803	2.4
177.09088	1.4
183.11777	1.1
184.07416	1.0
185.13251	1.9
187.11183	1.3
187.13365	1.0
187.14827	4.6
189.11157	3.8
193.12199	24.6
199.14784	2.0
205.15715	1.1
207.46506	1.1
208.82939	1.0
211.13191	1.8
213.18378	1.7
227.12772	8.4
233.15317	1.7
235.13097	2.4
243.20984	5.2
249.14784	1.9
259.20389	1.0
261.22079	17.6
267.15854	100.0
268.16354	1.8
279.23132	1.5
283.24066	1.4
285.17175	1.0
285.22009	1.0
301.14276	1.4
301.25119	4.8
309.17175	1.7
317.24683	4.0
325.15518	1.1
335.25732	93.3
336.26080	1.2
336.76160	1.1
417.31647	1.6
421.25546	2.5
435.27133	2.8
435.32489	4.0
449.29028	2.1
453.33569	7.7
463.30786	1.2
471.34491	6.4
509.36105	3.6
527.37207	70.8
528.37439	3.8
533.79706	1.1
545.38257	66.4
546.38611	2.0
559.39856	2.2
569.38226	4.9
577.40991	1.6
635.39020	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	773.5185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.6
55.05263	2.6
55.05502	26.2
56.90299	1.8
57.03433	13.6
57.07065	19.7
59.04979	7.0
60.81767	1.8
61.02914	14.4
65.03916	6.6
65.71969	2.0
67.05128	4.6
67.05492	89.9
69.03410	9.6
69.07050	32.9
71.04972	5.6
71.08616	16.2
71.14040	4.3
73.02888	7.0
79.05482	76.9
81.03406	9.7
81.07040	92.3
83.04941	3.7
83.08604	17.1
84.10764	1.9
85.02880	11.9
85.06525	5.4
85.10164	17.1
87.04444	2.2
89.06001	2.8
91.03937	5.6
91.05463	66.3
93.07027	85.8
95.04952	13.2
95.07983	3.7
95.08590	72.2
97.02886	12.8
97.06499	7.6
97.10147	6.0
99.08043	2.2
103.05398	3.1
105.07013	71.5
105.96386	2.1
106.07343	2.6
107.04932	3.5
107.07873	3.4
107.08572	50.9
109.02787	2.7
109.06467	5.7
109.10148	30.8
111.08029	3.7
117.06998	27.0
117.09086	2.2
118.00055	2.2
119.08558	59.5
121.06489	2.8
121.10132	45.7
123.08027	3.6
123.11672	7.0
125.09676	2.4
127.03872	2.5
128.06165	3.3
129.05493	2.3
129.06998	16.1
131.08551	36.0
133.08560	2.8
133.10106	47.2
135.08063	4.2
135.11661	30.0
137.09523	4.0
141.06927	4.9
143.08508	20.8
145.10088	34.2
147.08035	3.1
147.11635	32.7
149.09560	2.2
149.13228	15.3
155.08517	8.2
156.09276	2.3
157.10114	18.5
159.11655	33.2
161.09540	2.7
161.13205	29.3
163.14789	9.6
167.08496	3.1
169.10117	6.8
171.11661	17.2
173.09639	2.9
173.13235	21.6
175.11140	3.4
175.14819	17.7
181.10126	3.0
183.11665	11.8
185.13231	14.2
187.14743	7.2
188.91696	2.3
189.24890	2.3
191.14314	2.2
193.10098	2.8
195.11644	3.3
197.13220	6.4
199.14792	7.7
199.20558	4.7
201.16350	4.2
203.14252	2.7
209.13252	2.5
211.14822	4.3
213.16435	3.1
215.17894	4.2
217.19527	3.2
225.16254	3.1
229.19514	2.5
231.21021	5.7
239.17863	4.5
241.19516	23.8
243.21120	3.4
257.18893	7.6
257.24698	4.8
259.20535	47.3
261.22076	9.9
275.20007	3.7
283.20535	2.8
301.21600	5.0
313.21948	2.9
315.22995	5.9
331.22556	2.9
333.24179	35.0
335.25754	87.7
336.26010	2.9
337.27277	3.6
345.24335	2.5
346.34406	2.1
367.22647	7.0
370.86069	2.3
403.24774	2.9
413.56970	2.1
421.25824	2.3
437.33240	2.2
441.26056	2.6
519.42053	3.7
541.38916	3.1
593.45599	10.3
609.45264	4.9
611.46558	100.0
612.46478	6.7
623.46179	2.7
635.46320	3.7
677.47064	4.4
689.47479	4.6
701.46600	8.3
719.48450	5.3
737.49115	5.8
755.50159	7.9
773.51648	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	773.5173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01843	2.9
55.05507	31.4
57.03428	17.8
57.07058	9.3
61.02905	11.6
65.03912	3.6
67.05499	88.1
69.03411	9.1
69.07057	23.0
71.04980	4.1
71.08607	6.1
73.02886	4.0
75.59502	2.7
79.05482	75.5
81.03395	4.8
81.07045	84.9
83.04955	3.9
83.08603	9.9
85.02899	11.0
85.06518	3.9
85.10139	4.2
87.04455	4.4
91.03935	5.3
91.05465	62.1
93.07031	87.7
94.39144	2.6
95.04929	12.4
95.08600	65.7
97.02858	7.6
97.06518	7.7
97.10153	3.6
99.08067	2.8
105.07008	61.5
107.04959	3.1
107.08573	47.2
109.06441	4.6
109.10129	30.3
111.08068	4.3
116.57551	3.1
117.07003	19.4
119.08563	54.2
121.10122	36.0
123.08067	2.8
123.11672	8.5
127.03970	3.0
129.05420	4.1
129.07018	16.0
131.08560	34.5
133.10112	45.9
135.11650	22.3
137.13222	3.3
141.06940	3.9
143.08543	21.0
145.10104	30.3
147.11665	38.5
149.09642	3.8
149.13239	12.5
155.08527	5.2
157.08914	2.7
157.10114	14.4
159.11646	29.0
161.13242	24.7
163.14867	7.4
167.90508	2.7
169.10088	4.9
171.11697	14.0
173.13266	17.7
175.14796	14.5
181.10135	5.0
183.11693	9.9
185.13194	14.1
187.14751	8.9
195.11720	3.4
197.13248	5.0
199.14806	9.5
201.16319	3.6
211.14667	4.2
213.16370	6.9
215.17880	4.1
231.20996	3.4
241.19499	25.4
243.21010	6.7
257.18942	7.9
259.20517	52.5
259.23019	3.7
261.22110	7.8
315.23260	4.8
333.24210	38.7
335.25748	87.3
337.27310	6.0
367.22614	4.3
385.23630	5.1
519.41779	5.8
593.45660	13.2
611.46594	100.0
612.46295	3.7
653.46838	3.1
677.47571	4.0
701.47461	6.6
719.48035	3.9
755.49854	4.5
773.51080	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	768.56
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	21.3
57.03429	11.9
57.07072	10.2
58.52374	2.1
61.02927	3.0
63.84483	1.8
65.03914	2.1
67.05491	50.2
69.07059	31.1
70.87205	4.9
70.90818	1.8
71.04949	3.4
71.08606	4.2
79.05054	2.5
79.05477	26.9
80.12630	1.9
80.48595	1.5
80.76066	1.6
81.06580	3.5
81.07043	56.4
83.04961	2.2
83.08601	21.7
84.08141	3.4
85.02887	2.5
85.06557	1.7
85.10172	4.1
91.05447	14.2
93.07017	36.2
94.32597	1.5
95.04949	1.6
95.08588	47.2
97.02877	2.2
97.06507	3.4
97.10133	11.9
104.66437	1.6
105.06985	6.8
107.08581	19.3
109.10134	20.5
111.08070	2.8
111.11664	2.3
117.06992	3.0
119.08549	7.0
121.10105	21.1
123.11715	9.4
131.08554	6.7
133.10138	6.7
135.11653	15.8
137.13228	4.5
139.11154	3.2
145.10081	7.1
147.11656	6.1
149.13226	12.5
159.11673	4.1
161.13205	2.6
163.14792	4.5
173.13200	4.3
177.16338	2.8
179.79892	2.0
184.07312	2.0
187.14699	3.0
202.94235	1.9
211.01419	1.7
219.21025	2.3
237.22087	3.9
243.18738	1.9
243.20898	9.9
244.42349	1.8
261.22079	29.0
309.24026	2.1
311.25732	100.0
312.25952	1.9
317.24551	4.8
335.25735	91.2
337.27322	3.4
344.28064	1.8
414.20456	1.9
519.89227	2.2
571.47107	40.8
589.47815	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	771.502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.3
55.05504	10.4
55.50735	0.6
57.03419	4.6
57.07061	1.9
61.02634	1.0
61.02917	14.3
65.03931	1.6
67.05492	19.9
69.03416	8.2
69.07055	8.7
71.01356	1.1
71.04971	2.2
71.08598	0.8
71.15651	1.7
73.02899	7.2
74.73557	0.8
79.05479	13.8
81.03396	2.7
81.07043	21.0
83.04942	1.5
83.08591	4.8
85.02887	11.9
85.06519	1.2
86.06088	0.8
86.56681	0.8
87.04445	1.5
91.03942	6.6
91.05463	12.7
93.06456	1.3
93.07025	16.8
95.04943	2.7
95.08593	15.9
96.08918	1.1
97.02880	10.2
97.06496	1.5
97.10150	2.6
99.04433	1.2
99.36429	0.7
101.02356	2.4
102.84250	0.7
104.07095	1.9
105.07018	10.9
107.04987	0.8
107.08577	10.3
109.02866	0.9
109.06524	1.3
109.10146	6.8
111.08115	0.8
115.03928	1.1
115.05462	0.8
117.07010	6.3
119.08563	10.5
121.10131	6.0
123.08065	1.7
123.11683	2.0
125.09588	1.0
127.03886	3.1
128.06203	2.1
129.06969	6.4
131.08543	11.3
133.10112	8.1
135.11687	4.3
141.06969	4.0
142.07700	1.4
143.08540	11.1
145.10080	9.6
147.11665	4.8
148.76433	0.7
149.13219	1.9
153.06961	1.1
155.08542	7.8
156.09290	1.3
157.10094	10.3
157.11275	0.9
159.11659	8.7
161.13219	3.2
163.14758	1.7
165.06969	1.0
165.43753	0.8
167.08527	3.6
168.09238	1.0
169.10106	9.7
171.11693	8.2
173.13219	4.4
175.14825	1.3
177.12628	0.8
179.08609	2.0
180.09346	1.1
181.10095	6.2
182.10927	1.2
183.11647	9.8
185.13202	5.9
187.14841	2.3
189.16287	1.2
191.08604	0.7
193.10118	2.0
195.11647	5.7
196.12445	0.9
197.13213	6.9
199.14780	3.1
201.16325	1.6
203.18069	0.8
207.11662	3.7
209.13239	5.3
211.14740	4.8
211.72205	0.7
213.16377	3.0
221.13269	2.5
223.14818	3.0
225.16405	3.1
227.17987	2.0
233.13199	1.4
235.14763	2.4
237.16389	3.2
239.17976	2.2
249.16521	1.1
251.17853	1.8
253.19704	0.8
263.17950	0.9
265.19376	1.0
281.22260	0.7
307.20389	0.9
309.21832	0.9
311.23587	0.9
321.22092	1.1
323.23685	0.9
335.25989	0.8
338.74783	0.8
349.24762	0.9
363.26691	1.6
373.22528	0.8
375.26465	1.1
384.38840	0.8
407.29276	0.9
429.30753	0.8
461.33334	0.8
473.32532	1.5
501.36221	1.0
517.40375	5.8
535.41296	2.3
539.37189	1.4
541.39319	1.0
545.37653	1.4
553.41345	0.9
591.43805	7.6
607.43256	2.0
609.45020	100.0
610.45221	8.0
621.44458	0.8
633.45367	0.9
693.11810	0.8
717.47662	1.0
735.47687	1.1
753.49371	2.1
771.50421	20.7
772.50507	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	773.2119
Annotation	Quercetin 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.01860	0.3
55.05505	0.1
57.03426	1.7
61.02907	0.4
63.18616	0.1
65.03936	0.1
67.05502	0.1
68.99789	0.2
69.03423	1.2
70.06576	0.3
71.01349	0.2
71.04982	8.8
72.05313	0.1
72.08132	0.2
73.02907	0.3
75.04474	0.4
81.03409	0.7
82.62264	0.1
83.01344	0.1
83.04973	0.6
84.04511	0.1
84.08139	0.2
85.02892	13.5
86.03204	0.1
86.09676	0.1
87.04449	0.5
88.02225	0.1
90.11512	0.1
90.85044	0.1
91.03940	0.2
91.05466	0.1
93.03408	0.2
93.06979	0.1
95.04942	0.3
96.33037	0.1
97.02872	1.4
99.04432	0.3
99.08939	0.1
103.03924	0.1
107.04978	0.1
109.02871	0.5
111.00764	0.6
111.04433	0.4
121.02807	0.6
123.04371	0.1
127.03903	1.0
129.05464	3.1
137.02306	2.0
137.03186	0.1
137.05908	0.2
145.04906	0.6
145.06519	0.1
147.06471	0.7
149.02332	0.3
153.01794	2.1
161.06010	0.1
163.03905	0.4
165.01813	1.7
166.02571	0.2
173.05962	0.2
177.05479	0.3
179.34462	0.1
183.02875	0.6
183.04362	0.2
187.03999	0.1
191.03340	0.1
195.02850	0.1
201.05434	0.9
219.02867	0.2
219.06403	0.2
226.21527	0.1
229.04939	3.0
247.05980	0.6
256.13589	0.1
257.04398	2.1
274.04626	0.6
275.05435	0.2
285.03903	1.2
303.04932	100.0
304.05270	2.7
308.09146	0.2
315.05142	0.1
345.06079	0.5
465.10229	30.6
466.10629	0.9
514.10675	0.1
579.21936	0.3
597.22540	0.3
627.15125	0.6
685.65735	0.1
730.24927	0.1
755.25873	0.2
769.27228	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	768.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	3.1
55.05507	0.9
56.05013	2.1
57.03411	3.2
57.72811	0.8
58.99575	1.9
65.03929	0.8
67.01866	1.3
67.05490	1.1
68.05024	3.5
68.99775	3.7
69.03420	1.3
70.02923	1.5
70.06592	4.8
71.04980	16.4
71.53861	1.1
72.08128	2.6
73.02898	1.0
74.02423	1.6
75.04461	0.7
76.02206	2.1
76.03982	2.3
79.05486	1.7
80.04991	2.8
81.03402	1.1
81.07063	0.9
82.06551	2.5
83.04957	1.3
83.06078	9.0
83.08625	0.7
84.04491	26.7
84.08134	2.0
85.02412	1.4
85.02888	17.4
86.06042	0.8
86.99049	0.8
87.04494	0.8
88.02175	1.0
91.05471	1.2
93.07034	1.3
94.02898	0.7
94.06547	0.9
95.04948	11.3
96.04475	3.6
97.02853	1.3
98.06036	3.4
99.04437	1.2
99.05559	5.1
100.03974	1.2
100.07574	1.0
105.07004	1.1
106.06565	0.8
107.04933	1.2
107.06060	5.1
108.04449	6.3
108.06837	1.7
109.02876	5.1
109.07623	19.3
110.02379	0.9
110.06004	4.9
110.07150	1.0
111.00780	2.7
111.04422	6.1
112.03951	2.1
112.07569	3.1
114.00040	1.7
114.05516	2.1
116.01653	3.4
119.04918	0.9
121.06451	0.9
122.05984	0.9
123.04381	0.8
124.02158	1.0
125.07071	1.1
126.05489	4.3
127.03886	8.1
127.04874	1.2
129.05560	1.6
129.06577	7.3
129.10239	0.9
130.04970	13.3
130.08636	0.8
134.05988	1.7
135.05548	2.4
135.07961	0.7
136.03920	8.2
136.06174	1.9
136.07558	2.0
137.02257	1.5
137.05966	1.9
137.07048	1.6
138.98453	0.9
139.03886	1.0
140.01642	0.8
140.03424	1.2
141.04774	1.3
142.04942	2.1
144.01157	1.3
145.02832	1.7
145.06107	3.4
147.04382	1.6
148.07547	4.6
149.05910	0.9
150.09082	2.4
152.01637	2.5
152.07042	1.6
153.01799	100.0
153.06567	14.9
154.02127	1.1
154.04961	3.0
155.08116	14.4
161.04692	0.8
162.02148	4.1
163.03891	1.2
164.01613	6.1
165.00096	1.5
165.01765	0.8
166.98007	1.4
170.02687	1.7
170.97427	2.1
171.07640	0.7
175.03929	0.8
176.03354	1.4
176.06998	3.4
177.01851	0.8
177.05440	2.7
178.08580	7.7
179.03365	2.0
179.04823	1.8
180.01109	5.8
181.01895	3.0
181.06030	5.8
183.02821	1.0
184.00587	2.2
185.03778	1.8
186.06332	1.5
187.05351	5.2
188.03491	1.0
189.01817	0.9
189.99579	2.0
190.01306	3.8
191.03430	1.1
192.01073	5.1
192.02762	1.9
192.99533	2.6
194.02684	2.8
194.08072	1.1
194.97517	1.1
195.01178	1.0
195.02849	2.7
196.00592	0.8
196.05998	0.8
199.07115	8.3
202.05009	0.9
203.03323	1.2
204.01195	1.3
204.02728	4.1
205.03564	0.8
206.04510	1.0
207.02835	2.7
208.00563	1.7
208.99081	1.5
209.05614	4.1
210.02174	5.2
211.07076	4.5
217.98972	0.8
219.02843	1.5
219.97047	0.9
220.00578	12.6
220.02411	1.4
220.98991	11.1
221.01076	1.1
221.04198	0.7
222.02242	3.9
222.07570	19.0
222.96959	2.3
231.04340	2.8
232.98909	1.1
233.03214	0.8
233.05881	4.4
234.02054	0.9
235.00409	1.4
235.02428	1.6
235.99966	5.0
236.02032	0.8
236.98495	4.0
238.01573	3.9
239.06686	1.1
240.08699	1.9
240.97992	7.7
242.04399	0.8
245.00880	0.9
245.09177	1.0
245.98466	2.2
246.97014	1.0
247.00548	1.3
247.10651	0.9
247.99965	6.2
248.98434	1.1
249.03154	2.2
257.07648	7.8
258.04050	1.0
258.09778	1.0
259.02518	1.5
260.00101	2.1
260.98401	1.6
261.03979	1.0
262.11130	1.3
262.99951	1.9
263.99557	2.9
266.01138	7.3
267.05231	1.9
270.04037	2.3
274.01685	3.5
274.10300	1.2
275.00034	0.9
276.03186	2.3
276.97845	2.5
279.13660	2.0
283.04694	3.2
286.01099	1.2
286.03772	1.5
287.01950	2.9
288.02911	1.5
290.99515	2.2
291.09811	0.8
291.99149	3.1
293.01913	1.6
295.03848	3.5
298.03314	0.9
300.03040	5.9
302.00961	4.4
302.99384	1.0
304.02594	0.8
305.02948	1.0
310.03464	1.2
312.04984	1.6
314.02899	1.3
315.01355	8.0
315.04669	1.0
316.02466	8.2
317.01303	3.2
318.04279	1.0
318.98935	4.6
321.00433	1.5
323.03235	3.6
324.04932	1.3
326.00974	1.2
326.02991	0.9
326.99435	0.9
328.04831	3.6
329.02829	2.4
330.00458	1.4
330.99408	0.9
332.04031	1.7
333.00616	2.1
339.03610	3.3
340.29599	1.1
341.04745	6.2
343.04501	1.8
344.02527	17.5
345.00211	5.7
346.03784	1.2
346.98541	1.3
349.00354	4.5
351.01642	4.1
351.05484	0.8
353.02826	9.8
354.00684	1.1
355.01804	1.4
356.02051	5.7
362.03317	1.6
363.30173	0.8
367.02307	6.4
372.01645	20.7
373.00214	1.2
374.03186	32.7
375.01691	3.3
375.72797	0.8
381.02219	3.7
381.99915	0.9
390.02661	13.2
400.01193	1.8
401.04471	1.1
403.06113	1.1
410.03513	1.1
412.99591	1.0
418.02310	3.3
429.04327	4.7
438.02698	1.3
447.04871	49.4
448.05215	1.4
456.03748	15.6
457.03482	6.7
458.05060	1.3
475.04349	14.7
476.02975	4.6
484.03268	7.4
486.05060	1.1
493.05383	53.2
494.05096	1.9
547.06445	33.2
548.06250	1.0
559.06421	12.0
561.07916	3.4
567.09875	1.1
589.07220	1.1
604.08386	1.6
605.07147	2.6
622.09595	91.4
623.09674	3.5
639.09070	1.1
657.09369	0.9
664.10760	1.4
670.12280	1.1
714.12329	6.8
756.62866	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.5
55.05505	0.3
57.03435	0.4
60.04517	0.4
61.02928	0.3
65.03926	3.8
67.05493	0.9
68.05023	0.1
69.03417	0.8
69.07056	0.5
70.06576	0.7
71.04981	0.5
71.54260	0.3
72.04501	1.0
72.08138	0.3
73.02899	1.0
75.04462	0.3
79.05478	0.6
81.03381	0.3
81.07061	0.9
82.04198	0.6
82.06580	0.2
83.04948	0.4
84.04475	1.2
84.08118	0.6
85.02888	1.3
86.06020	0.2
86.09706	0.5
87.04470	0.3
88.02237	0.2
91.05482	1.0
93.03378	1.6
93.07000	0.9
95.01315	0.2
95.04967	0.9
95.08608	0.8
96.04498	0.7
97.02863	1.0
97.06512	0.5
98.06021	0.4
99.04458	0.2
102.05505	0.2
103.03985	0.2
103.05485	0.5
105.03385	0.2
105.06974	0.9
107.04936	1.1
107.08600	0.5
107.12467	0.2
107.30579	0.2
108.02115	0.2
109.02909	0.2
109.06496	0.3
109.10135	0.4
110.03637	3.8
110.04343	0.2
111.04417	5.8
114.05545	0.2
115.03923	0.3
115.05478	0.3
117.06971	0.3
119.04907	1.1
119.08556	0.9
120.08047	0.2
121.02846	3.7
121.06511	0.7
121.10111	0.5
123.04443	0.3
123.11701	0.2
125.05037	0.3
125.05962	6.0
126.05505	0.6
127.03886	0.6
129.06998	0.5
130.08600	0.4
131.04922	0.6
131.08559	0.6
133.02838	0.6
133.06541	0.3
133.10081	0.4
134.05975	0.2
135.04393	0.3
135.08067	0.3
135.11639	0.3
136.07549	0.2
137.05946	2.2
137.09579	0.3
138.03091	0.5
141.06924	0.2
141.84744	0.2
144.05556	0.3
144.06564	0.8
145.06450	0.7
145.10077	0.3
146.08128	0.4
147.04385	1.4
147.08075	0.5
147.11646	0.2
149.02316	1.5
149.05940	0.8
149.09570	0.3
151.03897	0.5
151.07516	1.1
153.05440	14.1
153.09064	0.3
154.05823	0.3
157.06473	0.4
159.08057	0.7
159.09207	0.2
161.05952	0.9
161.09563	1.0
162.07605	12.6
163.03828	0.2
163.07619	0.9
163.11125	0.2
165.05551	0.2
165.06931	0.5
165.09103	0.3
167.07028	2.0
167.08453	0.3
173.06021	0.2
173.13179	0.3
174.06699	0.2
175.07549	0.7
177.05435	0.5
177.09093	0.4
178.04912	0.2
178.07742	0.3
179.06995	1.1
179.08424	0.2
181.04912	0.7
181.06493	0.6
181.08641	0.5
182.07298	0.3
183.08090	0.3
184.05241	0.5
187.07530	0.5
187.14815	0.2
188.08305	0.2
189.09117	0.7
191.07004	0.4
191.08575	0.4
193.06448	0.3
193.08574	0.3
193.10127	0.3
194.07144	0.4
195.08022	1.2
196.04973	0.2
196.08624	0.2
197.05891	0.3
197.09558	0.8
203.08574	0.2
205.08551	0.2
206.04504	0.5
206.07343	0.3
207.08035	0.4
207.10092	0.2
208.08879	0.2
209.06010	0.4
209.07867	0.3
209.09633	0.3
210.06757	1.3
210.10416	0.3
211.07520	0.8
212.08302	0.6
213.09100	0.5
215.10744	0.2
220.08786	0.4
221.06020	0.6
221.09610	1.1
222.06770	0.4
222.10371	0.6
223.07547	1.6
223.11140	0.6
224.08197	0.9
225.05502	0.4
225.09059	1.6
226.06166	0.2
226.09732	0.3
227.07053	0.8
227.10648	0.5
233.05864	0.3
234.06676	0.6
235.07581	0.9
235.11217	0.2
236.08258	0.3
237.05472	0.4
237.09053	1.0
238.06250	1.2
238.09859	1.8
239.06937	1.5
239.10606	0.8
240.07764	4.5
241.08496	1.1
242.09282	0.3
247.07394	0.3
248.08432	0.3
249.05348	0.3
249.08997	1.1
249.11203	0.7
250.06151	0.3
250.09830	0.3
251.06926	1.1
251.10623	0.4
252.07802	1.5
253.08575	9.4
253.12193	3.9
254.09241	1.7
254.12628	0.3
255.06561	1.0
255.10052	2.8
257.07941	0.9
257.11688	0.3
258.09756	0.3
263.07043	0.4
263.10727	0.3
265.08395	1.2
266.05716	0.4
266.09366	1.8
267.06528	0.7
267.10120	2.1
268.07236	1.4
268.10593	0.3
269.07996	1.9
269.11191	0.3
270.08844	1.4
270.12460	0.6
271.10068	0.3
271.13345	0.9
272.10410	0.2
276.10733	0.5
277.08591	0.6
278.09399	0.5
279.06720	0.4
279.10153	0.8
280.07431	0.3
280.10712	0.3
281.08051	2.6
281.11679	3.9
282.08771	0.9
282.11636	0.2
283.06262	0.2
283.09595	4.9
283.12921	0.3
284.10364	1.9
285.07654	0.3
285.11185	2.2
285.14792	1.5
291.10150	0.2
294.08710	0.8
294.11813	3.2
295.09515	2.0
296.10312	0.7
297.07898	0.3
297.11176	1.3
298.08426	0.5
298.11917	1.6
299.09348	0.4
299.12701	5.1
300.09842	0.6
303.15891	0.7
307.09772	0.2
309.11127	4.4
310.11929	2.1
311.09216	0.3
311.12927	0.6
312.09894	0.3
312.13129	0.3
313.10657	7.4
313.14304	3.7
314.11093	0.3
315.12207	0.3
316.13165	0.3
321.11520	0.2
325.10675	0.2
326.11313	0.6
327.12204	22.2
328.12851	2.4
329.13803	0.9
331.15335	3.0
335.12430	0.2
339.12189	0.9
341.13773	3.6
343.15326	0.6
344.12061	0.2
345.16983	0.2
353.13904	0.2
355.15329	0.5
357.13205	0.5
359.14804	100.0
360.15189	4.0
361.16443	1.7
371.14838	6.1
371.19522	0.3
385.16455	0.3
389.15863	5.8
455.35226	0.2
491.20828	0.2
509.21573	0.6
521.21545	0.2
533.21661	0.2
539.23505	0.2
551.22449	0.2
745.46783	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.4561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.4
55.05496	0.6
56.04826	0.1
56.05024	0.7
57.03419	1.0
57.07042	0.3
58.02946	0.1
60.04218	0.1
60.04512	2.1
61.02913	1.0
62.07597	0.1
65.03909	0.1
67.05486	0.6
68.05019	0.6
69.03416	3.0
69.07061	0.8
70.02924	0.2
70.06583	0.8
70.88739	0.1
70.89085	0.1
71.01342	0.2
71.04968	0.2
72.04503	7.3
73.02901	6.7
74.06040	0.1
79.05475	0.5
80.05002	0.6
81.03071	0.1
81.03408	0.8
81.07040	2.3
82.02917	0.2
82.06564	0.1
83.05004	0.1
83.08593	0.5
84.04488	8.0
85.02887	2.7
86.06036	0.3
87.04446	0.3
88.03980	0.3
89.06041	0.1
90.05495	0.1
91.05470	0.5
93.07024	1.1
94.06513	0.2
95.04944	0.1
95.08589	3.1
96.04471	4.2
97.02872	3.3
97.10126	0.2
98.03176	0.1
98.06027	1.9
99.04433	0.5
100.03957	0.2
101.02360	0.2
101.07088	0.1
102.05533	0.4
103.03909	0.2
105.07015	1.1
107.08576	1.8
108.04469	0.6
109.02840	0.2
109.06492	0.1
109.10136	1.4
110.06008	0.3
111.04420	0.1
114.05505	1.0
115.03902	2.1
116.07070	0.2
117.07032	0.2
119.08559	1.0
121.10115	1.4
122.06013	0.2
123.08042	0.1
123.11680	0.8
126.05492	4.6
127.03890	3.0
128.06149	0.1
128.07057	0.2
129.06978	0.2
131.08533	0.7
132.06537	0.2
132.26302	0.1
133.04953	0.3
133.06438	0.1
133.08543	0.1
133.10083	0.8
134.64879	0.1
135.08026	0.2
135.11674	1.0
136.07564	0.1
137.12276	0.1
137.13216	1.1
138.05470	0.4
140.07045	0.2
141.07001	0.1
142.07726	0.2
143.08545	0.5
144.06531	6.5
145.04930	1.1
145.10106	1.2
146.08299	0.1
147.08003	0.1
147.11664	0.7
149.05992	0.2
149.13235	0.9
150.05415	0.1
151.14774	0.1
153.09091	0.1
155.08595	0.2
156.06499	0.2
156.09355	0.1
157.10086	0.7
159.08099	0.1
159.11703	0.7
161.09546	0.2
161.13179	0.3
162.07579	100.0
163.06003	0.1
163.07880	0.7
163.14769	0.2
167.07011	0.4
167.08366	0.1
168.06517	0.2
169.10103	0.3
170.10901	0.2
171.11673	0.4
173.13249	0.3
174.07585	0.4
175.07457	0.2
175.11047	0.1
175.14778	0.3
177.16335	0.6
179.07028	0.3
180.08606	1.4
181.10089	0.1
183.11685	0.1
185.13191	0.7
186.07584	0.4
187.11171	0.2
187.14804	0.7
189.09106	0.1
189.16310	0.3
191.17920	1.3
192.06493	0.1
194.08203	0.1
195.11722	0.1
197.13181	0.2
198.07655	0.1
199.14825	0.5
201.12698	0.2
201.16391	0.4
203.10303	0.3
203.14316	0.3
203.17900	1.0
204.06686	0.2
204.08609	1.4
204.18265	0.1
205.12238	0.2
205.19376	0.4
209.13223	0.1
210.07439	0.2
211.14729	0.3
212.09143	0.2
213.12773	0.1
213.16373	0.2
215.10567	0.1
215.14223	0.2
215.17838	0.1
217.15822	0.1
217.19455	0.3
222.07628	0.1
223.14963	0.1
228.08562	0.2
229.12151	0.1
229.15817	0.2
231.13747	0.2
239.17822	0.2
240.08583	0.5
243.13821	0.2
245.15363	0.6
249.14857	0.3
251.17931	0.2
253.19458	0.2
257.15356	0.2
258.09689	2.1
259.16751	0.1
261.14801	0.1
265.19214	0.1
267.21204	0.1
275.16296	0.3
276.10730	3.6
283.24194	0.1
285.18484	0.1
294.11765	24.1
295.12137	0.3
303.19421	0.1
312.12799	1.2
328.65820	0.1
369.33893	0.1
379.25903	0.1
389.31891	0.2
391.33441	0.2
407.32883	0.4
409.34668	0.2
435.32526	2.3
436.32529	0.1
453.33542	2.9
454.33630	0.1
471.34201	0.1
632.41254	0.2
732.29175	0.1
764.46082	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.2
55.05506	1.2
55.72290	0.4
56.59566	0.4
57.03425	2.7
57.07071	2.7
59.04986	1.2
60.25648	0.5
61.02917	7.4
65.03940	0.4
67.05493	7.5
69.03418	3.8
69.07063	2.1
69.51011	2.9
69.51434	1.2
71.01342	0.5
71.04993	2.6
71.08621	2.6
72.08961	0.6
73.02906	5.1
74.43699	0.5
79.05485	3.7
81.03413	2.1
81.07044	7.6
83.04976	1.0
83.08611	1.1
85.02896	6.8
85.10172	2.3
86.10501	0.9
87.04450	1.2
89.06027	1.5
91.03940	3.7
91.05462	2.9
93.07015	5.1
95.04942	0.8
95.08601	4.2
97.02868	4.8
98.20747	1.1
99.04454	0.9
99.22250	0.4
101.02377	2.3
104.38494	0.4
105.07036	2.3
107.08575	2.2
109.02866	1.0
109.10153	1.7
117.07003	0.5
119.08592	1.3
121.10163	1.8
123.11700	1.1
127.03915	2.2
130.08633	0.6
131.08508	0.8
133.08638	0.5
133.10136	2.0
134.08910	0.6
135.11659	1.1
145.10112	1.0
149.13292	1.5
159.11642	0.8
243.08331	2.9
257.17627	0.5
257.24728	0.5
261.22162	0.6
267.15503	2.4
323.18439	0.5
333.15134	0.8
485.23517	5.8
519.29211	8.1
601.31085	0.5
704.56848	0.6
763.45850	100.0
764.46423	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	762.5553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.4
57.07063	57.4
59.04988	13.6
62.93329	0.4
67.05477	0.7
69.03410	0.5
69.07049	2.3
69.24048	0.5
69.24443	3.8
71.04982	0.5
71.08617	56.5
72.08952	0.5
73.02908	1.7
73.06544	5.3
81.03402	0.5
81.07045	1.3
83.08612	1.7
84.08115	0.5
85.10163	49.5
87.03910	0.7
87.04451	18.0
89.06012	100.0
90.06351	0.8
91.05462	0.5
91.07565	0.9
93.07016	0.5
95.04925	0.6
95.08566	0.8
97.06515	0.5
97.10152	0.7
99.11707	4.2
101.05974	0.6
103.07559	5.8
107.07042	4.1
111.11701	0.8
113.05996	1.1
115.07547	0.5
117.09107	5.2
119.08489	0.6
127.14817	1.1
129.09122	0.5
130.08607	6.6
131.07013	7.5
131.10632	0.7
133.08575	80.3
134.08960	0.9
135.10101	0.7
136.06216	0.6
141.16342	5.1
149.05914	0.4
151.09619	0.5
155.17961	0.5
159.10097	0.9
161.11729	2.2
173.11740	0.8
175.09633	6.0
175.13457	0.4
177.11189	34.0
178.11539	0.5
179.12688	0.6
185.19003	1.3
189.80168	0.4
193.10699	0.8
195.12236	0.5
199.20552	4.9
219.12193	2.8
219.52103	0.4
221.13792	6.0
223.15349	1.2
235.15356	0.5
237.13300	0.8
239.14803	2.0
240.23068	0.4
243.23152	5.7
256.26315	0.6
263.14694	0.7
265.16479	1.9
283.17438	4.3
287.25641	0.4
309.18924	1.7
327.19943	2.4
353.21555	1.5
371.22626	1.3
397.24188	0.6
415.25220	1.1
441.27081	0.5
459.27536	0.6
503.30539	2.1
529.31494	1.0
547.33026	7.8
587.35864	1.7
745.53192	1.8
762.41681	0.6
762.55573	7.6
763.40906	1.8
763.54187	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.3691
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05465	1.7
55.28998	0.4
57.07029	1.3
57.65265	0.4
59.04956	1.0
67.05454	1.5
68.04974	0.4
69.03378	1.3
69.07054	7.5
69.92339	0.6
69.92756	1.8
70.06546	0.9
71.04951	0.8
79.05435	0.6
81.03369	1.0
81.07050	2.2
82.06512	0.4
83.08606	3.6
84.08128	7.9
85.02889	2.2
85.06522	0.6
87.04391	0.6
88.07492	0.4
89.05968	1.1
91.05453	1.0
93.06990	1.4
94.06542	2.1
95.04899	0.9
95.08593	2.6
96.04426	0.5
97.02856	0.7
97.10110	1.1
103.03906	3.3
105.06983	0.8
106.06544	0.7
107.08514	0.6
108.08047	1.2
109.02824	0.6
109.06467	0.6
109.10083	0.9
111.11631	0.4
112.07554	0.6
117.06948	0.4
118.06505	0.4
119.08477	0.6
120.08041	0.4
121.10069	0.4
122.05171	0.5
122.06001	8.3
123.11666	0.4
124.07548	0.4
127.03835	1.1
130.07683	0.5
130.08609	8.1
133.08531	0.8
134.05946	1.1
135.11618	0.6
136.07552	8.9
137.05949	0.6
140.07040	16.4
145.10103	0.4
146.05974	8.0
146.09550	1.1
147.06470	0.9
148.07536	6.7
150.09081	0.7
152.07034	2.2
155.14230	0.6
162.05429	0.5
162.07556	2.9
163.07637	0.4
164.07030	8.9
166.08603	10.0
169.15851	0.5
172.03899	5.2
173.04626	0.7
174.05464	6.5
174.09053	0.9
176.07028	12.4
177.05522	0.4
177.11066	0.5
190.04997	3.1
191.05701	0.8
191.09068	0.7
192.06448	1.3
204.06488	8.0
206.08102	1.7
207.06522	0.5
208.09593	1.1
211.12160	0.7
218.08096	0.4
221.10638	1.0
223.12241	0.7
224.09326	0.4
224.12914	0.6
225.10312	1.9
225.13803	0.6
227.11687	1.0
229.13319	1.0
235.12091	1.1
236.13039	1.0
237.10071	3.8
237.13791	1.4
238.10910	3.3
239.11732	6.9
243.11203	0.6
246.07556	0.7
248.09315	0.7
249.10216	2.4
250.10875	1.6
251.11731	7.5
252.12445	0.9
253.13391	2.0
255.11217	1.0
261.12222	1.7
263.07648	0.5
263.11768	8.7
264.08691	1.3
264.12381	1.6
265.09668	4.4
265.13281	20.5
266.10449	1.0
266.13809	1.4
267.11282	3.0
268.11972	1.0
269.12756	1.3
270.13409	0.6
271.14380	5.6
272.14755	0.5
275.11673	0.7
276.08698	0.4
277.09628	3.5
277.13217	2.3
278.10513	1.7
279.11209	62.8
280.11862	5.4
281.12845	2.6
282.13486	0.8
283.10599	1.3
283.14288	1.0
284.11526	0.9
285.12262	2.4
287.13834	11.8
289.15363	2.2
291.11191	4.8
292.11954	1.3
293.09607	0.7
293.12781	6.0
294.13446	1.4
295.10730	4.1
295.14325	1.8
296.11411	2.8
297.12274	41.5
297.15237	2.4
298.12949	6.0
299.13779	1.1
309.12265	32.1
310.13010	14.1
311.13699	3.1
313.11755	4.9
315.04871	0.5
317.26685	0.6
319.10709	4.4
320.11282	0.7
321.12265	5.1
323.10129	1.0
323.13669	0.5
324.10892	1.7
325.11746	4.0
326.12448	0.6
331.12842	2.0
335.28003	2.0
337.11749	53.4
338.12503	25.8
339.13315	56.7
340.13885	4.9
341.14862	0.7
342.15686	0.4
345.14413	2.5
369.14322	11.7
370.15213	3.4
371.15945	22.8
372.16229	1.2
385.13788	1.0
392.19720	0.7
399.15189	1.9
400.16467	2.0
401.16974	0.7
402.17938	0.8
416.19659	0.7
418.17618	1.4
420.19077	0.7
422.85809	0.5
424.16565	1.1
432.18973	1.2
438.20044	1.6
442.17480	3.1
447.36929	0.4
450.20142	1.6
460.18561	23.8
461.18869	2.2
464.18121	0.8
466.19696	0.7
478.19672	14.0
479.20169	1.1
479.31531	1.9
480.21146	3.6
492.21204	0.5
496.20578	1.7
497.32986	0.8
510.22250	32.9
511.22867	2.7
557.27368	1.4
583.25238	1.6
601.26422	100.0
602.26624	7.5
633.29077	49.7
634.29510	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	762.3691
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05455	1.2
57.07045	0.4
59.04936	1.2
60.04473	0.4
67.05428	2.3
68.99725	0.4
69.03357	1.0
69.07052	3.7
69.43138	0.6
69.43542	2.8
70.06525	1.6
71.04922	1.6
73.02840	1.2
79.05415	1.2
81.03345	1.1
81.07043	4.8
81.76898	0.4
83.04918	0.6
83.08536	1.3
84.04449	0.7
84.08123	3.4
85.02875	1.9
85.06477	0.9
86.09677	0.8
89.05943	1.1
91.05403	1.7
93.07022	1.9
94.06514	1.0
95.04880	1.3
95.08585	4.7
97.02803	1.4
97.06476	0.7
98.21514	0.8
99.04390	0.6
99.08099	0.4
105.07007	2.0
106.06449	0.4
107.04861	0.5
107.08506	1.3
108.08028	0.9
109.02755	0.4
109.06464	0.6
109.10066	1.6
109.61044	0.3
110.05950	0.5
111.04384	0.5
113.09554	0.4
117.06897	0.5
119.08506	1.6
120.08053	0.7
121.06432	0.8
121.10064	1.3
122.06016	4.2
123.08025	0.5
123.11627	0.7
127.03825	1.4
129.05342	0.5
129.10146	0.3
130.08627	3.2
131.08466	0.6
133.08490	0.7
133.10040	1.4
134.05908	1.6
135.11624	0.4
135.91408	0.4
136.07555	8.3
137.05865	1.4
137.09473	0.5
137.13174	0.5
138.05388	1.5
140.05945	0.5
140.07031	10.2
141.12619	0.6
144.04364	0.5
144.06503	0.5
145.10034	0.7
145.86818	0.4
146.05984	3.8
146.09535	0.5
147.04280	0.7
147.07947	0.5
147.11609	0.5
148.07478	2.6
149.09581	0.5
149.13213	0.4
150.09047	0.8
151.03751	0.4
151.07451	0.8
152.07037	1.8
155.14249	1.9
156.08937	0.4
159.11597	0.4
162.05402	0.6
162.07596	5.1
162.08914	0.8
164.05666	0.8
164.07031	13.5
165.07439	0.5
165.09030	0.8
166.08623	4.9
167.06967	0.9
169.15773	0.9
172.03868	3.0
174.05486	2.9
174.09102	0.6
175.03752	0.5
175.07433	0.5
175.14722	0.4
176.07036	8.0
177.05423	0.9
190.04890	1.6
204.06506	8.9
206.08084	3.2
207.06406	0.5
208.09610	1.4
210.11371	1.2
211.12190	0.8
221.10719	0.4
222.11580	0.6
223.12100	0.7
224.13156	0.4
225.10114	1.4
226.10814	0.5
227.11729	0.6
235.08530	0.6
235.12285	0.9
236.12965	0.8
237.10182	2.9
237.13745	1.2
238.10905	2.7
239.11710	6.9
247.12271	0.6
248.09384	1.3
249.10254	3.2
250.10857	2.1
251.11726	5.3
252.12343	0.6
253.09691	0.4
253.13295	1.9
253.15857	0.5
254.10576	0.4
255.11200	0.9
261.12296	0.9
262.10699	0.6
263.11725	12.9
264.08865	0.5
264.12421	2.8
265.09656	5.0
265.13248	16.8
266.10452	0.9
266.13760	1.4
267.11252	2.7
269.12726	2.6
270.13608	0.4
271.14301	2.5
271.22720	0.5
275.11731	0.8
277.09576	1.1
277.13275	1.1
278.10349	2.0
279.11206	41.2
280.11868	4.2
281.09857	0.6
281.12698	2.9
282.10474	0.5
282.13562	1.6
283.10712	1.0
283.14313	1.5
284.11523	0.7
285.12228	1.5
287.13855	2.9
289.15350	1.1
291.11221	6.0
292.11853	1.5
293.12778	4.1
294.13635	1.1
295.10742	1.9
295.14456	1.3
296.11508	1.7
297.12271	31.9
298.12933	4.5
299.13852	1.2
309.12271	46.6
310.13004	14.1
311.10278	0.5
311.13757	5.9
313.11722	1.2
315.13022	0.4
319.10687	3.7
321.12231	4.7
323.10126	1.0
324.11026	1.3
325.11893	3.3
331.12836	1.4
335.27945	0.6
337.11740	44.1
338.12503	22.5
339.13306	39.3
340.13760	3.4
341.14764	0.8
345.14377	2.5
369.14355	54.7
370.15079	13.1
371.15933	33.4
371.20859	0.6
372.16641	1.9
392.19608	0.6
400.16592	1.4
401.17401	0.7
402.17978	0.7
418.17545	0.9
419.18112	0.5
420.18881	0.7
432.19183	0.8
438.20200	0.9
442.17404	1.4
450.20081	1.7
460.18597	12.3
461.19083	1.2
466.19476	0.7
478.19614	5.8
479.20001	0.7
479.35696	1.4
480.21060	1.4
492.21103	1.3
498.22308	1.2
510.22247	100.0
511.22672	6.8
557.27954	0.4
585.61115	0.4
601.26447	48.9
602.26959	4.1
615.28955	0.6
633.29053	82.1
634.29388	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	762.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03750	1.2
53.03936	13.0
55.01865	4.2
55.05503	22.6
56.71248	1.6
57.03433	7.8
57.07072	7.6
58.24598	1.2
63.61378	1.4
65.03924	5.3
67.05495	94.3
68.05811	1.7
69.03418	33.9
69.06734	1.5
69.07062	19.5
69.07426	2.3
71.01355	1.7
71.04984	10.0
71.08616	5.8
71.26210	1.6
71.26538	2.4
73.02901	5.3
79.05479	69.0
80.05797	2.8
81.03407	71.1
81.07041	100.0
82.03716	3.4
82.07353	3.1
83.04961	8.5
83.08598	17.9
84.08096	1.5
85.02887	20.4
85.06522	3.1
85.10172	2.8
87.04432	3.8
89.06001	4.0
91.05464	49.0
92.05775	1.9
93.07027	86.1
94.07355	2.4
95.04950	13.9
95.08591	75.6
96.05293	2.0
96.08929	2.9
97.02869	28.2
97.06515	6.2
97.10140	7.2
98.03177	1.4
99.04434	11.0
99.08073	3.6
103.03922	1.6
105.04480	1.9
105.07010	42.3
106.07380	2.5
107.04936	6.3
107.08574	52.1
108.04446	2.8
108.08917	2.4
109.02854	18.4
109.06509	6.7
109.10137	36.7
111.04407	8.0
111.08047	4.8
111.11655	1.5
113.02351	1.3
113.09608	2.5
115.03900	2.5
115.05437	2.7
117.07008	18.3
119.04923	3.5
119.08562	31.7
120.08899	2.9
121.06494	2.5
121.10125	45.5
121.75803	1.3
122.10454	3.6
123.04403	2.4
123.08039	4.4
123.11692	20.2
125.00024	1.7
125.09592	3.9
127.03876	13.7
128.06186	1.5
129.05455	2.4
129.06996	7.5
130.08658	3.1
131.04926	2.5
131.08546	31.8
132.08917	1.8
133.02835	2.7
133.06461	6.1
133.08553	4.4
133.10110	27.3
135.08070	3.8
135.11661	31.0
137.09612	2.5
137.13239	6.1
139.11121	2.8
141.06995	2.3
143.08534	6.5
145.04968	3.3
145.06470	2.3
145.10092	23.7
147.04381	8.1
147.08028	2.9
147.11665	22.7
149.09579	3.6
149.13234	23.8
151.07500	1.5
151.11153	2.1
153.07127	1.4
153.12683	1.5
155.08516	4.1
157.10165	6.5
158.10435	1.3
159.11662	23.2
161.02332	1.8
161.05945	4.8
161.09572	3.0
161.13210	12.9
163.11134	2.7
163.14790	9.2
165.12772	3.2
167.08408	1.6
167.10741	1.2
169.10092	3.7
171.08031	2.6
171.11665	5.5
173.09668	2.4
173.13252	22.0
175.11171	2.7
175.14812	5.8
177.12708	2.6
177.16417	2.5
179.14297	3.4
182.27322	1.3
183.11635	4.1
184.07263	5.3
185.09682	2.4
185.13254	4.2
187.03862	4.1
187.11192	1.7
187.14728	8.6
189.05414	12.0
189.12672	3.0
193.12207	4.8
194.12578	2.3
197.13225	3.3
199.03888	2.5
199.11201	2.4
199.14790	3.7
201.16376	4.2
205.15767	2.0
207.11818	1.7
211.14728	1.6
213.12686	1.8
217.04939	12.1
223.14964	1.6
225.12721	1.5
233.22614	3.0
241.19550	2.7
243.21066	18.7
259.20544	5.8
261.22095	74.1
262.22360	4.3
263.05380	13.4
267.15854	8.8
268.16245	5.4
269.16522	1.5
271.20551	2.6
273.18842	1.3
273.22089	3.3
275.23520	2.1
277.14307	3.2
277.21588	11.2
279.23166	6.1
285.16776	1.5
285.21973	3.2
289.21432	3.6
291.23169	3.8
295.15320	1.9
301.18338	1.6
301.21637	4.3
303.23032	8.0
315.23114	3.7
319.22650	2.8
323.07587	6.7
323.23590	1.8
327.23203	3.2
335.25684	4.8
336.26068	4.9
337.26382	2.5
341.24615	7.9
345.24249	2.8
351.23050	8.6
359.25772	2.0
369.24188	25.0
370.25107	1.5
387.25229	26.7
405.26324	31.1
406.26517	1.9
423.27414	28.5
527.36920	1.6
528.37329	2.6
529.37683	3.1
544.94598	1.7
547.38788	4.3
583.28424	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	761.5355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	4.1
57.03426	3.7
57.07066	100.0
58.04211	8.2
59.04989	49.5
60.04499	1.6
67.05486	4.1
69.07052	7.0
70.06567	2.7
71.04974	2.1
71.08616	70.8
71.53405	1.5
71.53837	1.5
72.05756	7.0
73.02890	3.6
73.06548	11.0
79.05483	2.3
81.07030	10.7
83.08622	3.8
83.47692	1.2
84.08149	2.4
85.06516	2.4
85.10169	55.2
86.07276	2.3
87.04452	14.2
87.08102	1.6
89.06014	14.2
90.01902	21.6
91.05437	2.6
93.07033	5.0
95.08588	12.0
95.62714	1.2
97.10155	4.7
99.11701	10.7
100.08850	2.2
101.06010	2.5
101.09629	2.9
103.07558	8.1
105.07001	4.1
107.08584	3.6
109.10139	4.7
111.11714	1.8
113.13267	2.9
115.07563	3.7
116.07063	2.8
116.08373	2.4
117.09109	19.5
118.82555	1.3
119.08565	2.0
121.10112	2.3
121.23218	1.2
123.08038	1.6
123.11664	1.7
130.08612	2.9
131.06982	1.8
131.08556	2.2
131.35483	1.5
133.08575	7.8
133.10146	2.6
135.07947	1.8
135.11650	3.1
145.10083	3.6
147.11702	1.6
149.13315	2.3
151.07507	13.6
152.15547	3.5
155.17929	8.4
159.11636	1.6
161.11674	2.3
161.13184	1.4
165.11191	1.6
173.13252	1.4
177.11134	2.6
178.07022	2.0
187.80000	1.3
191.10626	11.8
194.13806	1.5
199.14873	1.3
203.17824	1.4
205.12239	2.9
208.15450	2.0
212.21310	1.4
213.22078	15.1
222.09698	6.1
222.16965	4.1
224.14920	1.8
241.21664	1.6
251.18643	1.7
252.17940	1.5
266.12463	1.7
266.19528	4.5
271.26309	15.9
296.20599	4.0
310.22299	6.5
311.20880	1.5
326.21735	2.7
338.25278	1.9
340.23306	4.1
354.25070	1.8
356.22800	2.1
368.26410	1.6
416.20856	3.7
434.38266	4.0
451.38928	1.4
453.36697	1.5
474.25250	1.7
478.40945	6.0
522.43256	5.8
566.46222	2.3
595.56030	1.4
610.48730	14.8
626.48120	3.4
654.50830	2.9
670.50586	4.3
761.54474	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	760.5765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00281	0.5
55.05508	2.2
57.03425	1.3
57.07067	100.0
58.07396	1.0
59.04992	31.4
66.64531	0.3
69.07063	2.0
69.20293	4.1
71.08621	70.6
71.73393	0.3
72.08957	1.0
73.02914	0.6
73.06537	1.1
76.19969	0.4
81.07069	0.7
82.07393	0.4
83.08617	1.7
84.08109	0.7
85.10170	58.3
86.10503	1.3
87.04454	7.2
89.06018	37.6
93.07053	0.3
93.72160	0.4
95.08604	0.6
97.10159	2.8
99.08103	0.5
99.11719	13.1
101.05959	0.8
101.09638	2.5
103.07581	0.9
103.64488	0.4
107.07048	1.6
113.13271	5.0
117.09117	11.7
125.13252	0.3
129.09093	0.4
130.08604	2.8
131.07034	2.6
131.10690	0.3
133.08583	31.4
133.38834	0.3
134.08875	0.7
135.10133	0.4
145.08539	0.4
147.10147	0.6
155.17926	8.8
158.11676	0.6
161.11664	0.5
175.09657	2.7
177.09648	0.8
177.11200	14.4
184.07315	0.8
191.12610	0.6
195.20937	0.4
213.22099	21.4
214.22380	0.7
219.12236	0.7
221.13805	3.0
237.13347	0.5
239.14754	1.0
239.17070	0.5
254.24713	2.2
265.16272	0.8
271.26282	24.6
272.26523	1.4
283.17313	1.6
284.35089	0.4
309.18829	0.8
327.19986	1.2
329.30518	0.5
353.21628	0.8
371.22784	1.7
397.24030	1.3
414.21521	0.4
415.25299	11.2
416.25781	0.6
455.28384	2.0
473.29642	2.7
474.29340	0.5
513.32135	1.2
531.33472	0.6
571.36975	0.4
571.46289	0.5
572.06744	0.4
743.53351	0.6
760.39960	2.6
760.56427	7.6
761.39783	1.0
761.57568	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.5777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00287	0.5
55.05499	4.4
56.91886	0.5
57.03425	2.3
57.07064	99.6
58.07407	1.1
59.04990	47.7
61.02917	0.5
67.05494	12.7
68.05827	2.1
69.03425	0.6
69.07055	4.4
71.04995	3.2
71.08618	100.0
71.55169	0.6
72.08943	1.0
73.02914	0.5
73.06542	0.9
79.05480	4.2
80.05816	1.2
80.46419	0.5
81.07043	14.7
81.07524	0.7
82.07362	3.4
83.08594	4.7
84.08137	0.6
85.06516	1.6
85.10167	92.5
86.10498	1.1
87.04459	6.1
87.63037	0.5
89.06014	35.4
91.05441	4.1
92.05794	1.1
93.07041	5.7
94.07355	1.3
95.04971	0.9
95.08598	4.1
96.08916	1.8
97.02852	0.6
97.06518	0.9
97.10147	2.1
99.08058	1.1
99.11714	12.4
101.06000	1.5
101.09656	4.2
103.07571	2.6
105.07024	2.7
106.07350	1.1
107.07079	1.4
107.08578	2.8
108.08894	1.0
109.10135	2.1
110.10474	0.7
111.11670	1.2
115.07563	0.9
117.09106	15.0
119.08557	1.4
121.10104	2.0
123.11685	2.2
124.11977	0.6
124.99989	0.6
130.08589	1.8
131.07024	1.8
131.08508	0.8
133.08582	26.8
133.10037	2.7
134.08881	0.7
134.10405	1.2
135.11623	1.2
138.41348	0.6
141.16357	11.6
147.10155	0.6
151.11066	1.0
155.10666	0.5
155.17935	0.8
159.11649	1.2
159.13741	1.0
161.11694	0.7
161.13133	0.6
175.09599	1.8
177.11192	12.5
181.19511	0.7
184.07335	1.3
191.12773	0.7
193.83578	0.5
199.20531	30.2
200.20898	0.9
213.22128	1.2
221.13742	2.4
230.01958	0.7
239.14803	0.7
240.23145	3.6
257.24707	35.1
258.25000	1.5
269.17288	0.6
271.26352	0.8
273.24258	0.5
283.17410	2.1
301.19983	1.0
302.20212	0.6
303.20349	0.6
315.28827	3.0
327.19904	1.4
335.25613	2.2
336.26154	2.6
337.26202	1.5
353.21420	0.8
371.18088	0.6
371.22699	11.0
411.25522	1.2
429.26880	3.4
469.29739	0.8
487.30313	1.3
503.37115	2.7
504.37634	5.2
505.37930	10.1
527.34009	0.6
530.38507	0.7
531.38818	1.5
561.40869	2.1
562.41675	4.8
563.42041	13.6
760.57898	7.0
761.56934	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.4824
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.8
55.01869	3.9
55.05499	21.5
55.19838	0.9
57.03424	21.7
57.03691	1.4
57.07069	4.7
59.04988	1.4
59.33097	0.9
60.08161	1.8
61.02912	2.1
65.03941	2.4
65.17496	1.0
67.05489	73.0
69.03417	4.5
69.07058	20.5
69.07410	2.0
70.62566	2.2
70.62968	2.3
71.01360	1.2
71.04995	3.9
71.07358	1.0
71.08637	2.9
72.08145	1.1
73.02912	1.3
79.05475	49.2
79.72498	1.1
81.03400	97.4
81.07038	71.9
82.07437	1.5
83.04959	9.4
83.08602	28.8
83.62744	1.0
85.02907	3.9
85.06532	2.3
85.10217	1.1
86.09703	5.3
87.04471	1.8
87.09995	1.0
88.07693	1.1
91.05459	38.7
93.07027	57.1
95.04947	35.6
95.05541	1.6
95.08589	50.9
97.02888	4.3
97.06512	6.6
97.10148	8.4
99.08098	1.2
99.20836	1.0
103.05457	1.5
105.07007	31.6
105.07658	2.0
107.04944	9.4
107.08570	31.6
109.02893	1.3
109.06516	5.8
109.10132	22.4
109.10909	1.1
111.04443	3.5
111.08058	9.8
115.05460	2.2
117.06988	10.7
119.08556	25.9
119.09328	1.7
121.06518	4.2
121.10117	29.9
123.04449	3.9
123.08051	4.1
123.11671	8.5
125.00014	3.6
125.09602	6.1
128.06226	1.7
129.06975	12.1
130.08682	1.6
131.04881	1.3
131.08533	23.0
131.09473	1.3
133.06511	4.6
133.10088	19.1
135.08066	2.3
135.11676	15.4
137.05977	3.8
137.09567	2.2
137.13300	1.3
139.11200	1.9
142.07747	2.9
143.08580	3.5
145.06482	1.3
145.10103	12.4
147.04431	2.1
147.08044	4.8
147.11655	17.1
149.09618	7.6
149.13255	9.3
155.08504	1.9
157.10072	12.3
157.11087	1.1
159.11658	8.5
161.13243	6.4
163.11182	4.1
163.14822	4.0
165.12769	3.1
169.10153	2.1
171.11711	3.5
173.09604	2.6
173.13239	7.7
175.11179	12.6
175.14822	2.5
177.12785	2.3
183.11633	1.5
184.07292	18.0
185.07614	1.2
185.13268	2.4
187.11195	1.3
187.14920	3.0
189.11192	2.2
189.16544	1.2
193.12199	29.6
199.14880	2.1
201.16451	2.2
211.13239	2.0
211.14999	1.5
227.12761	7.5
229.14227	1.9
235.13187	2.5
243.21158	5.3
249.14806	2.0
256.86743	1.0
259.20746	1.3
261.22101	19.7
265.14496	1.5
267.15863	100.0
268.16211	1.5
273.14969	1.2
283.15482	1.7
285.16904	11.4
285.22058	1.2
299.23798	1.1
301.14355	3.5
301.25275	4.5
303.23120	1.5
309.16913	6.3
314.27924	1.2
317.24768	3.9
327.18149	1.0
333.24310	2.4
335.25723	83.6
336.26028	3.2
337.16263	1.7
341.24689	1.1
345.24066	1.3
351.18167	2.0
359.25754	1.2
375.18076	1.5
421.25790	2.3
435.27219	2.5
435.32562	5.6
453.33612	7.1
471.34274	5.5
509.36133	2.1
527.37195	65.1
528.37317	1.7
545.38245	65.5
546.38715	1.5
563.39136	5.4
569.38379	3.2
570.71875	1.4
623.39221	1.5
653.40753	1.6
671.40674	2.1
760.41956	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	760.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.5
55.05495	1.1
57.03412	1.0
57.16344	0.4
59.04989	2.2
60.04505	0.6
60.08163	0.6
61.02894	0.6
61.16635	0.5
61.18555	0.5
65.03950	0.7
67.05488	3.0
69.03426	2.6
69.07059	4.0
69.54002	3.8
70.06569	1.6
71.04979	1.3
72.04501	0.9
73.02906	1.2
79.05473	1.7
81.03384	1.2
81.07044	5.9
83.04960	1.3
83.08586	1.6
83.46384	0.4
84.04493	1.2
84.08131	3.1
85.02890	2.7
85.06530	0.7
86.09687	2.5
91.05454	2.1
93.07016	4.3
94.06534	3.3
94.07386	0.6
95.04960	1.7
95.06920	0.5
95.08578	9.3
95.68178	0.5
97.02872	2.3
97.06532	0.8
97.10135	0.5
97.80585	0.5
98.20671	0.6
99.04457	0.5
103.05437	1.1
104.10724	3.2
105.06996	1.6
107.08576	2.3
108.08095	1.1
109.02885	0.9
109.06487	0.7
109.10151	3.3
110.05987	0.8
111.04418	0.6
112.07616	0.7
115.03893	0.9
117.09131	1.0
119.08542	3.1
120.08081	1.0
120.08872	0.8
121.06512	0.6
121.10135	3.4
122.05993	11.4
122.12772	0.5
123.04403	0.9
123.08044	0.7
123.11694	1.4
124.99965	0.9
126.05483	0.9
127.02226	0.5
127.03898	1.4
129.05411	0.7
130.08603	1.4
131.04897	2.1
131.08569	1.1
133.10104	0.7
134.06001	0.8
135.11668	1.1
137.05972	0.8
137.09586	0.7
137.13202	0.7
138.05467	0.6
140.07028	25.8
143.08594	0.5
144.04399	1.0
145.10095	1.0
146.05981	6.5
147.08008	0.7
148.07541	0.9
149.09601	1.5
149.13237	1.2
151.07581	0.9
151.14798	0.7
152.07001	0.6
159.11629	0.8
161.09552	0.9
162.05504	1.2
162.07576	10.8
163.06245	0.7
163.07794	0.7
165.09071	2.0
167.07065	0.8
169.15800	0.7
172.03897	11.7
173.04703	1.7
174.05466	10.4
176.07018	4.2
184.07373	3.0
190.04938	3.8
191.05795	2.1
192.06558	0.9
197.10771	0.6
199.12328	0.7
204.06516	27.9
205.07146	0.9
206.08060	6.8
211.08533	1.0
212.09383	0.8
216.10262	0.6
225.10175	3.3
226.10956	0.8
227.11739	9.1
237.10164	1.6
238.11061	1.5
239.11774	2.1
241.09723	0.9
241.13268	0.7
242.11774	0.6
249.10176	0.7
251.11766	1.6
252.08662	0.7
253.09694	1.8
261.12341	0.7
265.09698	1.5
267.11270	1.8
269.12769	8.0
269.15485	0.6
271.10727	3.9
276.10742	0.6
277.09711	0.8
279.11227	0.9
283.10666	5.4
284.11383	3.0
285.12250	5.1
287.13824	24.6
294.11890	1.5
295.10812	1.2
297.12326	2.2
299.15097	0.6
300.12256	0.8
301.12012	0.9
302.12659	0.9
313.11713	16.0
314.12628	0.9
315.13434	0.9
316.14468	3.1
317.14856	0.6
323.10172	1.5
324.11188	1.2
327.17374	0.7
328.14438	0.7
329.11597	1.4
329.15280	1.4
330.12314	1.7
330.16022	3.0
331.12854	6.2
331.16815	4.9
341.11603	0.8
342.12335	2.8
343.13306	1.5
344.13864	1.0
344.17401	3.7
345.14377	16.5
354.16177	0.7
355.13605	0.8
356.14038	1.8
357.14893	2.1
358.15445	4.4
363.15268	2.3
365.10922	0.7
368.17572	0.9
370.15427	1.6
372.17133	3.0
382.11621	1.1
383.12506	0.8
384.13290	7.4
385.13873	2.7
386.14346	3.7
386.18808	2.0
388.16553	1.0
390.18112	3.7
391.18729	0.8
392.19803	0.7
398.14917	10.6
399.15665	16.0
400.16464	25.3
401.17282	0.9
402.14243	0.8
412.16568	1.0
413.17001	0.6
414.18005	4.3
415.18665	1.9
416.16107	2.1
417.16837	6.2
418.17435	6.6
429.41507	0.6
430.17569	1.8
431.18271	2.4
440.15955	5.0
441.16852	0.9
442.17938	0.9
444.15726	1.9
458.17014	20.0
458.33377	0.6
459.17737	12.2
460.18573	1.4
477.37582	2.0
490.11948	0.6
490.19666	1.4
494.35663	0.8
555.26147	1.0
557.23499	1.0
581.23962	1.6
599.24860	100.0
600.25031	4.6
617.25696	0.8
631.27472	43.9
632.27759	1.9
760.39392	0.9
761.30475	1.8
762.10309	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.6
55.01847	1.0
55.05500	14.5
57.03421	6.5
57.07070	2.8
59.04980	1.4
60.08149	2.4
60.34415	0.6
61.02913	3.2
62.70087	0.5
65.03925	2.5
67.05490	70.2
68.05824	0.8
69.03419	1.9
69.07056	12.1
71.04980	25.2
71.06720	0.6
71.07016	0.9
71.07366	1.1
71.08609	0.8
73.02910	1.1
78.54245	0.5
79.05476	32.1
79.89295	0.5
81.03409	1.4
81.07039	100.0
82.07388	1.7
83.04966	4.8
83.06612	0.4
83.08601	7.4
84.08144	0.6
85.02870	3.5
85.06520	9.0
85.10178	0.7
86.09686	9.0
87.04430	0.5
87.65895	0.5
91.03936	1.3
91.05457	28.3
93.07022	41.8
94.07349	0.7
95.04946	4.1
95.08586	29.8
96.46873	0.5
97.02862	2.3
97.06490	5.1
97.10164	2.7
99.08093	1.9
105.04528	0.7
105.07009	16.4
107.08574	22.6
108.08920	0.7
109.06506	2.1
109.10133	14.2
111.08067	2.3
111.11719	0.7
117.06990	5.5
119.08560	10.2
121.10111	18.6
123.08044	1.0
123.11675	16.0
124.99966	6.0
125.09582	1.0
127.03889	0.6
131.08525	9.4
133.10101	20.8
134.10468	0.8
135.08029	0.7
135.11665	11.8
137.09529	0.5
137.13196	1.1
139.11157	0.9
143.08540	0.8
145.10080	5.3
147.11650	4.4
149.09608	0.8
149.13235	7.6
151.11127	8.6
151.12169	0.8
153.12703	1.1
159.11671	6.7
161.13235	3.7
163.14769	0.9
163.97879	0.5
169.10115	0.6
169.12231	1.2
171.11658	0.8
173.13205	2.8
175.14774	0.8
177.12729	2.1
183.13805	2.8
184.07303	34.8
185.13174	0.8
187.13249	4.7
187.14719	1.1
189.16307	0.7
195.13831	1.9
201.16394	0.6
213.14751	0.8
227.16409	2.4
243.15971	1.1
243.20982	0.8
253.17912	0.8
257.17484	1.9
259.20651	0.6
261.22144	2.4
269.17413	6.4
285.17096	0.5
301.20023	24.2
302.20471	1.0
317.24597	0.8
335.25702	24.4
336.26160	1.3
411.32394	1.1
437.34149	1.5
485.36194	4.8
503.37210	86.5
504.37518	7.9
511.37448	1.3
517.38660	3.5
529.18237	0.5
529.38788	17.6
530.39026	1.6
547.39960	0.9
561.41382	91.3
562.41711	9.9
758.56616	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2167
Annotation	Quercetin 3-rhamnosyl-(1->2)-rhamnosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
53.03923	0.3
55.01847	0.3
55.05484	0.5
57.03186	0.1
57.03429	1.9
59.04977	0.2
59.37523	0.1
61.02903	0.4
62.50236	0.1
67.05472	0.2
68.99778	0.3
69.03419	1.8
69.59573	0.8
70.06582	0.2
71.01333	0.3
71.04980	11.4
72.05341	0.2
73.02915	0.8
74.12168	0.1
75.04468	0.7
79.05474	0.2
81.03404	0.7
81.07019	0.2
83.04961	2.6
84.08092	0.2
85.02890	16.4
86.03211	0.2
86.09705	0.2
87.04441	0.5
91.03864	0.1
91.05422	0.1
93.03376	0.2
93.07053	0.1
95.04951	0.7
95.08574	0.2
97.02868	1.2
97.06528	0.2
99.04441	0.8
103.03877	0.1
105.07019	0.2
109.02857	0.6
109.06477	0.2
111.00770	0.7
111.04423	1.7
117.05485	0.3
121.02846	0.5
122.06073	0.1
123.04391	0.2
123.11668	0.4
125.05948	0.4
127.03909	0.9
129.05455	4.4
135.04340	0.2
137.02304	1.7
137.05965	0.3
145.04893	0.5
147.06488	2.1
149.02266	0.2
153.01801	1.8
153.05444	0.9
163.03932	0.3
163.05940	0.7
165.01807	1.3
166.02640	0.2
171.06470	0.3
172.03911	0.2
173.05951	0.2
183.02873	0.6
183.04361	0.2
187.03923	0.2
191.14272	0.2
195.02832	0.2
201.05418	0.9
201.07306	0.2
207.13803	0.3
209.15434	0.2
213.07460	0.2
216.94974	0.1
225.14804	0.2
228.04018	0.2
229.02834	0.2
229.04932	2.7
229.07031	0.3
239.03386	0.1
239.09048	1.0
247.05971	0.5
257.04367	1.5
257.10141	0.4
274.04733	0.4
275.05447	0.2
275.11176	0.4
285.03943	1.0
303.04929	100.0
304.05267	4.6
315.05002	0.2
333.16977	0.2
343.50308	0.1
345.05933	0.7
351.18051	0.4
369.06027	0.2
369.19025	0.4
395.07565	0.1
413.08508	0.2
447.76404	0.1
449.10709	0.9
465.10190	2.7
541.95856	0.1
549.79950	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04957	1.2
67.05443	0.9
69.07066	2.5
69.31728	4.8
70.06532	1.6
72.08089	0.6
79.05443	0.7
80.04954	0.6
81.27036	0.5
84.08065	1.8
86.09647	0.8
87.04406	1.4
89.06007	4.8
91.05412	1.1
91.35881	0.5
94.06507	2.3
98.20785	1.2
106.06532	6.1
107.07257	0.9
108.08055	1.5
110.07139	0.6
115.16243	0.6
118.21981	0.5
120.08044	1.2
122.06002	7.5
123.04340	0.6
123.06764	0.6
124.07581	5.5
130.08549	1.5
131.06982	0.5
133.08557	3.2
134.05949	1.2
136.07558	10.8
138.05376	0.7
138.67650	0.5
140.07039	13.6
146.06001	4.2
146.09567	1.3
147.06694	0.6
148.07550	6.4
150.09106	0.9
152.06967	2.1
154.08537	1.1
156.04736	0.6
162.05463	0.8
164.07062	7.1
166.08609	63.2
167.06880	2.0
167.08987	1.0
168.07367	0.9
172.02734	0.5
172.03917	5.3
173.04579	0.8
173.28517	0.6
174.05467	7.6
176.07010	11.8
177.11127	0.9
190.04877	2.2
191.05679	0.7
192.06403	1.6
192.10165	0.6
199.08932	0.5
204.06531	7.3
206.08090	1.3
208.09734	0.6
209.10841	0.9
210.11403	1.0
211.12257	1.3
216.10143	1.2
218.08159	3.3
221.10588	0.6
221.13814	0.7
222.11436	0.6
223.12224	0.9
224.09567	0.6
224.12971	0.8
225.10143	2.6
225.13785	0.9
226.10896	0.8
227.11685	1.9
229.13329	1.4
235.08638	0.7
235.12256	2.1
236.12947	1.3
237.10197	4.4
237.13786	1.7
238.10928	5.7
239.11749	8.4
240.12230	0.9
243.11159	1.6
245.09418	1.3
247.12238	0.7
248.09402	2.2
249.10153	4.6
250.10910	4.8
251.11763	12.5
252.12445	2.1
253.09509	0.8
253.13335	2.6
255.11325	1.3
261.12338	3.0
263.11749	17.1
264.08624	0.8
264.12558	3.4
265.09689	8.5
265.13290	31.9
266.10556	1.1
266.13928	2.6
267.11240	3.6
267.14203	0.6
268.11954	1.3
269.12701	2.7
270.13504	0.9
271.10928	0.8
271.14359	7.4
277.09668	5.0
277.12912	1.2
278.10339	3.1
279.11200	45.0
280.11862	5.1
281.12701	3.8
282.13562	1.8
283.10568	1.7
283.14127	1.0
284.11508	1.3
285.12299	4.2
287.13782	3.2
289.15442	3.6
291.11176	8.7
292.11893	2.0
293.05753	1.1
293.09634	1.0
293.12766	8.1
294.13470	2.2
295.07654	1.1
295.10684	6.7
295.14267	1.8
296.11438	3.1
297.12286	64.1
298.12970	8.4
299.13809	3.1
307.11041	0.8
309.12274	49.2
310.13031	21.6
311.13803	9.0
312.14505	2.0
313.11792	2.9
315.13315	1.0
319.10696	8.2
320.11557	1.9
321.12280	3.3
323.09943	1.0
323.13641	0.9
324.10889	0.9
325.11658	2.4
327.13104	1.3
330.12576	0.7
331.13187	1.0
337.11746	78.7
338.12512	32.1
339.13300	22.3
340.14111	1.8
341.15012	3.0
345.14551	1.1
355.12955	0.9
360.16971	0.7
369.14423	17.6
369.19067	1.1
370.15173	4.9
371.15961	6.5
382.14029	1.1
386.15060	1.0
392.15491	0.8
392.19809	1.9
400.16556	6.3
401.17416	2.5
402.18103	1.3
410.17361	15.6
410.22769	0.8
416.12473	0.9
418.17673	3.2
419.18030	1.1
434.13614	0.8
442.17389	1.4
450.20157	1.4
458.13678	6.5
459.14429	2.0
459.27655	1.3
460.18707	8.0
461.19269	1.9
478.19656	16.8
478.26703	0.9
496.20502	2.8
510.22281	27.3
511.22647	1.3
581.20557	2.6
582.21240	2.2
585.52405	0.7
599.21545	15.9
600.22205	0.6
601.26471	13.2
602.26746	0.7
633.28925	6.7
642.19147	0.6
667.34235	0.7
676.28723	0.8
704.27496	1.6
722.28351	100.0
723.28894	6.6
754.30969	27.6
755.31262	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	754.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.6
55.01860	2.0
55.05481	0.3
56.04995	0.5
57.03386	1.1
67.05453	0.9
68.04977	0.9
68.99757	1.1
69.03389	0.8
69.07043	0.4
70.06573	2.4
71.04974	5.0
71.53206	0.4
72.08096	0.8
72.18722	0.3
72.58887	0.3
73.02859	0.8
75.04443	0.5
76.02224	1.7
79.05451	0.8
80.04967	0.8
81.03399	1.7
81.06994	0.4
82.06547	1.6
83.04931	1.0
83.06087	5.6
84.04487	8.4
84.08074	1.1
85.02888	6.8
85.03986	0.4
86.06037	0.5
86.09643	1.1
88.02192	0.4
91.05428	0.6
93.07012	0.4
94.06504	0.6
95.04947	4.5
95.06038	0.5
96.04470	1.6
97.02830	0.4
98.05994	1.4
99.05555	1.6
100.03951	0.7
105.06956	0.5
107.04919	0.8
107.06049	3.4
108.04459	2.9
108.08055	0.3
109.02835	2.0
109.06471	0.7
109.07623	7.8
110.05988	1.3
110.07133	1.5
111.00715	0.4
111.04426	2.4
112.03979	1.7
112.07549	1.4
114.05460	0.5
120.08049	0.5
121.02802	0.4
121.06455	0.8
122.05924	0.7
123.00760	3.3
126.05496	1.9
127.03894	0.5
127.04983	0.6
129.05542	0.5
129.06567	8.9
130.04176	0.4
130.04982	4.9
131.04448	0.4
132.07993	0.5
133.06371	0.4
135.05443	1.0
136.03911	7.5
136.07527	1.2
137.02260	0.3
137.05943	0.6
137.06984	0.3
140.01622	0.4
140.03413	0.5
140.06984	0.9
142.04932	0.5
145.02702	0.4
145.06033	1.3
147.04393	0.9
148.07487	1.5
149.00467	0.3
149.05907	0.3
150.09061	0.7
151.03845	0.4
152.06995	0.6
153.00041	2.0
153.01796	9.0
153.05403	0.5
153.06564	9.5
154.04910	0.7
154.08604	0.3
155.08119	8.0
161.04373	0.3
161.05869	0.4
162.02147	0.9
163.02031	0.5
163.03857	0.5
165.00040	0.7
165.01781	1.2
166.00851	0.8
167.06966	0.8
168.05238	0.4
176.04665	0.7
176.06999	1.3
177.00037	1.9
177.03230	1.1
177.05370	0.7
178.08609	2.5
179.01595	5.4
179.03140	0.4
179.04788	0.8
179.07013	0.5
180.73552	0.3
180.99458	1.3
181.00926	0.3
181.06046	3.0
181.12166	0.3
183.02649	0.3
186.06288	0.5
187.05334	0.7
189.00006	0.4
191.01625	1.5
191.03088	0.3
192.99538	2.9
193.05998	0.9
193.12044	0.5
194.08070	0.3
195.01006	0.8
195.02814	0.4
196.05965	0.4
196.99014	1.1
199.07101	9.8
203.01563	0.8
204.06508	0.6
204.99577	0.7
207.01077	7.4
209.02707	0.5
211.07097	2.3
215.03302	0.7
219.01093	1.0
220.98979	8.3
221.02348	0.4
222.07562	8.2
223.13347	0.4
231.01022	1.8
231.04070	0.4
233.02689	0.9
233.05872	0.5
235.00473	1.9
239.00003	6.7
239.02257	0.6
240.08661	0.5
243.00777	0.4
243.02840	1.3
244.03671	0.9
247.00555	1.2
249.02068	1.0
256.09253	0.7
257.07599	3.2
259.00488	4.1
261.04031	2.5
263.00031	1.6
265.01593	0.6
271.00513	2.7
273.04132	0.3
274.04727	0.4
275.00061	0.5
277.01590	15.5
285.02057	2.0
285.17130	0.3
287.00006	2.8
288.00739	2.3
289.01508	0.8
291.09799	0.4
298.04807	0.7
299.00067	0.6
300.02606	2.5
301.03598	0.5
302.04175	1.6
303.02975	1.4
303.04996	1.6
305.01074	100.0
306.01443	3.1
308.08969	1.8
312.04904	0.4
313.03662	4.3
314.02676	0.6
314.99533	0.7
316.00302	0.9
317.01059	9.1
317.04752	0.6
326.04297	0.5
327.06287	0.6
329.01129	0.8
331.02637	13.6
332.03107	0.4
333.00555	38.9
334.00818	1.2
335.02103	12.4
341.01074	2.2
341.06860	0.5
345.00864	0.3
347.01996	0.4
358.03815	0.4
359.02121	17.5
360.02414	0.4
376.04807	4.4
387.06903	0.7
442.05777	4.8
461.05972	0.6
462.04813	20.0
463.05161	0.4
470.05249	2.6
479.07471	49.9
480.07724	1.8
533.08508	18.7
534.08624	0.8
545.00287	0.7
545.08502	10.1
546.08893	0.3
553.13550	0.3
575.09290	0.6
590.10651	1.1
591.08905	0.5
592.28119	0.5
608.11676	40.0
609.11920	1.4
625.11115	0.7
643.11340	0.6
650.12616	1.0
656.14111	0.4
657.53070	0.4
674.12585	0.4
700.14258	3.0
744.46844	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.6
53.51479	0.3
55.01836	0.5
55.05484	0.5
56.05017	0.6
57.03452	0.4
59.04990	0.4
67.05495	1.7
68.05012	0.5
69.03424	1.1
69.07059	2.8
70.06573	5.8
71.04973	0.9
71.52847	0.4
72.08144	1.5
73.02892	0.5
76.02208	0.5
79.05505	0.8
80.05035	0.4
81.03391	1.0
81.07043	1.1
82.06566	1.1
83.04949	0.7
84.04498	1.0
84.08128	6.7
85.02886	2.0
86.06049	2.1
86.09680	1.2
87.04465	0.5
88.02195	0.4
91.05466	1.3
93.07032	1.0
94.06556	2.6
95.04948	1.6
95.08582	0.6
96.08103	0.5
97.02871	0.9
97.06532	0.5
98.09691	0.4
100.07587	0.6
103.03912	0.4
105.07022	1.2
106.06509	0.4
107.04306	0.4
107.04900	1.9
107.08559	0.8
108.08100	1.4
109.02883	0.6
109.06487	0.5
109.10143	0.6
110.05988	0.7
111.04448	0.4
112.07594	0.7
113.05989	0.4
116.10695	3.2
117.07001	0.5
118.06501	0.6
119.04929	0.7
119.08542	1.0
120.04506	0.6
120.08102	1.0
121.05214	0.4
121.06480	0.4
121.10095	0.6
122.06001	11.9
123.04429	0.8
124.07596	1.2
126.05504	0.5
127.03905	0.6
130.08614	12.0
131.04919	0.4
132.01134	0.6
133.10155	0.7
134.06036	1.1
136.07529	1.7
137.05965	1.0
138.05521	0.7
140.07036	22.5
142.08618	1.4
144.04427	0.7
144.08034	0.4
145.05150	0.4
145.10072	0.6
146.05977	7.6
146.08018	0.5
147.04405	0.6
147.11684	1.1
148.07561	1.3
149.05983	1.0
149.09579	0.5
152.06981	0.5
154.04974	0.5
160.58582	0.3
162.05447	1.1
162.07565	4.9
164.07047	0.4
166.08632	0.7
167.06960	2.3
172.03905	6.0
172.07556	0.5
173.04666	1.3
174.05475	13.3
175.03918	0.6
175.06047	0.4
176.07014	4.4
177.05452	1.2
181.04955	0.5
182.09702	0.5
183.14925	0.9
187.08820	0.4
188.03635	0.6
190.04968	2.7
191.05682	2.2
192.06474	2.4
196.52231	0.3
197.10733	0.7
198.09190	0.4
199.12384	0.8
204.06514	14.5
205.06839	0.5
206.08031	4.9
207.06525	1.4
209.08037	0.5
210.09201	0.7
211.08684	1.0
211.14510	0.5
212.09285	0.6
212.16389	3.6
213.10178	0.6
213.16406	0.4
216.10277	0.5
223.04256	0.5
223.08749	0.7
225.10149	4.1
226.08745	0.5
226.10944	0.9
227.11737	7.8
227.13943	0.5
228.12181	0.5
230.17462	1.9
235.12206	0.4
236.09329	0.4
237.10251	1.8
238.10881	0.9
239.11714	2.4
240.10219	0.4
241.09727	0.7
241.13312	0.4
243.11235	1.2
249.10216	1.6
250.11096	0.7
251.11726	2.5
253.09724	2.9
261.12311	0.6
263.08118	1.2
263.11795	1.0
264.08789	0.5
265.09714	2.5
265.13394	1.1
266.10480	0.9
267.11221	3.9
269.12808	7.2
271.10767	2.7
277.09717	1.4
278.12985	0.6
279.11118	2.6
279.13586	0.4
280.11823	0.7
283.10715	4.9
284.11505	4.2
285.09354	0.7
285.12289	5.8
287.13812	16.7
288.14124	1.0
291.11353	1.0
293.09323	0.6
293.12595	0.7
294.12000	1.1
295.10782	1.9
296.11575	0.6
297.12225	3.4
298.12961	0.7
301.12088	0.6
302.12863	0.8
303.13391	1.4
307.10632	0.7
309.12119	2.2
311.13846	1.0
313.11719	17.9
314.12476	1.0
315.13696	0.7
316.14560	2.2
319.10532	0.5
321.12073	0.5
323.10120	2.2
323.13760	0.5
324.13727	0.9
325.11758	2.9
326.16452	0.5
327.13644	0.9
327.17322	0.5
328.14557	1.1
329.11566	1.3
329.15247	1.3
330.12314	1.1
330.16006	2.0
331.12881	6.1
331.16791	3.2
332.13327	0.5
332.17288	0.8
336.10742	0.5
337.11707	2.0
338.12265	1.0
339.13428	1.3
340.14536	0.8
342.12378	1.9
342.16055	1.3
343.13025	2.0
343.16699	0.5
344.13824	0.9
344.17566	2.5
345.14404	8.9
345.18268	0.8
352.13522	1.1
353.11728	0.5
354.12277	0.8
354.16269	0.9
355.13379	1.3
356.13760	2.8
357.14804	2.0
358.15436	4.8
359.14972	0.8
363.15344	1.3
365.11273	0.8
366.16055	1.0
367.12997	0.6
368.13754	0.8
368.17783	0.7
370.11563	0.6
370.15466	3.5
371.16428	1.0
372.17102	2.5
380.14728	1.2
382.11511	0.7
382.15598	1.5
383.12775	1.4
384.13220	6.0
385.13904	2.6
386.14539	2.9
386.18802	1.0
388.16602	0.8
390.18118	2.5
394.15567	1.0
397.14493	0.7
398.14908	10.7
399.15665	11.6
400.16492	17.4
401.16803	1.1
402.14417	1.2
403.18967	0.6
404.22928	0.9
412.16534	2.1
413.16995	0.5
414.18256	3.8
415.18750	1.5
416.12158	1.2
416.16208	1.6
417.16791	4.3
418.17578	4.5
422.14954	1.1
428.12619	0.6
430.17575	3.2
431.18430	2.6
432.18985	0.4
440.15982	9.6
441.16574	3.1
442.17453	1.1
444.15564	1.2
453.22104	0.5
456.12131	3.1
457.12704	1.8
458.17130	19.7
459.17764	8.8
460.18365	1.8
466.19974	2.0
476.28522	2.0
490.20084	1.9
498.22198	2.2
511.22946	0.4
540.23218	0.5
555.26306	0.6
557.24030	0.9
572.33972	1.4
581.23926	2.5
590.36151	0.4
597.19977	9.0
598.20392	0.9
599.24872	100.0
600.25171	8.4
617.26074	2.5
629.22278	2.0
631.27490	29.0
632.27325	2.1
638.34460	0.6
720.26923	2.5
752.27692	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77349	0.2
54.03462	0.3
55.01860	9.3
55.05477	0.2
57.03419	1.3
60.04500	0.2
60.46508	0.2
61.02901	0.3
64.39492	0.3
67.05454	0.2
68.05002	0.6
68.99793	0.2
69.03407	0.7
70.06580	17.0
71.01335	0.3
71.04976	7.2
71.55226	0.5
72.08152	0.2
73.02912	0.2
75.04454	0.4
81.03396	0.5
81.69236	0.2
83.04965	0.5
84.04482	2.8
84.08125	0.5
85.02886	10.0
86.09653	0.3
87.04456	0.3
94.06541	0.4
96.04469	47.0
97.02866	0.4
97.04768	0.4
98.05965	0.3
103.05489	0.3
105.07018	0.3
107.04932	0.7
109.02852	0.4
111.04401	0.5
114.05504	100.0
115.05840	0.8
117.05424	0.2
119.04926	0.2
119.08595	0.2
121.02838	0.5
121.06508	0.2
121.75248	0.2
122.06000	5.0
123.06380	0.2
127.03888	0.5
129.05460	2.5
130.08630	0.4
137.02312	14.8
137.03319	0.6
137.05925	0.3
145.04921	0.4
147.04373	0.8
147.06516	0.7
149.02251	0.6
149.05994	0.4
151.03880	0.2
163.03882	2.4
165.05466	0.4
167.07001	0.8
175.03880	2.7
177.05405	0.4
179.03331	1.2
187.03867	0.3
191.03352	3.7
191.48743	0.2
197.05933	0.3
203.03300	0.6
205.06528	0.3
205.08563	0.5
211.07582	0.4
217.08516	0.5
221.05882	0.4
223.04199	0.5
232.11772	0.3
239.06970	1.2
249.05415	0.6
253.04869	0.3
255.06383	0.6
257.08047	0.6
267.06454	1.4
276.10706	0.6
283.06149	0.5
285.07541	0.9
295.05783	1.2
311.05515	0.5
313.06970	5.6
315.05121	1.5
323.05469	0.6
324.06323	0.4
326.04230	0.3
329.06476	54.6
330.06769	1.0
330.10425	0.4
341.06476	68.1
342.06815	2.4
351.08435	0.4
352.07880	0.5
380.11264	1.1
383.14883	0.9
398.12250	7.6
401.15906	1.4
406.09177	1.5
409.08829	0.4
419.17053	0.4
424.10162	11.2
427.17456	0.5
442.11237	54.5
443.11603	1.8
457.11292	0.6
475.12262	4.7
487.12152	3.5
491.11630	0.3
544.18048	1.6
560.17474	0.4
570.07361	0.5
570.15900	7.0
571.16290	0.3
586.15259	0.7
588.16986	12.2
589.17358	0.7
732.20917	0.5
771.65094	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39110	0.3
58.99853	0.6
60.24511	0.3
64.10668	0.3
66.68816	0.2
77.00876	0.8
82.99870	0.7
84.08108	0.4
85.02870	0.3
91.05451	0.3
94.99852	0.8
97.02865	0.3
101.00854	1.9
103.02446	0.6
105.00358	0.6
113.00824	1.8
115.02422	3.7
117.04000	3.4
119.01904	8.9
119.04895	0.9
121.03474	0.5
125.00822	0.4
127.02355	0.7
129.00299	0.3
129.03972	0.6
131.00896	0.6
131.01886	13.2
133.03441	8.9
135.05017	6.6
137.00829	0.9
137.02910	1.0
139.02322	0.4
141.03926	1.1
143.01868	8.1
145.02431	0.5
145.03464	8.2
147.01361	1.4
147.04207	2.3
149.02942	1.5
151.04466	1.1
153.03880	0.8
154.03476	0.3
155.01871	18.0
155.05434	0.6
156.02753	2.2
157.03430	4.1
159.05006	19.7
160.05151	0.6
161.02934	10.5
161.06555	1.0
162.03073	0.5
163.04538	5.4
167.01840	0.3
169.03416	0.5
171.05002	27.0
172.05148	0.8
173.02936	19.5
173.06563	6.5
174.03287	0.4
175.04501	3.2
177.02428	0.3
177.06084	10.1
178.03522	0.3
178.06247	0.5
179.04002	0.5
181.03453	0.5
183.04988	2.2
185.02953	2.1
185.06587	2.6
187.04472	2.0
187.08151	0.5
189.06053	23.4
190.06204	0.7
191.03966	0.6
191.07635	2.8
195.05045	1.0
196.04561	0.4
197.03053	0.4
199.04468	1.2
200.07744	0.4
201.06049	13.2
202.06161	0.4
203.03972	7.8
203.07599	3.9
204.04152	0.4
205.05533	1.4
209.02917	0.4
211.04485	0.6
212.07628	0.8
213.06055	7.9
214.05946	0.3
215.04015	0.6
219.07106	6.7
221.05035	43.0
222.05257	1.5
223.04358	0.5
231.07092	1.1
237.02740	0.7
239.06107	1.4
241.05585	0.4
243.07097	5.9
244.06699	1.1
245.61757	0.3
247.04384	0.7
249.08174	0.4
257.04794	0.3
259.06680	1.6
261.08160	60.2
262.08371	2.9
279.09210	85.3
280.09430	3.1
281.04977	0.4
281.08997	0.3
284.09842	0.3
295.06979	0.6
299.06085	0.5
302.10770	2.7
321.10272	3.1
333.06519	0.5
333.10257	4.8
357.10233	0.5
375.11285	2.1
393.12350	100.0
394.12628	3.8
409.09967	0.3
411.13846	0.3
425.13190	1.3
453.10999	0.4
467.11929	0.4
514.65179	0.3
539.15955	0.9
557.17340	1.9
567.14050	0.3
581.13354	1.3
585.15393	0.6
599.14771	2.1
617.15063	0.5
713.17566	4.0
731.05817	0.5
731.18671	8.8
732.18622	0.6
749.19940	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	748.5399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	0.6
55.05496	1.7
57.07063	36.0
59.04987	16.1
59.34325	0.3
60.08144	0.6
67.05505	0.5
69.03412	0.7
69.07049	2.3
70.06557	0.4
70.59303	0.8
70.59705	0.6
71.04977	0.7
71.08617	68.7
72.08962	0.7
73.02900	1.6
73.06544	5.2
79.05479	0.5
81.07048	0.6
83.08601	0.7
84.08122	0.3
85.06496	0.4
85.10165	37.3
86.09702	3.6
87.04449	18.8
89.06010	100.0
90.06345	1.1
90.72588	0.3
91.07582	0.7
95.08578	0.6
97.10161	0.8
103.07569	6.3
107.07042	3.9
109.06315	0.3
109.16157	0.3
111.11661	0.4
113.05949	0.9
117.09109	4.7
119.08499	0.4
124.99963	1.7
125.98890	0.3
127.14782	4.5
130.08609	4.6
131.07011	6.4
131.10625	0.4
133.08575	74.3
134.08897	0.6
141.16354	0.5
151.09599	0.5
157.08519	0.4
159.10086	0.5
161.11662	1.8
167.17978	0.5
175.09636	5.2
175.13242	0.5
177.11185	33.4
178.11536	0.5
179.12738	0.7
179.84557	0.4
184.07307	10.4
185.18983	6.2
193.10606	0.4
198.03378	0.4
202.20966	0.3
219.12161	3.1
221.13774	7.0
223.15329	0.8
229.21550	5.8
235.15343	0.5
239.14809	1.8
263.15054	0.5
265.16479	1.7
267.18106	0.5
273.24139	1.0
283.17419	3.4
309.18979	1.4
327.20047	2.7
353.21701	2.0
371.22549	1.2
397.23935	0.9
415.25174	0.6
441.26678	0.9
459.27597	1.0
485.29016	0.5
503.30289	1.5
529.31714	0.9
547.33203	8.3
564.76056	0.5
587.36505	1.9
712.44543	0.6
731.51306	2.3
748.53857	8.1
749.53473	0.6
778.76245	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	0.3
53.03935	1.1
55.01857	2.7
56.91016	0.2
57.03436	0.3
60.64822	0.2
63.02317	0.4
65.03600	0.3
65.03928	4.8
66.04697	0.4
67.05492	2.5
68.00816	0.2
68.99776	0.5
69.03410	1.6
69.07033	0.4
70.06575	0.8
71.04965	1.0
72.04484	0.3
73.02907	0.5
75.04471	1.9
77.03916	0.6
78.04691	1.7
79.05476	5.3
81.03402	1.7
81.07040	2.2
82.04179	1.0
82.06590	0.4
83.04978	0.3
83.08631	0.3
84.04475	0.5
84.08133	1.1
85.02889	4.9
85.06527	0.7
86.00584	0.3
87.04452	0.3
89.03901	0.9
89.06007	1.1
90.04687	0.4
91.05461	8.9
92.02602	0.3
93.03391	7.5
93.07020	3.4
94.04192	0.4
95.04955	5.5
95.08579	0.9
97.02861	0.7
97.06517	3.1
101.06016	0.4
102.04659	0.7
103.03982	0.7
103.05441	19.4
105.03365	1.8
105.04508	0.7
105.07015	7.3
106.04153	12.9
107.04939	9.9
107.08572	0.5
108.02081	0.7
108.05763	0.3
109.02836	0.7
109.06487	1.8
110.03637	1.7
111.04416	1.8
115.03905	0.4
115.05426	5.1
116.06236	0.5
117.03357	0.8
117.06994	4.2
118.04137	4.8
119.04926	2.4
119.08528	0.8
120.05677	0.9
121.06478	17.9
121.10121	0.3
122.03640	0.5
122.05956	0.4
123.00652	0.3
123.02623	0.5
123.04410	4.3
123.08073	0.6
124.05181	2.5
125.05964	7.8
126.09118	0.4
128.06216	0.8
129.06966	1.7
130.04128	1.0
130.08588	0.5
131.04901	18.8
131.08524	1.2
132.05766	2.0
133.02827	1.3
133.06462	7.9
133.10066	0.3
134.03606	2.8
135.04388	1.4
135.08026	2.5
137.05939	4.9
138.03081	0.7
138.06622	0.3
139.03871	0.4
139.07535	1.8
140.04677	0.5
141.06938	0.7
142.02556	1.3
143.04880	1.0
143.05948	0.4
144.05632	1.8
145.02815	0.9
145.06451	4.9
146.03619	1.2
146.07208	0.5
147.04398	1.6
147.08011	2.2
148.03967	0.7
148.05153	11.9
149.05949	26.2
149.13184	0.4
150.06265	0.5
151.02068	0.9
151.03879	3.1
151.07498	2.6
152.04660	1.9
152.08284	0.4
153.05449	3.3
153.09067	7.1
154.06084	0.4
155.05972	0.8
155.07053	0.7
155.14278	0.8
156.05624	0.4
157.06448	1.1
158.03601	0.4
158.07211	0.3
159.04373	1.0
159.08011	1.6
160.05156	1.2
161.04596	0.6
161.05945	10.6
162.01320	1.3
162.03142	0.4
162.06430	0.5
162.07689	3.3
163.02161	0.6
163.03835	1.8
163.07507	20.6
164.07880	0.6
165.05421	1.5
165.09094	0.5
166.02579	0.3
166.06158	1.1
167.07004	57.9
168.07385	1.7
171.04341	0.8
171.06532	2.8
171.07869	0.5
172.05235	0.3
173.05946	5.2
173.58632	0.3
174.06659	0.9
175.07494	3.1
176.04643	3.0
177.05432	18.3
177.09006	1.0
178.06113	0.9
178.07639	0.3
179.01553	0.9
179.06978	1.7
179.08427	0.5
180.07690	0.5
181.04919	67.1
181.08490	15.4
182.05235	1.4
182.09058	0.4
183.06456	0.6
184.05170	0.3
185.05881	0.7
187.07469	3.1
189.05396	1.0
189.09024	0.6
190.00839	1.4
190.06212	1.2
191.06987	90.1
192.07549	2.9
193.04881	1.1
193.08585	2.8
194.05638	0.3
195.06491	4.1
195.08102	0.2
197.05789	0.3
201.05400	1.8
202.06219	0.5
203.06996	2.7
203.14362	0.3
205.06654	0.3
205.08536	3.8
206.05560	0.3
207.06476	1.5
207.08208	0.5
207.10374	1.5
208.01860	1.3
208.08868	0.4
209.08041	100.0
210.06726	0.3
210.08400	2.4
211.07463	0.4
213.05435	0.5
217.08545	1.9
218.09306	0.5
219.06415	1.0
219.08110	0.7
219.10062	5.1
220.07141	0.5
221.06004	0.5
221.08012	0.8
223.04185	17.6
223.07587	0.6
223.09596	0.6
224.08289	0.4
225.07448	1.6
228.12704	0.3
229.08470	0.6
231.06403	1.1
231.15877	0.4
233.05791	0.5
233.08022	5.6
234.06584	0.8
234.08768	0.6
235.07436	1.8
235.09563	5.6
236.08110	0.8
237.05409	0.4
237.09000	0.6
241.08475	0.6
245.08038	2.0
246.06676	0.4
247.07394	0.7
249.05331	0.5
249.08980	0.4
251.06810	0.4
251.09084	0.7
252.07727	0.8
253.08539	0.5
253.12930	0.4
255.06520	0.4
255.10152	0.4
257.08154	0.7
263.09097	24.3
264.07654	1.0
265.08368	0.9
266.09109	0.3
267.10080	3.1
269.07919	0.4
269.11514	0.7
269.17432	0.4
271.09528	0.5
277.08447	0.7
279.06488	0.4
279.10114	1.0
280.07065	0.4
281.07889	0.6
283.09586	0.6
289.10605	0.5
292.07205	0.5
293.07840	0.8
294.11740	0.7
295.09448	1.5
297.07825	0.4
297.11084	2.0
306.08893	0.4
307.09497	1.5
309.07452	0.6
309.10938	0.5
310.08136	0.4
312.09030	2.9
313.10892	0.5
322.08218	0.3
323.09103	0.4
324.09995	0.3
325.10596	2.9
327.12109	0.8
329.13724	0.8
330.09888	0.6
331.11752	0.6
335.08939	0.6
337.10532	0.8
339.12112	1.4
353.10242	0.7
355.11716	0.8
357.13275	6.6
358.13126	0.4
359.14716	1.0
361.21875	0.6
367.11646	2.4
369.13208	1.5
371.14728	0.8
381.13129	0.9
385.12701	12.2
386.13052	0.6
387.14175	1.6
389.15875	0.7
399.14343	3.4
417.15359	18.7
418.15466	1.2
465.30219	1.1
537.25220	0.3
577.20343	0.6
609.22668	0.9
634.25043	0.3
650.29547	0.3
655.21313	0.3
692.73676	0.3
775.45282	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.5195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00283	1.4
55.05492	2.9
57.03427	3.5
57.07066	100.0
58.04218	7.2
59.04708	2.5
59.04991	39.5
65.63241	1.1
67.05486	4.4
69.07043	4.6
69.42488	1.8
69.42831	11.0
71.04968	1.6
71.08618	76.0
72.05769	11.4
73.02908	7.8
73.06539	17.2
74.06089	1.3
81.07041	4.0
83.04909	1.2
83.08587	3.6
85.10168	59.3
86.07268	1.6
87.04454	21.0
87.08079	3.1
88.05246	3.1
89.06014	20.8
90.01900	29.9
95.08598	3.5
97.10134	3.9
98.20764	2.8
99.11716	9.7
101.06022	2.2
101.09603	2.2
102.06760	1.2
103.07545	9.9
109.10119	1.8
113.13255	4.1
115.07551	1.8
116.08319	2.9
117.09107	16.7
130.08574	1.9
131.07040	1.9
133.08592	12.0
135.10117	1.4
147.10147	4.0
152.15567	2.1
155.17897	6.0
161.11720	6.2
177.11195	5.4
178.07120	4.5
179.12738	3.4
183.17410	2.8
189.52321	1.2
207.12218	1.3
208.15355	3.9
212.21405	1.4
213.22084	11.5
221.13722	1.4
222.09692	5.9
222.16959	4.4
223.15433	1.8
241.15201	1.4
252.18108	4.0
266.12320	2.3
266.19510	5.9
268.17520	3.6
270.25406	1.4
271.26282	4.8
282.19080	2.2
285.17529	3.6
296.20694	4.6
310.14603	1.5
310.22195	7.7
312.20090	2.6
324.23877	2.6
326.21725	2.1
339.28928	1.5
340.23245	5.0
340.29233	3.3
354.24826	5.7
370.24390	3.0
376.34244	2.1
384.25726	1.8
392.33533	1.8
400.25232	1.3
420.36795	6.1
460.23550	3.5
464.39310	6.4
480.38632	1.4
508.42050	8.4
516.60358	1.5
550.41461	2.7
552.43726	1.9
596.47278	23.4
612.46558	2.0
640.50287	1.9
656.49133	4.4
747.52295	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	748.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11410	0.3
53.03937	1.0
54.87706	0.3
55.01864	2.3
55.05504	0.4
57.03423	0.4
58.17344	0.3
63.02376	0.3
65.03925	4.8
66.04723	0.4
66.99741	0.2
67.05492	1.9
68.99763	0.3
69.03416	1.8
70.06579	0.6
70.59234	0.3
71.04967	0.8
71.10073	0.5
71.10433	0.6
75.04459	2.1
77.03932	0.7
78.04672	1.7
79.05036	0.5
79.05472	5.2
81.03401	1.4
81.07035	1.3
82.00558	0.3
82.04176	1.2
83.04990	0.4
84.04500	0.3
84.08090	0.3
85.02884	3.5
85.06511	0.3
86.09721	0.3
89.03880	0.6
89.05994	0.7
91.05463	7.5
92.02589	0.3
93.03384	6.8
93.07014	2.7
94.04157	0.4
95.04948	4.0
95.08598	0.9
97.02866	0.6
97.06524	2.5
102.04659	0.7
103.03920	0.8
103.05442	19.7
105.03360	1.6
105.04498	0.6
105.07009	7.3
105.07670	0.6
106.03439	0.7
106.04154	11.8
107.04937	10.2
107.08572	0.4
108.02077	0.6
109.02833	0.3
109.06493	1.7
110.03639	1.9
111.04423	1.6
115.05425	5.4
116.06200	0.4
117.03370	0.6
117.06992	3.9
118.04135	4.7
119.04928	2.2
119.08549	0.7
120.02105	0.3
120.05788	0.6
121.06478	15.0
122.03607	0.6
123.04403	4.0
123.08012	0.5
124.05167	2.2
125.05963	7.5
125.07378	0.3
127.03875	0.4
127.05347	0.3
127.07549	0.3
128.06200	0.7
129.06973	1.3
129.83429	0.3
130.04092	1.1
131.04898	22.2
131.08511	0.8
132.05728	2.0
133.02846	1.4
133.06456	8.8
134.01825	0.3
134.03580	2.3
135.04393	1.9
135.08018	2.0
135.11678	0.3
136.05057	0.4
137.02267	0.5
137.05946	4.7
138.03113	1.1
138.06732	0.7
139.03883	0.4
139.07552	2.0
141.06949	0.9
142.02599	1.1
143.04892	1.2
144.05690	1.7
145.02827	0.6
145.06450	6.4
146.03596	1.0
146.07193	0.6
147.04393	1.5
147.07997	2.5
148.05157	11.1
149.05949	23.8
151.02097	0.7
151.03883	2.8
151.07503	2.7
152.04633	1.5
153.05446	4.0
153.09065	7.0
155.05994	0.8
155.07080	0.5
155.14250	0.5
157.06442	1.3
159.04379	1.0
159.08051	1.5
160.05185	1.2
161.05951	9.4
162.01335	1.7
162.07652	2.1
163.02162	0.7
163.03836	2.3
163.07501	21.5
164.04660	0.3
164.07985	0.7
165.05415	1.7
165.06654	0.3
165.09085	0.6
166.02655	0.3
166.06161	1.0
167.07002	57.2
168.07324	1.3
169.06406	0.5
171.06512	3.2
172.05194	0.6
173.05943	5.6
174.06702	0.7
175.03915	0.4
175.07513	3.6
176.04659	2.7
177.05432	19.3
177.09038	0.9
178.06015	1.0
179.01570	0.9
179.07079	1.6
179.08438	0.6
181.04916	71.8
181.08493	15.2
182.05252	1.8
182.08887	0.4
183.06509	0.6
185.05957	0.5
186.06721	0.6
187.07503	3.1
189.05403	1.0
189.06964	0.4
189.09012	0.7
190.00826	1.5
190.06239	1.6
190.07701	0.4
191.06985	97.8
192.07574	3.4
192.09279	0.5
193.04901	1.2
193.08575	3.9
194.07301	0.4
195.06480	5.4
195.08104	0.3
197.08086	0.5
199.07437	0.4
201.05499	1.7
202.06094	0.7
203.06964	3.1
205.06702	0.4
205.08557	3.6
207.06462	1.9
207.08412	0.7
207.10455	1.5
208.01907	1.4
208.08784	0.5
209.08038	100.0
210.06572	0.5
210.08333	2.3
213.05647	0.4
217.08554	2.0
218.09256	0.3
218.21039	0.7
219.06296	0.4
219.08043	1.0
219.10062	5.5
220.07179	0.5
221.07959	0.8
223.04193	18.8
224.04623	0.5
224.07954	0.3
225.07463	2.1
229.08528	0.7
231.06386	1.1
232.07262	0.4
233.05933	0.5
233.08023	6.7
234.06592	0.3
234.08751	0.4
235.07370	1.8
235.09572	5.9
235.11650	0.5
236.08064	0.6
237.09138	0.7
241.08496	0.3
245.07996	2.0
247.07437	0.7
249.08998	0.5
249.11269	0.5
251.09108	0.8
252.07751	1.0
253.08365	0.7
253.12711	0.4
255.09933	0.7
257.08105	0.4
261.11313	0.3
263.09109	29.1
264.09521	0.7
265.08487	1.0
267.10062	3.4
269.07922	0.7
271.09619	0.4
277.08328	0.3
279.06439	0.3
279.10059	1.0
281.07724	0.4
282.08661	0.4
283.09808	0.6
289.10663	0.4
292.07269	0.6
293.08078	0.7
294.08649	0.5
294.11826	0.7
295.09500	1.1
296.10193	0.6
297.08041	0.3
297.11096	1.7
298.11850	0.3
299.09070	0.6
300.09045	0.5
306.08801	0.6
307.09521	1.3
309.07697	0.3
309.11105	0.6
312.08939	2.9
313.10471	0.4
322.08170	0.4
323.08908	1.1
324.09576	0.3
325.10541	3.8
327.12268	0.8
329.10025	0.4
329.13565	0.7
330.10110	1.0
331.11646	0.9
335.08838	0.5
337.10406	0.9
339.12048	1.2
353.10001	0.8
355.11499	0.8
357.13254	7.3
359.14740	1.3
366.11115	0.4
367.11722	2.5
368.12445	0.4
369.13309	1.6
371.14566	1.2
381.13068	0.9
385.12714	12.9
385.17603	0.7
386.13095	0.6
387.14285	1.9
389.15628	0.4
399.14191	3.6
417.15341	21.1
418.15421	1.0
465.30298	0.6
557.13312	0.3
577.20245	0.6
609.22986	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.5605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	0.6
55.05504	1.9
57.03430	0.4
57.07064	100.0
58.07406	0.5
58.62951	0.4
59.04990	23.0
67.05495	1.1
69.07055	1.4
71.05181	0.8
71.08617	69.3
72.08965	0.5
73.02914	0.7
73.06536	1.7
81.07029	0.5
83.08603	1.0
83.67847	0.4
85.10166	59.3
86.09695	1.1
87.04456	11.1
89.06014	62.6
90.01864	0.6
92.05804	0.4
93.07014	0.7
95.08578	0.7
97.10136	2.4
98.93271	0.4
99.11710	12.9
101.05984	0.5
101.09618	1.2
101.81520	0.5
103.07566	0.8
107.07036	1.4
109.10217	0.4
110.31413	0.4
111.11674	0.9
113.05983	0.5
113.13251	5.4
116.82650	0.4
117.09113	6.1
123.11570	0.4
124.99957	0.8
129.09088	0.5
130.08588	2.3
131.07019	4.4
133.08577	53.1
134.08919	0.5
147.10188	0.6
155.17921	9.2
157.08498	0.5
161.11679	0.6
169.08255	0.4
175.09662	3.2
177.11185	23.8
184.07274	2.5
191.12718	0.8
201.44815	0.4
213.22087	19.6
214.22369	0.6
219.12215	1.7
221.13779	4.7
223.15329	0.7
235.15353	0.7
239.14711	1.4
254.24612	1.3
265.16333	1.2
271.26279	8.3
283.17520	2.4
309.18839	1.3
327.19901	1.3
353.21457	0.8
371.22485	1.3
415.25006	1.3
441.26382	1.3
444.05038	0.4
459.27908	13.2
499.31027	2.6
517.31549	1.3
557.34741	0.7
594.44666	0.5
599.57678	0.4
729.52863	0.8
746.56097	7.6
747.42603	0.5
758.69476	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.8
57.03434	2.5
57.07069	12.4
58.07384	1.1
59.04988	9.2
61.02920	4.9
67.05496	4.8
69.03426	3.5
69.07064	2.7
71.04980	1.0
71.08625	10.8
72.08965	1.4
73.02906	3.5
73.06565	0.7
79.05486	2.3
81.03410	1.8
81.07059	7.4
83.08598	1.5
84.08135	2.7
85.02897	5.1
85.06522	0.8
85.10172	9.4
86.10512	1.2
86.27922	0.6
87.04460	2.3
89.06020	10.5
90.06364	0.8
91.03947	2.9
91.05470	2.4
93.07036	2.4
95.04940	0.7
95.08586	3.3
97.02874	4.0
97.10155	1.5
98.20711	1.1
99.04452	0.9
101.02382	1.5
101.06043	0.5
101.09650	1.6
105.07005	2.6
107.08588	2.3
109.02870	0.8
109.06523	0.8
109.10153	1.7
117.09148	1.8
117.94969	0.5
119.08591	2.8
121.10130	2.7
123.11694	2.0
127.03926	1.9
130.08624	5.5
131.08615	1.0
133.08575	7.8
133.84499	0.5
134.08936	0.8
135.11661	1.3
147.11673	3.8
159.13805	1.2
165.12766	1.7
175.13409	0.7
177.11270	1.9
178.11537	0.6
184.07295	0.8
184.30196	0.6
185.04199	1.2
199.20575	0.8
203.05251	0.6
213.18469	1.5
221.14032	0.6
243.08421	2.3
243.23183	0.9
251.12518	1.5
257.24896	1.0
258.25400	0.7
307.15158	0.8
335.25674	0.6
415.25494	0.6
425.21222	0.8
469.20380	10.6
470.20486	0.7
501.72113	0.7
519.29230	4.3
522.65338	0.6
703.42676	0.6
726.12512	0.7
747.42810	100.0
748.42957	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	746.5606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.3
57.03426	1.8
57.07066	100.0
58.07402	1.0
59.04992	43.2
65.89951	0.5
67.05501	0.7
68.86181	0.5
69.07053	3.1
69.25690	4.7
71.08620	94.4
72.08941	0.8
73.02919	0.9
73.06521	1.0
75.07648	0.5
81.07022	0.8
83.08603	3.2
85.10167	91.6
86.10503	1.4
87.04454	9.7
87.08084	0.8
89.06015	52.2
91.07581	0.5
95.08595	1.1
97.10144	2.1
98.21118	2.5
99.08086	0.8
99.11714	12.1
101.05977	0.7
101.09648	4.3
103.07571	1.3
107.07005	1.1
111.11691	1.0
117.09116	15.5
123.34947	0.5
129.09135	0.5
130.08597	2.1
130.40640	0.5
131.07027	3.6
132.09000	0.5
133.08583	40.1
134.08908	0.7
135.10103	1.0
141.15367	0.7
141.16367	11.0
142.16687	0.5
147.10118	0.7
158.11766	0.6
175.09618	3.0
177.11195	21.3
178.11464	0.7
184.07349	0.8
191.12695	0.8
199.20537	26.5
200.20805	1.5
202.80409	0.6
219.12222	1.4
221.13814	4.6
235.15182	0.7
239.14792	0.9
240.23102	1.7
257.24704	35.8
258.25156	1.1
265.16318	1.0
283.17395	1.9
309.18854	1.0
315.28778	1.2
327.19943	2.1
331.73184	0.6
353.21704	0.6
371.22247	1.4
397.24081	1.2
415.25305	13.2
455.28024	2.1
455.33945	0.5
473.28986	1.9
513.32349	1.3
729.52094	0.8
746.56177	8.4
747.42346	0.7
747.55383	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	745.4115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.7
54.88935	0.4
55.01855	0.7
55.05504	2.2
57.03437	2.9
57.07058	2.0
59.04990	0.6
61.02913	6.2
65.03941	0.5
67.05492	7.3
68.05816	0.5
69.03412	3.5
69.07050	1.7
71.04965	0.7
71.08617	1.6
71.54977	0.6
73.02900	4.2
79.05479	4.6
79.54932	0.5
81.03402	1.6
81.07045	7.5
82.07359	0.7
83.08604	1.5
83.91837	0.4
85.02895	5.2
85.10167	1.2
86.09689	0.9
87.04445	1.1
88.31385	0.4
89.06026	1.3
91.03940	3.3
91.05437	2.9
93.07026	6.0
94.07317	0.6
95.08590	6.0
95.09167	0.7
97.02875	5.2
99.04446	1.3
101.02371	2.0
103.03939	1.2
105.06988	2.1
107.08587	3.2
109.02835	0.9
109.10150	2.2
109.89735	0.5
117.06978	0.7
119.08605	1.2
121.10114	2.3
124.18504	0.5
127.03889	1.5
130.08607	0.8
131.08560	1.0
133.08615	0.8
133.10112	1.4
134.15559	0.5
135.11649	2.8
136.12000	0.5
137.08630	0.5
145.10085	1.1
147.11656	0.7
149.13246	0.9
153.55901	0.4
159.11708	0.5
163.11113	2.3
169.58163	0.4
177.12607	0.6
184.07288	2.6
185.04242	0.8
227.12805	1.6
243.08348	2.6
249.10909	13.5
250.11377	0.5
305.13574	1.0
335.26010	1.8
336.26089	0.9
467.18710	5.2
504.37872	0.7
519.29211	8.8
520.29694	0.9
530.39099	0.7
546.38574	0.5
548.39844	1.1
729.73193	0.5
745.41162	100.0
746.41376	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	745.3711
Annotation	Isothalicrine
Peak:m/z	Relative Intensity
52.90142	0.3
56.05019	0.9
56.12425	0.3
57.03452	0.2
60.14853	0.2
65.66915	0.2
68.05031	0.3
70.06580	78.7
70.53024	1.0
71.06919	0.4
74.06071	3.9
76.52141	0.3
83.06097	0.7
84.04498	2.1
84.08128	14.4
85.02884	0.7
100.07606	0.3
101.07132	1.1
101.10738	0.6
102.05521	1.3
107.04911	0.4
112.07584	100.0
113.07211	0.3
113.07908	1.3
119.04929	0.4
119.08176	0.4
120.08069	0.6
129.10217	8.9
130.04997	0.3
130.07683	0.4
130.08620	6.4
136.06165	0.3
139.08675	0.7
140.07039	76.2
141.07385	0.9
145.02831	0.4
147.04349	1.5
147.11264	5.3
150.05501	0.5
155.11755	0.3
157.09698	20.7
158.08119	0.6
158.10117	0.4
163.03848	0.7
167.08206	0.8
167.11763	0.6
168.06520	1.0
177.05467	0.7
177.10266	0.3
184.10783	0.5
185.09174	1.1
187.10808	0.4
194.09174	0.4
195.07701	0.5
195.11389	0.3
203.10179	2.3
204.13506	0.3
212.10246	0.5
212.13951	0.8
213.08711	1.0
213.12395	0.7
223.10675	0.3
226.11809	0.4
230.14975	1.5
231.09721	2.3
231.13379	0.3
240.13385	4.3
248.16026	5.1
250.11839	0.5
251.10214	0.5
261.06049	0.3
268.12891	10.1
306.14273	0.3
323.17099	0.8
324.15341	0.4
325.14941	1.3
332.14438	0.5
334.13968	0.9
341.18213	1.0
351.16583	8.0
352.15097	0.3
359.19199	2.0
369.17569	2.8
377.20227	1.3
478.24890	2.1
480.20828	4.2
498.21814	1.6
581.25378	0.3
599.26672	1.5
701.36060	0.3
727.36322	1.5
745.37097	80.2
746.37354	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	744.5815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	2.7
57.03423	1.5
57.07066	100.0
58.07381	1.1
59.04991	43.6
67.05489	1.8
67.83955	0.9
69.07048	3.1
71.08620	79.5
71.26349	1.9
75.64115	0.9
81.07037	2.8
83.08592	3.6
84.08125	2.7
85.10169	61.8
87.04435	3.1
89.05476	1.4
89.06013	19.5
95.08592	2.5
97.10144	4.3
98.20895	1.0
99.11718	12.3
101.06041	1.0
101.09631	3.8
105.07008	1.5
107.07031	1.1
107.08588	1.0
107.20678	0.8
111.11610	1.4
113.13257	6.1
115.07559	1.8
116.07053	1.0
117.09104	14.7
130.08606	8.5
133.08575	11.3
135.11743	1.0
147.10118	1.2
147.11621	0.8
151.07457	1.8
153.16280	0.9
155.17914	11.0
159.13803	1.3
175.09622	1.2
175.13263	1.9
177.11186	8.1
191.10625	2.0
200.64809	0.9
209.51875	0.9
213.22072	24.3
245.50865	0.9
254.24731	4.2
271.26276	31.3
272.26559	1.1
283.17410	8.0
329.30386	2.6
341.21732	4.1
359.12561	0.9
399.25812	2.0
492.33112	1.2
744.58258	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	743.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.9
55.05494	1.6
57.03424	1.9
57.07066	4.4
57.55663	0.5
59.04998	1.2
60.22195	0.5
61.02919	4.7
67.05494	5.6
69.03423	3.0
69.07059	1.9
71.04990	0.6
71.08624	2.5
71.52741	0.5
71.53250	0.6
73.02917	4.5
79.05482	3.7
79.27035	0.5
81.03407	1.7
81.07043	5.4
83.08602	0.7
85.02886	4.2
85.10170	2.0
87.04477	1.1
89.06014	1.9
91.03948	3.0
91.05475	2.6
92.00594	0.5
93.07028	4.4
95.04948	0.6
95.08601	4.4
97.02872	4.8
99.04469	1.5
101.02377	1.9
105.07028	2.0
107.08598	1.6
109.02908	0.7
109.10127	1.4
111.09584	0.5
115.03960	0.6
119.08602	1.8
121.10140	1.7
127.03953	2.0
129.06963	0.7
131.08611	0.8
133.08606	1.4
133.10144	1.0
135.11717	1.3
145.10094	0.9
147.11685	1.2
161.13194	0.8
171.11665	0.6
185.04230	0.8
243.08435	2.1
247.13101	1.3
465.20901	5.3
519.29193	7.1
743.43274	100.0
744.43665	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	742.472
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89798	0.7
53.03937	1.6
54.47808	0.9
55.01844	1.6
55.05299	0.7
55.05499	7.8
55.49425	0.8
57.03427	5.5
57.07050	1.4
65.03910	1.6
67.05492	27.1
69.03406	2.9
69.06720	0.8
69.07056	9.4
71.04967	2.0
71.08627	1.2
71.55167	1.0
79.05472	18.6
81.03402	16.1
81.07040	40.1
83.04961	6.3
83.08610	10.2
85.02879	8.0
85.06502	1.5
91.05460	18.0
91.16953	0.8
93.07021	20.6
95.04958	7.8
95.08586	16.6
97.02817	1.9
97.06513	4.6
97.10149	2.4
99.08098	2.5
105.07003	18.3
107.04910	1.2
107.08566	13.2
109.06490	3.4
109.10130	6.7
111.04423	1.7
111.08054	2.4
113.05963	0.9
117.07013	2.7
119.08568	14.4
121.10111	16.1
123.08028	2.3
123.11686	11.7
127.07520	1.1
129.06985	3.3
131.08553	8.1
133.10039	5.9
135.11656	3.6
143.08598	1.8
145.10091	3.4
147.08015	1.2
147.11658	32.7
149.09552	1.5
149.13206	2.3
157.10107	4.5
159.11659	1.3
161.13281	1.4
163.11229	1.3
163.14806	1.3
165.12720	14.0
173.13229	1.2
175.11154	4.4
183.13820	1.9
193.12204	12.5
211.13257	16.2
217.68179	1.0
229.14218	4.7
243.21065	1.1
261.22061	3.2
267.15866	28.1
268.16089	0.9
285.16904	100.0
286.17200	2.8
335.25726	19.2
355.17563	1.0
369.23880	1.4
405.25864	1.1
440.01114	1.0
527.37231	4.0
545.38239	39.4
546.38544	1.6
762.92670	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4718
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	0.5
53.03938	1.3
55.01861	1.6
55.05499	11.8
57.03145	0.7
57.03426	12.2
57.07056	2.1
59.04991	0.8
61.02911	1.7
65.03923	1.8
67.05491	48.5
69.03417	2.6
69.07053	16.6
69.63018	3.0
70.43141	0.4
71.04984	3.6
71.08624	0.7
72.38062	0.4
73.02906	0.9
73.06542	0.7
74.06058	0.7
74.09740	0.6
77.03908	0.8
77.24561	0.4
79.05479	28.8
81.03403	3.3
81.07038	79.1
82.07376	0.5
83.04959	5.5
83.08601	9.1
85.02893	3.5
85.06529	4.7
85.10146	0.7
87.04447	0.6
89.06009	0.5
91.03938	1.2
91.05460	24.6
93.07024	32.9
94.07342	0.6
95.04958	4.8
95.08587	35.6
96.08885	0.5
97.02865	2.0
97.06516	6.3
97.10133	2.3
98.21418	0.4
99.04445	1.1
99.08075	3.5
101.06007	1.5
105.04517	0.5
105.07006	29.9
107.04958	0.6
107.08569	21.8
109.02885	1.2
109.06487	4.8
109.10128	11.9
111.08070	1.2
113.05954	1.3
115.07586	0.4
117.06982	2.9
119.08553	24.1
121.06517	0.6
121.10115	27.0
123.08042	4.0
123.11679	25.5
124.11977	0.5
125.09608	0.6
127.03893	2.1
127.07549	2.7
129.06963	1.7
130.08609	1.3
131.08533	5.7
133.10103	7.9
135.11659	8.0
137.09622	1.1
137.13210	2.6
141.09056	0.9
145.10094	3.8
147.11656	52.9
148.12027	0.9
149.09590	1.1
149.13228	4.5
151.11176	0.5
157.10132	2.8
159.11649	3.8
161.13234	2.9
163.14758	2.1
165.12727	21.8
171.11644	0.6
173.13185	3.6
175.11101	2.1
175.14796	0.9
177.16425	0.7
183.13771	2.9
187.14796	1.1
191.14340	0.7
193.12180	2.5
211.13188	0.7
229.14297	7.8
233.22516	0.7
243.21053	4.2
261.19379	1.0
261.22073	14.3
267.15854	61.8
268.16324	1.0
279.23099	2.0
285.16898	75.0
286.17313	1.4
317.24655	3.3
335.25717	100.0
336.26123	3.3
337.16354	1.8
353.26682	1.5
355.17538	3.5
373.18338	1.3
390.80225	0.5
423.27390	0.7
426.91376	0.5
453.33667	0.9
471.34689	1.0
527.37146	4.5
528.37903	0.8
545.38263	52.1
546.38727	3.1
563.39215	1.8
626.94501	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.3
55.01857	1.7
55.05500	14.3
57.03153	0.8
57.03428	12.8
57.07064	2.3
58.39013	0.5
59.04986	0.5
61.02916	3.3
65.03925	1.6
67.05490	52.7
68.05807	0.6
69.03410	1.7
69.07053	22.0
71.04971	4.6
71.08630	1.1
73.02896	1.1
73.06538	0.7
74.06074	0.8
74.09715	0.6
77.03889	0.7
79.05476	32.9
81.03391	1.5
81.07038	100.0
82.07382	1.4
83.04962	6.4
83.08602	9.6
84.08134	0.6
85.02892	3.0
85.06528	5.5
87.04444	0.7
91.03940	1.0
91.05459	28.4
93.07023	33.9
94.07341	0.7
95.04951	4.8
95.08584	43.5
97.02872	1.7
97.06502	7.7
97.10165	2.5
98.06475	0.5
99.04473	0.6
99.08069	5.2
101.05991	1.0
105.03354	1.6
105.04478	0.6
105.07008	36.2
107.04932	0.7
107.08569	26.8
108.08944	0.8
109.06492	4.9
109.10130	13.6
111.08054	1.8
113.05973	1.4
113.09641	0.6
115.07608	0.7
117.06985	4.0
119.08554	30.6
121.10117	28.8
122.10360	0.5
123.08035	4.8
123.11679	28.6
124.12024	0.7
125.09582	0.7
127.07529	2.7
129.06964	2.0
130.08667	0.8
131.08524	7.5
133.10107	8.1
135.11658	8.1
137.09647	0.9
137.13231	3.6
141.09077	0.8
145.04889	0.5
145.10101	5.3
147.11653	63.2
148.12013	2.2
149.05927	2.3
149.09634	1.0
149.13217	5.2
151.14771	0.6
153.12680	0.7
157.10133	3.0
159.11691	3.8
161.13202	3.8
163.14806	2.4
165.12721	25.6
166.13043	0.6
173.13196	3.7
175.11169	2.4
175.14801	0.8
177.16322	1.1
183.13766	3.1
187.14799	1.7
189.01596	0.6
193.12212	2.5
201.16302	0.7
211.13261	0.5
229.14290	5.6
233.22571	1.2
243.21016	5.2
261.22089	21.7
262.22464	0.9
267.15854	71.2
268.16232	3.1
279.23117	3.3
285.16898	96.2
286.17218	3.1
317.24609	3.4
335.25729	88.5
336.26035	3.9
353.26758	3.2
368.74765	0.5
435.32260	0.6
453.33527	1.6
465.18011	0.5
471.34631	2.0
510.81781	0.5
517.38684	0.6
527.37189	8.0
545.38269	71.1
546.38501	6.1
563.39453	3.6
759.28137	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2217
Annotation	Kaempferol 3-rhamnosyl-(1->4)-rhamnosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
53.03933	0.2
55.01850	0.2
55.05503	0.7
57.03179	0.2
57.03427	2.0
61.02894	0.5
61.03168	0.1
61.16871	0.1
68.99780	0.2
69.03416	1.2
69.31174	0.3
69.31596	0.8
71.01314	0.2
71.04977	10.7
71.56072	0.1
72.05283	0.1
73.02902	1.0
75.04456	0.6
79.05477	0.1
81.03388	0.5
83.04957	2.5
85.02885	15.1
86.03214	0.1
87.04433	0.6
91.03935	0.1
95.04936	0.4
97.02874	1.1
99.04440	0.6
103.05485	0.1
107.04910	0.2
109.02843	0.6
111.00793	0.5
111.04425	2.0
113.05949	0.3
117.05468	0.4
121.02837	1.5
127.03857	0.9
128.75456	0.1
129.05450	3.8
133.02812	0.4
133.06552	0.1
137.02310	0.3
145.04944	0.9
145.05927	0.1
145.06468	0.1
147.04395	0.3
147.06490	1.6
153.01794	1.6
153.05392	0.6
157.06320	0.2
159.06372	0.1
163.05974	0.5
165.01820	0.9
171.04359	0.2
171.06447	0.2
183.02881	0.5
185.05923	0.3
201.07558	0.3
213.05417	0.7
213.07265	0.1
231.06476	0.4
239.09103	0.9
241.04918	0.5
257.10089	0.3
258.05292	0.7
259.05963	0.2
275.11203	0.4
287.05429	100.0
288.05774	3.3
288.08789	0.3
311.05481	0.2
325.06845	0.2
329.06445	0.6
353.06616	0.2
397.09052	0.3
433.11133	0.7
449.10666	2.5
471.15091	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	742.472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.7
53.06446	0.9
55.01862	3.6
55.05506	17.6
57.03431	11.5
57.06814	1.1
57.07062	4.1
59.97240	0.9
61.02912	2.2
65.03921	2.7
66.56791	0.9
67.05496	54.2
69.03414	13.2
69.07061	17.7
69.22784	6.3
69.23212	4.9
71.04988	6.5
71.08598	2.5
73.02892	2.5
79.05476	35.0
81.03405	50.2
81.07043	79.1
83.04974	12.2
83.08605	22.0
85.02888	18.5
85.06509	3.9
85.10139	1.3
91.05463	33.2
93.07027	41.1
94.07326	1.1
95.04949	18.1
95.08591	39.5
96.08909	1.5
97.02888	8.4
97.06503	5.6
97.10144	4.7
98.20765	1.8
98.21422	2.9
99.04444	3.1
99.08076	4.8
103.05450	1.8
105.07014	36.9
107.04943	3.6
107.08578	22.7
109.02866	9.3
109.06477	5.6
109.10152	14.5
111.04437	2.0
111.08058	7.4
113.05984	3.7
117.07004	4.3
119.08561	31.0
121.06433	1.3
121.10120	29.4
123.08044	4.7
123.11682	20.5
125.09588	1.4
127.03888	17.5
127.07548	2.6
129.06985	4.5
130.08592	1.6
131.08542	11.8
133.06479	2.6
133.08702	1.2
133.09151	1.2
133.10094	9.4
135.11661	12.2
137.05971	2.3
137.09584	2.0
137.13231	3.0
143.08534	1.4
145.04922	2.3
145.10077	7.7
147.08008	2.3
147.11664	62.1
148.11992	2.6
149.09578	4.0
149.13220	3.9
151.11218	1.3
157.10095	9.2
159.11696	4.0
161.13245	3.1
163.11171	2.6
163.14812	2.4
164.11491	1.5
165.12726	24.7
173.13242	4.6
175.11165	10.2
175.14830	1.2
183.13812	6.4
187.14871	1.8
193.12212	33.4
211.13252	35.0
211.15271	1.9
223.57195	1.4
227.12692	3.3
229.14314	32.8
243.21008	6.0
253.14444	1.5
261.22052	15.2
267.15863	12.0
283.15479	2.0
284.15723	1.5
285.16931	53.8
286.17270	1.8
301.14163	1.2
319.15207	2.6
335.25745	61.8
336.26224	3.4
337.16422	16.3
337.25513	1.2
338.16547	1.1
343.40451	1.1
353.26718	2.4
355.17438	39.4
373.18521	18.4
519.98047	1.3
527.37256	8.8
545.38293	100.0
546.38391	6.1
602.59766	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	740.4615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.6
56.05024	0.4
57.03426	0.6
58.89830	0.3
59.04992	0.9
60.04498	0.5
65.03896	0.4
67.05479	0.8
69.03422	1.6
69.07058	0.8
70.06580	4.2
70.68738	0.3
71.04974	2.0
72.08139	1.6
73.02912	2.5
73.06538	2.8
79.05471	1.2
80.05016	0.4
81.03392	1.3
81.07037	1.6
82.06567	0.6
83.04962	1.1
83.08604	0.5
84.04477	0.4
84.08124	4.6
85.02878	2.4
85.06518	0.5
86.06057	0.5
86.09695	2.3
87.04451	18.0
88.03954	0.4
89.06013	100.0
90.06345	0.8
91.05464	1.7
91.07582	0.7
93.07033	1.8
94.06524	0.3
94.62897	0.4
95.04948	1.2
95.08585	1.3
96.04446	0.5
97.02884	0.7
97.06506	0.7
98.20753	0.6
99.04427	0.6
100.07598	0.5
103.05451	0.6
105.07031	1.9
107.04955	0.6
107.07052	4.1
107.08569	1.1
109.02864	0.7
109.06490	0.8
109.10128	0.7
110.07136	1.1
111.04435	0.6
113.06006	0.9
115.07566	0.4
116.07090	1.1
117.09101	2.2
119.04929	0.7
119.08539	1.1
120.08070	1.3
121.06487	0.8
121.10120	0.7
123.04413	0.4
123.08052	0.7
123.11691	0.3
124.07580	0.5
125.05920	0.5
126.05515	0.6
127.03893	1.0
129.05482	0.6
129.06563	0.3
129.10181	0.9
130.08615	8.2
131.04930	0.5
131.07016	5.7
133.08575	68.3
134.08887	0.8
135.10184	0.5
136.07564	0.8
137.02365	0.5
137.05956	1.5
137.09579	0.4
140.07054	0.5
143.08580	0.6
145.02817	0.5
145.10069	1.1
146.06009	0.5
146.08078	0.7
147.04375	1.2
148.07590	0.5
150.05467	0.4
151.03853	0.6
151.07521	0.7
151.09564	0.4
157.08553	0.5
159.08054	0.4
159.11635	0.5
161.05911	0.7
161.09601	0.9
161.11726	1.0
162.05408	0.5
162.09198	0.3
163.07471	0.5
163.11154	0.6
164.07007	0.5
165.05528	0.3
165.07170	0.4
167.07037	2.2
170.00365	0.3
173.09500	0.5
175.09637	4.8
177.05383	1.0
177.11194	27.3
178.05016	0.6
178.11526	0.8
179.06856	0.5
179.12807	0.4
180.08791	0.4
195.12202	0.4
204.06590	0.4
205.09908	0.5
206.04404	1.1
207.06441	0.6
208.16730	0.4
219.12210	2.4
221.13806	4.8
223.15254	0.8
227.11743	0.4
237.13174	0.4
239.14874	1.0
265.16324	1.3
267.17838	0.6
283.17407	2.5
285.11996	0.4
303.04886	1.4
309.18915	0.9
311.13519	0.5
311.20364	0.5
327.20074	1.1
353.21494	0.9
371.22653	0.5
397.23804	0.6
415.24869	0.5
441.26584	1.0
449.10120	0.5
552.19360	0.4
675.93182	0.5
679.40442	0.7
723.43756	4.5
740.31305	0.5
740.45184	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	740.4563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	1.0
55.01830	1.9
55.05501	10.4
57.03428	8.4
57.07064	2.4
61.02910	1.1
65.03884	1.8
67.05492	34.4
67.05828	1.2
69.03366	1.6
69.07055	9.9
70.58926	1.6
71.04976	2.9
71.08583	1.0
73.02879	1.0
79.05476	29.3
81.03360	1.4
81.07039	37.8
82.07367	0.6
83.04971	2.9
83.08156	0.6
83.08598	8.6
83.37157	0.4
84.08130	0.7
85.02875	1.2
85.06486	1.0
85.10147	0.6
91.05466	13.0
93.07025	40.7
94.07344	0.8
95.04949	6.0
95.08587	42.3
97.02866	3.5
97.06517	2.9
97.10108	1.9
99.04423	3.4
103.05392	0.7
105.04449	0.7
105.06426	0.7
105.07014	9.4
107.04933	5.3
107.08571	27.0
109.06453	1.6
109.10130	10.2
111.04393	0.9
111.08033	1.3
113.05939	0.6
113.09577	1.0
117.06252	0.4
117.06996	6.4
118.07314	0.6
119.08556	10.6
120.87453	0.5
121.06490	3.4
121.10121	17.1
123.08035	0.7
123.11686	2.7
125.05917	2.0
125.09611	0.7
127.03913	0.6
130.07716	1.2
130.08595	1.3
131.08536	4.2
131.40451	0.6
133.10109	6.0
135.07983	1.3
135.11662	36.0
136.11984	0.8
137.09503	0.6
137.13196	0.8
139.07484	1.4
143.08458	0.5
145.10094	20.1
147.11693	2.6
149.13210	3.5
153.12683	1.0
159.11617	1.8
161.13205	1.4
163.11150	42.7
163.14795	1.3
164.11432	1.1
173.13176	1.7
175.14809	0.5
181.12206	7.6
184.07344	0.9
187.14781	0.6
201.16328	0.5
209.11729	1.2
209.16319	0.5
227.12732	46.8
228.13121	1.3
243.20905	2.4
261.22104	6.8
262.22437	0.5
283.15338	48.5
284.15710	1.9
306.27832	0.5
317.24768	1.2
335.25735	100.0
336.26047	5.1
401.28873	0.5
409.07254	0.5
543.36713	76.9
544.37183	8.1
604.22302	0.5
626.76746	0.5
733.59003	0.6
734.91467	0.5
740.43115	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	2.0
55.01838	2.4
55.05500	11.0
57.03429	7.8
57.07034	1.5
61.02894	1.6
65.03899	1.7
67.05494	31.9
67.10526	0.5
68.05769	0.5
69.03396	1.2
69.07055	10.4
69.30936	3.7
69.31339	1.2
71.04948	2.5
71.08630	1.0
73.02873	1.6
77.03886	0.6
79.05482	30.8
81.03369	1.7
81.07043	35.4
82.07349	0.9
83.04961	2.7
83.08154	0.6
83.08604	9.2
84.08097	0.7
85.02872	1.3
85.06515	0.9
85.10128	0.7
85.69149	0.6
91.05470	11.7
93.07028	43.1
94.07333	1.0
95.04952	7.1
95.08589	49.3
96.08865	0.8
97.02870	3.3
97.06519	4.1
97.10109	1.6
98.20725	1.0
99.04441	3.4
103.05396	0.8
105.07011	9.3
107.04941	6.8
107.08575	29.8
109.06454	2.0
109.09470	0.8
109.10136	10.7
111.04385	1.2
111.08031	1.1
113.05898	0.9
117.06261	0.6
117.06995	8.5
119.07705	0.6
119.08564	12.7
121.06474	4.3
121.10122	18.5
123.08058	0.6
123.11653	1.7
125.05963	2.9
125.09515	0.7
127.03899	0.6
129.06949	1.2
130.07742	1.4
130.08618	1.3
131.08524	2.8
132.89742	0.5
133.10101	6.0
135.07983	1.5
135.11671	44.2
136.11992	1.3
139.07487	1.7
145.10100	25.4
146.10399	0.8
147.11623	2.4
149.13242	3.3
153.12698	0.9
159.11615	2.1
161.13168	1.7
163.11153	54.5
163.14792	1.5
164.11519	1.8
173.09561	1.0
173.13229	1.7
181.12202	9.1
184.07359	0.8
187.14767	0.9
207.11246	0.6
209.11763	0.9
227.12740	66.3
228.13080	1.3
243.20990	2.5
261.22137	8.3
283.15350	100.0
284.15683	2.4
306.27695	0.7
317.24661	1.8
335.25742	88.0
336.26056	3.2
441.59555	0.5
542.47443	0.6
543.36725	91.9
544.36914	6.0
561.37341	0.9
599.49738	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.7
55.01861	1.1
55.05500	10.9
56.78405	0.6
57.03433	5.7
57.07051	1.8
59.04977	0.7
59.09287	0.5
65.03922	2.1
67.05494	37.7
69.03420	0.9
69.07056	8.4
71.04942	2.3
71.08624	0.8
73.06562	0.9
77.03909	0.7
77.31490	0.5
79.05481	40.4
81.03414	3.0
81.07042	37.0
81.07436	0.4
82.07394	0.7
83.04964	5.9
83.08602	4.5
84.08132	0.6
85.02837	0.6
85.06522	1.6
91.05464	26.1
92.05810	0.7
93.07027	44.6
94.07359	0.6
95.04955	9.6
95.08591	26.7
97.02867	1.4
97.03971	0.5
97.06519	3.0
97.10153	2.2
99.08057	1.1
102.09164	1.6
103.05437	0.7
105.04482	1.0
105.07012	18.7
106.07344	0.5
107.04922	2.5
107.08578	14.8
107.68212	0.5
108.08903	0.5
109.06501	3.3
109.10137	8.9
111.08080	0.8
115.05334	0.6
117.07003	5.0
119.08561	14.6
121.06470	1.1
121.10124	9.9
123.08096	2.6
123.11674	1.7
127.07539	0.8
128.06189	1.2
129.06966	5.9
131.08534	5.4
133.10106	6.9
135.11678	5.1
137.13205	0.6
143.08565	3.9
145.10107	5.5
147.07944	1.1
147.11659	16.3
147.12775	1.1
148.12015	0.6
149.13219	2.7
157.10094	0.6
159.11679	2.4
161.09604	1.5
161.13242	5.7
163.11147	0.6
163.14754	0.9
169.10110	0.7
171.11636	8.8
173.13272	1.8
175.14812	1.2
176.15157	0.8
178.40591	0.5
185.13185	0.5
187.14851	0.8
189.12720	2.8
207.13745	8.3
225.14896	0.6
243.21031	1.0
261.22125	3.1
279.15845	1.2
281.17435	30.0
317.24805	1.4
334.26837	0.6
335.25739	39.4
336.26114	2.0
449.33978	0.9
467.35474	1.1
482.48337	0.6
541.38794	100.0
542.39093	6.3
559.39893	1.5
688.36743	0.6
738.48773	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	734.4457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.4
55.05505	4.5
55.12472	0.2
57.07067	17.7
59.04977	0.3
59.71797	0.3
63.29377	0.2
65.03931	0.9
66.12571	0.2
67.05474	0.9
69.03426	0.4
69.07076	0.3
70.15203	0.2
71.08601	0.3
71.26794	0.3
71.27136	0.6
73.06545	0.6
74.09697	0.4
79.05452	0.5
81.03386	0.7
81.07040	1.0
84.08123	0.3
85.02907	0.4
89.37362	0.2
91.05470	0.9
93.07034	1.0
95.08582	1.0
97.02863	0.5
103.92422	0.2
105.06998	0.6
107.08551	0.5
109.10151	0.4
119.08550	0.6
121.02827	1.6
121.10141	0.4
129.06985	0.4
130.08678	0.4
131.08534	0.8
145.10097	0.3
149.02321	100.0
150.02655	2.0
155.08467	0.2
161.05957	1.0
167.03358	2.4
175.07515	4.3
190.04936	1.6
203.07018	6.2
204.90048	0.3
205.08563	9.0
221.08092	1.5
223.09595	0.6
265.68472	0.3
266.59995	0.3
269.90210	0.3
277.14307	39.7
278.14667	1.2
295.15375	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	732.5448
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04629	0.5
55.05505	2.1
57.07063	82.2
59.04987	14.7
66.75358	0.4
67.05488	0.6
69.03412	0.5
69.07056	1.6
71.08615	55.1
71.20060	0.8
73.02893	1.3
73.06551	4.3
81.06979	0.5
83.08611	1.4
85.06515	0.6
85.10164	43.5
86.10487	0.6
87.03909	0.9
87.04450	16.9
89.06012	100.0
90.06371	0.5
91.07571	1.1
97.10140	1.3
99.11710	6.8
103.03845	0.4
103.07561	6.9
107.07079	2.3
111.11667	0.6
112.11173	0.5
113.05978	0.5
113.13252	1.9
117.09105	5.9
130.08607	2.7
131.07013	6.7
131.10686	0.5
133.08574	83.2
134.08943	0.8
135.10085	0.7
141.16344	0.9
155.17911	5.0
157.08629	0.5
161.11716	1.3
175.09637	4.9
177.11185	36.2
178.11446	0.5
179.12753	0.6
193.10641	0.6
199.20499	0.5
213.22104	5.7
219.12344	2.3
221.13799	7.8
222.90924	0.5
232.61818	0.5
237.13300	0.6
239.14810	2.0
257.24701	6.1
263.14871	0.6
265.16446	2.4
283.17459	3.7
309.18802	1.5
321.15070	0.4
327.19925	1.8
353.21570	1.5
371.22977	0.9
397.24005	1.4
415.25119	1.5
441.26544	0.9
459.27972	2.1
485.29584	0.8
503.30499	13.2
540.64594	0.5
543.33795	2.2
574.03601	0.5
638.25861	0.5
647.36188	0.5
715.51611	2.4
732.54639	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	733.5044
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00286	1.5
55.05497	4.9
55.26333	1.1
56.06293	1.0
57.03418	3.9
57.07067	100.0
58.03958	1.0
58.04211	11.6
59.04991	36.1
60.04492	1.7
67.05486	2.9
69.03429	1.3
69.07051	4.7
71.04959	3.2
71.08621	67.7
72.05756	17.0
72.08939	1.2
73.02550	1.1
73.02904	10.8
73.06541	32.0
80.25351	1.1
81.07041	5.2
82.07805	3.3
83.08594	5.1
85.06519	1.4
85.10170	60.8
86.07314	1.3
86.09658	1.2
86.10480	1.0
87.04453	38.4
87.08080	2.2
88.05214	2.7
89.05478	1.8
89.06017	36.5
90.01902	58.7
93.07027	1.4
93.42828	0.9
95.08573	4.5
97.06519	0.9
97.10139	3.9
99.04417	1.2
99.11716	8.5
100.08843	1.0
101.05994	3.8
102.05524	2.0
102.06757	1.1
103.07561	23.5
107.07013	2.1
107.08584	1.1
109.10146	2.6
110.10925	1.2
111.08055	1.2
111.11714	1.4
111.49078	0.9
113.13236	1.7
114.09118	1.2
115.07557	2.5
116.08345	6.3
117.09110	26.2
119.07034	1.4
121.08586	1.4
123.11662	1.5
124.66277	0.9
129.09071	1.1
130.08611	2.1
131.07047	4.8
132.10147	1.2
133.08575	20.3
135.10129	2.0
140.17096	1.0
141.16367	1.8
147.10130	4.0
152.15547	2.6
155.17940	4.8
159.10237	1.2
161.11699	7.1
163.09654	2.4
163.80190	0.9
165.11217	1.8
175.09619	3.2
177.11205	10.3
178.07085	7.5
179.12683	2.9
180.12239	1.7
183.17383	6.3
184.07230	2.7
194.13759	2.5
199.20511	2.5
208.15434	6.9
209.13754	1.7
212.21214	2.1
213.22099	4.9
221.13826	2.8
222.09685	13.5
222.16937	7.4
223.15300	2.0
224.14946	1.8
227.20120	1.2
229.65082	1.5
231.89740	1.0
238.16383	1.9
239.14972	1.3
252.18024	5.7
252.83070	1.3
253.16225	1.2
257.24686	4.2
266.12308	4.1
266.19623	8.3
267.18350	1.4
268.17520	4.1
271.16190	3.0
282.19092	2.9
285.17664	4.8
296.20590	10.7
297.18716	1.2
298.18546	1.6
310.22162	14.0
312.20132	3.6
315.18808	1.5
326.21695	5.8
340.23276	6.3
354.24826	4.7
362.32495	2.9
368.26538	1.1
384.25717	2.9
398.27386	3.5
406.35141	9.9
414.26688	2.1
422.34616	2.0
425.33090	2.4
428.28452	1.7
450.37793	7.4
460.24149	1.4
466.37357	1.3
494.40442	14.1
501.35666	1.1
504.26309	4.4
510.39307	1.6
538.42963	3.8
554.42157	1.7
582.45599	25.6
583.45801	3.1
598.44745	4.1
626.47882	4.1
642.48004	5.6
733.51172	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	730.5658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	6.5
57.03418	4.3
57.07066	100.0
59.04990	55.9
59.19348	1.0
67.05508	7.0
69.07052	6.2
69.34171	10.5
71.08620	92.8
72.83582	1.0
76.95713	1.0
79.05491	2.2
81.07044	6.3
83.08627	6.1
84.08124	3.7
85.10169	85.8
86.10474	1.6
87.04442	6.4
89.06020	22.7
91.05466	2.6
93.07014	3.1
94.07322	1.2
95.04936	1.2
95.08607	7.8
96.08931	1.5
97.10146	4.8
98.21499	2.6
99.08060	2.0
99.11720	12.4
101.05991	1.3
101.09631	4.6
103.07555	2.2
105.07000	1.3
107.08583	2.3
109.10130	3.7
115.07524	1.9
117.09105	18.1
119.08540	1.0
119.83946	1.2
121.10134	1.3
125.09619	2.6
130.08606	6.9
133.08560	13.4
133.10091	1.9
135.11606	1.3
141.16353	14.4
158.11734	2.5
175.13223	1.2
177.11203	7.3
189.11211	2.2
192.29933	1.1
199.20543	27.3
200.20819	1.3
221.13675	1.6
227.12677	4.2
240.23244	5.6
257.24713	37.7
271.19016	3.7
272.19446	2.8
273.19653	1.3
283.17422	6.4
315.28760	4.0
335.25626	1.2
336.26151	1.9
337.26373	2.1
341.21683	5.5
399.26135	1.3
403.86740	1.2
415.23334	1.9
533.40735	4.2
580.81561	1.3
648.24908	1.3
699.29126	1.2
730.56781	7.1
731.33008	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	732.4361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.5
53.65926	0.7
55.01855	2.5
55.05501	49.2
57.03430	3.6
57.06784	1.4
57.07061	18.8
59.04711	0.9
59.04990	13.6
61.02912	2.0
67.05493	5.5
68.99774	0.7
69.03414	10.0
69.07056	50.5
70.06585	1.1
70.76791	0.6
71.01344	0.8
71.04972	5.2
71.08617	11.2
71.51641	0.7
71.52075	1.2
73.02903	3.0
79.05473	2.6
81.03405	10.5
81.07040	18.5
83.04967	2.5
83.08604	100.0
84.04472	1.7
84.08118	2.2
84.08961	1.1
85.02368	1.2
85.02888	24.0
85.06535	2.0
86.09678	1.4
87.00816	9.2
87.04453	3.1
88.03941	0.7
89.06013	53.2
91.03952	0.8
91.05468	2.5
93.07030	5.3
95.04954	2.5
95.08587	13.8
97.02886	8.1
97.10149	66.0
99.04428	3.9
99.08070	2.7
100.07608	0.7
103.03925	1.4
103.07557	2.8
105.01830	5.7
105.07011	2.4
107.07065	3.0
107.08559	1.8
109.02853	9.2
109.06486	1.1
109.10130	7.1
111.04418	2.8
111.11701	8.7
115.07522	0.8
115.32243	0.8
117.01817	0.9
117.07070	1.0
117.09120	3.1
119.08571	2.8
121.06496	1.3
121.10124	2.7
123.07935	0.8
123.11714	3.2
125.13255	1.2
125.45053	0.7
127.03896	12.6
129.10078	0.8
130.08592	4.1
131.04968	1.1
131.07039	1.5
131.08543	0.8
133.08578	43.3
133.10130	2.9
133.13745	0.6
135.11685	1.4
136.06177	0.7
137.05951	2.3
137.13208	3.7
139.14807	6.1
140.94527	0.7
141.12724	2.0
143.14267	1.3
145.04929	4.5
145.06033	0.8
145.10123	1.4
147.10156	3.3
147.11719	1.8
151.09587	1.5
155.14270	1.1
157.10106	0.9
157.15866	3.1
159.02817	3.4
159.11688	1.4
161.11708	0.8
162.07623	3.4
163.11270	1.2
165.09058	1.1
167.07071	1.9
171.11678	0.8
171.17480	1.1
171.33455	0.9
175.09685	1.4
177.11191	16.3
179.17938	3.9
186.07533	0.8
191.12834	2.4
193.14384	0.9
195.12268	11.7
197.18956	3.8
201.18480	2.0
211.20575	2.7
213.03795	0.8
215.20010	6.3
221.13770	7.4
231.04987	2.6
235.15308	6.8
239.14827	22.8
249.16869	0.9
253.16454	8.1
255.23137	5.9
256.15454	2.9
259.22763	1.6
273.24222	1.2
279.17914	4.6
289.09305	1.4
293.19550	3.2
297.19028	9.7
311.20715	3.4
413.30493	2.8
449.34647	80.4
450.35382	1.7
467.35782	28.9
487.26239	0.8
570.29480	2.3
732.34381	14.9
733.35602	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	732.545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	0.8
54.48755	0.4
55.05499	2.0
57.07066	100.0
58.07397	0.7
59.04991	31.1
69.07051	2.2
70.84641	1.0
71.08620	96.2
72.08962	1.1
73.02915	0.8
73.06544	2.5
83.08609	2.8
85.06550	0.5
85.10168	92.8
86.10520	0.6
87.04455	13.6
89.06016	83.6
90.06358	0.9
90.55814	0.5
97.10144	1.1
99.11716	10.9
99.12313	0.8
101.06045	1.0
101.09659	2.8
103.07577	1.0
105.07001	0.4
107.07066	2.5
111.11705	1.0
114.89920	0.4
117.09116	6.6
130.08611	2.4
131.07008	4.9
133.08582	66.3
134.08919	1.1
135.10077	0.5
141.16362	12.8
142.16794	0.5
147.10120	0.6
161.11739	0.8
173.11716	0.7
175.09630	5.6
177.11192	33.7
179.12694	0.7
184.07368	0.5
191.12703	0.6
199.20538	29.7
200.20891	0.7
219.12177	1.8
221.13821	7.0
222.14156	0.5
222.17209	0.5
223.15439	0.8
235.15251	0.6
239.14786	1.6
240.23195	1.9
257.24725	14.9
263.14847	0.8
265.16360	2.3
283.17459	3.1
309.19003	2.1
327.19958	2.4
353.21503	1.2
357.03476	0.4
363.47870	0.5
371.22552	1.9
397.24094	1.4
415.25470	2.3
433.86807	0.6
441.27042	2.2
459.27930	16.6
460.28055	1.2
499.31091	3.2
517.32379	2.4
533.96381	0.5
557.34985	1.1
715.50635	1.3
732.54535	10.8
733.54016	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	730.5661
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87523	0.9
53.00298	0.7
55.03969	0.7
55.05507	2.5
57.03427	2.6
57.07066	100.0
59.04990	36.4
59.64292	0.7
69.07056	2.0
69.18616	4.4
69.19040	3.1
71.08617	69.2
73.37937	0.7
73.87663	0.7
74.73550	0.7
76.69718	0.8
81.07044	1.1
83.08618	1.6
85.10168	63.7
87.04435	3.7
89.06017	22.3
95.08597	1.1
96.31508	0.7
96.80943	0.7
97.10139	3.7
99.11717	11.3
99.12311	0.9
101.06030	0.8
101.09637	4.6
103.07587	1.0
107.07068	0.9
109.10178	0.7
111.11738	1.0
113.13258	4.1
117.09105	12.1
117.09866	0.7
127.91614	0.7
130.08638	1.2
131.07115	1.2
133.08577	20.4
155.17924	12.0
158.11823	0.8
159.13850	1.0
165.10814	0.7
175.09622	1.1
177.11209	7.9
182.62804	0.7
213.22096	26.2
221.13890	1.9
239.15018	1.2
254.24855	2.5
271.26276	27.7
271.29001	1.5
283.17551	1.3
305.79984	0.7
327.20139	9.9
329.30630	3.0
367.23349	1.2
385.24432	3.3
391.93430	0.8
425.27997	0.8
443.28647	1.8
491.60767	0.8
541.36108	0.7
649.24146	0.7
720.43066	0.9
730.56622	7.2
759.30054	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.8
55.01851	1.3
55.05272	1.3
55.05504	17.4
57.03158	1.0
57.03424	14.2
57.07075	5.8
61.02914	5.2
65.03938	2.1
66.90918	0.9
67.05496	63.6
69.03419	1.5
69.07056	22.1
71.04970	4.0
71.08605	3.9
71.53043	1.2
72.39400	1.0
73.02899	1.9
79.01063	0.9
79.05479	28.9
81.03393	1.7
81.07043	71.0
83.04955	2.1
83.08607	18.1
84.08130	1.6
85.02876	2.9
85.06532	8.6
85.10183	1.7
91.03943	3.1
91.05470	15.9
93.07033	30.5
95.04949	2.2
95.08593	100.0
95.91454	1.1
96.08856	1.0
97.02860	2.2
97.06495	6.4
97.10127	3.9
99.04462	1.1
99.08088	2.8
105.07017	13.4
107.08578	17.0
109.06487	2.2
109.10141	30.2
111.08054	2.7
117.06963	3.2
119.08570	13.0
121.10117	16.4
123.08023	1.8
123.11657	3.7
127.03832	1.1
129.59650	1.0
131.08521	6.4
133.10091	10.5
133.92418	1.1
135.11687	10.9
137.09538	1.3
137.13225	3.8
145.10115	5.1
147.11636	3.7
149.13217	5.0
159.11736	1.8
161.13211	16.3
163.14774	2.9
167.14313	1.2
173.11826	1.2
173.13258	3.0
179.14256	6.5
187.14726	1.3
197.15248	1.6
201.16406	1.2
215.16365	2.1
229.14243	2.8
243.21007	3.6
261.22156	11.6
269.17371	4.4
271.18991	87.1
272.19296	1.9
313.27356	2.1
317.24792	2.4
335.25751	86.9
336.21536	1.0
336.26227	3.2
404.37717	1.1
439.35712	1.3
467.37000	3.6
513.39142	1.3
531.40375	85.1
532.40503	3.5
549.41479	2.3
599.49976	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	727.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.7
55.01865	4.3
55.05511	3.6
55.11704	0.5
55.96165	0.5
57.03414	1.7
67.05492	8.8
69.03419	4.8
69.07053	3.4
69.44807	2.4
69.45242	2.5
69.84023	0.7
70.06562	1.0
71.04971	1.0
72.65482	0.5
79.05478	6.7
79.32460	0.6
81.03403	1.3
81.07038	18.6
83.04960	1.1
83.08600	3.8
84.08116	0.6
85.02875	1.9
91.05475	6.8
93.07021	5.6
95.04940	2.6
95.08591	5.7
97.02872	10.2
97.06496	2.6
99.08072	1.1
105.07005	7.0
107.04931	2.1
107.08576	4.6
109.06480	4.3
109.10131	1.6
111.00750	1.2
111.08014	0.9
115.03887	3.4
117.07021	1.8
119.08550	5.5
121.02853	0.8
121.06499	1.4
121.10109	2.7
123.04375	0.7
123.08037	2.3
123.11677	1.5
129.06979	1.1
131.08549	2.8
133.10051	3.7
135.08032	1.2
135.11630	1.2
137.02292	3.8
137.09631	1.2
137.13171	0.7
139.07753	0.6
141.06981	0.8
143.08560	1.0
145.10086	2.6
147.07973	0.8
147.11649	3.8
149.09523	1.6
149.13254	1.6
151.11073	0.9
153.01785	4.4
157.10136	1.4
159.11624	2.4
161.09567	1.2
163.11133	1.6
165.01801	2.0
165.12720	1.6
169.10141	0.8
171.11664	0.8
173.05875	0.6
173.09621	0.6
173.13162	1.3
175.11183	1.0
177.12790	0.8
184.49359	0.6
187.14995	0.8
193.12183	0.6
195.36537	0.5
201.05431	1.4
207.13782	0.7
213.05254	0.7
229.04887	4.0
229.19395	0.9
238.35548	0.6
239.17981	0.9
257.04404	2.5
257.18994	1.9
274.04547	1.0
275.20007	17.4
285.03931	1.1
293.21033	8.2
302.04095	0.7
303.04932	100.0
304.05148	2.9
315.04901	3.5
327.04910	1.6
343.16187	0.6
345.05923	5.5
353.06335	1.1
353.20908	1.0
371.22101	2.0
381.05801	5.0
389.23019	2.5
399.07062	1.9
407.24222	2.8
417.08154	1.0
425.25449	0.8
729.27045	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.0
55.01846	1.7
55.05501	10.9
57.03160	0.6
57.03426	9.3
57.07060	2.8
59.04979	0.6
61.02917	2.7
65.03918	2.0
66.38303	0.5
67.05493	50.5
68.05852	0.6
69.03426	0.9
69.07055	16.1
71.03479	1.1
71.04988	2.9
71.08601	1.5
73.02895	1.8
75.40147	0.6
77.03899	0.5
79.05476	31.6
80.05797	0.6
81.03407	1.3
81.07039	53.7
81.48669	0.5
83.04950	3.2
83.08597	8.0
84.08140	0.6
85.02879	2.1
85.06516	2.2
85.10172	0.5
89.05990	0.7
91.03923	0.9
91.05460	15.7
93.07024	46.4
95.04956	3.9
95.08590	26.9
95.09076	0.4
97.02839	1.0
97.06513	5.8
97.10139	1.6
99.08047	1.4
105.04502	0.6
105.07013	9.6
107.08571	24.5
109.06481	1.7
109.10131	9.8
111.08037	3.6
111.11682	0.6
117.06992	6.6
119.08553	4.9
121.06506	0.7
121.10121	18.2
123.11667	4.0
130.08612	1.5
131.08540	8.5
133.10094	6.3
135.08017	0.8
135.11670	8.4
137.13258	0.7
139.11179	0.7
143.08578	0.7
145.10066	3.3
147.11656	4.2
149.13223	15.8
159.11673	7.7
161.13242	1.7
163.14745	1.0
165.12675	0.7
171.11678	0.6
173.13167	2.7
175.14754	0.9
177.12654	2.6
187.14835	1.2
195.13802	6.4
213.14763	0.9
243.21144	2.8
261.22058	8.8
267.15836	1.8
269.17429	50.5
317.24817	1.5
335.25739	53.3
336.26038	0.9
437.34094	1.4
455.35117	1.0
511.37671	0.6
529.38788	100.0
530.39185	3.3
547.39844	1.9
597.48499	0.7
726.44171	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85281	1.6
53.03923	4.8
55.01858	8.9
55.05499	28.5
57.03231	1.4
57.03431	15.0
57.07061	2.0
59.04987	2.6
60.35823	1.7
61.02914	11.2
65.03928	3.6
67.05492	59.1
69.03413	14.4
69.07053	32.4
70.06574	2.5
71.04973	7.7
71.08915	2.2
71.09248	3.6
72.08147	2.1
73.02892	8.8
73.55903	1.5
79.05474	46.1
81.03406	14.3
81.07040	75.4
83.04964	13.9
83.08596	28.7
84.04475	2.4
84.08116	3.0
85.02888	32.3
85.06526	6.3
86.09681	3.1
87.00823	1.6
91.03930	15.8
91.05463	39.8
92.90347	1.8
93.05486	4.4
93.07028	59.8
93.07622	3.1
95.04942	38.4
95.08591	31.4
97.02874	14.4
97.06506	17.8
97.10145	14.1
99.04442	7.2
99.08075	5.2
105.07011	38.8
105.75851	1.6
107.04932	12.5
107.08577	44.3
109.02842	6.2
109.06477	13.2
109.10133	23.5
111.04436	6.4
111.08064	9.7
115.03916	1.8
117.07009	15.7
119.04909	1.8
119.08552	35.5
119.09351	2.8
120.08035	2.2
121.06480	10.0
121.10125	26.1
123.08029	7.7
123.11693	6.4
125.05979	2.3
125.09596	16.4
127.03887	12.6
129.05440	1.8
129.06978	7.3
130.08624	2.3
131.04959	3.7
131.08543	25.5
133.06482	2.6
133.10109	34.6
135.08023	8.6
135.11667	20.2
137.05939	3.7
137.09549	3.9
139.11121	2.8
141.07004	2.7
143.08525	6.4
145.04973	6.1
145.10095	28.4
147.04326	1.9
147.07999	5.0
147.11653	18.1
149.09595	25.6
149.13240	15.7
151.11165	6.6
153.12729	3.2
155.08456	4.1
157.08858	1.6
157.10059	8.2
159.08026	3.2
159.11644	25.0
161.09549	7.6
161.13260	7.7
162.07607	8.8
163.06015	8.4
163.11148	20.6
165.09103	3.5
165.12689	3.2
167.07115	2.8
169.10117	4.8
171.11641	5.4
173.09624	2.1
173.11742	3.7
173.13243	10.0
175.11142	5.2
177.12680	17.3
179.10617	1.9
179.14307	5.7
181.12234	3.1
183.11656	5.2
185.13240	3.4
187.11177	4.4
189.11243	8.6
189.12692	2.4
193.12218	2.0
195.06470	1.9
195.13776	4.7
197.13226	4.6
201.16272	2.1
205.12242	4.4
211.13255	2.0
215.17831	1.9
219.13837	1.7
223.13245	16.5
227.12769	7.8
229.00183	1.7
229.14232	10.9
229.19499	3.5
239.17923	5.1
241.86235	1.8
245.13821	3.2
247.20511	4.2
251.16322	4.7
255.15857	24.5
257.18997	14.7
267.15817	3.5
269.17432	71.7
275.19986	65.9
293.21045	30.7
296.70752	1.7
309.20309	1.8
331.22888	2.0
349.23660	92.6
350.23990	2.2
367.24719	100.0
368.24933	2.7
370.32907	1.9
383.22177	2.2
385.25720	10.0
395.31842	1.9
401.23102	9.5
413.21832	2.8
415.97153	2.1
419.24219	24.0
437.25229	19.4
455.26276	4.3
461.28177	3.6
505.21310	1.7
511.29016	8.9
529.30029	2.0
728.76965	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	726.389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55717	0.4
53.03930	2.2
55.01870	2.5
55.05499	8.8
57.03428	4.7
57.07037	1.1
59.04993	0.6
61.02913	6.5
63.82947	0.4
65.03910	0.8
67.05493	20.5
68.28178	0.4
69.03426	3.3
69.07054	13.2
69.26017	0.4
70.06560	1.5
71.01977	1.0
71.04980	3.1
71.13512	0.5
72.08154	0.8
73.02898	2.8
73.44123	0.4
79.05481	17.1
80.05824	0.5
81.03410	4.5
81.07040	52.1
82.07362	0.6
83.04962	3.8
83.08129	0.7
83.08601	9.3
84.04478	0.5
84.08090	0.6
85.02425	0.6
85.02889	8.7
85.06527	2.8
86.09716	0.7
87.04445	0.6
91.03449	0.6
91.03941	4.9
91.04889	0.6
91.05463	15.0
93.07023	18.0
94.07342	0.6
95.04948	6.9
95.08591	15.0
96.08936	0.5
97.02866	5.7
97.06516	5.2
97.10129	1.9
99.04414	1.5
99.08068	2.8
105.07005	14.5
107.04413	0.4
107.04937	5.1
107.08569	11.8
109.02811	0.9
109.06494	19.5
109.10128	6.7
110.06870	0.7
110.18992	0.4
111.08067	3.6
115.03867	0.5
117.06992	4.6
119.08554	13.5
120.08084	0.5
121.06470	3.5
121.10121	9.8
123.08051	5.2
123.11660	4.5
125.09593	1.1
127.03881	2.9
129.06960	1.3
131.04933	0.9
131.08543	8.3
131.45882	0.4
133.06447	1.5
133.10106	11.4
135.08012	2.6
135.11658	5.4
137.05864	0.7
137.09601	2.8
137.13181	1.1
139.11157	0.6
143.08485	1.9
145.04910	2.0
145.06383	0.5
145.09029	0.6
145.10098	6.8
147.08023	1.2
147.11659	12.2
149.09613	5.0
149.13231	7.2
151.07529	0.8
151.11151	2.5
155.08472	0.7
157.10078	2.6
159.08037	0.9
159.11661	6.5
161.09570	1.3
161.13159	2.5
162.07594	1.8
163.06001	2.9
163.11169	3.8
163.14772	1.1
165.09042	1.2
165.12729	3.1
169.10074	1.4
171.11668	1.4
173.09564	1.3
173.13220	3.0
175.11162	2.3
175.14774	1.0
177.12698	2.6
179.14227	1.4
183.11627	0.6
185.13271	0.6
187.11125	0.7
187.14812	1.6
189.12674	0.6
191.14258	1.1
193.12206	2.0
195.13766	0.7
197.13203	0.5
201.12723	0.6
207.06506	0.5
207.13753	1.0
215.14317	0.5
219.13712	0.9
219.17270	0.6
223.09726	0.5
229.19395	1.1
239.17882	1.4
247.20552	2.2
255.15869	1.9
257.18973	3.0
267.15802	0.6
269.17410	6.1
275.20004	21.4
276.20502	0.7
293.21094	4.9
315.05176	0.5
349.23660	63.7
350.24091	2.2
367.24713	100.0
368.25058	3.8
377.25937	0.4
433.25851	0.6
443.29199	0.6
461.28003	0.7
461.33261	0.6
475.27084	0.6
479.33746	0.7
493.28043	1.1
511.29047	4.4
529.29968	7.2
538.61517	0.5
698.90051	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.7
55.01860	0.4
55.05500	1.3
57.03426	0.4
57.07043	0.3
58.37890	0.1
61.02914	0.1
65.03918	0.4
67.01859	0.1
67.05492	4.8
68.99765	0.5
69.03417	2.4
69.07061	0.9
70.78794	0.2
71.01313	0.1
71.04982	0.5
73.02891	0.2
79.05479	3.6
80.05789	0.1
81.02911	0.2
81.03403	4.5
81.07040	4.7
83.04990	0.5
83.08607	0.6
84.08130	0.1
85.02895	1.4
85.06529	0.2
87.04428	0.1
91.05463	2.6
93.03378	0.3
93.07028	4.5
95.04958	0.8
95.08590	3.7
97.02872	2.1
97.06503	0.3
97.10124	0.2
99.04436	0.6
105.03430	0.1
105.07005	2.0
106.07314	0.1
107.04942	0.2
107.08576	2.2
109.02863	1.6
109.06494	0.3
109.10139	1.4
111.00787	0.8
111.04413	0.3
111.08060	0.1
115.03931	0.1
115.05425	0.2
117.06996	1.1
119.08557	1.4
121.02856	0.8
121.06496	0.2
121.10123	1.7
123.04429	0.3
123.08089	0.2
123.11679	0.5
125.09574	0.1
127.03904	1.0
128.06183	0.1
129.05437	0.2
129.07010	0.4
130.08611	0.2
131.04948	0.1
131.08548	1.3
133.06477	0.2
133.10103	1.2
135.04428	0.1
135.08015	0.1
135.11671	1.4
137.02309	2.5
137.09615	0.2
137.13251	0.2
141.07008	0.1
142.07791	0.1
143.04887	0.1
143.08522	0.4
144.09285	0.1
145.04922	0.3
145.06467	0.3
145.10097	1.1
147.04346	0.1
147.08028	0.2
147.11644	0.8
149.02312	0.5
149.09573	0.2
149.13257	0.7
151.07535	0.1
153.00565	0.2
153.01799	3.3
155.04869	0.1
155.08521	0.1
157.06493	0.1
157.10129	0.3
159.07993	0.1
159.11662	0.8
161.05922	0.3
161.13216	0.6
163.03870	0.6
163.11168	0.1
163.14738	0.3
165.01799	1.9
166.02596	0.3
169.10094	0.3
171.11627	0.3
173.05952	0.3
173.09543	0.1
173.13222	0.8
175.11195	0.1
175.14799	0.1
183.02872	0.8
183.04321	0.2
183.11679	0.1
185.09641	0.1
185.13228	0.3
187.03923	0.2
187.11140	0.1
187.14781	0.4
191.03371	0.1
195.02866	0.3
195.11679	0.1
197.13217	0.2
199.11116	0.1
199.14839	0.2
201.05432	1.5
201.16319	0.2
205.04912	0.2
207.02878	0.1
211.03906	0.1
213.05385	0.1
219.06453	0.4
219.17215	0.1
228.04202	0.2
229.04919	4.0
230.05403	0.1
239.03458	0.1
243.21048	0.3
247.05893	0.6
257.04395	2.6
258.04706	0.1
258.77258	0.1
259.20602	0.2
261.22049	1.3
267.15768	0.2
267.20868	0.1
274.04675	0.7
275.05380	0.2
277.21515	0.2
279.23245	0.1
285.03937	1.0
285.22195	0.1
289.17792	0.1
289.21609	0.1
291.23203	0.1
303.04922	100.0
304.05264	2.6
315.23123	0.2
317.17719	0.1
319.22238	0.1
327.04709	0.1
327.23056	0.1
335.25607	0.1
341.24442	0.1
345.05853	0.4
351.23135	0.2
369.24268	0.6
387.25189	0.4
405.26321	0.4
411.07196	0.2
527.37073	0.1
725.26758	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	725.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00415	0.3
55.01856	0.6
61.02913	0.4
65.03924	0.6
67.05482	2.1
68.05006	0.7
68.79513	0.3
69.03422	0.5
69.07053	4.8
70.06581	2.2
71.04969	0.4
71.52087	0.6
72.08148	1.8
79.05457	0.9
80.05007	0.5
81.03339	0.3
81.07068	0.4
83.04963	0.5
84.04469	0.5
84.08118	2.6
85.02894	0.9
86.09676	0.8
87.04456	0.4
88.02185	0.5
88.03938	0.4
89.03902	0.7
89.05991	0.5
91.05460	1.5
93.06992	0.4
94.06553	12.0
95.04945	2.8
97.02869	0.7
97.06509	1.2
98.06064	0.6
99.04446	0.4
100.07603	1.2
103.05459	0.5
104.66447	0.3
105.07018	0.9
106.82991	0.3
107.04924	0.6
108.08109	1.5
110.06023	1.5
110.07109	0.4
112.07600	3.2
116.04958	1.9
116.07069	0.5
119.04935	0.5
119.08557	0.6
120.04476	0.4
120.08067	0.8
122.06002	35.5
123.04430	2.0
123.06380	0.6
123.08031	0.4
124.07552	0.8
127.03905	0.5
129.10207	0.9
130.06554	0.4
133.10117	0.8
136.07494	0.6
137.05934	1.1
140.07036	53.2
141.07802	0.4
144.04428	4.6
145.10129	0.6
146.05969	9.6
147.04387	1.5
148.03827	0.6
148.07526	0.5
149.05917	0.4
150.05440	0.6
154.08554	0.9
161.09604	0.6
162.05466	4.9
164.07002	0.7
167.07007	1.1
172.03900	46.7
173.04327	1.4
174.05479	10.5
177.05482	1.0
178.08617	1.2
181.08675	0.4
187.11121	0.7
190.04970	3.5
191.05730	1.5
192.06499	2.2
204.06520	100.0
205.06909	4.2
206.08087	26.1
207.08354	0.5
209.08075	0.6
240.10027	0.5
244.09599	0.9
267.11096	0.7
271.10626	0.4
285.12268	1.6
289.11789	1.7
295.10727	0.8
298.28485	1.2
299.28613	0.4
300.12265	1.7
303.04651	0.4
307.12637	0.6
308.08936	0.6
312.84137	0.4
313.11761	16.5
314.11960	0.5
327.13364	1.6
331.12802	11.4
332.13007	0.6
345.14386	66.7
346.14667	3.4
363.15390	9.7
364.16101	0.5
381.16275	0.7
516.17853	0.9
518.18866	0.6
520.20300	0.5
536.19812	1.2
548.19983	0.9
589.26324	0.6
625.22937	1.9
643.23865	0.6
657.24835	1.6
689.27979	0.7
736.39246	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.4456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.7
55.01854	4.9
55.05506	16.3
55.86356	1.3
57.03416	4.5
57.07057	3.1
65.03926	4.3
65.81805	1.4
67.05492	49.2
69.03415	32.7
69.07058	16.5
69.76096	7.1
69.76519	3.1
71.04981	6.9
71.08629	3.4
73.02912	1.4
77.03914	1.4
79.05478	37.6
81.03400	29.2
81.06575	3.1
81.07041	52.8
83.04967	12.7
83.08604	7.9
84.08142	3.2
85.02895	16.7
85.06522	2.2
86.09685	5.4
87.04462	4.6
87.74390	1.2
89.06007	6.6
91.05463	43.2
93.07026	51.7
95.04942	19.7
95.08591	44.2
97.02869	14.5
97.06522	9.0
97.10146	3.7
97.90398	1.4
98.20794	1.7
98.21341	3.2
99.04425	7.0
103.03920	1.8
103.05458	1.5
104.56841	1.6
105.06303	2.7
105.07013	53.9
107.04941	6.1
107.08574	33.5
109.02834	9.3
109.06498	17.1
109.10136	21.2
111.04417	17.5
111.08070	4.1
113.05990	6.7
115.05420	3.3
117.05511	1.8
117.07000	19.8
119.08559	54.3
121.02865	3.0
121.06477	10.6
121.10122	31.8
123.04409	3.7
123.08037	7.7
123.11685	5.4
124.99974	4.9
125.09607	2.9
127.03912	8.8
128.06197	5.4
129.05510	2.1
129.06970	13.0
130.07730	3.0
130.08643	3.9
131.08536	46.2
133.06456	5.6
133.08565	5.5
133.10103	31.7
135.04459	1.9
135.08017	16.4
135.11664	15.9
137.05977	4.1
137.09558	6.8
137.13252	2.8
139.07512	2.0
141.06973	3.6
142.07747	4.9
143.08527	25.2
144.05688	1.6
144.09335	4.4
145.05110	1.3
145.06444	7.6
145.10101	32.6
145.11263	2.0
146.07233	1.7
147.08014	18.7
147.11661	15.4
149.05951	2.6
149.09583	26.3
149.13216	9.4
151.07507	4.6
151.11108	2.6
153.07008	2.7
153.09004	1.8
155.08516	7.5
155.10663	1.5
156.09305	5.6
157.06496	3.3
157.10086	17.9
158.07253	4.2
158.10738	1.5
159.08047	17.3
159.11659	32.8
159.12991	1.7
160.19104	1.4
161.05890	1.7
161.09592	24.8
161.13240	9.1
163.07457	3.4
163.11165	4.0
163.14760	3.9
165.06975	2.5
165.09061	9.6
166.07713	3.9
167.08527	2.9
167.10649	5.5
168.09328	4.0
169.10126	6.5
171.07982	7.7
171.11673	12.2
172.08804	5.9
173.05664	1.7
173.09613	6.6
173.13232	19.4
175.07526	11.2
175.11153	10.9
175.14737	3.6
177.09178	2.8
177.12740	2.6
181.10095	8.3
183.08008	2.1
183.11656	10.5
184.07304	21.4
184.08759	2.9
185.09618	6.8
185.13214	7.5
186.10258	1.8
187.07504	1.5
187.11150	16.1
187.14807	5.0
189.09082	17.1
189.12729	5.8
191.14256	2.6
193.08539	3.3
193.10103	5.1
195.11684	2.0
195.13684	1.3
196.08755	5.9
197.13251	3.4
199.11139	38.4
199.14816	4.1
201.12704	11.9
203.10579	7.4
203.14366	2.4
205.12215	5.0
207.10107	19.1
207.11847	2.2
209.13203	2.6
211.11116	13.1
213.16467	2.5
217.12187	29.6
219.13806	6.8
222.60281	1.4
223.14934	1.8
223.16980	1.8
225.12633	1.9
227.14348	2.0
229.12221	21.1
235.13159	7.7
241.19499	2.0
243.21074	3.6
247.13257	100.0
248.13608	5.5
258.05347	2.3
259.16788	1.5
259.20557	6.4
261.22092	9.2
263.03531	1.5
265.14301	99.2
266.14725	5.7
271.20609	2.2
273.22040	3.9
277.21646	5.6
279.23251	3.2
283.20584	1.6
285.22021	2.6
286.04611	6.9
289.21643	4.0
291.23120	5.5
292.19122	3.3
299.16403	1.6
301.06964	26.4
301.21802	2.9
303.23044	10.3
313.21649	1.7
315.23175	4.7
319.22479	4.2
323.23795	1.9
327.23181	5.6
329.20947	1.9
341.24680	5.5
345.24069	4.2
351.22781	7.1
359.25778	2.1
369.24146	31.7
387.25217	27.0
405.26300	30.8
406.26807	2.4
409.18451	2.3
423.27353	8.6
610.44232	4.2
722.44763	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	720.4875
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.2
55.05503	10.0
55.72284	1.3
56.93502	1.2
57.03426	10.5
57.07064	28.4
60.25082	1.3
61.02907	3.6
67.05493	25.8
69.03405	1.6
69.07055	17.5
69.73648	9.6
71.04967	2.3
71.08616	22.6
79.05466	7.4
81.07037	72.7
83.04958	6.1
83.08600	16.3
84.17154	1.5
85.02898	2.1
85.06519	4.3
85.10166	12.8
89.06027	2.1
91.03967	1.5
91.05455	14.8
93.07012	9.4
95.04911	1.8
95.08585	28.9
97.02878	1.9
97.06511	4.6
97.10152	5.3
99.08067	3.2
105.07013	27.7
107.08578	9.2
109.06493	2.8
109.10131	9.3
111.11678	1.8
113.05998	1.5
119.08555	22.4
121.10117	11.8
123.08068	3.1
123.11687	24.4
127.03876	1.5
127.07513	2.6
131.70831	1.3
133.10104	1.7
137.13200	2.6
147.11661	59.2
148.12074	1.8
157.10101	2.1
165.12709	18.4
175.11076	1.7
183.13725	3.0
220.96457	1.4
229.14352	3.6
239.23553	1.6
247.00322	1.4
267.15860	87.0
285.16895	91.1
286.17178	1.8
313.27304	98.7
314.27673	3.7
331.28271	2.4
448.22055	2.0
476.21710	4.8
523.39838	100.0
524.40594	7.3
536.23590	3.0
563.26038	2.9
622.27307	4.4
623.27936	20.7
624.27747	2.6
657.24036	1.5
697.29291	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	722.3765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.6
55.01847	4.8
55.05499	1.8
57.03426	7.9
59.04990	100.0
61.02917	2.1
62.92728	1.3
64.15614	1.2
67.05488	3.6
68.05038	1.6
69.03133	1.2
69.03420	13.9
69.07050	6.9
69.50743	3.0
69.51145	7.5
70.06569	10.5
71.04967	5.3
72.08118	1.9
73.02894	4.3
73.06538	1.6
77.35915	1.3
79.05468	3.5
81.03391	11.1
81.07037	4.9
82.06571	1.7
83.04958	3.3
84.08118	7.4
85.02888	25.9
86.06040	3.5
86.09677	4.3
87.00806	7.4
87.04459	13.0
89.06013	83.5
91.05461	4.9
93.07011	2.4
94.06532	4.2
95.04936	4.6
95.08591	3.0
97.02873	10.5
97.06495	2.6
98.06028	1.5
99.04414	5.0
100.07595	2.5
101.06010	8.7
103.07539	3.3
105.01842	6.0
105.07004	4.2
107.04928	1.7
107.07048	4.1
107.08600	2.8
109.02851	12.1
109.06505	2.1
109.10168	2.4
110.07131	3.3
115.07561	3.0
116.07046	5.1
116.10709	7.0
117.09105	24.6
119.08522	3.3
121.06479	2.3
121.10080	2.5
122.06031	14.1
123.04364	1.6
127.03887	17.7
129.10196	2.8
130.08594	4.0
131.06973	2.1
131.08582	2.6
133.08580	49.1
133.10083	3.0
135.04388	1.3
135.08110	1.4
135.11691	1.5
136.07524	2.6
137.05942	9.8
138.05467	1.8
140.07034	21.1
142.08612	3.2
143.07018	3.4
145.04929	6.1
145.10088	2.1
146.05960	4.6
146.08131	1.3
147.04359	1.5
149.05869	1.8
151.07489	2.7
159.02850	5.0
161.11755	2.1
163.07465	1.8
165.09117	2.3
167.07018	17.1
172.03905	10.1
174.05458	10.7
175.07581	2.2
175.13255	9.6
177.05429	2.7
177.11200	22.8
178.04959	1.3
179.06940	2.2
183.06465	3.6
190.04837	1.9
190.08511	2.2
192.06392	2.1
193.08586	1.8
194.62639	1.6
195.12306	2.5
204.06512	16.9
206.04424	3.9
206.08125	5.8
209.08080	2.6
212.16411	2.1
218.08093	1.6
219.12190	2.0
221.13777	3.3
231.04950	2.0
233.06117	1.5
234.48685	1.5
239.14883	4.7
246.07590	2.6
278.10150	2.4
283.17456	71.5
285.12228	1.9
297.19037	1.9
313.11810	7.0
329.10995	1.8
331.12781	2.4
333.08557	1.5
336.78479	1.4
339.12036	1.9
341.13821	4.5
341.21622	27.0
342.22519	1.7
345.14371	8.3
359.14719	6.2
360.23581	4.7
363.15375	1.9
399.25757	18.3
457.30032	41.2
506.18964	5.0
511.31015	1.6
518.15851	2.0
532.18262	1.8
550.18170	3.4
608.28552	3.9
641.21637	2.5
647.26581	3.1
673.24500	5.9
691.25989	1.6
696.02161	1.6
722.36749	4.6
723.28455	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	720.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.4
55.01861	1.2
60.76054	0.3
65.03932	4.8
65.84504	0.3
67.05489	1.0
68.26434	0.3
69.50143	2.2
70.06585	0.6
71.04987	0.6
75.04456	0.8
78.04714	0.5
79.05473	0.9
81.03416	0.5
81.07053	0.8
82.00490	0.3
82.04190	1.0
85.02887	1.0
86.09695	0.9
88.03915	0.3
89.03938	0.4
89.05993	0.4
91.05451	2.4
93.03397	3.9
93.07033	0.9
95.01307	0.6
95.04952	1.7
95.08559	0.3
97.06499	1.0
98.20639	0.3
100.11222	0.3
103.05451	1.1
104.10725	0.9
105.07003	0.7
106.04160	3.8
107.04955	3.2
109.02856	0.3
109.06510	0.4
110.03651	5.7
111.04431	7.0
119.04956	0.5
121.02847	4.7
121.06497	4.9
123.04420	0.9
124.99973	0.3
125.05980	8.4
129.06975	0.9
131.04936	1.7
131.08546	0.4
133.02890	0.7
133.06453	0.3
134.03572	0.8
135.04379	0.6
135.08078	0.4
137.05957	2.8
138.03116	0.6
139.03882	0.7
139.07507	0.6
141.12718	0.9
143.04842	0.4
144.05693	0.4
145.02800	0.4
145.06461	1.0
147.04402	1.0
147.08018	0.6
148.05168	0.4
149.02330	2.0
149.05966	7.9
151.02112	0.4
151.03862	0.9
151.07510	1.3
153.05441	16.0
153.09064	2.3
154.99193	0.3
157.06454	1.1
159.04283	0.3
159.08003	0.5
160.05113	0.3
161.05963	1.8
161.09578	1.2
162.01369	0.9
162.06725	0.6
163.02309	0.3
163.03897	1.3
163.07507	1.3
165.06967	0.5
166.06287	0.5
166.07697	0.4
167.07036	5.9
167.08424	0.6
174.06766	0.8
175.07516	1.1
177.05453	6.0
177.06898	0.6
178.07729	0.6
179.01642	0.4
179.07060	0.5
179.08490	0.5
181.03409	0.4
181.04958	1.8
181.06369	0.6
181.08574	5.1
182.07156	0.5
183.08020	0.4
184.05254	0.4
184.07346	1.3
187.07570	0.8
188.08264	0.5
189.09106	2.4
190.00858	1.1
191.07019	2.1
191.08492	0.5
192.07779	0.4
193.08527	0.5
194.07227	0.5
195.06473	0.6
195.08067	1.0
197.05948	0.6
197.09647	0.9
198.06801	0.4
205.06514	0.6
206.07179	0.5
207.08342	0.4
208.08740	0.4
209.08054	31.6
210.06731	1.5
210.08469	0.6
211.07533	1.1
212.08241	0.7
217.08641	0.4
219.08145	0.5
219.10176	0.6
220.08815	0.4
221.05997	0.9
221.09634	1.6
222.06673	0.8
222.10446	0.6
223.04205	13.7
223.07404	2.5
223.11153	0.6
224.08301	1.0
225.05591	0.5
225.09079	2.6
226.06197	0.4
226.09837	0.3
227.06926	1.0
227.10706	1.1
234.06728	1.3
235.07483	0.6
236.08084	0.5
237.05403	0.6
237.09157	1.1
238.06219	1.6
238.09784	2.0
239.06966	2.1
239.10614	1.2
240.07784	5.8
241.08463	1.4
249.05347	0.4
249.09039	1.7
249.11217	0.9
250.09857	0.6
251.07014	1.5
251.10620	0.5
252.07709	1.9
253.08585	9.4
253.12212	5.0
254.09174	1.5
254.13087	0.3
255.06538	1.6
255.10132	3.1
257.08069	1.2
257.11789	0.5
261.09088	0.5
263.10733	0.5
265.08582	1.4
266.09296	2.5
267.06558	0.9
267.10165	2.4
268.07150	1.5
268.10071	0.3
269.08093	2.4
269.11203	0.4
270.08774	1.9
270.12469	0.6
271.13248	0.7
277.08511	1.3
278.09335	0.5
279.06635	0.4
279.10220	1.0
280.07224	0.4
281.08127	2.9
281.11707	5.0
282.08786	1.3
283.06360	0.4
283.09671	5.8
283.12894	0.4
284.10342	2.3
285.11172	3.9
285.14813	2.2
294.08896	0.8
295.09576	2.5
296.10330	1.0
297.11108	1.6
298.08813	0.4
298.11792	1.6
299.09262	0.5
299.12708	4.7
300.09695	0.7
301.10727	0.5
303.15933	1.0
309.11160	5.7
310.11905	2.0
311.09106	0.4
311.12531	0.7
312.08929	3.2
313.10657	7.8
313.14297	3.6
325.10687	0.8
326.11401	0.7
327.12225	20.5
328.12878	2.2
329.13785	3.0
330.10040	1.1
331.15414	3.4
339.12341	1.3
341.13824	3.5
343.15353	1.2
345.17001	0.5
357.13181	1.5
359.14835	100.0
360.15112	3.4
361.16431	3.9
364.69208	0.4
371.14856	7.8
372.15527	0.4
389.15936	4.6
516.51093	0.4
621.31458	0.4
719.46625	1.0
720.32239	0.7
720.47083	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.5292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.7
55.75756	0.5
57.07067	59.7
59.04992	13.4
67.74033	0.5
69.07048	1.4
69.84791	1.3
69.85219	1.9
71.08621	54.3
73.02895	1.2
73.06541	4.7
83.08612	2.1
85.10170	47.5
87.04459	16.3
89.06017	100.0
97.10125	1.0
98.21265	1.1
99.11736	4.8
103.07568	7.3
107.07060	3.2
113.05994	0.5
117.09106	5.5
129.09117	0.7
130.08629	2.9
131.07021	6.1
133.08585	80.0
134.08937	0.8
135.10149	1.0
141.16342	5.2
149.83812	0.6
161.11676	1.7
175.09616	5.2
177.11194	38.0
179.12610	0.6
199.20541	7.0
216.08835	0.5
219.12219	3.0
221.13799	7.7
239.14844	1.8
243.23157	6.9
251.12932	0.5
265.16409	2.4
283.17346	3.2
287.25934	0.7
309.19083	2.0
312.11282	0.6
327.20074	1.7
340.88806	0.6
353.21686	1.4
356.42334	0.5
371.22760	1.2
372.53143	0.6
397.24484	1.0
415.25253	1.2
441.26749	1.1
459.27844	2.1
485.29678	1.1
503.30502	11.5
543.33716	3.2
629.72455	0.6
701.50153	3.0
718.42175	0.8
718.53192	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	719.4883
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86021	1.9
55.05498	3.8
57.03411	3.3
57.07066	98.2
58.04209	14.8
59.04690	3.5
59.04991	50.3
59.52522	1.8
67.05476	7.0
69.07051	6.0
71.04955	4.3
71.08617	100.0
72.05761	30.5
73.02906	17.5
73.06545	42.5
73.13634	1.8
74.50134	2.0
75.04471	3.0
81.07029	7.2
83.08611	8.5
85.10168	85.1
86.07312	2.5
87.04452	55.1
88.05232	6.8
88.07623	3.1
89.06014	62.8
90.01896	78.5
95.08584	8.2
97.10146	4.0
99.11703	7.8
101.06001	6.5
102.05514	2.8
102.06759	4.3
103.07564	26.5
105.07023	5.8
109.10146	4.8
113.05939	2.4
114.09091	2.1
115.07546	2.7
116.08344	9.1
117.09113	33.9
130.08644	3.8
131.07104	7.4
133.08571	31.3
138.13995	4.8
141.16365	9.3
146.09622	30.6
147.10051	16.4
149.11661	2.1
158.09665	2.1
160.11143	9.9
161.11682	15.2
163.09673	2.5
169.15852	7.6
175.09648	2.9
177.11168	13.0
178.07039	10.3
192.10176	3.3
194.13901	3.7
198.19748	3.0
199.20547	8.4
208.15396	5.7
209.13806	4.0
210.27405	2.0
218.11798	2.3
221.13840	4.1
222.09673	16.6
222.16977	9.2
223.15369	2.6
224.14883	5.4
236.12460	2.0
238.16444	3.5
243.23190	6.3
252.18066	8.2
253.16339	2.6
264.15649	2.1
266.12375	7.5
266.19565	12.1
268.17538	4.1
271.16086	4.8
278.13803	23.8
279.14072	17.6
282.19086	3.9
285.17761	6.8
296.14978	3.5
296.20590	19.0
310.22144	17.8
312.20029	4.9
315.18732	3.8
326.21689	6.4
329.20090	2.8
340.23340	10.7
348.31003	5.7
354.24759	9.0
356.22659	4.3
359.21014	2.8
370.23996	3.0
392.33618	17.1
398.27405	7.0
408.32935	3.1
414.26907	2.4
436.36206	11.0
480.38995	17.5
484.21628	2.5
496.38382	3.9
504.26315	2.7
524.41919	3.6
540.40784	3.5
568.44098	40.2
584.43195	7.0
612.46918	4.2
621.48547	2.6
628.46185	9.6
652.48334	2.2
716.24695	2.2
719.49548	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	718.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19805	0.8
53.03930	3.3
55.01849	2.6
55.05503	39.8
57.03415	2.8
57.07066	21.0
58.69587	0.9
59.04997	10.0
60.04507	1.8
61.02916	1.6
67.05503	8.2
69.03423	12.7
69.07058	58.5
69.31213	0.8
70.06564	4.0
71.04974	5.2
71.08611	3.9
71.52230	1.3
72.04495	2.8
73.02888	3.7
73.06542	0.9
79.05460	3.4
80.05019	0.8
81.03407	9.5
81.07044	15.8
82.07326	1.0
83.04956	3.0
83.08604	100.0
84.04478	2.0
84.08122	3.9
84.08930	1.3
85.02891	25.1
85.06516	3.0
86.09684	3.7
87.00810	7.9
87.04453	3.8
89.06015	53.2
91.05450	3.9
93.07037	6.8
95.04955	3.1
95.08589	12.7
97.02879	8.8
97.06517	1.6
97.10150	27.1
98.06002	1.6
98.10484	0.9
99.04431	4.9
99.08070	2.6
103.07588	1.8
105.01835	5.6
105.07011	7.1
107.04888	1.1
107.06999	2.0
107.08577	5.4
109.02853	7.3
109.06480	2.5
109.10143	9.1
111.04411	2.6
111.08081	1.1
116.73117	0.8
117.07021	1.8
117.09075	0.9
119.04918	1.3
119.08542	5.6
121.06471	1.9
121.10112	4.2
123.08045	2.2
123.11674	4.1
124.07536	1.1
125.05928	1.4
125.09570	1.1
125.13237	6.7
126.05527	2.0
127.03897	13.5
129.01816	1.4
129.05492	1.1
129.07033	1.2
129.10208	1.5
130.08632	2.7
131.07018	2.3
131.08559	1.9
133.08582	49.9
133.10059	4.3
135.08018	2.1
135.11697	2.0
136.06174	2.2
137.05962	2.6
137.09592	1.8
137.13214	2.6
139.11171	1.4
139.14803	2.4
143.14223	2.0
144.06557	1.7
145.04913	3.4
145.10091	2.0
147.04430	1.1
147.08020	1.1
147.10136	1.6
147.11613	1.2
149.05971	0.9
149.09506	1.7
149.13191	1.2
151.07521	1.8
151.09662	1.4
151.11082	1.3
154.47630	1.0
155.08430	1.0
157.10005	1.5
157.15819	2.8
159.02852	4.1
159.08063	1.3
161.05986	1.3
162.07599	11.5
163.11179	1.2
165.09106	2.2
165.16373	1.9
167.07074	2.3
169.12219	1.0
171.11621	1.5
175.09689	1.9
177.05345	1.0
177.11195	15.2
179.17809	1.9
183.17360	1.9
187.14766	1.5
191.07062	1.1
195.12216	6.4
197.18997	3.3
201.16548	1.0
201.18497	3.6
207.06522	1.4
215.19997	1.0
219.10161	1.3
221.13768	10.9
231.04898	1.7
235.15260	2.6
239.14833	31.3
241.21498	7.0
248.07637	4.0
253.16380	3.4
259.22620	1.7
279.17908	5.6
289.09253	1.5
293.19675	2.1
294.11560	1.6
297.18997	11.4
311.20602	1.7
401.80621	1.1
434.33206	1.5
435.33105	79.3
436.33319	5.6
452.34192	1.5
453.34198	28.3
454.34317	1.4
718.39410	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01608	0.4
51.02380	0.6
51.61649	0.3
52.03157	0.4
53.03933	0.6
55.01863	2.7
57.03433	0.4
65.03922	2.5
66.04707	0.5
67.05492	1.5
68.43793	0.3
68.99783	0.5
69.03419	1.0
69.07050	0.4
70.06575	0.6
71.01993	0.5
71.02302	0.5
71.04984	0.8
73.50590	0.3
75.04464	1.4
77.03940	0.9
78.04704	1.2
79.05087	0.5
79.05475	2.6
81.03400	2.8
81.07044	1.0
82.04190	0.6
83.04957	0.4
84.04478	0.3
84.08111	0.4
85.02886	3.5
89.03903	1.0
89.05990	0.7
91.05457	6.6
93.03391	5.2
93.07021	3.1
94.04168	1.3
95.01297	0.5
95.04959	4.7
95.08595	0.6
97.02833	0.3
97.06504	1.7
102.04609	0.6
102.52291	0.3
103.05443	21.0
105.03372	1.4
105.04491	0.5
105.07011	3.1
106.04152	8.8
107.04939	6.1
107.08554	0.3
108.02061	1.2
109.02840	0.6
109.06477	1.9
109.10100	0.5
110.03651	0.5
111.04425	1.8
115.05434	3.4
116.06210	0.4
117.03373	0.6
117.07005	3.3
118.04124	3.1
119.04906	2.5
119.08526	0.8
120.05685	1.0
121.06480	13.3
121.10116	0.5
122.03631	3.4
123.02565	0.4
123.04405	2.4
123.08006	0.5
124.05189	0.9
125.05959	6.4
127.03891	0.4
127.07516	0.3
129.06976	1.3
130.04117	1.1
131.04900	33.1
132.05638	1.3
133.02815	1.6
133.06471	4.1
134.02745	0.4
134.03618	2.1
135.04358	1.8
135.08017	2.5
136.05147	0.4
137.05949	56.3
138.06294	0.7
139.07506	1.6
141.05470	1.6
141.06903	0.3
142.02576	0.4
143.04889	1.2
144.05682	1.1
145.02823	1.0
145.06436	3.7
146.03584	1.2
147.04419	2.4
147.08025	1.2
148.05167	9.6
149.05952	21.9
150.06296	0.5
151.03874	69.4
151.04936	3.8
151.07452	2.7
152.04323	1.0
153.05449	3.1
153.09064	5.5
155.07040	0.6
157.06442	1.6
159.04350	1.2
159.08015	1.0
160.05125	1.6
161.05960	3.8
162.01283	1.3
162.06525	0.5
162.07700	0.7
163.02051	0.8
163.03864	2.7
163.07507	24.0
164.07863	0.6
165.05435	3.5
165.06760	0.6
165.09070	0.7
166.06282	0.4
167.07004	16.9
171.04353	0.8
171.06509	1.0
173.05966	3.5
174.06714	0.8
175.03914	0.4
175.07530	5.7
176.04660	2.9
177.05432	16.9
177.09061	1.3
178.00813	0.4
178.06073	0.9
179.01546	1.2
179.03081	0.4
179.06989	1.6
179.08441	0.6
180.07776	0.7
181.04921	25.2
181.08530	11.9
182.05217	0.4
185.05952	0.5
187.07529	2.8
189.05396	1.4
189.09044	1.2
190.00795	1.5
190.06194	1.0
191.06987	100.0
192.07541	3.0
193.03169	2.3
193.04912	1.1
193.06683	0.5
193.08569	2.1
194.05602	0.4
195.06488	2.6
199.07506	0.7
201.05437	0.9
203.06924	3.7
205.06491	1.0
205.08563	3.3
206.07042	0.4
207.06447	1.0
207.08328	0.5
207.10153	1.2
208.01784	0.7
209.08044	87.9
210.08397	1.0
211.07437	0.7
217.06522	0.5
217.08542	1.2
219.06218	0.4
219.08075	0.8
219.10101	2.0
221.07986	0.8
223.04190	16.7
223.07481	0.7
223.09572	1.2
224.04567	0.4
224.08150	0.3
227.07054	0.5
231.06444	1.0
233.05901	0.8
233.07964	3.0
234.06708	0.7
235.07431	1.0
235.09586	4.0
237.08980	1.5
241.08488	0.4
245.08047	1.1
247.07521	0.6
249.08965	1.2
249.11232	0.5
250.06212	0.5
251.06876	0.7
253.08575	0.4
262.06131	0.6
263.09113	18.5
264.09506	0.5
265.08557	2.1
266.09393	0.5
267.06351	0.4
267.10150	1.4
269.11703	0.5
276.07892	0.4
277.08536	1.3
279.10175	1.0
280.07208	0.4
281.08347	0.3
281.11508	0.8
282.08090	0.4
283.09641	0.6
285.11075	0.4
291.10068	0.5
293.08179	1.0
294.08597	0.6
294.11746	0.4
295.09534	1.4
297.11142	0.8
299.12643	0.7
301.10834	0.4
305.08090	0.4
307.09634	0.8
309.11020	1.4
312.08887	2.3
312.52032	0.3
314.11469	0.4
319.09311	0.4
323.08957	0.4
325.10684	1.7
327.12296	2.5
329.13669	1.4
330.10165	0.7
337.10422	0.8
339.12140	0.5
341.13596	0.9
351.12119	1.0
355.11655	7.3
357.13266	1.8
359.14780	1.2
369.13242	3.6
371.14523	0.4
374.62640	0.4
385.12646	1.4
387.14288	32.1
388.14478	1.2
417.15344	3.4
493.37585	0.3
532.99042	0.3
538.92255	0.3
547.19312	0.9
579.21747	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	718.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.4
51.02372	0.5
51.20982	0.2
52.03148	0.3
53.03944	0.8
55.01858	2.2
56.58563	0.3
57.03431	0.3
61.02914	0.4
65.03924	2.7
66.04710	0.5
67.05491	1.8
68.99792	0.2
69.03413	0.7
69.21054	0.4
69.21454	2.7
70.06574	1.0
71.01327	0.4
71.04979	0.6
72.08142	0.3
75.04462	1.7
77.03922	0.6
78.04712	1.2
79.05477	3.2
79.45989	0.2
81.03423	1.7
81.07040	0.8
82.04206	0.6
83.04957	0.4
84.08132	1.0
85.02894	3.9
86.09693	0.8
89.03905	0.9
89.06024	0.8
91.05468	7.4
91.06011	0.6
92.02586	0.3
92.06243	0.3
93.03386	6.5
93.07042	3.0
94.04180	1.2
95.04948	5.1
95.08567	0.3
97.02842	0.4
97.06514	1.6
98.21459	0.6
102.04665	0.3
103.05447	21.1
105.03383	1.7
105.04510	0.5
105.07013	3.9
106.04157	10.5
107.04937	6.8
107.08528	0.4
108.02087	1.2
109.02847	0.7
109.06479	1.5
110.03633	0.8
111.04416	1.4
115.05433	2.9
116.06252	0.3
117.03315	0.6
117.07008	3.3
118.04137	4.6
118.04935	0.4
119.04935	2.4
119.08580	0.9
120.05736	0.8
121.02914	0.4
121.06483	13.5
122.03611	3.3
122.07217	0.3
123.04415	2.7
123.08053	0.3
124.05186	0.9
125.05973	5.9
127.03902	0.3
127.05359	0.3
127.07581	0.3
128.06226	0.5
129.06967	1.7
129.10202	0.7
130.04149	0.8
130.08633	0.3
131.04906	32.3
131.08580	0.5
132.05785	1.4
133.02809	1.4
133.06456	4.5
134.03603	2.7
135.04391	1.6
135.07986	1.6
137.05954	56.2
138.03120	0.4
138.06331	0.6
139.07510	1.5
141.05450	1.9
142.02576	0.3
143.04947	1.4
144.05690	1.0
145.02809	1.0
145.06453	4.1
146.03590	0.6
146.07199	0.3
147.04366	1.9
147.07964	1.5
148.05161	10.0
149.04214	0.4
149.05957	23.3
151.03882	68.2
151.04948	4.2
151.07405	1.7
152.04359	0.9
153.05452	3.0
153.09073	6.6
157.06488	1.4
159.04390	0.9
159.08020	1.0
160.05211	1.5
161.05969	4.2
162.01276	1.3
162.06555	0.4
162.07683	0.5
163.02184	0.6
163.03883	2.2
163.07512	24.3
164.07918	0.4
165.05458	3.5
165.06798	0.3
165.09134	0.9
166.06184	0.7
167.07013	17.7
171.04355	1.2
171.06522	1.1
172.05203	0.6
173.05949	3.7
174.06706	1.1
175.03912	0.5
175.07521	4.7
175.47871	0.3
176.04684	2.8
177.05446	18.8
177.09082	0.9
178.06192	0.4
179.01588	0.7
179.07018	2.3
179.08417	0.6
180.02191	0.3
180.07710	0.6
181.04929	24.5
181.08542	13.1
182.05219	0.3
187.07478	1.9
188.08385	0.3
189.05482	1.3
189.07092	0.3
189.08998	1.5
190.00815	1.1
190.06154	0.9
191.06995	100.0
192.07574	2.3
193.03159	2.3
193.04941	1.3
193.08588	2.4
195.06479	2.4
199.07599	0.4
201.05400	0.8
201.09126	0.3
203.06987	3.4
205.06564	0.7
205.08533	4.1
207.06442	0.9
207.08398	0.8
207.10349	1.3
208.01811	1.0
209.08052	93.4
210.08420	1.8
211.07556	0.3
213.05431	0.3
213.08951	0.3
215.06963	0.4
217.06622	0.4
217.08391	1.3
219.06287	0.4
219.08084	0.6
219.09985	2.2
221.08034	0.8
223.04192	14.5
223.09674	1.0
224.04599	0.2
224.08482	0.3
225.07417	0.4
231.06474	0.9
233.07959	3.4
234.06732	0.9
235.07463	0.9
235.09610	3.3
237.08974	1.8
239.07100	0.4
241.08562	0.4
241.13031	0.3
245.07997	0.9
247.07442	0.7
249.09047	1.0
250.06128	0.4
251.06967	0.8
255.10143	0.6
259.09616	0.7
263.09103	19.1
265.08527	1.9
266.09125	0.4
267.10031	1.4
276.07834	0.4
277.08633	1.3
278.09177	0.4
279.06418	0.4
279.09955	0.5
282.08481	0.5
283.09720	0.5
291.10007	0.4
293.07993	0.7
294.08902	0.7
295.06644	0.3
295.09476	1.6
297.11130	1.1
299.09155	0.6
299.12711	0.5
300.09015	0.6
301.10754	0.4
305.07974	0.6
307.09586	0.7
309.11111	1.5
310.08163	0.4
311.09012	0.3
312.08963	2.9
314.11316	0.5
325.10660	1.8
327.08740	0.4
327.12155	2.8
329.13757	1.6
330.09808	0.7
332.96664	0.3
337.10553	1.2
339.12070	0.8
341.13779	1.1
351.12122	0.9
355.11707	7.1
357.13333	2.4
359.14789	1.4
367.11664	0.4
369.13263	3.9
371.14871	0.4
385.12521	2.3
387.14313	30.3
388.14618	0.8
399.14264	0.8
409.71884	0.3
417.15332	3.7
547.19385	0.8
579.22076	1.6
718.43280	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.5087
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06827	1.4
55.05503	3.0
57.03426	3.7
57.07066	100.0
58.04206	8.0
59.04991	44.5
67.05488	1.8
69.07047	4.3
69.23083	16.0
71.08621	69.5
72.05757	5.4
72.19620	1.3
73.02919	3.8
73.06183	1.8
73.06539	10.7
79.66573	1.2
81.07052	2.2
83.08610	3.6
84.14252	1.2
85.10166	63.7
86.07323	2.2
87.04453	10.5
87.08090	3.2
89.06017	10.4
90.01908	24.5
95.08602	2.4
97.10167	4.4
97.31880	1.2
99.11704	10.3
100.07626	1.3
100.08845	1.6
101.05977	4.1
101.09662	4.8
103.07537	6.5
113.13271	3.8
114.06805	1.7
115.07529	2.6
116.08329	2.0
117.09107	14.4
127.01831	1.2
129.09091	1.8
133.08600	7.8
141.09531	1.5
147.10149	1.9
152.15546	2.2
155.17886	8.6
161.11703	2.1
177.11218	2.8
178.07083	2.7
183.17430	3.6
208.15431	1.7
213.22112	13.8
222.09732	6.0
223.15535	1.5
229.36760	1.5
252.18047	3.3
254.24782	2.5
266.19748	4.0
271.26199	14.4
282.19077	3.4
285.17770	1.8
296.20694	3.0
312.20102	3.4
317.38843	1.7
324.23886	2.7
354.24930	1.9
372.18640	5.1
381.17285	1.4
382.27979	2.0
434.38281	4.0
478.40897	4.3
494.00003	1.4
494.39859	2.1
522.43127	2.0
566.46320	11.1
626.47882	3.9
717.50690	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	716.5501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	0.7
55.05502	2.7
57.03421	2.4
57.07065	100.0
58.07409	0.6
58.28934	0.4
59.04990	51.2
63.13114	0.4
67.05485	0.8
69.07051	2.8
71.05299	1.0
71.08617	97.6
72.08942	0.5
73.06556	0.8
75.04505	0.5
78.27917	0.4
81.07044	1.5
83.08607	3.6
84.08149	0.8
85.10168	92.9
86.10489	0.6
87.04447	6.5
87.08107	1.1
89.06014	33.3
89.39895	0.4
91.07605	0.4
95.08600	1.7
96.59822	0.4
97.06509	0.7
97.10148	3.1
99.08060	0.8
99.11718	11.1
100.07575	0.7
101.06007	1.5
101.09647	5.8
103.07574	3.5
105.07018	0.7
107.07048	1.3
107.08597	0.5
111.11709	0.8
115.07536	1.1
117.09110	15.5
119.10661	0.6
125.13222	0.6
126.12851	0.5
130.08614	1.9
131.07028	2.0
133.08582	28.7
134.08907	0.5
135.10181	1.1
141.16348	12.2
145.08510	0.6
145.12228	0.8
145.93536	0.5
147.10109	0.6
148.81760	0.5
155.17870	0.5
158.11784	1.4
159.13817	1.0
175.09613	1.4
175.13313	0.7
177.11191	10.9
181.19427	0.5
184.07228	0.7
191.12730	0.8
192.36037	0.5
199.20537	36.0
213.22034	1.1
219.12300	0.5
221.13788	2.2
227.12744	0.5
239.14861	1.7
240.23157	4.2
257.24710	43.4
258.24994	0.6
265.16422	0.6
271.26212	0.9
283.17371	1.8
297.19183	0.6
309.18826	0.7
315.28900	4.9
327.20059	13.8
331.70703	0.5
367.23029	1.6
385.24234	5.5
425.27457	0.9
443.28107	1.5
501.31635	0.5
699.51538	0.6
716.55048	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	716.5504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	0.5
55.05499	2.1
57.03433	1.5
57.07065	100.0
58.07397	0.6
59.04990	32.6
67.05499	0.6
69.07053	1.7
69.58237	1.6
69.58651	0.8
71.08620	72.0
72.08961	0.4
73.02911	0.4
73.06551	0.7
80.05008	0.4
81.07060	0.6
83.08608	2.3
84.08152	0.4
85.10167	60.9
86.09693	0.8
86.10487	0.5
87.04443	6.5
89.06016	40.4
91.07552	0.6
95.08591	0.9
97.10153	2.6
99.11720	12.5
100.07616	0.3
101.05998	0.8
101.09641	4.0
103.07560	0.9
107.07043	2.0
107.08562	0.4
111.11698	1.1
113.13271	5.1
117.09109	9.5
119.10667	0.4
123.11721	0.4
124.99948	0.5
129.09132	0.4
130.08629	2.5
131.07024	2.0
133.08580	30.1
135.10162	0.8
147.10150	0.8
153.16438	0.4
155.17911	11.2
158.11684	0.7
159.13780	0.7
161.11632	0.4
168.89070	0.4
171.17462	0.3
175.09613	1.9
177.11194	15.9
184.07343	2.6
191.12700	0.5
195.20950	0.3
213.22101	23.8
214.22459	0.4
219.12274	0.6
221.13794	2.6
235.15398	0.4
239.14745	1.5
254.24701	2.9
265.16492	0.9
271.26279	23.5
272.26532	0.9
283.17514	2.2
309.19025	0.6
327.20154	1.7
329.30389	0.6
353.21506	0.6
371.22705	14.6
411.25510	1.6
429.26901	3.5
469.29562	1.3
487.30579	1.1
503.29773	1.1
636.21289	0.4
693.54095	0.4
699.51343	0.5
716.55103	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	716.514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	3.5
57.03426	1.5
57.07065	100.0
59.04703	1.4
59.04990	27.2
67.05482	2.4
69.03407	0.9
69.07037	3.5
70.06555	1.0
70.99487	2.0
71.08617	82.7
72.08952	1.1
73.02499	1.6
73.02903	30.3
73.06532	1.3
79.05450	1.4
81.07034	3.3
83.08590	2.9
85.10166	71.2
86.09700	1.2
86.10484	2.0
87.04444	10.2
87.08038	1.3
89.05474	1.8
89.06011	28.3
93.07031	1.5
95.08604	1.4
95.18443	0.8
97.10146	3.0
99.11710	12.0
101.09618	2.8
103.03919	30.7
103.07566	3.1
105.07008	0.9
107.08578	1.3
109.06528	0.8
109.10145	0.9
111.11659	1.5
113.13264	3.7
117.09113	5.7
129.91057	0.8
130.08598	2.9
131.07028	4.0
133.08574	23.3
133.10092	1.5
136.06166	2.9
141.16344	2.7
147.06474	4.2
147.10149	0.9
150.02556	0.9
151.96378	0.8
155.17915	8.2
161.08090	1.7
162.07698	4.8
163.09642	2.3
175.09630	2.3
177.11176	9.2
184.07278	2.5
191.09093	4.8
191.12735	1.0
199.20496	8.0
201.23262	0.8
201.25723	1.0
205.10677	3.8
206.79660	0.8
207.12219	2.4
210.46632	0.9
213.22072	15.7
219.12244	0.9
221.13824	3.0
227.23723	0.8
229.21603	1.8
235.11754	5.6
239.14737	1.8
249.13257	2.0
254.24709	1.7
257.24701	3.2
271.26254	7.4
279.14291	1.7
283.17371	1.1
323.17047	1.5
327.19940	1.4
341.18219	1.2
371.22504	1.1
411.22308	1.5
415.25287	3.4
429.23193	6.5
443.24524	1.9
487.27371	1.4
519.36188	1.1
582.48175	0.9
630.08685	1.0
716.40900	2.6
716.51202	16.3
717.42194	2.6
749.93292	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.5496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.3
53.03924	1.0
55.05500	6.0
56.04793	0.4
56.05033	4.7
57.03423	0.3
57.07065	3.4
58.06567	0.6
60.04516	2.2
65.03915	0.9
67.05493	10.9
68.05000	1.0
69.03419	1.4
69.07059	7.4
69.33040	0.8
69.33459	1.7
70.06587	2.2
71.04987	0.4
71.08624	1.8
72.04469	0.3
72.43775	0.3
79.05013	0.3
79.05479	10.1
80.04998	2.7
81.03400	0.8
81.05778	1.7
81.07043	10.4
81.07520	0.6
82.06120	0.5
82.06567	6.7
83.04973	0.5
83.08153	0.3
83.08612	4.3
84.08115	0.7
85.02895	2.6
85.10165	0.6
86.06049	0.6
91.05463	7.8
93.05752	0.5
93.07027	9.3
94.06552	17.8
95.04927	1.1
95.06759	0.5
95.07340	9.3
95.08588	8.2
96.07557	0.4
96.08117	5.1
97.02857	1.1
97.06524	0.4
97.10153	2.1
98.20782	0.6
100.07602	0.4
105.07017	5.6
107.08576	5.4
108.08089	2.9
109.10145	3.3
110.09662	0.4
111.08061	0.4
111.11684	0.6
117.07031	0.3
119.08560	5.2
121.08859	0.5
121.10126	6.6
122.09658	2.6
123.11694	1.6
124.11169	0.4
127.03914	0.4
130.08633	0.4
133.10106	3.5
134.09589	0.5
135.10600	0.4
135.11674	3.3
136.11189	1.0
137.13219	0.8
147.11653	1.6
149.13170	1.0
151.14796	0.5
151.16197	0.3
158.41408	0.3
161.13251	1.0
163.14810	0.4
182.18944	0.3
188.13991	0.3
191.18037	0.4
193.19556	0.4
205.19443	0.3
219.21014	0.6
219.51125	0.3
233.22626	3.1
234.22159	0.7
245.22606	4.6
250.25252	7.6
254.24699	1.0
260.23685	0.4
262.25247	100.0
263.23248	0.3
263.25748	3.0
264.26880	0.5
272.25775	4.7
280.26300	6.4
293.81631	0.3
310.27310	0.4
312.25177	0.4
442.31216	0.4
464.97614	0.3
498.46857	0.5
504.47623	5.3
516.47681	35.7
517.48120	1.7
518.49261	5.9
534.48737	23.0
534.55499	0.4
534.60809	0.4
535.48901	1.1
696.42651	0.5
696.53949	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	714.5497
Annotation	Soyacerebroside I
Peak:m/z	Relative Intensity
53.03923	0.8
55.01846	0.4
55.05261	0.4
55.05500	6.5
56.05032	4.5
57.03407	0.4
57.07066	3.4
58.02924	0.3
58.06573	1.2
60.04510	2.1
62.22111	0.3
65.03923	1.0
66.45322	0.3
67.05491	10.5
68.04995	0.8
68.19267	0.2
69.03397	1.1
69.07053	8.0
70.06576	1.9
70.45576	0.4
70.45961	0.5
71.08621	1.7
79.05479	9.6
80.04996	2.7
81.03421	0.5
81.05796	1.4
81.07040	10.5
82.06103	0.5
82.06562	7.0
83.08601	5.1
84.08115	0.7
85.02892	2.9
85.10155	0.8
86.06046	0.4
90.02939	0.3
90.19923	0.3
91.05460	8.1
92.40813	0.3
93.05751	0.3
93.06462	0.6
93.07027	8.5
93.07613	0.4
94.06551	18.4
95.04945	1.1
95.07334	8.1
95.08589	8.7
96.07559	0.4
96.08119	5.8
97.02859	0.9
97.06487	0.4
97.10137	3.1
98.06030	0.4
103.05388	0.3
105.07010	4.2
107.07397	0.4
107.08581	4.9
108.08084	3.4
108.89040	0.3
109.10136	3.1
110.09673	0.4
111.11684	0.5
114.09221	0.4
117.06998	0.3
119.07777	0.5
119.08556	5.4
120.08094	0.3
121.08849	0.4
121.10119	5.3
122.09647	2.3
123.11688	1.5
124.11198	0.7
127.03848	0.5
133.10104	4.1
134.09647	0.4
135.10405	1.1
135.11656	3.2
136.11172	0.7
137.13222	0.8
145.04913	0.3
147.11656	1.5
149.13199	1.2
151.14781	0.6
161.13327	0.6
163.14818	0.4
182.19028	0.4
193.19531	0.4
219.21106	0.6
233.22633	2.5
234.22147	0.6
245.22591	5.1
250.25252	7.7
254.24693	1.3
260.23608	0.7
262.25241	100.0
263.23193	0.5
263.25745	2.0
264.26752	0.8
272.25821	4.9
280.26288	7.2
310.27246	0.4
368.31265	0.6
380.27161	0.3
442.31641	0.4
504.47672	5.7
504.54416	0.2
516.47662	33.7
517.48090	1.9
518.49243	5.2
534.48718	20.4
534.55627	0.2
535.48956	0.7
696.42700	0.5
696.53949	7.8
697.53522	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.4771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.0
55.01867	5.5
55.05498	26.5
57.03431	19.8
57.07056	13.0
61.02895	4.0
64.09373	3.6
65.03950	3.9
65.46783	3.5
67.05492	75.4
69.03400	4.3
69.07062	24.9
69.08003	3.4
71.08598	4.6
71.14687	10.0
72.38806	3.2
79.05479	47.0
81.06577	5.9
81.07043	92.9
82.11118	3.9
83.08588	13.2
85.06523	6.1
85.10149	3.6
87.04478	4.9
91.05452	30.7
93.07026	54.0
95.04975	6.6
95.08586	54.9
97.02821	3.8
97.06516	5.7
97.10159	8.3
103.40611	4.2
105.07013	43.6
107.08566	36.2
107.73596	3.7
109.06499	5.0
109.10120	29.0
111.08090	5.1
117.06998	8.0
119.08559	34.8
121.10152	24.2
123.11700	8.1
130.08575	4.4
131.08522	15.6
133.10158	20.1
135.11652	12.1
137.09552	5.1
143.08548	7.7
145.10063	14.8
147.11664	23.2
149.13181	10.5
157.10112	5.8
159.11655	11.5
161.13248	11.2
163.14853	4.8
165.12657	13.7
171.11574	8.3
173.11794	7.0
173.13211	9.0
177.05408	8.5
184.07240	7.5
185.13159	5.9
187.14795	6.3
194.26630	3.4
201.07695	3.5
201.16379	4.1
213.14792	4.3
213.18454	4.6
215.14215	4.6
229.14333	34.7
239.16374	16.5
241.17882	8.3
259.20535	8.0
261.22009	5.7
262.25183	4.8
291.71179	3.6
333.24136	5.1
335.25742	54.5
367.50513	5.6
407.32993	5.8
425.34070	15.9
443.34940	4.3
489.35861	18.3
499.37766	35.6
500.37308	4.6
513.87482	3.9
517.38757	100.0
518.38837	11.1
599.50146	9.6
684.55414	4.3
685.71063	5.1
714.48303	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	713.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26949	0.4
64.59976	0.4
67.05444	1.5
68.97397	0.4
69.03381	0.8
69.07037	0.6
70.06585	4.7
71.54078	0.5
71.54425	0.5
72.08115	0.8
79.05431	1.0
80.07206	0.5
81.06995	0.8
84.08117	1.2
85.02839	0.8
86.09655	1.2
91.05460	2.5
93.07008	3.4
94.06511	1.5
94.30947	0.5
95.04916	1.7
95.08575	0.7
100.07578	0.7
101.30684	0.5
104.44375	0.5
105.06960	1.0
107.04906	0.5
107.08538	0.7
108.08060	1.6
109.02835	0.6
109.10088	0.7
110.06000	0.6
111.08011	2.2
117.07001	0.7
119.08526	0.5
120.08090	1.3
121.06482	1.3
122.05990	2.5
123.08087	0.6
124.07530	1.2
126.09093	0.5
127.03825	0.7
129.10182	0.5
130.08574	0.7
132.07979	0.6
133.06467	0.5
133.10023	0.7
134.09624	2.4
135.08067	1.0
136.07552	4.6
137.05925	2.0
138.05464	1.2
138.09137	1.0
140.07037	3.9
144.04430	0.6
144.07985	0.5
146.05954	1.6
146.09456	0.4
147.04372	0.6
148.07518	1.3
148.21233	0.4
150.09068	1.1
152.07036	6.2
152.10603	2.0
152.60022	0.4
154.04832	0.5
154.08571	1.3
156.07896	0.5
158.78096	0.4
162.05429	0.7
162.07813	1.0
162.09117	17.9
163.07471	1.1
164.06987	1.4
165.05406	0.5
166.08560	2.2
167.06999	0.9
168.10133	3.5
172.03944	3.2
172.07462	0.8
174.05440	0.8
176.07014	0.6
177.05374	0.7
178.08559	1.0
180.10161	14.4
181.05003	0.5
182.08092	5.3
182.09595	0.8
186.09067	1.0
187.08522	0.5
188.07103	0.7
190.08640	2.7
192.06451	0.6
194.08076	7.5
197.06987	0.5
198.07721	0.7
199.08582	1.8
200.07108	0.8
200.09206	1.8
201.10275	0.8
203.11926	0.6
204.06538	4.6
204.10117	1.5
206.08006	1.6
208.09650	30.0
209.10194	0.6
211.08688	1.3
212.07185	0.6
212.09146	6.9
213.06494	1.4
213.10170	2.9
214.07208	1.1
215.08127	3.1
216.06641	0.5
218.08073	2.2
225.06566	1.6
226.07195	0.7
227.08089	3.1
227.11607	0.6
228.08881	2.0
229.09659	6.0
230.08066	1.9
230.10428	1.4
232.09607	0.6
234.07535	0.8
237.10251	0.7
239.08072	3.0
240.08783	1.1
241.09668	1.5
242.06700	0.9
243.07640	3.3
243.11224	3.7
248.09096	1.5
249.09998	0.7
250.10664	3.1
253.09673	1.6
255.07599	3.3
255.11237	1.6
256.08392	1.4
257.09143	9.0
258.07553	0.8
258.09937	5.3
259.10693	1.1
261.12323	1.3
265.09659	1.9
267.07642	2.0
267.11237	1.5
269.09186	2.0
271.10733	3.7
272.11511	1.4
273.08633	1.8
273.12268	4.6
274.09467	0.7
276.08600	4.8
280.08380	0.8
281.09106	2.1
283.07178	0.9
283.10657	2.0
285.08682	8.4
285.11975	1.1
287.10175	1.8
289.11813	8.7
293.09082	1.6
295.10696	1.2
297.12195	0.6
299.10263	4.8
301.08215	0.9
301.11813	2.1
302.08914	3.1
303.04831	0.7
303.13339	0.6
307.07068	0.5
311.10129	1.6
313.11719	1.7
315.09695	3.5
315.13275	1.2
316.10440	8.5
317.11261	90.7
318.11664	1.9
319.12720	1.7
321.08517	0.6
325.11603	0.6
327.09601	1.3
329.11267	1.6
333.14374	1.5
337.13876	1.0
339.09686	1.2
339.13379	0.7
341.11273	1.6
343.12772	1.9
345.14371	2.7
349.14072	1.4
355.12888	3.4
356.13919	0.7
358.15833	0.7
366.12323	0.6
367.12750	1.4
369.10837	2.2
371.12491	2.2
373.14282	0.7
383.12314	5.3
385.14044	1.1
386.15115	1.5
404.15976	0.7
414.14514	1.4
428.16406	0.6
446.17047	1.1
456.15408	0.8
464.17963	1.2
474.16589	5.4
482.19235	0.7
488.18378	0.7
491.16846	0.5
492.17630	2.1
506.19250	4.0
524.20203	100.0
525.20465	4.6
542.21277	14.8
556.22815	68.1
557.22876	3.1
631.24097	1.8
645.25787	0.6
649.25018	1.3
663.26343	1.1
681.26929	0.6
713.25336	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39267	0.4
52.60847	0.4
53.03896	0.7
53.72680	0.4
55.01828	0.6
55.05498	0.6
56.05010	0.9
67.05467	0.7
69.03389	0.5
69.07041	0.7
70.06586	3.4
70.15115	2.2
72.08096	1.4
76.85462	0.4
77.26888	0.4
79.05446	1.0
81.03384	0.4
81.06996	0.5
84.04461	1.1
84.08089	1.3
85.02856	1.0
85.18739	0.4
86.09645	1.2
87.04392	0.6
89.05982	0.4
91.05462	3.0
93.07010	3.6
94.06538	1.2
95.04924	0.9
95.08546	0.5
97.02858	1.0
105.06983	0.6
106.06497	0.6
107.08553	0.6
108.04441	0.5
108.08047	1.9
109.06495	0.8
109.84800	0.4
110.06024	0.6
110.07106	0.8
111.08044	2.4
115.72711	0.4
117.07000	0.5
119.04850	0.6
120.08065	1.1
121.06441	1.7
122.05949	1.5
124.07517	0.6
126.05495	0.5
127.03827	0.5
129.10194	0.9
132.08017	0.7
133.05089	0.5
134.05965	0.4
134.09602	1.9
135.07974	1.5
136.07545	4.6
137.05922	1.2
138.05376	0.6
138.09073	1.8
140.07013	1.1
142.74080	0.5
143.35747	0.4
144.08040	0.6
145.06392	0.5
148.07487	1.0
150.09070	0.9
152.07005	1.7
152.10651	1.9
154.08546	1.0
160.07500	1.4
162.05450	0.8
162.09113	16.3
163.07468	1.6
164.07030	0.7
166.08620	2.5
167.06992	0.5
168.10146	3.3
172.07430	0.6
176.07019	0.5
177.05389	0.4
178.08667	0.7
180.10159	14.0
182.08122	1.3
182.45828	0.5
186.09084	0.6
190.08548	2.9
192.06474	0.5
192.10104	0.6
194.08058	2.7
199.08603	1.4
200.07259	0.4
200.09399	1.3
201.10217	1.1
204.06479	0.9
204.10135	1.0
206.04489	0.8
207.06499	0.7
208.09637	31.8
209.10048	0.8
211.08612	1.6
212.09154	1.7
213.06543	1.0
213.10165	1.4
214.07269	1.3
215.08148	2.9
215.11674	0.6
216.08794	0.6
218.08020	1.4
225.06543	1.2
225.10266	0.6
227.08057	2.6
227.11687	0.5
228.08849	1.3
229.09654	3.3
230.08087	1.1
230.10268	0.6
232.09547	0.9
234.07664	0.9
237.10155	0.8
238.11064	0.5
239.08006	2.2
240.08850	0.8
241.09630	2.0
242.06819	0.6
242.10532	0.8
243.07593	2.7
243.11322	2.5
245.12880	0.5
248.09142	1.1
249.09904	0.8
250.10713	2.6
251.08051	0.7
253.09653	1.3
254.53862	0.5
255.07617	2.4
255.11179	0.8
256.08340	0.8
257.09128	7.0
258.09967	2.8
259.10342	0.6
263.07913	0.5
265.09631	1.7
266.10428	0.6
267.07715	1.6
267.11255	1.7
269.09146	1.2
271.10712	3.2
273.09143	0.6
273.12210	2.9
274.09427	0.9
276.08667	4.5
279.07626	1.3
279.11295	0.7
280.08347	1.1
281.09183	2.1
283.07327	0.6
283.10648	1.6
285.08646	4.6
285.12262	1.8
287.10098	0.9
289.11795	7.9
293.09250	2.3
295.10724	1.2
297.08859	0.6
297.12045	0.8
299.10306	4.5
301.11765	0.5
302.08911	2.0
303.04944	1.5
303.13324	1.5
304.05371	0.5
307.07031	0.6
307.10696	0.7
309.08423	0.8
311.10159	2.7
313.11768	1.5
315.09808	2.3
315.13156	0.8
316.10474	5.8
317.11255	74.6
318.11575	0.8
325.11804	1.3
327.09589	0.9
329.11249	1.8
335.12262	1.3
337.11536	0.7
339.09735	1.2
341.11258	1.4
343.12912	1.9
346.15387	0.5
349.13937	5.1
351.09781	0.6
353.11218	0.7
355.12787	2.0
358.15634	0.6
361.14151	0.6
368.09937	0.5
369.10873	1.6
370.11465	0.5
371.12674	1.2
381.10757	0.8
383.12357	3.3
385.13882	1.2
386.14999	2.2
401.13470	0.5
414.14294	2.9
424.14703	0.5
430.17548	0.9
432.15417	0.9
446.17126	1.1
456.15439	1.5
464.18539	0.5
474.16537	7.4
478.19608	1.3
480.21439	0.6
492.17487	4.1
498.21902	0.8
506.19101	5.5
524.20190	100.0
525.20508	2.6
538.21722	1.9
542.21283	6.8
556.22778	61.4
557.22913	2.2
631.24048	3.4
645.25354	0.8
649.24969	0.8
663.26691	2.3
681.26801	0.8
713.33984	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.8
55.05487	1.3
57.03422	0.6
63.42715	0.5
63.53574	0.7
65.03911	2.0
67.01821	0.8
67.05484	3.0
68.05000	0.8
69.03428	0.7
69.07047	1.9
69.50029	4.7
70.06586	3.3
70.06908	0.6
71.04974	1.1
72.08149	1.2
79.05460	1.2
80.04989	2.7
81.07031	1.0
83.04957	0.7
84.04476	0.9
84.08115	2.6
85.02882	1.6
86.09712	0.9
91.05462	1.5
93.07035	1.5
94.02921	1.2
94.06572	3.1
95.04947	3.0
95.08576	1.1
97.06516	1.2
98.20700	0.5
105.07016	1.7
106.06546	0.6
107.08614	0.9
108.04469	5.4
108.08075	1.1
109.06474	1.0
109.10110	0.7
110.06033	2.4
111.04391	0.7
111.08009	0.7
118.94006	0.6
119.08542	0.8
120.08089	1.3
122.06017	5.7
123.04404	0.9
124.07549	1.7
126.05492	1.8
130.06520	1.5
130.08606	2.2
132.08089	1.9
133.10106	0.8
134.05928	0.8
134.09601	0.9
135.11702	0.6
136.03940	1.5
136.07562	2.1
137.05934	1.3
138.05486	11.0
140.07033	3.7
140.49593	0.7
144.08041	1.8
145.10091	1.3
146.05963	0.6
147.04384	0.9
148.07523	1.1
150.05420	0.8
150.09109	1.4
151.07587	0.7
152.06998	1.2
154.04967	71.1
154.08591	2.3
155.05302	0.9
158.05980	10.2
160.07541	8.3
162.05489	0.9
164.07039	0.8
166.08572	1.3
172.07597	3.0
174.09056	1.7
176.07001	1.9
177.05476	1.3
178.08722	1.1
189.10233	1.3
190.04924	1.2
190.08580	3.3
192.10168	1.6
198.05544	0.7
200.07007	2.6
202.08569	3.8
204.06522	2.6
204.10222	1.1
207.11316	2.0
214.08456	0.7
215.04483	2.3
216.06546	1.2
218.08089	35.0
219.08667	2.0
220.09598	1.3
222.09108	2.0
222.11208	1.5
225.10252	0.9
229.09732	1.3
230.08095	2.3
232.09581	0.8
236.08971	4.6
237.10144	1.8
238.10948	1.5
239.11743	0.9
240.10184	0.7
244.06012	3.3
245.09145	1.6
246.07629	6.2
247.10785	2.4
250.08511	1.0
250.10732	21.4
251.08604	0.6
251.11792	2.4
253.09776	1.0
253.13249	0.9
257.09137	1.2
258.07614	1.3
262.06955	1.4
263.07849	5.3
264.08377	4.8
265.09711	9.9
266.10455	1.1
267.11356	1.7
270.09775	1.4
273.08609	2.3
275.10178	1.8
276.08731	2.7
277.09686	1.2
279.07635	2.0
279.11215	4.6
280.08569	2.2
281.09122	1.4
281.12613	1.3
282.10828	0.7
283.10675	1.4
285.12384	1.4
286.09583	1.4
287.13806	1.0
289.09509	0.8
291.09705	4.9
292.09512	0.8
292.22476	0.8
293.09030	29.5
294.09863	2.7
295.10712	1.3
295.14328	0.7
297.08939	1.2
297.12317	4.0
303.09692	1.1
307.10236	5.2
309.12402	1.4
310.10248	1.9
311.10278	1.7
311.13959	2.0
315.13284	3.8
321.12231	5.4
323.10114	0.9
325.08215	1.0
325.11655	7.8
326.12601	1.0
327.09702	1.0
327.13284	2.9
335.10318	2.8
337.08105	1.5
337.11804	6.0
338.08923	15.9
338.12778	1.4
339.09778	1.3
339.13333	13.6
350.10080	1.1
351.09741	2.0
353.11258	100.0
354.11804	5.3
355.12808	19.2
356.13223	1.4
357.14380	4.3
365.11227	3.5
369.14352	4.1
371.11984	4.5
371.16113	2.8
375.15445	3.4
385.13882	51.6
386.14282	1.1
389.17221	1.1
401.13284	1.5
407.18109	1.0
432.15421	1.5
433.15994	1.6
456.15326	4.3
466.19757	0.8
474.16513	12.3
476.17856	2.5
488.18063	2.1
492.17526	12.6
494.19223	4.1
506.19153	6.4
508.20331	2.0
510.18661	48.9
511.18707	1.4
524.20203	35.1
528.19659	0.8
542.21216	26.7
543.21246	1.0
556.22906	12.2
595.21490	0.8
613.22766	8.2
627.24493	2.0
631.23956	5.6
645.25598	5.1
649.24988	13.8
663.26062	3.9
664.25684	0.8
681.27478	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	712.5346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11762	0.5
53.03927	1.2
55.01137	0.6
55.01852	0.8
55.05499	5.1
56.05031	3.3
57.07059	3.9
58.06566	0.8
60.04502	1.4
65.03918	1.2
67.05494	14.8
68.05013	1.3
69.03400	2.0
69.07060	5.9
69.39488	2.3
69.39920	2.7
70.06566	1.2
71.08631	2.9
79.05482	10.7
80.04991	2.6
81.03383	0.6
81.07053	12.7
82.06567	7.6
83.08607	4.7
85.02880	2.6
85.10133	0.6
91.05469	16.5
93.05751	1.1
93.06454	1.0
93.07027	11.7
94.03680	0.7
94.06560	19.8
95.04932	2.4
95.07333	5.0
95.08597	12.3
95.22104	0.5
96.08124	3.2
97.02849	1.0
97.06482	0.8
97.10139	2.2
98.21482	1.1
105.07015	12.3
106.06551	3.9
107.07286	1.0
107.08562	5.5
108.08109	9.2
109.10134	4.4
111.08044	0.9
112.98133	0.7
115.05431	0.7
116.06206	0.8
117.07003	7.7
119.08566	11.9
120.08085	3.2
120.08817	0.5
121.08860	1.2
121.10131	4.9
122.09657	5.9
123.11670	1.6
127.03909	0.6
131.08556	9.4
132.08075	2.8
133.08855	1.9
133.10100	6.5
134.09612	6.5
135.11659	2.2
136.11201	0.7
137.13258	1.2
145.10114	4.5
146.09596	2.4
147.10388	3.2
147.11646	2.5
148.11159	4.6
149.13197	1.0
159.11658	2.4
161.13252	1.8
162.12746	1.1
163.14760	1.1
173.13251	2.5
175.14703	0.9
189.16391	1.0
201.16460	0.6
203.17955	1.3
204.07695	0.6
217.19473	0.7
231.21014	8.5
232.20651	1.0
243.21027	9.2
245.22693	0.8
246.22084	0.7
247.20540	0.7
248.23686	8.5
254.24844	1.0
260.23697	100.0
261.21759	0.9
261.24054	2.3
266.41306	0.6
272.25864	4.7
278.24734	8.6
312.25214	1.0
438.09485	0.5
502.46109	4.8
514.46167	13.3
515.46332	1.1
516.47656	5.3
532.47205	35.1
533.47443	2.0
597.48956	6.9
612.65973	0.6
653.00543	0.7
672.14099	0.7
694.52368	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	707.375
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07060	0.7
65.75194	0.5
67.05502	0.8
69.03403	0.6
69.27295	5.7
79.05489	1.2
81.03397	0.5
81.07025	1.4
85.02911	0.6
87.04433	2.6
89.06038	0.8
91.05482	1.1
93.07018	0.8
95.08610	0.9
105.07024	0.8
133.08611	0.6
133.10039	0.5
133.13986	0.5
166.39633	0.5
184.07379	0.9
193.99686	0.5
264.02789	0.7
332.46448	0.6
474.60880	0.5
535.26379	0.8
542.26031	0.6
707.37494	100.0
707.47467	3.7
708.37866	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	708.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.2
55.01856	1.8
55.05492	1.3
57.03437	2.1
59.04991	18.8
61.02915	1.3
65.03921	0.6
67.05486	1.1
68.99771	0.7
69.03413	6.5
69.07045	1.3
70.06580	6.0
71.01355	0.8
71.04982	1.6
71.53590	0.8
72.08144	1.9
73.02892	2.8
73.06546	1.3
79.05473	1.1
81.03407	7.8
81.07037	1.9
82.06559	0.5
83.04948	0.9
84.04491	1.2
84.08121	2.8
85.02886	14.0
85.06527	0.7
86.03216	0.4
86.06071	1.0
86.09684	2.6
87.00810	4.3
87.04451	8.3
88.02196	0.4
88.04007	0.6
89.06012	100.0
90.06393	1.0
91.03932	0.5
91.05454	2.7
91.07571	0.5
93.07043	1.9
94.07395	0.4
95.01328	0.5
95.04939	1.9
95.08587	1.1
97.02875	4.5
97.06542	0.7
98.05997	0.5
99.04437	2.5
100.07584	0.8
101.06010	4.2
103.05433	1.1
103.07554	3.3
105.01853	2.5
105.07012	3.2
106.07328	0.8
107.04945	1.0
107.07042	4.3
107.08575	1.5
109.02855	5.6
109.06494	0.9
109.10165	0.5
110.07138	1.4
113.05997	0.6
115.03892	0.9
116.07030	0.5
116.10717	0.4
117.01816	0.8
117.06995	0.6
117.09121	2.1
119.04914	1.4
119.08559	1.0
120.08098	1.4
121.06483	1.3
121.10166	0.5
122.06052	0.5
122.09643	0.6
123.04414	1.5
123.08057	0.5
124.07603	0.6
125.05964	0.6
126.05482	0.7
127.03887	8.2
127.04800	0.6
129.01814	1.1
129.10237	0.6
130.08589	3.0
131.04861	1.0
131.07021	1.8
131.08537	0.8
133.02861	0.6
133.06467	1.6
133.08575	59.4
133.10187	1.5
134.08952	1.0
134.10429	0.7
135.04379	0.5
135.07991	0.5
135.11726	0.5
135.26451	0.4
136.07539	1.2
137.05920	5.2
138.05438	0.7
141.01781	0.7
142.08612	0.5
143.07016	0.6
145.02844	0.6
145.04938	2.2
145.06123	0.6
145.08620	0.7
145.10091	0.8
146.05972	0.6
146.08083	0.4
147.04388	1.3
147.08029	0.5
147.10139	1.3
147.11560	0.5
149.05974	1.1
151.03865	0.7
151.07527	1.1
151.09637	0.8
152.07101	0.5
153.05446	0.6
159.02881	2.8
161.05983	2.0
161.09604	2.2
161.11754	1.5
162.07643	0.8
162.09918	0.5
163.07535	1.0
163.11139	1.3
165.08989	0.6
167.07027	2.5
175.03934	0.5
175.07536	0.7
175.09679	1.4
177.05396	2.1
177.11188	20.7
179.07019	1.4
180.06551	1.0
181.04851	0.6
181.08569	1.4
183.06467	0.8
188.07036	0.5
189.09106	1.8
191.07066	0.6
191.12767	1.3
193.03192	0.8
193.08530	0.8
195.12154	0.8
206.04314	0.8
207.06549	1.4
207.10165	1.1
209.08070	0.9
213.03807	0.8
219.10172	0.7
221.13792	5.6
231.04884	0.5
239.14761	4.5
245.09406	0.6
246.45587	0.5
249.11230	1.3
250.11633	0.5
257.94626	0.5
265.16483	0.7
279.18057	0.6
283.14700	0.5
283.17517	5.2
284.05911	0.8
287.10294	0.7
297.11038	0.4
300.08948	0.5
303.04950	0.7
309.19009	0.8
327.20068	57.6
328.08450	0.5
328.20468	2.1
357.13138	0.7
359.14771	0.7
367.23099	0.9
385.24231	28.1
386.24606	1.3
443.28415	41.5
444.28790	1.8
493.17944	0.5
497.29453	1.3
630.01807	0.5
708.24231	1.2
708.35620	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	707.375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.0
57.07042	0.8
59.04916	0.6
63.35712	0.7
63.67254	0.6
67.05479	1.8
69.86382	1.9
69.86797	1.6
81.03402	0.9
81.07036	1.3
83.08599	1.1
87.04438	3.1
87.37926	0.7
91.05449	1.0
93.07027	1.0
95.04952	0.6
95.08596	1.2
97.02829	0.6
105.07030	0.8
119.08565	0.7
125.09602	0.9
130.08669	0.7
147.11685	1.2
184.07356	1.7
185.13261	0.6
223.13222	1.5
263.04343	0.7
346.92859	0.6
707.37518	100.0
707.47723	4.5
708.37933	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	704.514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	0.6
53.03923	0.5
55.05502	1.9
57.07064	43.0
58.07401	0.6
59.04989	17.1
67.05499	2.0
69.03429	0.7
69.07040	2.7
70.83517	0.7
70.83858	1.0
71.08617	78.7
72.08963	0.8
73.02892	1.4
73.06538	4.9
79.05466	1.3
81.07008	2.3
83.08602	1.5
85.09736	0.7
85.10164	41.4
87.04453	17.2
89.06012	100.0
90.06335	1.2
91.05470	1.4
91.07612	0.8
93.07041	1.9
95.04956	0.6
95.08590	1.4
97.10133	1.0
100.07597	0.5
103.07555	7.2
105.07017	1.7
107.07047	4.6
107.08594	0.9
107.84349	0.5
109.10124	0.8
113.05972	1.0
117.09130	5.4
119.08524	1.2
127.14799	5.1
130.08607	5.7
131.07019	6.9
131.08490	0.6
133.08575	84.2
134.08904	1.1
135.10112	0.8
141.16367	1.0
146.08076	1.8
147.11630	0.6
151.09628	0.9
153.42245	0.5
161.11699	1.6
175.09621	6.3
175.13254	0.5
176.35716	0.5
177.11183	37.3
178.11537	0.8
179.12869	0.5
185.18980	7.3
186.19383	0.7
195.12236	0.7
219.12134	2.4
221.13788	7.1
222.14043	0.5
223.15402	0.8
225.77962	0.4
229.21599	6.6
237.13332	0.5
239.14861	2.5
265.16428	1.6
273.24231	0.6
283.17468	3.8
309.19046	1.9
325.91449	0.6
327.20081	2.2
353.21500	1.8
359.60709	0.6
371.22717	1.2
397.24301	1.1
415.25293	1.5
441.26688	0.5
444.97302	0.5
459.27783	2.0
484.23434	0.5
485.29330	0.7
503.30527	13.1
519.13123	0.6
543.33826	1.9
564.88739	0.7
672.27405	3.9
673.27032	0.8
687.48676	2.8
704.29156	1.3
704.51331	11.3
705.40613	1.2
705.51776	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.2
55.01860	2.0
55.05503	13.1
56.05024	0.4
57.03423	2.6
57.07064	12.4
59.04988	5.4
61.02911	1.5
65.03939	0.4
67.05489	6.9
69.03417	7.7
69.07056	100.0
70.06572	3.3
70.07383	1.2
71.01340	0.6
71.04975	4.0
71.08606	0.7
72.04438	0.4
72.08150	1.4
73.02894	2.0
73.06524	0.7
76.39849	0.4
79.05495	2.1
81.03403	7.0
81.07042	8.9
82.06572	0.6
83.04975	1.5
83.08604	36.5
84.04488	1.6
84.08123	1.9
84.08939	0.5
85.02889	15.6
85.06522	2.0
86.06062	0.5
86.09716	1.8
87.00810	5.0
87.04451	3.4
89.06014	42.7
91.05467	2.9
91.79781	0.4
93.07028	4.7
95.04950	2.2
95.08588	7.5
97.02872	5.9
97.06525	1.3
97.10162	1.3
98.20659	0.5
99.04418	3.4
99.08087	2.1
103.03938	0.8
103.05420	0.6
103.07561	1.3
105.01837	3.7
105.03397	1.6
105.06996	2.3
107.04974	0.6
107.07066	1.8
107.08579	2.6
109.02863	6.7
109.06508	1.0
109.10136	7.1
111.04435	1.1
111.08083	0.8
111.11753	0.5
113.05965	0.6
113.09660	0.8
115.03951	0.9
115.94172	0.4
116.07075	0.5
117.01833	0.6
117.06993	0.7
119.04966	0.6
119.08551	3.6
120.08125	0.6
121.06479	1.1
121.10123	2.9
123.08061	0.7
123.11681	2.7
124.07576	0.4
125.06018	0.6
125.09612	0.7
125.13241	9.0
126.05553	0.7
127.03899	8.0
129.01845	0.5
130.08624	1.7
131.04939	0.5
131.07030	1.2
131.08548	0.8
133.08580	46.1
133.10178	1.7
134.08943	0.5
135.08037	0.7
135.11664	0.6
137.05956	1.7
137.09595	2.3
137.13255	0.8
138.05519	0.9
139.07536	0.6
139.11205	0.6
141.12738	1.3
143.14278	2.0
144.06497	0.7
145.04918	2.8
145.10101	1.4
147.04335	0.8
147.08058	0.7
147.11626	1.0
149.05931	0.6
149.09596	0.9
151.03920	0.6
151.07599	0.6
151.09679	0.9
151.11087	0.5
153.05450	0.6
153.06955	0.4
157.10149	1.1
159.02852	2.4
159.08078	0.5
159.11699	1.1
161.09612	1.1
161.13219	0.7
161.15419	0.4
162.07593	6.6
163.11101	0.6
165.09120	1.4
165.12778	0.4
165.16435	1.4
167.07019	1.2
168.06534	0.5
169.15765	0.7
173.09555	0.6
173.13275	0.9
175.09637	1.1
177.05460	0.9
177.11198	9.5
177.12688	1.0
179.07030	2.4
179.10587	0.5
183.11493	0.5
183.17371	2.3
187.11182	0.7
187.14706	0.7
193.08609	0.4
195.12259	1.0
199.14752	0.5
206.04515	1.4
207.06488	0.5
213.16391	0.5
221.13782	8.7
221.15750	0.7
227.19972	2.6
231.05043	1.3
239.14841	26.6
240.15430	0.6
245.21114	1.0
249.06021	0.5
253.16382	0.8
279.17947	4.7
280.18338	0.4
283.17444	0.8
289.09265	0.5
294.11703	1.3
297.19028	10.6
311.14664	0.5
349.92242	0.5
363.27426	0.7
421.31525	65.8
422.31964	3.0
439.32608	23.7
440.32880	1.7
542.33051	0.6
610.80450	0.5
704.40155	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	703.4934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.1
57.03426	3.3
57.07065	100.0
58.04210	8.5
59.04990	36.9
59.05294	1.6
61.02905	0.9
67.05500	2.3
69.07047	4.5
69.24117	2.6
69.24545	4.4
71.04977	1.4
71.08619	73.3
72.05763	10.8
73.02904	5.1
73.06544	14.6
75.04494	1.1
81.07063	2.4
82.07814	1.6
83.08626	3.0
85.06553	1.3
85.10166	59.3
86.07330	2.8
87.04451	16.1
87.08097	3.5
88.05241	2.6
88.07613	1.2
89.06019	18.6
90.01345	1.1
90.01897	29.3
95.08613	1.3
96.09377	1.2
97.10144	4.2
98.07327	0.7
99.08099	1.0
99.11716	10.5
100.07592	1.3
100.08900	1.8
101.06020	3.7
101.09647	1.4
102.05554	1.4
102.06804	1.3
103.07559	8.9
107.07065	1.0
109.10172	1.2
111.11703	1.4
113.13287	2.7
115.07578	1.7
116.08356	2.6
117.09119	19.2
129.09082	0.9
130.08647	1.1
131.07054	2.4
131.10677	1.1
133.08583	9.2
135.10217	1.0
136.09715	0.9
146.08063	4.3
147.10117	3.3
149.11722	0.9
150.30830	0.7
152.15642	2.5
155.17929	8.5
161.11725	4.5
165.11244	1.3
175.09714	1.1
175.13284	0.9
177.11220	3.5
178.07034	4.8
179.12843	1.9
180.12318	1.1
183.17496	2.7
193.14365	1.4
194.13867	1.1
199.20763	0.9
205.14362	1.0
208.15366	4.3
209.13931	0.9
212.21413	1.9
213.22104	12.5
221.13750	0.8
222.09662	7.9
222.17033	3.4
223.13457	0.8
223.15486	3.0
224.14996	1.3
235.15431	0.8
237.17043	1.5
241.15099	0.9
241.21652	1.2
252.18060	4.1
253.16574	1.1
254.24712	1.0
266.12448	2.2
266.19525	4.7
267.18121	1.4
268.17609	2.0
270.25586	1.3
271.16348	1.1
271.26233	5.3
280.21368	1.3
282.19174	1.9
283.17798	0.7
285.17938	2.1
296.20605	5.8
299.19550	0.9
310.22086	6.0
312.20148	1.2
324.23941	1.9
326.21719	5.3
338.25381	0.8
340.23419	3.0
356.22952	2.0
368.26544	2.3
376.34280	2.7
384.26141	1.0
392.33945	1.0
412.38931	0.7
414.27005	0.9
416.21255	4.3
420.36810	5.8
434.99506	0.9
436.36621	1.4
439.35141	1.1
464.39349	7.4
480.39102	0.9
483.38037	0.9
508.42365	1.9
524.41687	1.8
552.44702	15.6
552.53168	1.0
568.44000	1.5
574.48883	0.8
596.47687	2.4
612.46631	3.5
635.55804	0.8
654.08466	0.8
703.49384	9.8
710.39746	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00283	1.1
55.05507	2.7
57.03428	2.3
57.07067	100.0
58.07421	0.9
58.57228	0.6
59.04992	41.6
59.23795	0.6
61.97491	0.7
67.05504	1.0
68.50059	0.7
69.07066	2.6
69.24262	6.7
71.08621	76.4
81.07066	1.9
83.08611	3.8
84.08147	2.6
85.10171	62.6
86.10525	1.1
87.04462	3.9
89.06020	18.9
93.07049	0.7
95.08589	1.3
97.06506	0.9
97.10161	3.8
98.21464	1.3
99.08099	0.8
99.11711	14.0
99.12297	0.9
101.06025	1.4
101.09646	4.4
103.07574	1.2
107.07127	0.7
111.11709	1.1
113.13257	5.2
115.07584	0.9
117.09111	15.2
117.09892	0.9
130.08611	4.9
131.07039	1.1
133.08580	14.6
135.10139	0.8
147.10283	0.7
155.17921	13.0
158.11891	2.1
159.13782	0.9
175.13304	1.0
177.11279	2.9
191.12665	0.7
209.60344	0.7
213.22095	23.9
221.13887	1.0
239.14894	6.0
244.91270	0.7
254.24731	3.4
264.14862	0.6
271.26276	29.7
297.19049	3.6
302.40982	0.7
329.27173	0.8
329.30231	3.7
355.23392	1.7
471.30484	0.7
571.47156	1.3
700.56067	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	702.5345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00305	0.4
55.05502	1.6
57.03434	0.4
57.07066	100.0
58.07410	0.9
59.04993	23.2
67.05483	0.4
69.07057	2.2
69.71017	1.0
69.71439	1.6
71.08619	71.9
72.08955	0.4
73.06541	1.6
81.07046	0.4
83.08620	1.8
84.81111	0.4
85.10168	61.4
87.04455	9.4
89.06017	59.1
90.06352	0.6
91.07590	0.5
97.10152	2.5
99.11717	13.1
101.09623	1.9
103.07562	1.2
107.07036	1.5
111.11684	0.8
113.13258	4.1
117.09129	5.3
130.08582	1.5
131.07025	4.0
133.08580	48.0
135.10170	0.7
136.06143	0.7
147.10123	0.8
155.17921	11.0
161.11652	0.6
175.09618	2.8
177.11194	20.7
178.11537	0.4
179.09299	0.4
191.12679	0.5
213.22095	20.5
214.22386	0.4
219.12231	1.3
221.13771	5.4
223.15369	0.6
239.14809	0.9
254.24699	1.4
265.16379	0.8
271.26266	8.9
283.17392	1.8
309.18832	0.7
318.50510	0.4
327.20090	2.0
353.21417	1.2
371.22745	2.1
397.23990	1.5
415.20255	0.7
415.25308	14.2
416.25357	0.8
455.28442	3.2
473.29550	2.8
503.30331	0.8
513.32568	0.6
685.49994	1.7
702.53766	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	702.5348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39895	0.5
53.00283	0.5
55.05500	2.9
57.03427	1.8
57.07066	100.0
58.07402	1.2
59.04991	43.8
67.05489	1.2
69.07050	2.8
71.08621	99.8
72.08958	1.2
73.02876	0.6
73.06546	1.5
81.07029	0.9
83.08612	4.0
85.10170	93.3
86.10480	0.8
87.04465	8.2
87.08086	1.7
89.06017	59.0
91.07606	0.7
97.10146	2.4
99.08076	0.7
99.11711	11.5
100.07607	0.8
101.06008	1.5
101.09642	5.9
103.07557	2.9
107.07040	2.7
111.11685	0.8
117.09113	12.2
130.08624	3.2
131.07042	3.0
131.10652	0.5
132.52754	0.5
133.08583	44.6
134.08980	0.6
135.10115	1.1
136.06166	1.8
141.16356	12.5
145.08528	0.5
147.10130	0.7
155.17867	0.8
158.11731	1.0
161.11748	0.7
175.09624	3.3
177.11192	23.2
181.19373	0.8
191.12665	0.7
199.20538	29.8
200.20825	0.6
213.22112	0.7
219.12225	1.0
221.13823	3.9
223.15298	0.6
229.28607	0.7
239.14786	1.8
240.23277	3.8
257.24704	34.1
258.25006	1.2
265.16342	1.5
283.17484	4.3
309.18790	1.0
315.28857	1.1
327.20172	3.0
353.21472	1.6
371.18002	0.8
371.22690	15.9
411.25485	2.0
429.26794	2.8
469.30020	1.1
503.30499	3.2
527.34436	0.5
573.48279	0.9
685.49451	1.6
702.53961	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	699.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05488	0.3
69.81702	0.9
69.82114	0.4
70.06563	0.2
79.05463	0.2
81.06994	0.3
93.07000	0.2
95.08549	0.4
98.21416	0.2
105.07005	0.4
107.83495	0.2
115.03649	0.2
119.08528	0.3
121.10129	0.2
133.10069	0.3
136.91168	0.2
141.97099	0.2
145.10027	0.3
166.40485	0.2
173.13272	0.2
185.04103	0.3
251.23882	0.2
260.13547	0.2
277.08893	36.9
278.09229	0.9
295.08817	0.3
349.11063	0.2
412.99292	0.2
421.13229	0.5
699.35449	100.0
700.35791	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.4461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	5.9
57.03431	3.7
57.07069	37.8
60.08143	1.1
61.02919	14.4
67.05493	12.0
69.03410	1.9
69.07059	8.2
69.19016	1.7
69.19438	4.1
71.04971	0.9
71.08620	34.9
72.08961	0.6
73.02907	5.9
74.09694	0.4
75.04456	2.5
77.21040	0.4
79.05464	1.1
81.03408	1.2
81.07044	17.0
83.04924	0.7
83.08611	9.0
85.02889	17.3
85.06497	1.0
85.10169	20.7
86.09695	4.2
87.04444	0.9
89.06010	1.7
91.03941	15.6
91.05416	0.6
93.07024	1.0
95.08593	27.4
97.02882	8.8
97.10154	10.8
98.21120	2.6
98.98383	0.8
99.04423	0.9
99.08105	0.5
99.11699	2.1
101.02359	0.6
101.06025	0.8
105.07011	0.9
107.08549	0.6
109.02880	0.9
109.09457	0.8
109.10140	10.9
111.11700	4.9
113.13290	0.8
115.03900	0.7
123.11692	6.5
124.99995	3.4
125.13261	0.6
127.03889	5.3
136.06152	7.8
137.06500	1.9
137.13272	2.7
145.04942	6.5
146.46196	0.6
147.08015	0.7
151.14790	1.0
163.05997	14.3
165.16377	0.7
184.07321	16.4
193.19431	0.7
195.02135	0.5
204.08569	0.5
213.18457	1.0
249.25676	1.1
267.26776	19.8
268.27158	0.9
285.27750	3.3
291.99799	0.6
326.30527	1.0
341.30450	100.0
342.30862	3.3
359.31494	43.6
360.31833	1.2
503.35522	0.7
700.44855	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	698.4306
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94271	0.5
53.03918	1.1
54.59662	0.5
55.01855	1.1
55.05501	23.9
57.03430	8.0
57.06144	0.5
57.07066	16.6
61.02914	30.0
65.03927	0.9
67.05492	34.6
67.99816	0.5
69.03418	3.1
69.07056	47.7
70.07352	0.7
70.82565	0.9
71.04986	2.5
71.08227	0.7
71.08617	11.1
73.02902	11.9
75.04451	2.2
79.05475	16.0
81.03387	1.5
81.07040	44.7
82.07359	1.0
83.04944	1.2
83.08605	38.9
84.08115	0.8
84.08916	0.6
85.02888	37.1
85.06519	2.5
85.10169	6.3
87.04447	1.3
89.06006	0.9
91.03936	30.8
91.05455	2.5
93.05490	0.6
93.07030	23.8
93.07622	1.3
95.04942	1.4
95.08588	47.4
96.08932	0.8
97.02285	1.0
97.02873	16.0
97.06514	9.0
97.10150	28.9
98.10482	0.7
98.20954	1.0
99.04433	2.5
99.08065	3.3
101.02392	0.6
103.03891	0.6
105.06947	0.9
107.08574	19.8
109.10135	24.0
110.07111	0.8
111.08064	6.8
111.11698	9.7
112.42085	0.5
113.09632	1.3
115.03898	1.5
115.07511	1.1
117.05499	1.1
119.08550	0.8
121.10120	42.7
122.10426	0.8
123.11691	8.6
125.09599	3.9
125.13248	1.8
127.03893	10.4
129.09052	0.8
130.08604	1.6
133.10135	0.8
133.71245	0.5
135.11665	30.9
136.11983	0.9
137.13232	4.0
139.11192	3.0
143.14270	1.3
145.04929	15.0
149.13228	15.2
151.14798	5.7
153.12697	2.2
153.45961	0.6
157.12199	0.8
163.05984	30.3
163.14771	5.9
165.16386	4.6
167.14307	1.4
171.13731	1.0
177.16351	4.0
179.17926	0.8
181.15874	0.9
185.15382	1.0
191.17874	2.7
195.17410	1.0
199.16907	0.6
204.08597	0.9
205.19391	1.0
209.19005	0.8
213.18506	0.9
247.24162	34.4
248.24551	1.5
265.25214	100.0
266.25641	4.6
283.26245	21.8
284.26550	1.2
339.28873	92.6
340.29214	4.6
357.29919	91.9
358.30276	3.8
403.92975	0.5
501.33960	1.8
531.62927	0.5
560.24713	0.6
698.47363	0.7
716.10443	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07000	0.3
55.05431	0.3
57.31571	0.3
59.49383	0.3
67.05459	0.5
69.03381	0.7
69.07050	1.5
69.46436	0.4
69.46782	2.7
69.69232	0.3
70.06580	3.3
72.08096	0.6
79.05443	0.6
81.03353	0.4
81.06995	0.9
83.04903	0.3
84.08089	0.9
85.02827	0.6
86.09647	0.9
91.05419	0.6
92.60466	0.3
93.06969	0.9
94.06528	0.7
95.04919	0.5
95.08557	0.7
97.02843	0.4
97.06458	0.4
98.20692	0.6
99.04390	0.4
103.05376	0.4
105.06955	1.0
107.08540	0.7
108.08032	0.3
109.02796	0.5
109.10079	0.3
110.06024	0.3
110.90382	0.3
110.98895	0.3
112.07569	0.3
118.74917	0.3
119.08547	0.6
120.04420	0.5
120.08043	1.0
121.06440	0.7
121.10114	0.6
122.06009	2.2
124.07545	0.6
127.08686	0.5
129.06967	0.4
131.04871	0.5
131.08505	0.3
133.10114	0.3
134.05858	0.3
136.07478	1.2
137.05910	1.3
138.09050	0.4
140.07040	2.8
144.04433	0.4
145.10062	0.9
146.05945	1.3
146.07993	0.4
147.04353	0.8
152.07019	1.9
154.04936	0.4
154.08575	0.6
155.08127	0.6
156.10172	0.5
159.11598	0.4
161.05840	0.4
161.09628	0.5
162.05504	0.4
166.08580	0.5
167.07014	0.3
168.10243	0.4
172.03920	1.9
172.31812	0.3
173.09499	0.5
174.05493	1.8
175.03850	0.4
176.10619	0.9
177.05447	0.6
177.19432	0.3
179.07028	0.3
179.71281	0.3
183.52325	0.3
187.11108	0.4
190.04950	0.8
192.06421	0.5
192.10068	0.5
194.08040	1.7
198.07616	0.6
204.06544	2.6
206.08189	0.5
207.06384	0.7
208.09740	0.4
209.10677	0.5
210.11368	0.3
211.12212	0.4
212.09087	0.6
215.10611	0.3
220.91769	0.3
224.09381	0.3
225.10193	1.6
226.10867	0.4
227.11542	0.4
235.08661	1.0
236.09375	1.4
237.10190	4.0
238.10854	0.7
239.11557	0.8
240.12469	1.1
241.13332	0.5
243.11220	1.0
248.09328	0.5
249.10233	3.8
250.10870	2.3
251.11726	9.5
252.08841	0.5
252.12505	1.1
253.09651	3.7
253.13271	1.0
254.10147	0.5
255.11192	0.6
257.12799	0.4
259.10757	0.4
260.11057	0.5
261.10162	0.7
263.08218	0.6
263.11700	1.6
264.08810	0.5
265.09671	10.3
265.12695	0.6
266.10233	1.0
267.11230	4.0
268.11884	0.5
269.09271	0.4
269.12784	0.3
271.10431	0.5
273.12375	0.4
277.09665	1.6
278.06393	0.6
278.10492	4.2
279.07635	2.8
279.11209	12.8
280.11884	3.7
281.09430	0.5
281.12744	1.9
282.10059	0.4
283.10629	1.0
285.12241	1.2
287.10297	0.5
287.13620	0.5
289.09540	1.0
291.11124	1.0
292.11801	0.5
293.09091	4.0
293.12762	4.9
294.09863	2.1
294.13354	1.0
295.10690	2.9
295.14343	2.5
296.11551	1.6
297.12292	5.3
298.12991	0.4
299.13690	0.9
301.11813	0.8
301.15598	0.3
303.13434	1.6
306.09717	0.7
307.10587	2.2
308.11462	1.2
309.08743	0.5
309.12231	6.6
310.12555	0.6
311.10165	2.5
311.13815	1.6
312.10941	6.8
312.14130	0.3
313.03305	0.8
313.11758	2.5
314.04123	0.7
316.14224	0.4
317.11398	0.9
323.10449	0.8
323.13840	1.1
324.10968	3.2
325.11765	11.4
326.12518	1.2
327.13330	35.5
328.13675	1.5
329.06509	6.9
330.06833	0.6
331.12796	0.6
333.14624	0.4
334.14691	0.5
335.10156	3.6
336.10950	1.6
337.11713	4.1
338.12201	0.4
339.13315	71.1
340.13858	4.7
341.14853	1.0
345.14273	1.4
346.15344	0.4
352.10410	0.7
353.11273	7.2
353.15652	0.5
354.11938	1.1
355.13068	0.5
357.13956	0.7
360.17178	0.3
367.12802	60.7
368.13470	10.3
369.14279	2.3
384.13181	0.7
385.13931	4.9
386.14578	0.7
387.15485	0.4
388.16489	0.6
399.15448	12.9
400.15805	1.1
401.16632	0.7
415.15179	1.1
416.15973	1.4
421.20636	0.5
430.17447	0.4
434.16510	0.5
446.17416	0.4
467.19965	0.6
474.16656	1.1
475.17126	0.6
476.18314	2.2
480.21307	1.7
508.20694	52.6
509.20981	3.9
526.21771	4.6
540.23309	100.0
541.23639	7.5
597.22107	0.4
613.31238	0.3
615.24347	7.6
616.24048	0.4
633.25867	0.8
647.26331	1.0
679.25989	0.6
697.35223	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70318	0.5
51.57614	0.5
55.01854	0.7
57.03437	0.5
67.05488	1.0
69.03424	0.7
69.07054	1.7
70.01144	2.7
70.06590	2.5
72.08143	0.7
79.05442	0.5
80.46078	0.5
81.03376	0.6
81.07057	1.1
82.06575	0.6
84.08133	1.3
85.02883	1.1
85.06528	0.5
86.09701	0.8
91.05475	1.0
93.07022	0.9
95.04974	0.7
95.08556	0.6
99.04461	0.6
100.07610	1.0
100.11255	0.9
105.07003	2.8
107.04955	0.7
107.08559	0.5
116.69965	0.5
119.04910	0.8
121.10128	0.7
122.06005	1.4
124.07545	0.6
126.45124	0.5
131.04968	0.7
133.06444	0.6
133.10115	1.5
136.07596	1.6
137.05986	1.6
138.05444	0.6
140.07051	3.6
141.47780	0.7
145.06364	0.6
145.10092	0.8
146.06003	1.1
146.08141	1.0
147.04425	1.1
147.11642	0.8
150.05518	0.7
152.07016	1.2
154.04941	0.9
154.08661	0.6
156.10182	0.7
161.09604	1.2
166.08516	0.8
167.07018	0.8
168.06543	0.6
172.03958	0.6
173.09651	0.9
175.04025	0.6
176.07101	0.7
177.05492	1.3
183.09398	0.6
187.11197	0.5
190.04938	0.6
194.08151	0.6
199.79218	0.6
202.08569	0.6
204.06528	1.5
206.08121	0.8
207.06578	1.3
208.09787	1.0
221.10785	0.6
222.11520	1.5
225.10196	0.7
235.12181	0.7
236.09334	1.8
237.10182	2.8
237.13893	0.5
238.10892	1.1
239.11638	0.7
241.13271	0.5
242.54742	0.5
243.11456	0.6
247.08739	1.9
248.09457	2.3
249.10190	7.7
250.10913	3.1
251.11719	4.8
252.08881	0.7
252.12497	1.2
253.09650	3.1
257.59296	0.5
261.10114	2.3
262.10968	4.3
263.11749	32.8
264.12399	3.4
265.09705	6.9
265.13297	2.2
266.10358	0.8
267.11249	3.6
275.08185	0.7
276.08759	0.8
277.09662	7.5
278.10297	3.2
279.07928	1.0
279.11194	13.4
280.09045	0.8
280.11993	3.4
281.09930	0.8
281.12741	4.8
282.10739	0.8
282.13568	4.1
283.10754	0.8
285.12289	1.0
289.09741	1.9
290.10388	3.2
291.11197	13.3
292.08908	0.8
292.11874	4.0
293.09171	3.8
293.12820	3.8
294.09900	1.6
294.13199	0.5
295.10770	9.6
295.14316	1.8
296.11523	1.4
297.12241	3.2
303.07721	1.7
303.13528	0.7
307.10742	6.2
308.11530	1.8
309.12271	22.0
310.12875	2.2
311.10318	1.8
311.13950	1.7
312.10846	3.6
313.11749	1.2
317.09076	1.1
318.09744	2.4
319.10742	0.9
321.12097	1.1
322.12479	0.5
323.10468	0.8
323.13824	22.4
324.10947	1.8
324.14609	2.4
325.11877	5.8
326.12643	0.6
327.13321	23.4
328.13721	1.5
335.10147	5.6
336.10986	20.3
337.11685	7.7
338.12350	0.9
339.13327	38.0
340.13809	3.4
341.14957	3.7
345.14539	2.2
349.11877	0.6
351.13458	1.4
352.10352	0.6
353.11206	5.0
354.12000	1.4
355.12869	0.8
367.12820	49.5
368.13586	34.9
369.14301	16.4
370.15070	1.9
385.13800	2.7
386.14743	0.7
399.15475	10.2
401.17340	0.8
474.16757	0.8
476.17886	3.0
478.19662	2.3
480.21198	0.9
489.18961	2.1
490.19312	0.8
494.19287	1.3
507.19864	0.7
508.20715	64.0
509.20993	4.7
510.22275	6.7
526.21802	7.4
540.23340	100.0
541.23810	6.7
615.24603	2.9
629.26379	2.7
633.25177	2.4
637.29858	0.6
638.85358	0.6
647.26044	1.8
665.28278	5.4
666.28973	0.8
697.29993	1.0
697.52625	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07050	3.1
69.18163	1.5
69.18497	15.1
73.13140	1.2
84.08059	1.1
94.06546	2.7
122.05995	10.1
134.05948	1.1
140.07030	23.7
146.05943	7.0
148.07520	1.5
152.06995	2.8
162.05513	1.6
172.03891	7.8
174.05460	10.4
176.07011	4.7
190.04872	1.4
199.23573	1.3
200.46204	1.3
204.06511	16.6
206.08069	5.1
225.10280	1.9
236.09250	1.5
237.10217	3.8
240.12560	2.0
243.11198	7.8
249.10248	4.7
250.10934	3.0
251.11827	8.5
252.12347	1.9
253.09618	5.3
265.09631	9.6
267.11249	4.5
271.10718	1.9
277.09641	1.8
278.10410	4.9
279.08176	2.4
279.11136	12.0
280.11981	3.8
281.12646	2.1
283.10745	3.8
285.12253	9.4
287.13882	1.6
293.09515	2.5
293.12808	4.8
294.09921	2.4
295.10696	2.9
295.14325	1.8
296.11243	2.0
297.12250	5.1
299.10052	2.5
303.13336	22.8
304.13455	1.4
307.10669	2.4
309.12119	4.2
311.10367	2.9
311.13760	2.1
312.10947	5.6
313.11740	18.7
319.16608	1.8
324.10840	2.0
325.11838	13.7
326.12302	2.6
327.13312	34.1
331.12790	5.5
335.10214	3.5
337.11676	2.2
339.13318	66.9
340.13843	5.4
345.14413	16.0
346.15094	2.6
353.11243	7.6
357.14401	1.4
360.16864	2.0
367.12823	61.1
368.13586	9.8
369.14001	1.9
372.13211	3.1
373.14069	1.7
374.14798	2.9
385.13712	5.8
386.14874	5.1
387.15509	3.3
388.16333	3.4
399.15585	15.1
404.15970	2.7
405.16614	1.5
406.17722	2.4
414.14465	3.5
415.15359	10.6
416.16010	13.2
430.17413	2.0
433.16171	2.9
434.16977	3.1
446.16910	5.1
447.17752	2.4
456.15259	1.8
474.16281	10.5
475.17200	4.0
476.17722	4.5
480.21240	2.1
508.20724	57.3
509.20801	4.1
526.21515	2.7
540.23309	100.0
541.23773	8.4
573.22876	2.0
595.14874	1.3
615.24377	70.1
616.24622	7.4
647.27167	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	696.5395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	1.1
53.04136	0.3
55.01840	0.3
55.05500	5.9
56.05033	3.9
56.49295	0.2
57.03407	0.4
57.07067	2.8
58.06561	0.6
60.04518	2.0
61.02883	0.7
62.92755	0.2
65.03893	0.5
67.05492	11.3
67.05827	0.4
68.05026	1.2
69.03417	2.6
69.07057	7.5
70.06580	2.2
71.08605	1.7
71.31232	0.2
72.04478	0.4
73.02885	0.4
76.03961	0.3
79.05478	8.7
80.05008	3.4
81.03399	1.4
81.05782	1.4
81.07040	10.2
82.06562	7.2
82.07306	0.3
83.04938	0.3
83.08155	0.4
83.08604	5.0
84.08098	0.7
85.02893	3.8
85.10123	0.9
86.06042	0.4
87.04424	0.4
91.03913	0.4
91.05463	7.7
93.05738	0.6
93.07028	9.4
94.06551	16.8
94.51392	0.3
95.04968	1.3
95.07339	9.0
95.08588	8.1
96.08120	5.2
97.02859	1.5
97.10146	2.7
98.21516	0.7
103.33990	0.2
105.04436	0.5
105.06297	0.3
105.07010	6.2
107.07283	0.5
107.08575	5.5
107.49863	0.3
108.08101	2.7
109.02821	0.8
109.10127	3.3
110.09606	0.6
111.11655	0.8
114.09081	0.3
119.08560	5.2
121.08816	0.6
121.10116	5.0
122.09648	2.5
123.11699	1.2
124.11210	0.4
127.03869	0.8
131.08507	0.3
133.10104	3.3
135.10405	0.8
135.11639	2.9
136.11140	1.0
137.13197	0.8
145.04898	0.4
147.11656	1.4
149.13174	0.8
150.12662	0.3
151.14796	0.3
161.13234	1.0
163.14740	0.3
175.14772	0.5
189.16263	0.4
191.17905	0.3
193.19450	0.3
203.17839	0.3
219.21039	0.6
229.20277	0.3
233.22560	2.8
234.22174	0.6
245.22612	4.6
247.24094	0.3
250.25255	6.4
254.24687	1.3
260.23746	0.3
262.25241	100.0
263.25720	2.5
264.26712	0.8
272.25784	5.1
280.26294	5.8
310.27313	0.5
312.25223	1.2
314.26810	0.6
359.76096	0.3
442.31693	0.8
498.46445	0.3
504.47626	4.7
516.47675	34.1
517.47961	1.6
518.49219	8.5
519.49371	0.5
534.48761	8.4
534.56940	0.5
653.07965	0.3
696.53809	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	696.54
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02336	0.2
53.03907	0.6
55.01826	0.4
55.05505	5.7
55.05750	0.3
55.11298	0.1
56.05035	3.6
57.03389	0.6
57.07069	2.4
58.06595	0.8
60.04517	2.2
61.02887	0.5
61.45433	0.1
65.03901	0.6
67.04222	0.3
67.05496	9.9
68.05023	0.9
69.03424	1.9
69.07059	8.0
70.06584	2.2
71.04943	0.4
71.08623	1.8
71.09444	0.3
72.04485	0.2
73.02888	0.2
74.06036	0.2
76.03976	0.3
77.03889	0.1
79.05483	9.3
80.05006	2.9
81.03421	1.0
81.05795	1.1
81.07048	9.2
82.06568	6.4
82.07307	0.2
83.04980	0.2
83.08611	4.7
84.08099	0.6
85.02895	3.7
85.10203	0.8
86.06034	0.3
87.04449	0.3
91.03904	0.3
91.05470	7.8
93.05764	0.3
93.07034	8.6
94.06557	16.4
95.04955	1.4
95.07344	7.5
95.08596	7.3
95.09221	0.2
96.08120	5.9
96.08752	0.3
97.02381	0.1
97.02870	1.4
97.06496	0.3
97.10157	2.7
98.06025	0.1
99.04414	0.3
100.07566	0.4
105.04478	0.2
105.07018	5.1
106.06538	0.1
107.07319	0.3
107.08578	4.3
108.07435	0.2
108.08107	2.8
109.02811	0.4
109.06467	0.2
109.09459	0.2
109.10140	3.1
110.09637	0.4
110.10363	0.2
111.08020	0.3
111.11697	0.9
112.72648	0.1
117.06993	0.3
119.08567	5.6
120.08107	0.3
121.08831	0.3
121.10130	5.5
122.09654	2.2
123.11677	1.2
124.11171	0.4
125.13213	0.2
127.03918	0.7
131.08496	0.3
133.10117	3.8
134.09601	0.4
135.10402	1.0
135.11646	3.0
136.11174	0.8
137.13187	0.6
145.04910	0.4
147.11641	1.4
149.13211	1.1
151.14798	0.4
161.13242	0.8
163.14809	0.7
165.16255	0.2
170.21669	0.2
175.14790	0.3
176.46684	0.1
177.16327	0.2
182.18964	0.4
191.17909	0.2
193.19501	0.6
196.20566	0.2
217.19405	0.2
219.21001	0.8
220.20546	0.4
233.22609	2.6
234.22212	0.5
237.21895	0.3
245.22627	4.8
247.24159	0.6
250.25267	5.7
254.24728	1.3
260.23758	0.3
262.25259	100.0
263.23587	0.4
263.25781	2.7
264.26794	0.5
272.25803	4.8
278.24490	0.2
280.26321	5.7
281.26852	0.2
282.24246	0.2
296.25809	0.3
310.27402	0.2
312.25235	1.0
348.28979	0.3
368.31577	0.4
390.16498	0.2
442.31335	0.8
488.48386	0.2
504.47763	4.1
516.47711	30.8
517.48029	1.2
518.49268	7.7
519.49402	0.2
534.48792	7.5
535.49329	0.4
696.53943	7.4
696.66040	0.3
697.54559	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46509	0.6
53.03928	0.7
55.01873	0.8
55.05502	13.1
56.05830	0.8
57.03428	5.0
57.07070	8.0
61.02917	24.2
65.03922	1.4
67.05492	55.3
69.03405	2.4
69.07057	17.4
69.63535	4.5
70.76379	0.6
71.04968	2.1
71.08604	5.1
73.02906	8.3
75.04449	0.7
77.03969	0.9
79.05482	13.1
80.05824	1.0
81.03383	1.6
81.07042	68.4
83.04955	1.7
83.08144	0.9
83.08606	15.4
85.02891	28.8
85.06505	2.4
85.10152	2.4
91.03937	25.9
91.05467	10.6
93.07024	18.8
95.04934	1.8
95.08591	62.9
96.08896	1.0
97.02871	11.9
97.06509	5.6
97.10153	10.2
98.20805	0.8
99.04443	1.7
99.08055	2.6
100.12384	0.6
105.07021	8.2
107.08575	13.8
109.02854	1.1
109.10136	31.2
110.10454	0.8
111.08076	2.9
111.11694	3.1
113.09647	1.9
115.03909	2.2
116.22128	0.7
119.08558	10.3
121.10122	18.1
123.04405	0.6
123.08060	0.8
123.10818	1.2
123.11687	17.4
125.09615	1.4
125.13267	1.0
127.03889	8.4
127.11183	1.7
131.08534	0.9
133.10110	13.6
135.11667	11.6
136.07616	0.8
137.09608	1.4
137.13217	7.7
139.11113	0.9
141.12717	2.4
145.04935	12.6
145.99413	0.7
147.11653	9.8
148.32835	0.6
149.12166	1.0
149.13242	8.9
151.11176	1.4
151.14793	5.8
153.12692	0.7
155.14275	2.9
156.49498	0.6
161.11967	1.2
161.13231	14.7
163.05991	24.1
163.14787	6.6
163.62691	0.6
165.12704	1.3
165.16356	7.6
167.14313	1.8
169.15927	0.8
175.14790	8.5
177.16368	2.3
179.14264	1.4
179.17950	6.9
181.15894	1.0
185.74345	0.8
189.16347	4.2
193.15855	0.9
203.17914	1.0
217.19455	1.3
245.22612	61.3
246.22972	2.0
247.24239	0.9
262.22400	0.8
263.23660	100.0
264.23990	2.9
265.25238	2.7
281.24631	4.0
337.27304	41.6
338.27621	2.4
355.28381	14.4
356.28339	0.7
499.32535	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	696.4357
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33492	0.3
59.04981	1.1
61.42421	0.4
64.50561	0.3
67.05492	0.7
69.03405	1.2
69.07056	1.8
70.06577	1.9
71.04991	0.6
71.53409	0.7
72.08128	0.5
72.48103	0.3
73.02889	1.6
73.06543	2.5
79.05463	0.5
81.03368	0.4
81.07018	0.4
84.08124	1.4
85.02889	0.5
86.09675	0.9
87.04450	17.3
89.06010	100.0
90.06332	0.5
91.07587	0.5
94.06547	1.9
94.85652	0.3
95.04932	1.0
95.27135	0.3
97.02833	0.7
97.06519	0.6
105.07011	0.6
107.04885	0.4
107.07043	4.0
108.08074	0.8
109.10098	0.4
110.07118	0.3
113.05942	0.4
117.09126	2.1
118.06525	0.4
119.08622	0.5
120.04471	0.5
120.08089	0.8
122.05991	6.4
123.04359	0.4
123.06283	0.4
130.08609	1.6
131.07018	5.1
131.08531	0.6
133.08574	63.3
134.08875	0.4
135.10156	0.5
136.07600	0.6
137.05978	0.5
138.05429	0.4
140.07036	9.9
146.05969	3.4
147.04387	0.5
147.06636	0.4
148.07582	0.6
150.05449	0.6
152.06995	0.8
161.11693	0.6
162.05432	0.7
164.07045	0.5
172.03908	4.7
173.04420	0.4
174.05481	5.9
175.09610	4.3
176.07019	2.2
176.10695	0.5
177.11186	25.7
182.07843	0.4
188.07138	0.5
190.05035	0.9
191.05818	0.6
192.06462	0.6
194.07996	0.5
202.10837	0.4
204.06516	10.0
205.06895	0.9
206.08041	2.5
211.08557	0.7
213.10199	0.9
215.11859	0.5
219.12212	1.2
221.13757	4.6
223.15454	0.4
225.10201	1.4
229.09634	1.3
230.10242	1.3
231.11060	0.8
235.08525	0.9
236.09534	0.5
237.10208	1.9
238.11008	0.6
239.11688	1.0
239.14813	1.4
240.12405	0.6
241.09647	1.1
243.11227	3.7
249.10245	2.3
250.11006	1.3
251.11739	4.2
252.12537	0.5
253.09610	1.7
253.13365	0.5
255.11182	1.2
257.09399	0.6
257.12753	1.1
258.10028	0.5
259.10532	0.5
261.10010	0.5
263.11609	0.6
265.09695	5.0
265.12509	0.7
265.16367	1.1
267.11273	2.0
267.14645	0.4
269.09018	0.8
271.10754	0.9
272.11148	0.6
273.12234	2.2
274.12683	0.6
277.09613	0.8
278.10468	2.0
279.07632	1.7
279.11200	6.3
280.12082	2.0
281.09177	0.4
281.12616	0.5
283.10715	1.8
283.17499	2.1
284.11249	0.5
285.12277	3.9
287.10196	1.2
287.13666	0.5
289.11963	0.7
290.12244	1.1
293.09171	1.4
293.12741	2.7
294.09940	0.7
295.10730	1.7
295.14154	0.8
296.11356	0.6
297.12167	2.3
299.10239	0.7
299.13705	0.5
300.10748	0.6
301.11633	1.1
303.13358	7.3
306.09662	0.6
307.10657	1.5
308.11401	0.5
309.12265	2.4
309.18936	1.2
311.10162	1.1
311.13873	1.2
312.11127	2.4
312.14105	0.6
313.11746	6.8
314.12033	1.1
315.13293	0.9
316.13974	0.7
318.12180	0.6
318.16068	0.4
319.12473	0.7
323.10269	0.8
323.13806	0.8
324.10883	1.5
325.11737	6.2
326.12482	0.6
327.13321	14.3
327.20001	1.6
330.12164	0.5
331.09308	0.5
331.12860	2.3
331.16357	0.4
332.13605	0.6
333.14355	10.8
334.14691	9.3
335.10196	1.2
335.14807	0.9
337.11758	2.4
339.13312	31.5
340.13995	1.7
342.11752	0.5
344.13910	0.7
345.14404	4.5
346.15137	1.5
347.16043	0.6
351.15475	3.2
352.11227	0.7
352.15723	2.7
353.11374	3.3
353.21600	1.3
357.14786	0.6
358.15359	0.7
360.12558	0.7
360.16974	1.1
363.15576	0.5
367.12784	24.5
368.13580	3.9
369.14374	0.7
371.22714	0.6
372.13245	1.5
373.13950	2.4
374.14313	2.5
376.16547	0.5
378.18356	0.5
384.12741	0.5
385.13828	2.9
386.14966	2.5
387.15674	1.8
388.16562	1.8
397.24127	0.5
399.15503	6.3
400.16391	0.7
402.13760	0.7
404.15903	0.7
406.17410	0.6
414.14011	1.7
415.15146	3.6
416.15894	5.1
428.15326	0.6
430.17236	0.9
432.15210	0.8
433.16165	1.0
434.16888	1.6
441.26962	0.7
446.16953	1.4
447.17828	0.8
456.15289	1.4
474.16275	3.4
475.17175	1.7
476.17999	1.0
480.20694	0.6
506.18246	0.8
508.20682	16.3
526.22034	1.8
539.22113	0.6
540.23328	37.4
573.23059	0.6
597.22809	0.7
615.24341	24.1
635.39349	0.4
647.27148	3.6
679.30145	0.6
679.40869	6.4
696.42877	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19604	0.1
53.03928	0.4
55.01865	2.7
55.05266	0.2
55.05502	2.5
55.26039	0.1
57.03431	0.8
57.07061	0.3
59.04986	0.2
65.03926	0.7
65.67177	0.1
67.01853	0.2
67.05492	9.5
68.99769	0.6
69.03416	3.7
69.03748	0.1
69.07056	2.1
69.71735	0.6
69.72162	0.3
71.01345	1.2
71.04961	0.4
72.35851	0.1
73.02892	0.2
79.05477	6.1
81.03393	0.8
81.07039	9.4
83.04947	0.5
83.08611	1.3
85.02891	1.6
85.06515	0.3
87.04440	0.6
91.05466	4.6
93.03353	0.3
93.07026	6.9
95.04955	1.5
95.08589	7.6
97.02873	2.5
97.06522	0.8
97.10141	0.6
99.04440	0.2
99.08070	0.3
99.19074	0.1
103.03904	0.2
105.07009	4.1
107.04929	0.4
107.07863	0.2
107.08570	3.4
108.17263	0.1
109.02836	0.4
109.06487	0.6
109.10137	3.2
111.00781	0.8
111.04399	0.2
111.08062	0.4
115.03902	2.7
115.05409	0.2
117.05470	0.1
117.06993	1.8
119.08560	3.4
121.02853	1.1
121.06466	0.4
121.10121	3.8
123.04414	0.5
123.08036	0.5
123.11685	1.4
125.06005	0.2
125.09605	0.1
127.03856	0.2
128.06140	0.4
129.06982	0.8
130.07724	0.2
131.08534	3.0
133.06439	0.2
133.10104	2.7
135.04388	0.2
135.08006	0.3
135.11667	2.2
137.02318	3.1
137.03337	0.1
137.05901	0.2
137.09566	0.3
137.13174	0.4
139.07539	0.3
139.11177	0.2
141.06952	0.3
142.07713	0.1
143.08539	0.9
145.06436	0.5
145.10094	2.0
147.08026	0.3
147.11678	1.7
149.02290	0.3
149.09566	0.3
149.13242	1.1
151.07477	0.2
151.11150	0.2
153.01794	4.0
154.32965	0.1
155.08533	0.6
157.08905	0.1
157.10071	0.6
159.04358	0.1
159.07997	0.4
159.11650	1.5
161.06046	0.3
161.09579	0.3
161.13206	1.0
163.03860	0.4
163.11166	0.3
163.14763	0.5
165.01799	2.1
165.09079	0.2
166.02568	0.3
167.08507	0.2
167.10556	0.1
167.14284	0.1
169.10106	0.5
171.11673	0.5
173.05922	0.5
173.09682	0.2
173.13245	1.5
175.11131	0.3
175.14804	0.4
177.01706	0.1
177.05330	0.1
177.09084	0.1
177.12759	0.3
177.16348	0.2
179.08498	0.2
183.02858	0.9
183.04317	0.3
183.11562	0.7
185.09572	0.1
185.13219	0.5
187.03883	0.3
187.11157	0.2
187.14729	0.6
191.03381	0.2
191.14346	0.2
195.02802	0.2
195.11620	0.2
197.13243	0.2
199.11081	0.2
199.14842	0.3
201.05426	2.0
201.12729	0.2
201.16357	0.2
203.14261	0.1
205.05011	0.3
205.12141	0.2
207.13771	0.2
209.13326	0.2
211.14766	0.2
213.12762	0.3
213.16339	0.2
215.14302	0.2
219.06522	0.3
225.16701	0.1
228.04158	0.3
229.04927	4.8
233.15273	0.2
235.16898	0.2
241.19417	0.2
243.21028	0.5
247.05971	0.5
247.16988	0.1
257.04416	3.0
259.20496	0.7
261.22092	1.9
268.24130	0.1
273.22018	0.3
274.04718	0.8
275.05350	0.3
275.20148	0.2
277.21503	0.3
285.03876	1.5
289.21484	0.4
291.23108	0.2
297.22101	0.2
303.04919	100.0
303.23083	0.5
304.05310	1.9
311.23654	0.2
315.04990	0.4
315.23117	0.4
327.22964	0.2
329.24738	0.4
339.19589	0.1
339.23083	0.8
345.05960	0.4
345.24228	0.4
353.06454	0.2
357.24081	1.2
375.25275	0.6
381.05829	0.4
389.34097	0.1
393.26276	0.5
399.06897	0.4
417.07956	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06850	0.5
57.10365	0.6
59.04972	1.8
69.07040	1.0
69.91987	2.4
69.92404	1.1
70.06581	1.0
76.89653	0.6
83.08611	0.8
84.08120	0.7
93.07018	0.6
95.04960	0.6
98.21397	0.9
100.11198	1.0
112.04696	0.6
120.08039	0.8
122.05984	1.6
124.07559	0.9
137.05902	0.7
138.09143	0.7
140.06989	1.8
147.04387	1.0
152.06993	1.4
154.04955	0.7
160.07376	0.7
192.06578	0.8
194.08112	2.4
210.14774	0.9
212.09433	0.7
225.10052	0.7
235.08640	1.7
236.09364	1.2
237.10257	3.9
249.10178	12.8
250.10947	5.4
251.08130	0.9
251.09030	0.8
251.11757	8.2
252.12427	0.7
253.09692	1.0
261.10208	1.6
263.08157	1.6
263.11826	1.2
264.08862	3.1
265.09677	10.1
265.12909	1.1
277.09637	9.5
278.10452	10.8
279.07639	8.7
279.11246	20.5
279.14304	1.1
280.11890	1.3
281.09119	2.0
282.09921	0.9
289.09534	1.0
291.07803	0.8
291.11273	1.8
291.41876	0.6
292.08313	1.1
292.11853	0.9
293.09238	2.5
293.12738	24.3
294.13312	1.1
295.10812	3.5
295.13846	0.7
296.11371	1.0
297.12305	4.4
301.11972	0.7
305.09195	6.9
306.09964	1.9
307.10712	9.4
308.11401	1.2
309.08780	1.5
309.12149	7.2
310.09375	2.3
310.12808	1.4
311.10178	6.7
311.13879	1.9
312.14706	1.0
313.11942	1.3
313.15479	1.1
318.06183	0.7
320.11536	0.8
321.12292	2.2
322.13101	1.1
323.10245	4.9
323.13818	1.5
324.11182	2.9
324.14523	0.8
325.11734	14.2
325.15454	1.2
326.12698	1.7
326.16464	0.6
330.12100	0.7
330.16135	0.7
333.08643	7.8
334.09082	0.7
337.11621	3.1
338.12640	3.8
339.13333	38.3
340.13858	2.1
341.11508	1.2
342.12271	1.0
343.13007	1.6
344.13809	2.2
351.09671	19.6
351.13950	1.1
352.10211	2.7
353.10971	1.1
353.14929	11.5
355.12915	2.1
356.13776	3.3
357.14380	1.8
358.15405	1.5
366.12039	28.7
367.12820	13.1
368.13901	1.3
369.14456	8.2
370.11368	0.8
370.15564	0.8
371.16071	3.2
372.13028	1.4
372.17142	1.2
373.13907	1.2
373.18173	1.1
382.11618	0.8
383.12286	3.7
383.16653	1.1
384.13022	5.3
384.16714	0.7
385.13892	1.0
386.14890	2.1
397.13940	3.3
398.14661	15.0
399.15430	100.0
400.16534	3.9
401.13165	0.9
404.16086	1.2
414.14374	2.4
416.15982	1.4
417.17114	1.4
418.17453	0.9
426.14420	1.8
428.15994	2.6
430.13370	0.8
432.15543	1.6
442.17520	2.1
444.15433	1.2
445.16129	2.5
446.17010	2.6
454.13943	3.5
456.15543	1.4
460.18942	1.4
472.15112	2.9
473.15677	6.1
474.16434	11.3
476.18057	3.4
477.18808	1.2
488.17862	1.3
491.16760	0.8
492.17477	3.3
504.17554	3.2
505.18359	18.8
506.19131	16.6
507.19473	1.1
508.20331	0.7
512.23761	2.4
523.19550	3.3
524.20074	3.7
538.21729	76.6
539.22406	12.6
556.22772	24.2
557.23163	1.7
584.74023	0.6
595.21796	1.2
613.22748	10.0
627.24591	1.5
631.23792	2.7
645.25293	16.0
646.25854	0.8
663.26337	9.1
695.28424	3.3
695.50061	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07608	0.9
53.03930	1.1
55.01861	1.4
55.05488	2.3
56.05033	1.2
57.03422	1.3
58.99868	0.9
60.69481	0.9
61.02916	1.0
61.24893	0.9
65.03932	1.1
67.05487	4.1
69.03421	5.1
69.07055	4.5
70.06580	86.1
71.04983	5.1
71.53450	1.4
72.04491	1.5
72.08134	1.7
73.02912	6.7
79.05475	3.2
80.73370	0.9
81.03408	2.6
81.07037	5.2
82.06562	1.1
83.04972	2.5
84.04491	5.8
84.08128	4.3
85.02892	9.3
86.09205	1.6
86.09691	18.7
87.04442	0.9
88.02215	1.2
89.06009	1.8
91.05466	6.0
93.07011	7.3
94.06538	3.1
95.04967	4.5
95.08601	5.0
96.04442	1.2
97.02869	3.2
98.09681	3.2
99.04433	1.8
100.11243	1.2
102.05511	2.6
103.05444	1.5
105.07005	5.3
105.55060	1.0
106.06549	2.6
107.04926	1.1
107.08592	2.7
108.08116	1.2
109.02835	1.7
109.06467	2.3
109.10135	3.1
110.06017	1.2
110.07107	1.2
111.04406	1.8
112.11252	1.4
115.03888	1.3
115.08660	3.6
116.07072	1.6
119.04996	1.0
119.08537	6.1
120.08093	2.1
121.06480	1.5
121.10139	2.5
122.06016	9.0
123.04411	1.6
123.11730	1.3
124.07555	3.1
125.05933	1.5
125.09608	0.9
126.05486	1.1
127.03880	2.5
127.08650	5.3
129.05493	1.2
129.06567	2.0
129.10249	1.1
130.08606	1.1
131.04907	2.6
131.08578	1.2
133.08591	1.8
133.10110	2.9
134.02663	1.4
134.05997	1.4
135.07986	1.9
136.07561	12.7
137.06015	5.0
138.05444	1.6
138.09155	1.8
140.07036	3.3
141.06604	1.3
144.06554	1.2
145.10086	2.8
146.05975	5.0
146.09592	1.8
147.04379	3.4
147.08005	3.1
148.07469	4.7
149.09624	1.2
152.07043	2.9
153.05479	1.5
155.08092	5.4
157.10056	1.1
159.07823	1.2
161.05905	1.1
161.09637	1.3
162.07616	13.9
162.08963	1.9
163.07869	2.3
164.07022	32.3
164.08365	1.6
165.09076	2.0
166.08604	26.3
167.07013	2.1
168.06541	3.3
169.13327	1.9
171.11494	1.5
172.03909	5.4
172.10751	1.4
173.09502	1.3
173.13171	0.9
174.05507	3.9
175.03912	1.1
176.07036	4.9
177.05464	4.6
183.11435	1.3
183.14891	14.3
186.09090	1.4
187.07164	1.7
188.03487	1.2
189.09062	1.0
190.04996	1.9
191.05652	2.0
195.07703	1.0
195.15018	1.1
197.12862	2.6
204.06592	6.5
206.08022	1.3
207.06535	1.4
208.09746	1.3
209.10606	1.4
210.11629	2.2
211.12483	2.1
211.14432	4.1
212.10289	3.1
218.08078	1.2
221.10776	1.5
222.11366	1.8
223.12254	1.5
223.14485	0.9
224.12939	1.2
225.10175	3.1
225.13815	1.1
226.11177	0.9
227.11800	1.5
227.13928	2.6
235.08575	1.8
235.12389	2.7
236.09299	1.4
236.13109	1.7
237.10178	9.2
237.13916	2.8
238.11035	3.7
239.11720	11.5
240.16965	1.1
241.09538	1.7
241.15422	0.9
243.11101	2.0
244.09291	0.9
248.09402	2.6
249.10190	7.9
250.10941	7.2
250.15433	2.0
251.11742	11.8
252.09686	1.0
252.12535	2.9
253.09708	1.6
253.13388	2.9
254.14914	2.3
255.11256	2.5
255.13580	1.2
259.10745	3.4
263.11749	22.4
264.09033	1.8
264.12573	4.9
265.09702	10.7
265.13318	40.4
266.10431	2.2
266.13885	1.8
267.11270	5.3
268.16571	4.5
269.12747	3.7
271.10938	1.1
271.14270	2.4
273.12012	1.1
276.08359	1.2
277.09711	6.4
277.12732	1.4
278.10471	2.7
279.11218	50.4
280.11838	4.3
280.16620	1.2
281.12747	3.6
282.13629	2.3
283.10745	1.3
283.14185	2.3
285.12277	1.8
287.13885	2.8
289.11829	2.7
291.11295	10.1
292.11984	2.4
293.09698	1.4
293.12781	7.6
294.11594	2.1
295.10745	8.9
295.13919	1.6
296.11545	3.9
297.12274	24.3
297.19156	2.1
298.13004	2.7
299.09894	1.2
299.13434	1.0
301.11749	2.6
303.04974	1.4
303.13272	1.5
305.14981	2.1
309.12274	59.0
310.13043	29.3
311.10248	1.8
311.13843	28.6
312.14532	5.2
313.11676	2.7
313.15244	2.0
315.13501	2.2
317.11200	3.0
319.10513	6.9
320.11252	1.5
321.08673	1.7
321.12292	3.0
323.16037	3.3
324.10843	1.4
325.11746	2.8
325.18481	1.2
331.12851	1.4
331.16672	1.2
333.14389	3.2
337.11737	100.0
338.12500	34.7
339.09634	0.9
339.13306	21.8
340.14029	1.9
341.11392	2.5
349.14001	1.0
355.12817	2.2
357.14392	1.3
368.22705	1.6
369.09897	2.0
369.14389	35.1
370.15121	8.3
371.15900	15.3
373.14011	2.5
374.14929	1.3
383.12173	1.5
384.13165	1.1
386.14578	1.3
389.13492	1.1
396.22427	2.0
397.20859	2.2
399.15683	2.6
400.16589	2.0
401.13272	3.3
416.16049	1.2
417.16376	1.3
418.17297	1.1
426.16037	1.2
434.16882	2.0
453.24466	1.3
458.17108	3.1
464.29016	0.9
476.18079	3.7
478.19650	2.7
480.21246	42.4
494.19156	4.8
495.20154	1.5
506.19144	54.2
507.19083	3.1
508.20517	1.6
511.24850	1.7
524.20227	18.2
538.21771	75.4
539.22070	3.0
564.27588	2.7
572.22205	4.5
576.24268	1.1
582.28717	8.6
603.24072	3.6
624.33124	1.3
627.24408	7.4
632.12762	1.0
638.35693	1.1
645.25330	12.1
646.25757	1.1
650.35052	2.3
659.23529	1.9
663.26532	23.8
664.25604	1.3
667.37402	5.6
677.26855	2.9
677.36194	3.0
695.26947	4.4
695.38477	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.8
55.01856	1.4
57.02214	0.3
57.03436	1.7
59.04992	5.2
61.02904	1.1
67.05499	0.5
68.99783	0.6
69.03417	4.7
70.06588	2.3
71.04982	1.1
71.48608	0.3
71.51515	0.3
72.08146	1.1
73.02909	2.1
73.06532	1.6
73.39669	0.2
75.04480	0.5
79.05437	0.4
81.03410	4.9
81.07047	0.4
82.06558	0.8
83.04948	0.5
84.04481	0.5
84.08125	1.7
85.02892	8.9
85.06549	0.4
86.06057	0.3
86.09706	1.3
87.00816	3.4
87.03921	0.6
87.04456	13.9
89.06017	100.0
90.06322	0.8
91.03900	0.3
91.05464	0.6
93.07043	0.6
93.58742	0.3
95.04993	0.5
95.08588	0.4
97.02866	3.7
99.04444	2.2
100.07587	0.6
101.05975	0.4
103.03947	0.4
103.07560	2.0
105.01839	1.4
105.07000	0.5
107.07056	3.6
107.08595	0.4
109.02866	4.1
109.06501	0.5
110.07143	0.7
113.05998	1.4
115.03926	0.4
117.01848	0.3
117.05460	0.5
117.09117	0.7
119.04939	0.5
119.08546	0.4
120.08073	0.4
121.06482	0.6
121.10143	0.4
122.06112	0.4
124.07635	0.4
125.06044	0.4
127.03901	4.5
129.01793	0.6
129.05440	1.3
129.10214	0.8
130.08664	1.7
131.04930	0.6
131.07025	2.8
133.08582	55.7
134.02760	0.3
134.08922	0.6
136.07567	0.7
137.05940	1.1
139.03867	0.5
141.01820	1.2
143.06989	2.7
145.04918	1.4
146.08119	0.5
147.04404	1.1
147.07930	0.3
147.10158	1.9
149.06039	0.5
151.03960	0.3
151.07471	0.3
151.09641	0.4
159.02879	2.0
161.06009	0.4
161.08098	0.8
167.07014	0.8
175.09662	1.0
177.05473	0.8
177.11195	25.7
178.11554	0.5
179.06963	0.5
179.12892	0.3
191.12793	1.3
193.33336	0.3
195.12248	0.9
204.54765	0.3
207.06406	0.8
219.12241	0.5
221.13780	4.8
235.15306	0.8
239.14845	2.6
241.09439	0.4
241.13686	0.3
253.16435	0.4
265.16556	1.6
283.17480	5.8
297.19135	0.4
309.18997	0.4
327.20004	5.7
341.21805	0.6
353.21719	0.8
371.22711	61.2
372.23160	1.7
409.24271	0.9
411.26395	0.4
429.26901	48.8
430.27133	2.1
483.27933	4.3
548.17212	0.4
631.23956	0.3
694.34692	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	694.4871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.4
53.07439	1.0
55.01865	6.6
55.05500	19.3
57.03436	6.3
57.07053	3.0
65.03929	2.4
67.05494	39.8
69.03425	2.4
69.07052	23.3
69.78499	3.1
69.78910	2.8
71.04973	3.0
71.08627	1.5
79.05480	31.1
81.03399	3.8
81.07040	100.0
82.07385	1.7
83.04967	5.8
83.08601	13.6
85.02911	1.4
85.06521	3.6
89.18151	0.9
91.05457	30.8
91.32229	1.2
93.07021	28.1
95.04956	12.6
95.08589	25.9
97.06498	10.0
97.10164	1.6
98.20721	1.0
99.04459	1.2
99.08078	3.4
105.07011	34.1
107.04921	9.9
107.08573	18.8
109.06498	25.2
109.10130	11.4
110.36764	1.0
111.08032	5.6
113.05992	1.2
113.09688	1.0
117.07008	9.2
119.07722	1.5
119.08549	25.2
119.74967	0.9
121.06487	5.3
121.10129	16.0
123.08044	9.9
123.11678	7.1
125.09653	1.8
129.06982	2.8
131.08548	15.8
133.06403	1.3
133.10109	18.0
135.08034	3.8
135.11674	6.6
136.38576	0.9
137.09590	3.3
137.13200	1.3
139.11131	2.0
143.08499	2.1
145.10089	12.7
147.08054	2.0
147.11649	18.3
149.09561	8.1
149.13219	7.4
151.11189	3.5
155.08603	1.8
157.10080	5.1
159.11708	8.8
161.09663	2.3
161.13216	4.8
163.11137	8.8
163.14799	3.1
165.12744	4.5
169.10126	1.7
171.11668	2.1
173.13269	4.4
175.11156	3.3
175.14774	1.3
177.12704	3.2
179.14267	3.0
183.11633	2.4
185.13185	1.6
187.11111	1.4
187.14798	1.6
191.14299	1.8
193.12227	2.3
201.12688	1.7
229.19481	2.1
236.43063	1.0
239.17906	2.9
247.20534	3.6
257.18936	5.8
275.20004	62.9
276.20505	1.8
293.21011	13.5
349.23666	47.5
350.24109	2.6
367.24710	84.9
368.24966	4.1
533.37860	1.0
623.33472	1.4
623.42841	18.9
641.44012	27.2
642.44232	1.8
659.45026	30.2
660.44965	2.0
684.26093	1.1
694.27271	2.4
694.42236	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	693.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05487	1.0
70.06569	0.9
71.55061	0.6
81.07050	1.2
82.77753	0.5
95.08583	0.8
105.07010	0.6
109.10170	0.5
116.07085	1.1
130.60294	0.4
151.07555	0.8
168.72231	0.4
327.61694	0.4
360.78818	0.5
405.86850	0.5
552.31458	0.5
657.01477	0.5
693.34406	100.0
694.34821	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	691.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97149	0.3
53.03936	0.6
55.01847	0.6
55.05495	1.1
57.03436	1.8
59.04989	0.9
61.02914	5.3
65.03929	0.4
67.05491	8.2
68.05772	0.4
68.61984	0.4
69.03419	3.2
69.07059	1.2
70.53276	1.1
71.01334	0.6
71.04967	0.7
73.02907	3.2
77.75826	0.3
79.05470	2.5
81.03403	1.8
81.07043	4.1
83.04957	0.6
83.08646	0.5
85.02898	4.2
89.06019	0.4
91.03929	3.6
91.05488	1.5
92.46109	0.3
93.07026	3.4
95.04969	0.3
95.08595	3.7
97.02883	4.0
97.10193	0.4
99.04449	0.7
101.02340	1.7
103.03928	0.5
105.07030	1.4
107.08594	1.3
109.02869	1.0
109.10133	7.4
111.08058	0.5
117.06984	0.5
117.58183	0.3
119.08565	1.3
121.10152	1.5
123.11664	0.4
127.03892	1.6
130.08702	0.6
131.08568	0.6
133.10153	0.6
135.11671	0.7
147.11732	0.5
149.13272	0.6
150.64822	0.3
159.11731	0.6
173.11710	1.7
185.04247	0.8
195.09958	0.6
203.05260	0.4
213.46536	0.4
229.14392	1.4
241.06815	0.4
243.08444	2.3
251.12608	0.3
251.18559	0.6
335.25760	1.2
413.17743	8.3
440.30594	0.4
519.29266	5.1
691.40137	100.0
692.40515	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	691.4012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07961	0.3
53.03936	0.6
55.05494	1.2
55.40587	0.3
57.03435	2.1
57.07052	0.6
57.54297	0.3
59.04989	0.7
61.02918	6.0
65.03915	0.4
67.05497	7.0
67.05855	0.2
67.61601	0.3
69.03420	3.6
69.07052	0.9
69.90160	1.8
70.87804	0.3
71.01334	0.7
71.04974	0.8
73.02905	4.2
79.05481	2.5
81.03397	1.6
81.07050	5.6
83.08601	0.8
85.02893	6.3
85.06530	0.3
87.04444	0.7
87.87816	0.3
91.03947	4.1
91.05473	2.2
93.07035	2.9
95.04953	0.6
95.08600	3.4
97.02882	5.9
98.21404	0.5
99.04454	1.1
101.02370	1.3
103.03985	0.5
105.07016	1.1
107.08598	1.8
109.02866	0.6
109.10139	4.8
111.08062	0.6
115.03913	0.6
119.08520	1.4
121.10143	1.7
123.11684	0.5
127.03918	1.5
131.08609	0.7
133.10117	0.5
135.11690	0.9
137.09624	0.4
142.07751	0.3
145.04929	0.6
145.10127	0.5
149.13263	0.5
156.76305	0.3
173.11713	1.1
173.13165	0.5
185.04166	0.5
195.09972	0.8
203.05319	0.6
229.14360	0.6
243.08443	1.9
259.17007	1.1
335.25812	0.8
374.09583	0.4
413.17773	4.5
469.83990	0.4
519.29303	8.3
519.37109	0.6
520.29199	0.4
691.40155	100.0
692.40613	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	690.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00084	0.3
53.03928	1.6
55.01862	2.6
55.05498	1.9
56.96558	0.4
57.03429	2.9
57.07057	1.7
58.64817	0.3
59.04986	0.6
60.04514	0.7
61.02910	1.3
67.05502	1.1
68.09027	0.3
68.99778	0.6
69.03419	7.8
69.07058	2.0
70.04065	100.0
70.06576	0.8
71.01356	0.4
71.04974	0.9
71.51974	0.5
72.04515	1.0
73.02905	3.1
74.03761	0.3
75.04462	0.9
79.05492	1.0
81.03408	6.2
81.07054	1.2
82.06565	0.4
83.04964	6.1
83.08616	1.1
84.04487	1.3
84.08141	0.4
85.02889	21.7
85.06523	0.4
86.03218	0.3
87.00806	7.2
87.04460	0.9
88.07624	0.3
89.06038	0.5
91.03967	0.5
91.05460	1.3
93.07020	2.4
95.04946	0.8
95.08602	1.2
96.04489	0.5
97.02876	8.8
97.10172	0.3
99.04433	3.6
99.04937	0.3
99.08071	3.5
100.07597	0.3
101.06018	0.4
103.03970	0.3
103.05442	0.4
105.01847	9.3
105.07040	0.9
107.08569	0.8
108.81506	0.3
109.02858	7.4
109.10149	0.6
111.04418	11.0
112.04758	0.5
113.05996	0.3
115.03912	0.9
117.01859	0.8
117.06982	0.3
117.09145	0.5
119.08530	1.6
121.10109	2.1
122.10498	0.3
123.11703	0.4
125.05971	0.4
126.05527	0.6
127.03899	15.5
128.04222	0.4
129.01822	1.0
129.05461	1.9
131.08531	0.4
133.08591	0.5
133.10149	0.7
135.11601	0.4
143.08633	0.3
144.06543	0.8
145.04939	7.1
145.10043	0.4
146.08147	1.3
147.02870	0.6
147.08098	0.3
147.11691	0.5
149.09621	0.5
150.01659	0.3
153.05472	0.5
159.02859	4.6
162.07599	8.8
163.05974	0.4
163.07956	0.6
165.09154	0.4
169.90710	0.3
171.11655	0.3
175.60503	0.3
183.10141	5.3
187.14934	0.4
189.03854	0.6
197.54236	0.3
202.16612	0.3
209.11690	0.8
213.03944	1.2
221.45099	0.3
227.08347	1.2
227.12752	12.0
231.04950	4.7
234.99002	0.4
237.07582	0.7
249.06052	1.8
255.08701	0.3
273.05954	0.8
294.11835	0.5
294.92755	0.3
296.11588	3.9
325.37381	0.3
341.08710	0.9
359.09723	1.0
377.10611	0.4
453.33502	0.4
464.15192	0.6
475.11935	0.3
485.12448	0.3
493.28076	0.9
496.18671	0.4
526.02557	0.3
577.71594	0.4
690.34888	1.0
691.26294	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.5187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.8
57.07062	89.2
58.07385	1.0
59.04989	15.6
67.05505	1.3
69.07062	1.5
71.04761	1.0
71.05086	0.8
71.08615	56.4
72.08965	0.7
72.96917	0.6
73.06544	4.5
75.82842	0.6
83.08606	1.3
85.10164	48.3
87.04446	12.6
89.06011	100.0
90.06341	0.9
91.07574	1.0
97.10148	1.0
99.11715	7.6
101.06023	0.5
103.07565	7.3
107.07066	2.7
109.10127	0.8
111.11675	1.1
113.13281	3.2
117.09091	4.8
126.88129	0.7
129.09085	0.6
130.08635	2.7
131.07025	6.5
131.10738	0.7
133.08574	81.8
134.08934	1.4
155.17931	5.5
157.08673	0.9
161.11714	1.9
175.09651	5.5
177.11185	37.4
179.12755	0.7
199.90448	0.6
213.22086	6.1
219.12233	2.9
220.12663	0.7
221.13768	8.9
223.15344	0.8
239.14832	1.9
257.24680	5.9
263.14746	0.8
265.16388	2.7
283.17444	3.5
309.18964	2.5
327.20013	2.2
353.21503	1.5
371.22507	1.6
397.23950	0.8
415.25034	2.4
441.26620	1.2
459.27899	16.5
460.28094	0.9
473.28830	0.6
499.31039	3.6
517.32367	0.7
638.95801	0.6
671.49182	3.3
672.48254	0.7
688.41064	1.1
688.51965	9.2
689.51721	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	4.4
57.03436	3.9
57.07063	100.0
57.75663	0.9
58.04208	9.9
58.07401	1.1
59.04988	33.9
59.86905	0.8
60.04523	1.0
61.02922	1.0
63.80965	0.9
67.05488	4.7
69.07054	5.7
70.07847	1.1
71.04991	3.6
71.08617	73.4
72.05760	20.7
72.08951	1.3
73.02901	11.0
73.06543	32.1
74.06079	0.9
77.32534	0.9
79.05475	0.9
81.07056	4.6
82.07832	3.0
83.08604	5.0
84.08141	1.5
85.10168	58.9
86.06113	0.8
86.07329	1.2
87.04452	34.7
87.04974	1.7
87.08102	2.1
88.05252	3.5
88.07629	1.2
89.06013	32.8
90.01900	55.5
95.08599	4.7
96.09389	2.4
97.06541	1.5
97.10149	4.4
98.20710	1.9
99.11732	8.8
100.08912	1.2
101.06024	4.8
102.05516	2.0
102.06803	2.5
103.07559	19.0
107.07070	1.5
109.10175	1.1
110.10941	1.1
111.08053	1.7
111.11716	1.7
113.13318	2.1
115.07622	1.2
116.08308	5.4
117.09109	21.6
117.09887	1.5
119.07076	2.0
121.08595	1.5
129.09119	1.4
130.08646	3.5
131.07077	4.7
133.08583	21.1
135.10118	1.5
138.38116	0.9
141.16411	2.0
147.10161	4.2
152.15619	3.6
154.17218	1.0
155.17934	5.6
161.11679	4.4
163.09731	1.5
165.11252	2.1
177.11172	8.5
178.07103	8.5
178.14307	1.4
179.12799	2.5
180.12325	2.0
182.13828	0.9
183.17418	4.5
194.13733	2.1
195.12277	1.0
199.20604	1.5
208.15448	5.6
209.13882	2.2
212.21368	3.4
213.22112	5.4
219.12605	1.0
221.13899	2.1
222.09694	12.3
222.16969	5.6
223.15474	2.7
224.14903	2.3
238.16460	3.6
241.15276	1.7
252.18108	6.3
253.16470	1.4
254.16096	1.2
255.16702	1.0
256.23923	1.3
257.24713	4.0
266.12347	4.8
266.19623	8.5
267.17981	3.8
268.17490	4.4
271.16333	2.8
282.19131	3.7
283.17749	1.1
285.17761	3.4
296.20676	9.7
298.18539	1.1
310.22128	10.9
312.20132	4.6
315.18787	2.0
324.23819	1.6
326.21875	2.8
329.20544	1.2
340.23264	5.5
354.24783	5.5
356.22797	1.4
362.32434	5.4
370.24338	2.7
380.30035	0.9
384.25885	2.5
400.25162	1.5
406.35196	6.1
412.29294	1.2
416.21109	1.9
422.34396	1.8
425.33466	1.1
439.34952	0.9
450.37799	10.8
460.23618	6.0
469.36087	1.7
494.40396	3.2
510.40030	2.1
538.43005	27.3
539.43445	1.2
554.42505	3.0
574.49042	1.4
582.45532	3.8
598.44769	5.6
612.42328	1.0
630.30493	1.5
689.48712	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.5189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	0.6
55.05508	1.9
57.03429	1.1
57.07066	100.0
58.07401	1.0
59.04990	31.2
67.05486	0.9
69.07066	2.1
70.78155	1.5
71.08618	94.4
72.08940	1.2
73.06548	2.5
78.18399	0.5
79.05494	0.9
83.08598	3.2
85.10168	92.7
86.10487	1.3
87.04450	10.6
87.08066	0.5
89.06014	76.2
90.06341	0.8
91.07590	0.5
96.10753	0.5
97.10146	1.3
97.81553	0.6
99.11713	10.9
101.06005	0.6
101.09643	2.9
103.07568	1.6
107.07080	2.6
109.10133	0.8
111.11681	0.7
117.09116	6.8
120.16229	0.5
129.09108	1.0
130.08612	1.6
131.06999	4.1
133.08583	63.3
134.08928	0.8
135.10159	0.7
141.16339	11.5
147.10107	0.7
155.17952	0.9
161.11624	0.7
175.09648	4.0
176.91971	0.4
177.11185	27.6
178.11482	0.6
191.12747	0.6
199.20532	25.2
200.20869	1.1
219.12221	2.1
221.13809	8.0
223.13266	0.5
239.14931	1.3
240.23108	2.0
240.57378	0.6
243.49828	0.5
257.24710	13.2
265.16336	1.3
283.17355	2.2
300.80670	0.6
309.18988	1.8
327.20181	2.4
353.21451	0.8
371.22412	1.9
390.07166	0.6
397.24002	2.3
415.25333	18.7
416.25577	1.0
455.28531	3.3
473.29636	2.7
513.32434	1.6
671.48492	1.5
688.51813	10.4
689.40918	0.8
689.51733	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.6
55.01842	1.0
57.03403	0.7
61.02892	0.8
65.03917	0.4
66.09560	0.2
67.05490	0.3
68.99778	0.4
69.03419	2.3
69.07048	0.2
70.06579	1.7
71.04956	0.4
71.54399	0.3
72.08136	0.4
73.02880	0.7
78.04694	1.2
79.05479	3.1
81.03399	2.7
81.07017	0.5
84.08117	0.7
85.02884	4.9
86.09682	0.9
87.00810	2.3
89.06004	0.3
91.05452	1.9
93.07024	1.2
95.04955	1.5
95.08610	0.3
97.02869	2.0
99.04424	1.0
100.49819	0.2
103.05437	3.2
105.01836	1.4
105.07009	4.5
106.04115	0.6
107.04939	6.6
107.08533	0.3
109.02846	1.9
109.06478	0.6
110.07097	0.3
111.04402	1.5
115.05431	1.6
116.06179	0.2
117.01864	0.3
117.07000	1.0
119.04903	0.5
119.08551	0.5
120.08041	0.4
121.06496	2.0
122.02746	0.3
122.03577	0.5
122.05994	0.3
123.04410	3.9
123.08039	0.6
124.05186	2.5
125.05926	0.7
127.03889	2.1
128.06107	0.3
129.06960	0.8
129.71428	0.2
130.08659	0.2
131.04900	6.3
131.08524	0.8
131.36949	0.2
132.05737	0.3
133.06470	5.5
133.10068	0.2
134.03563	0.2
135.08002	1.0
136.05179	0.3
136.07521	0.4
137.05948	3.7
138.06738	0.4
139.07452	0.3
140.07048	0.7
141.06998	0.8
143.04897	0.5
143.06009	0.3
143.08534	0.5
144.05627	1.0
145.04924	0.6
145.06456	2.5
145.10083	0.5
147.04333	1.6
147.07950	0.8
148.05139	0.3
149.05959	1.1
149.09502	0.2
151.03865	1.0
151.07510	3.5
152.04655	1.7
153.05481	0.7
156.05690	0.3
157.06422	0.5
158.07248	1.1
158.08464	0.2
159.02832	0.8
159.08008	1.5
160.05173	0.6
161.05946	7.3
163.07509	11.7
164.06865	0.3
165.05423	0.4
165.09105	0.4
166.06194	0.3
167.07001	100.0
168.07367	1.8
169.06468	0.3
171.08038	0.4
172.05115	0.5
173.05959	1.4
173.09576	1.1
175.07481	2.4
177.05513	0.5
177.09113	2.0
177.87357	0.2
178.06209	0.4
179.06972	3.1
179.74324	0.2
181.08563	6.7
181.10187	0.3
184.05157	0.2
186.06664	0.3
187.07506	3.0
189.09067	0.9
191.07010	0.5
192.07745	0.6
193.08563	16.2
195.10150	0.5
199.07483	0.4
201.09029	2.2
202.06195	0.2
203.06929	0.6
203.08554	0.6
205.08548	2.7
207.06410	0.5
207.09995	1.2
209.08141	0.4
211.09593	0.7
212.09534	0.3
217.08459	1.2
219.10103	2.7
220.08707	0.3
221.07954	0.4
221.11656	0.4
229.08682	0.2
231.08067	0.5
231.10155	0.8
233.11671	3.4
237.11201	3.8
245.09512	0.3
248.08154	0.3
249.11147	1.9
251.12776	1.8
259.09741	0.3
263.10638	0.7
277.10715	0.7
291.10193	0.9
295.13315	0.7
305.11761	0.3
323.12720	1.8
324.13562	0.2
340.12827	0.3
347.13153	0.2
355.15308	9.9
356.15744	0.5
383.14798	0.2
385.16373	0.4
387.17932	13.4
388.18375	0.5
397.16205	0.5
399.18817	0.2
404.17801	0.3
405.18997	43.2
406.19312	1.8
413.15634	0.3
415.17200	0.5
423.20035	2.5
429.19067	1.0
495.20038	0.6
513.21118	0.7
531.22205	2.2
688.86993	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.4
52.81126	0.3
53.03920	0.7
55.01859	1.9
55.05484	0.8
56.05038	0.4
57.03429	0.4
65.03932	1.9
67.05484	1.9
67.77696	0.3
69.03400	1.2
69.07051	0.6
69.18493	2.8
69.18910	0.5
70.06567	1.2
71.01321	0.4
71.04971	0.7
72.08128	0.7
75.04468	0.4
76.02225	0.3
77.03904	0.7
79.05482	2.7
81.03411	2.5
81.07040	2.1
82.04176	0.4
82.06538	0.3
83.04954	0.6
84.08114	2.4
85.02890	2.8
85.06499	0.7
86.06041	1.6
86.09679	1.1
87.04431	0.6
88.03962	0.6
89.06025	0.5
91.05459	6.3
93.03386	0.4
93.07028	1.4
94.04166	1.3
94.37051	0.3
95.04948	3.7
95.08582	1.3
97.02861	0.7
97.06501	1.1
98.09648	0.5
99.04449	0.5
102.04668	0.4
103.05444	17.1
105.03360	1.5
105.07011	3.4
107.04937	3.4
107.08559	1.1
108.02088	0.8
109.02872	0.8
109.06499	1.6
109.10139	1.0
110.03581	0.3
110.07186	0.4
111.04417	0.9
111.08045	0.6
115.05435	2.6
116.00263	0.3
116.10675	1.1
117.06990	3.1
118.04147	2.9
119.04918	7.0
119.08544	1.5
120.08050	0.4
121.02807	0.3
121.06491	2.3
121.10124	0.8
121.86864	0.3
122.02727	0.7
122.03596	4.0
123.04398	2.5
123.08085	0.5
123.11751	0.6
124.05192	0.4
124.07570	0.6
125.05968	2.3
127.03915	0.8
128.06224	0.6
129.06941	1.4
129.10179	0.3
130.04077	0.6
130.08600	3.0
131.04898	30.0
131.08545	0.5
132.05716	0.8
132.44830	0.3
133.01041	0.4
133.02803	2.5
133.06470	3.8
133.10072	0.7
134.03609	0.6
135.08037	1.8
135.11624	0.4
136.01433	0.4
137.05946	62.8
138.06282	1.2
138.09093	0.4
139.07547	0.7
141.05411	1.9
142.02612	0.3
143.04883	2.3
144.05650	0.6
145.02829	0.4
145.06442	4.8
145.10025	0.5
146.03616	1.0
147.04372	9.4
147.08011	1.3
147.11603	0.4
148.05159	7.2
149.00540	1.3
149.05960	1.9
150.01344	0.5
151.03871	79.9
151.04919	3.7
151.07391	2.7
152.04277	1.1
153.05449	2.5
155.04767	0.4
155.06952	0.5
157.06410	1.5
157.10086	0.5
159.04384	0.5
159.08009	0.9
160.05188	1.3
161.00522	0.9
161.05928	4.3
161.09566	0.7
162.06654	0.7
163.03880	0.6
163.07509	20.6
164.04691	0.4
165.05457	3.1
165.07858	0.4
165.09085	1.0
166.08676	0.4
167.06998	9.1
171.04329	0.7
171.06506	0.8
173.05923	3.8
174.06734	0.8
175.07501	6.1
175.11153	0.5
176.04659	1.8
177.05428	2.7
177.07796	0.7
177.09103	1.3
178.00844	1.9
179.03452	0.4
179.07013	5.8
179.08485	0.6
181.04913	19.7
181.08490	0.9
182.05284	0.5
185.05997	0.5
187.07555	2.0
189.05444	1.4
189.08983	1.9
190.06218	0.7
190.09273	0.3
191.06984	100.0
192.07352	2.3
193.03151	15.9
193.04823	1.2
193.08549	2.1
195.06473	1.3
195.08051	0.5
199.07498	0.5
201.05371	0.9
203.06958	4.0
205.06662	0.5
205.08551	4.0
206.07318	0.4
207.06479	0.9
207.08125	0.6
207.10120	1.3
209.08003	4.1
211.07564	0.4
212.16411	2.0
213.05328	0.4
214.08614	0.4
217.06615	0.5
217.08569	0.9
218.07211	0.5
219.08220	0.6
219.10120	2.2
221.08020	0.9
223.07558	0.3
223.09598	1.2
227.07095	0.5
231.06520	1.2
233.05972	0.5
233.08002	3.9
234.06697	1.0
235.07391	0.9
235.09627	3.7
237.09030	1.4
238.09715	0.4
239.07066	0.6
239.10562	0.7
245.08018	0.8
249.09064	1.3
250.05981	0.4
251.06931	0.3
253.08624	0.4
254.17450	1.3
255.10417	0.3
259.09601	1.0
261.09140	0.5
263.09103	22.5
264.09567	0.5
265.08466	2.2
266.09393	0.5
267.10089	1.3
269.07965	0.5
269.11682	0.6
270.07858	0.3
272.18594	1.6
277.08627	1.9
278.09253	0.4
279.10043	0.5
281.11685	0.6
282.07858	2.9
283.09689	0.7
287.10181	0.9
291.10004	0.6
293.08044	1.0
294.08823	0.7
295.09607	2.1
297.11212	0.9
299.09814	0.7
299.12842	0.8
300.08957	0.6
307.09561	0.8
309.11172	1.5
314.11429	0.5
319.09683	0.6
320.09470	1.4
324.04083	0.3
325.10675	1.4
326.23282	1.9
327.12216	3.8
329.13931	1.7
337.10541	2.0
339.12247	1.1
341.13773	1.1
351.12155	1.7
355.11722	8.0
357.13242	2.2
359.14847	1.7
369.13239	4.6
371.14755	0.4
372.15097	0.4
387.14297	50.4
388.14746	1.7
405.28229	0.4
422.28952	0.4
440.29306	0.3
460.21930	0.5
517.18542	2.4
520.24072	0.3
549.21240	1.7
574.27759	0.3
688.35101	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02171	0.3
51.02373	0.7
53.03919	0.4
55.01855	1.3
55.05495	0.3
56.04770	0.3
59.49518	0.3
65.03922	2.3
66.04690	0.4
66.68797	0.3
67.05482	1.6
69.03400	0.9
69.07040	0.7
69.20872	2.3
69.21294	0.8
70.06567	1.2
71.04964	0.4
72.08135	0.4
72.41821	0.3
73.02884	0.3
75.04472	0.6
77.03883	0.4
78.04683	0.3
79.05480	2.5
81.03399	2.3
81.07033	1.3
84.02130	0.3
84.08121	1.0
84.22517	0.3
85.02882	2.3
86.06068	1.4
86.09694	0.5
91.05464	5.9
93.03382	0.5
93.07014	0.9
94.04144	1.3
95.01340	0.5
95.04955	2.8
95.08583	0.8
97.02866	0.6
97.06502	0.8
98.09677	0.5
98.20753	0.5
99.04417	0.3
102.04607	0.3
102.67444	0.3
103.05447	15.1
105.03356	1.2
105.07025	2.7
106.04165	0.3
107.04944	2.2
107.08575	0.5
108.02072	0.9
108.08132	0.3
109.02883	0.6
109.06496	1.5
109.10142	0.5
110.03672	0.5
110.07169	0.4
111.04408	0.8
115.05444	3.0
116.10706	1.3
117.06979	2.4
118.04153	2.7
119.04926	6.6
119.08553	1.1
120.05754	0.4
121.01078	0.4
121.06518	1.5
121.10119	0.6
122.03622	2.8
123.04404	2.1
124.05199	0.6
125.05953	1.6
127.03869	0.5
128.06210	0.6
129.06944	1.5
130.04134	0.8
130.08595	1.1
131.04903	29.6
131.08510	0.6
132.05606	1.0
133.01117	0.3
133.02847	1.8
133.06468	3.4
133.10075	0.5
134.03610	0.6
135.04395	0.9
135.08015	2.2
137.05952	61.6
138.06299	1.0
139.03867	0.4
139.07521	0.4
141.05434	1.7
142.08629	0.7
143.04961	1.6
143.05930	0.3
144.05614	0.7
145.02666	0.3
145.06461	3.6
145.10046	0.4
146.03578	0.8
146.05959	0.4
147.04384	8.1
147.08093	1.3
147.11606	0.5
148.05170	7.6
149.00522	1.2
149.05965	2.2
149.09535	0.4
151.03877	78.4
151.04927	3.6
151.07364	2.0
152.04175	1.5
152.10562	0.3
153.05438	1.9
155.07098	0.4
157.06470	1.2
159.04408	0.4
159.08125	0.5
160.05167	1.6
161.00572	0.6
161.05949	4.3
161.09583	0.3
162.06708	1.2
163.07512	19.0
164.04651	0.3
164.07898	0.5
165.05455	3.5
165.09082	0.9
167.07019	10.6
171.04381	0.9
171.06549	0.5
173.05960	3.1
174.06749	0.8
175.03949	0.5
175.07506	5.7
176.04648	2.0
176.08260	0.3
177.05486	2.9
177.07771	0.8
177.09120	0.9
178.00740	1.8
179.03374	0.4
179.07019	5.1
179.08519	0.6
181.04921	17.1
181.08426	0.6
182.05272	0.4
183.06409	0.3
187.07523	2.2
189.05406	1.2
189.09058	2.0
190.06223	0.5
191.06992	100.0
192.07417	2.4
193.03169	14.4
193.04854	1.2
193.08591	2.5
193.12292	0.3
194.03548	0.4
194.15289	0.3
195.06493	1.1
199.07567	0.6
201.05383	1.0
202.06287	0.4
203.06973	3.1
204.07808	0.6
205.06511	0.8
205.08575	3.1
207.06517	1.1
207.08301	0.5
207.10074	1.6
209.08006	4.5
209.09621	0.3
212.16434	3.4
217.06575	0.4
217.08525	1.4
219.08179	0.4
219.10118	1.9
221.08018	0.8
221.09846	0.3
222.06477	0.5
223.07507	0.5
223.09645	0.9
227.07027	0.5
230.17514	0.7
231.06413	0.7
233.05827	0.5
233.08014	3.5
234.06714	0.7
235.07475	0.7
235.09610	3.6
237.09070	1.7
238.09764	0.3
245.08018	0.9
249.09050	1.1
250.06125	0.3
251.06940	0.4
254.17432	0.7
255.10100	0.5
257.07959	0.4
259.09680	1.0
262.06082	0.6
263.09116	21.4
264.09564	0.6
265.08517	1.7
266.09305	0.5
267.09970	1.4
270.07974	0.4
272.18463	0.4
277.08432	1.5
279.10205	0.6
280.07230	0.3
281.11664	0.4
282.07849	1.7
283.09842	1.1
287.10226	0.5
293.08075	0.9
294.08914	0.8
295.09531	1.6
297.11160	0.7
299.12943	0.6
300.08899	0.9
301.11569	0.4
305.08063	0.6
307.09534	0.8
309.11020	1.4
310.08301	0.4
311.12692	0.3
314.11542	0.4
323.09274	0.5
325.10648	1.6
326.11325	0.4
326.23184	1.3
327.12222	3.0
329.13791	1.7
336.09692	0.4
337.10876	1.6
339.12207	0.9
341.13828	1.2
351.12180	1.8
355.11832	8.7
356.11755	0.3
357.13239	1.4
359.14761	1.6
369.13217	4.5
373.12466	0.3
383.08746	0.4
385.15726	0.3
387.14310	47.1
388.14819	2.3
401.09784	0.6
422.28818	1.6
429.11346	0.3
440.30106	0.9
460.21808	0.7
478.22824	0.9
508.20642	0.3
517.18665	2.4
523.82831	0.3
549.21313	1.6
672.89130	0.3
688.35028	0.9
690.75507	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.5399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00448	0.9
55.05487	3.5
57.03414	3.5
57.07065	100.0
59.04990	53.8
67.05501	2.4
67.17023	1.1
69.07035	3.5
69.92416	1.0
71.08620	100.0
71.54113	1.5
72.82923	1.1
79.05457	1.5
79.21532	1.0
81.07040	4.2
83.08587	4.6
85.10168	99.5
87.04439	4.5
89.06010	18.8
93.07002	1.5
95.08569	2.5
97.10138	2.4
99.11701	12.4
101.06001	2.1
101.09648	6.2
103.07558	2.5
105.06961	1.2
109.10136	1.5
115.07564	1.6
117.09104	18.3
119.08488	1.1
130.08652	2.4
133.08582	17.0
135.11661	1.4
136.06189	2.1
141.16354	11.5
155.17900	1.7
158.11778	1.6
159.13875	1.3
161.11742	1.1
175.13199	1.6
177.11261	5.0
191.12885	1.2
199.20537	30.1
200.20952	1.2
213.22050	2.3
219.15327	1.1
221.13809	1.4
233.17401	1.6
239.14792	7.3
240.23141	3.9
244.42128	1.1
255.23221	1.2
257.24689	45.4
258.24939	2.2
271.26312	1.5
297.18945	4.6
315.28848	4.7
355.23306	2.8
395.26294	1.4
413.27087	1.9
514.85571	1.2
555.79712	1.3
669.51434	1.4
686.54529	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	687.301
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97921	0.5
52.97433	0.6
60.96886	0.7
61.83379	0.6
64.86761	0.6
67.05484	1.2
69.07056	0.7
70.82884	1.5
79.05472	0.7
81.07023	1.1
89.06004	0.8
91.05437	0.7
93.07009	0.9
95.04945	0.7
95.08570	0.8
105.07031	1.4
107.08581	1.1
111.02686	0.6
119.08571	0.7
121.10113	0.8
128.50307	0.6
131.08510	0.9
149.02310	0.6
161.99785	0.6
164.94841	0.6
166.08696	1.0
180.08098	0.7
185.07204	0.6
195.09213	1.1
197.10786	0.8
199.08659	1.5
207.09109	1.1
208.85558	0.6
209.10605	4.2
210.11453	1.3
211.08688	0.8
211.12337	2.0
213.06706	0.7
221.10728	1.1
222.11459	1.9
222.15341	0.6
223.08658	1.8
223.12210	3.8
224.12987	4.0
225.13882	2.3
226.14586	0.7
227.08170	1.1
232.09743	1.6
235.12277	0.8
235.77769	0.7
236.13120	0.9
237.10272	2.4
237.13841	10.8
238.14610	7.6
239.15425	2.3
241.09810	0.9
248.09003	0.6
249.10091	0.6
249.14040	0.7
250.10933	0.8
251.08253	0.9
251.11795	1.1
252.12526	0.7
253.13435	1.3
255.07916	0.8
255.11263	1.5
265.13330	7.9
266.14102	3.0
267.14923	3.3
269.09229	0.7
273.12326	1.7
297.12369	1.9
301.12149	0.6
309.15836	0.9
314.16577	1.3
315.13449	2.6
325.15466	8.1
326.16190	1.2
327.17093	2.8
335.14050	0.7
340.14307	0.8
341.11536	0.7
343.12897	1.1
372.16934	0.9
386.19147	0.7
389.21014	0.7
400.16440	1.4
401.21066	1.1
402.21704	1.9
404.23434	1.7
405.17120	0.8
407.19327	1.0
408.19354	0.9
409.20309	1.2
414.18695	0.8
419.18747	1.1
430.21240	0.8
432.19925	0.9
437.19806	1.4
438.20615	0.9
451.21445	0.7
456.23407	0.8
466.20160	1.0
467.20572	0.7
481.22632	1.3
490.23212	1.3
491.24323	1.6
495.19229	0.7
497.25336	1.9
498.25891	0.8
506.23737	0.7
507.23831	2.8
509.22266	1.0
511.23376	1.0
524.24213	1.4
525.24994	4.7
535.23541	0.9
536.21698	0.7
539.26654	1.0
540.27026	1.8
549.24963	2.2
550.23853	1.4
553.24762	1.5
553.69031	0.8
567.26202	2.9
568.26935	1.5
595.25690	3.0
609.27301	6.5
611.28461	1.5
623.25165	1.8
627.27948	21.7
628.28137	1.8
637.26367	2.7
644.87311	0.7
655.27466	100.0
656.27948	6.6
687.29559	4.6
687.40314	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
55.01862	0.5
55.05500	10.1
57.03429	12.3
57.07071	2.6
59.04985	3.3
61.02915	3.6
62.67001	0.4
64.76015	0.4
65.03931	1.5
67.05493	87.4
68.05870	0.4
69.03416	1.4
69.07056	7.5
70.78286	0.8
70.78620	0.9
71.04974	3.4
71.08611	0.5
73.02904	1.7
76.42336	0.4
76.93340	0.4
79.05479	15.8
81.03407	0.5
81.07042	31.6
83.04971	0.9
83.08601	7.4
83.39198	0.4
85.02895	3.9
85.06519	2.8
87.04427	0.5
91.03941	1.7
91.05462	11.7
93.07027	21.2
95.04964	1.8
95.08591	23.7
97.02872	2.5
97.06531	1.2
97.10160	1.6
99.04429	0.5
99.08059	1.0
103.03931	0.6
105.07011	5.5
105.86585	0.5
107.08571	11.4
109.06492	0.8
109.10137	72.3
111.08047	3.5
117.06984	2.0
119.08562	9.6
121.10117	9.3
123.08012	0.7
123.11710	3.5
125.09584	1.4
127.03872	0.4
127.11217	0.5
131.08534	5.1
133.10114	4.2
135.11664	8.0
135.12596	0.7
137.09572	2.9
137.13232	0.7
145.05013	0.5
145.10078	3.7
146.80742	0.4
147.11650	2.7
149.13260	4.2
153.12666	0.5
155.10620	3.8
159.11644	2.9
161.13229	2.4
163.14775	1.7
173.11729	22.2
173.13211	3.0
175.14780	1.2
177.16356	0.5
187.14766	1.5
189.11169	1.3
200.03809	0.4
227.12720	5.3
229.14307	100.0
230.14677	1.5
233.22557	0.7
243.21069	4.7
261.22076	16.0
262.22601	0.5
317.24640	2.2
325.33481	0.5
335.25739	68.9
336.26050	1.7
353.26724	0.5
379.29752	0.8
397.30939	1.8
415.31839	1.5
471.34619	1.4
489.35651	43.2
490.35928	1.5
507.36707	4.8
524.01385	0.6
686.39337	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	686.5401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	0.7
55.05505	2.1
57.03430	1.9
57.07066	100.0
58.07379	0.9
59.04992	39.0
67.05510	1.0
69.07066	2.4
69.29152	0.5
69.29471	4.9
71.08620	73.4
72.08977	0.5
81.07050	1.0
83.08611	2.6
84.08143	0.5
85.10172	57.6
86.10501	0.7
87.04458	3.1
88.15131	0.5
89.06016	20.9
91.05795	0.5
95.08597	0.9
97.10165	3.0
99.11719	12.4
100.07592	0.9
101.05992	0.8
101.09641	4.5
103.07553	0.8
103.38084	0.4
107.07059	1.1
109.10143	0.6
111.11707	1.0
113.13278	4.0
115.07574	0.7
117.09121	11.7
125.13235	0.4
130.08604	1.5
131.07024	0.9
133.08583	14.5
147.10126	0.8
155.17926	10.7
158.11707	0.7
159.13762	0.6
163.19283	0.4
175.09596	0.6
175.13223	0.8
177.11224	7.3
213.22101	24.0
216.47139	0.4
221.13828	0.9
233.17371	0.6
254.24771	2.5
271.26279	26.8
272.26422	0.8
279.92441	0.5
283.17465	9.3
323.20508	0.7
329.30377	2.3
339.58008	0.4
341.21634	5.0
381.24451	1.3
399.25522	1.9
433.18057	0.4
439.28513	0.6
669.50543	0.8
686.54388	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	686.4455
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19214	0.5
52.22558	0.5
53.03936	1.2
55.01857	1.5
55.05232	0.6
55.05499	12.2
57.03147	1.0
57.03424	12.5
57.07074	2.7
57.12832	0.5
59.04992	3.6
61.02914	5.2
65.03922	2.0
65.91045	0.5
67.05491	100.0
67.20717	0.5
67.87292	0.5
69.03411	2.1
69.07053	8.9
70.44630	0.9
70.45000	1.7
71.04983	3.5
71.08615	1.2
73.02888	0.9
76.41103	0.5
79.05478	22.5
81.03399	0.8
81.07040	38.4
83.04983	1.0
83.08598	9.9
83.28965	0.5
85.02886	5.5
85.06526	2.8
87.04456	0.5
88.57930	0.5
91.03947	2.3
91.05459	12.7
93.07023	26.5
95.04948	1.6
95.08586	27.2
96.08906	0.6
97.02876	2.6
97.06509	1.4
97.10149	2.3
99.08084	0.9
105.07014	8.0
107.08570	14.9
109.06483	0.9
109.10133	81.0
110.10441	0.9
111.08049	3.6
117.06998	2.9
119.07708	0.6
119.08553	11.3
121.10117	12.4
123.08036	0.8
123.11656	4.0
125.09618	1.2
127.03880	0.8
127.11160	0.7
131.08531	5.9
133.10120	5.4
135.11658	8.4
137.09596	3.7
137.13249	1.2
143.08543	0.8
145.10109	4.7
147.11647	3.2
149.13234	5.3
155.10638	5.3
159.11641	3.0
161.13226	2.8
163.14807	3.2
173.11732	21.7
173.13235	3.9
175.14734	1.2
177.16383	1.2
187.14798	1.8
189.11212	1.2
201.16252	0.7
213.34343	0.5
227.12715	4.4
229.14299	97.6
230.14664	1.6
233.22639	0.9
243.21005	5.3
261.22083	18.7
262.22568	0.6
295.79114	0.7
299.23743	0.7
317.24609	2.7
335.25726	87.5
336.26047	2.2
397.30954	1.3
415.31912	1.1
449.31439	0.5
471.34488	0.9
489.35660	70.8
490.35925	2.3
507.36832	4.0
703.32483	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.4666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.4
55.01857	2.1
55.05502	19.4
55.29532	1.1
56.10033	1.0
57.03418	3.5
57.07055	3.8
59.04995	2.7
65.03934	2.3
67.05489	22.8
68.54624	1.2
69.03413	12.8
69.07054	12.2
71.04974	7.0
71.54538	1.3
79.05480	21.4
81.03400	12.2
81.07037	38.9
83.04960	15.9
83.08607	19.1
84.08115	1.9
85.02888	7.1
85.06523	4.7
87.04417	1.2
90.00922	1.4
91.05432	18.0
93.07025	30.3
95.04947	34.1
95.08588	24.2
97.02872	5.7
97.06498	10.2
97.10158	3.2
99.04440	10.2
99.08040	3.1
101.10058	1.1
103.03858	1.2
105.07008	27.2
107.04880	1.8
107.07862	1.8
107.08574	31.7
109.02802	2.4
109.06497	25.5
109.10133	36.1
111.04406	2.2
111.08060	5.1
113.09676	1.7
115.03917	1.5
115.05497	1.4
117.07003	8.2
119.08548	22.6
121.06441	2.1
121.10124	28.1
123.08017	6.2
123.11657	9.7
125.09604	3.2
127.03908	2.6
128.06198	1.3
129.06978	4.8
130.07745	2.6
130.08627	2.8
131.08536	18.7
133.06432	2.3
133.10107	50.1
134.10448	2.1
135.08035	8.2
135.11653	15.3
137.09547	2.9
139.11145	3.0
143.08516	5.6
145.04904	1.2
145.10109	14.3
147.11638	14.8
149.09587	2.5
149.13228	17.4
151.07552	2.1
151.11163	14.9
153.09065	15.7
155.08530	2.0
157.10072	5.5
158.10887	5.5
159.11655	6.5
161.13239	3.8
163.11145	1.8
163.14804	4.9
165.12737	4.3
167.05605	1.5
167.14273	15.0
169.10115	2.3
171.08064	1.3
171.10217	2.0
171.11676	4.4
173.09581	1.3
173.13242	39.0
174.13576	1.8
175.11134	2.8
175.14807	4.4
183.11664	2.3
185.13216	2.8
187.11111	1.4
187.14825	1.4
189.12668	1.5
191.14278	53.5
191.16032	2.8
193.15802	1.5
199.14824	1.3
203.14319	1.6
207.11546	1.1
207.13669	1.6
209.15320	100.0
210.15668	4.2
211.11079	1.4
227.14317	1.8
227.16351	13.6
232.17140	1.3
243.21036	1.6
259.20496	2.1
261.22031	3.0
277.21725	2.8
279.23401	1.2
289.21622	2.5
299.16345	1.4
301.21619	2.2
303.23071	3.5
315.23068	2.9
341.24683	2.6
345.24109	1.5
351.23141	4.0
353.19504	1.9
357.07831	1.2
369.24207	10.6
387.25223	10.2
391.28299	1.3
405.26111	10.2
423.27524	2.1
429.08636	1.4
490.30533	1.3
600.54193	1.3
684.38397	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	684.4666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.6
55.05502	20.6
57.03419	3.8
57.07059	3.2
59.04992	2.2
59.93419	1.2
61.13167	1.2
65.03918	1.5
67.05496	23.4
68.77523	1.1
69.03420	9.7
69.07053	11.3
70.06610	1.2
71.03436	1.2
71.04979	7.8
71.53680	2.6
75.05246	1.3
79.05480	20.2
81.03397	10.9
81.07044	32.0
83.04966	14.4
83.08607	16.4
84.08131	15.2
85.02886	7.7
85.06524	4.1
87.04436	1.7
91.05431	15.1
93.07023	28.0
95.04945	32.4
95.08594	22.0
97.02864	5.7
97.06491	8.2
97.10143	3.5
98.40296	1.3
99.04424	11.7
99.08089	2.5
100.52218	1.3
105.07019	24.0
107.04949	3.4
107.07858	2.5
107.08577	32.4
109.02831	2.3
109.06493	26.8
109.09451	2.5
109.10136	31.4
111.04424	2.3
111.08070	5.3
115.07493	1.4
117.06998	6.3
117.24723	1.1
119.08562	19.6
119.40207	1.3
121.06488	3.1
121.10117	22.3
123.08041	6.2
123.11681	9.8
125.06049	1.2
125.09643	3.2
127.03905	2.7
127.07544	2.0
128.06218	1.5
129.06992	5.4
130.07706	2.7
130.08620	27.1
131.08537	18.2
133.06477	2.1
133.10106	47.9
135.08069	6.8
135.11664	15.7
137.09636	1.8
139.11154	3.2
143.08569	6.4
145.10097	13.5
147.08066	1.8
147.11674	15.6
149.09575	2.6
149.13188	14.2
151.11157	15.9
153.09081	13.3
155.08456	2.4
157.10106	4.1
158.10909	4.9
159.11661	5.5
161.13240	2.4
163.11043	2.1
163.14830	3.9
165.12755	3.5
167.14288	14.8
169.10089	3.2
171.08099	1.6
171.10237	2.0
171.11716	4.1
173.13220	33.6
174.13631	1.5
175.14806	3.3
183.11638	3.7
187.14774	1.4
189.12578	1.7
191.14268	53.7
197.13123	1.6
199.14804	1.6
201.12589	1.6
203.14337	2.0
209.15326	100.0
210.15718	3.2
215.14357	1.3
227.16382	16.6
259.20468	2.9
261.22043	4.5
273.22107	1.8
275.23691	1.3
277.21530	3.4
291.23145	2.4
299.16422	1.3
301.21588	2.5
303.23166	3.6
312.51447	1.2
315.22986	1.7
317.17441	1.7
327.23218	1.5
341.24664	3.0
351.22995	2.5
369.24255	9.1
387.25156	9.1
405.26260	8.6
423.27536	2.0
441.19080	3.1
442.25372	1.5
467.16876	1.6
469.18774	2.1
583.21875	5.5
584.21570	2.1
643.23810	10.7
644.23883	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	683.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67704	0.6
67.05472	1.2
69.07014	0.9
70.06554	1.8
71.01932	1.4
72.08096	1.0
81.03386	0.6
84.04488	0.6
84.08086	2.7
84.69087	0.7
91.05475	3.0
93.07023	4.8
94.06548	1.3
95.04914	1.7
96.04408	0.6
107.07344	0.7
107.08548	0.9
108.04465	1.0
108.08073	1.1
109.06441	1.0
110.06011	1.3
111.08060	3.9
117.06982	0.7
120.08048	0.8
121.06463	1.4
122.06038	4.4
124.07523	0.9
130.08572	2.8
130.43608	0.6
130.75711	0.7
134.09645	3.3
135.08022	2.3
136.07558	7.1
137.05923	1.8
138.05522	0.9
140.07042	4.4
145.06361	0.7
146.06000	1.1
146.08261	0.8
146.09540	1.1
148.07520	2.2
150.09117	2.8
152.07021	0.9
152.10674	2.8
154.08575	5.3
160.07553	0.7
162.05394	0.8
162.09111	26.6
163.07523	1.3
163.09508	0.6
164.07013	3.0
166.08611	5.3
166.66798	0.6
168.06467	2.0
170.09599	0.9
171.09114	1.7
173.10678	4.6
174.05551	1.2
174.09100	1.7
178.08626	1.3
180.10162	23.6
184.07588	0.8
185.10709	1.0
186.07797	0.9
190.08562	4.1
192.10208	0.6
198.09190	1.4
199.08524	3.5
200.07022	0.9
201.10162	3.3
202.08733	0.8
204.06506	1.3
206.08156	0.8
208.09648	64.6
209.10121	2.2
211.08607	2.3
212.09331	1.1
213.10226	6.3
215.08145	4.0
215.11734	2.2
218.08115	0.9
220.09625	1.9
225.10220	2.7
226.08646	1.1
227.08133	9.8
228.08701	1.7
229.09756	0.7
231.11409	0.7
237.10126	1.2
238.10866	0.8
239.08202	1.3
239.11746	3.2
240.08888	1.1
241.09665	11.4
242.07961	0.9
242.10318	1.1
243.11266	12.3
244.09567	0.7
245.09232	3.4
246.07568	2.0
250.10841	1.0
251.08017	0.9
251.11691	1.4
252.08536	0.8
253.09645	4.3
255.11070	1.3
257.09085	1.3
259.10754	10.6
261.12231	1.5
263.11713	1.5
264.08777	0.9
265.09662	2.9
267.11276	8.0
269.09097	8.2
269.12054	0.9
269.12604	0.7
277.09625	0.8
279.11169	1.6
281.09195	1.6
283.10803	0.8
285.08768	1.3
285.12241	1.8
286.09421	1.1
287.10214	92.2
288.10617	3.8
293.09171	1.6
295.10718	5.8
297.12204	1.7
301.11887	1.5
302.12436	0.9
303.12814	0.9
309.12305	2.1
311.10245	1.2
313.11746	18.9
314.12064	0.9
319.12814	7.6
320.13150	2.1
323.10104	1.7
325.11823	3.3
327.13074	0.8
335.10413	1.7
337.11609	3.8
339.09671	1.8
341.11176	11.3
341.14999	0.8
342.12085	0.9
353.11264	8.2
354.11780	1.2
355.12817	3.0
359.12393	2.1
369.14340	1.2
373.13873	48.8
374.14282	4.0
417.15445	0.7
430.17624	1.0
444.17465	1.0
448.18906	1.4
450.20203	1.0
458.17368	0.7
468.21143	2.7
476.18448	3.3
478.19196	0.9
494.19141	55.5
495.19604	4.9
508.20724	1.8
512.13593	0.9
512.20392	9.7
526.21771	100.0
527.21954	8.8
615.24274	1.5
633.25397	1.4
634.24536	1.0
647.26038	1.1
651.26270	3.2
665.27368	1.1
683.28723	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	683.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.1
56.79639	0.5
62.50563	0.6
67.05479	1.3
69.03412	1.0
69.07044	1.5
70.06560	1.2
71.19188	1.5
73.99828	0.6
81.07039	0.8
82.06540	0.7
84.08127	0.7
91.05453	4.5
92.06941	0.6
93.07046	5.8
94.06531	2.9
95.04945	2.1
95.08597	0.8
105.06974	0.8
106.06533	1.3
107.08566	0.8
108.04470	0.9
108.08096	2.0
109.06471	1.2
110.06039	2.0
111.08046	4.3
115.98692	0.6
117.06973	0.9
120.04417	0.7
120.08102	0.7
121.06480	1.9
122.06022	4.3
124.07557	1.9
134.09628	5.0
135.08022	2.3
136.07552	8.5
137.05986	1.4
138.05486	0.7
138.09138	1.0
140.07047	4.7
146.06042	1.8
147.06752	1.0
148.07558	4.3
150.09134	3.2
151.09572	0.6
152.07059	1.0
152.10692	5.3
154.08621	5.3
159.09280	0.6
160.07588	1.4
162.09096	33.0
163.07501	2.4
164.06995	3.0
166.08603	10.9
168.06569	1.1
171.09180	1.7
173.10684	4.0
174.05525	0.9
174.09131	2.0
176.10793	1.2
178.08676	0.9
180.10156	29.1
182.08159	0.7
185.10777	0.9
188.03531	0.6
190.08618	4.4
197.10748	1.0
198.09169	1.2
199.08592	4.7
200.07184	0.7
201.10187	3.6
202.08583	1.1
204.06546	0.9
206.08133	1.1
208.09636	73.8
209.10078	1.3
211.08653	3.1
211.12178	0.7
213.10176	6.6
214.08762	0.9
215.08171	3.2
215.11780	2.5
216.10141	1.0
218.08051	1.3
220.09659	1.8
223.08667	1.6
224.10716	1.1
225.06670	0.7
225.10112	3.1
226.08615	2.0
227.08116	10.7
227.11667	1.6
228.08791	1.3
229.09619	0.8
237.10219	1.6
239.08069	2.3
239.11696	4.8
240.08856	1.2
241.09680	13.7
241.13405	0.9
242.10223	1.2
243.11209	11.6
245.09126	4.2
246.07605	2.7
249.10204	1.3
251.08130	0.9
251.11971	0.8
252.08969	1.1
253.09668	4.8
255.11328	1.3
257.09195	1.7
257.12668	0.8
259.10721	15.0
261.12292	2.6
264.08737	0.9
265.09622	3.7
266.10596	0.9
267.07736	1.4
267.11215	9.7
268.11893	1.0
269.09213	8.4
269.12808	2.4
277.09464	0.8
279.11145	1.5
281.09128	2.0
283.10709	1.1
284.11472	0.7
285.08661	4.3
285.12265	2.0
286.09381	1.2
287.10202	74.9
288.10568	3.0
293.09177	2.2
294.09900	0.7
295.10693	7.4
297.12314	1.0
305.11258	1.9
305.14816	1.2
307.16611	1.0
309.08707	0.9
309.12180	0.9
311.10120	3.1
312.11160	1.1
313.11777	23.8
314.12155	1.3
315.13327	0.9
319.12851	16.8
323.10141	2.6
323.15997	1.1
325.11823	2.6
331.12979	1.2
337.11768	2.1
339.09683	5.0
341.11267	14.0
342.12106	1.5
345.14743	0.8
353.11307	6.4
354.12170	0.8
355.12814	3.2
359.12238	1.9
360.17111	0.8
361.13779	0.7
369.14105	0.8
373.13861	60.0
374.14267	3.4
389.13718	0.9
401.13263	0.8
417.15591	1.1
430.17618	1.5
433.17242	0.7
444.17590	3.4
448.18436	1.5
450.20309	1.4
458.16998	2.1
468.21274	3.8
476.19675	7.5
494.19113	51.9
495.19318	3.7
508.20602	2.6
512.20148	9.8
526.21735	100.0
527.21881	7.8
586.19556	0.7
615.24078	1.8
633.25464	3.2
647.27417	1.1
651.26501	13.4
652.26422	1.1
665.27728	1.2
683.29144	11.8
684.29681	0.9
695.12341	0.8
695.24335	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
55.05504	27.0
57.03424	6.9
57.07069	16.2
61.02919	14.7
67.05498	32.5
69.03430	2.6
69.07062	50.4
71.04999	2.2
71.08621	11.2
71.52618	2.0
71.53006	1.6
73.02900	6.9
75.04480	2.0
79.05480	17.0
81.03400	2.3
81.07047	44.6
83.04980	1.6
83.08606	36.0
85.02892	18.1
85.06525	3.0
85.10159	5.5
87.04498	1.2
88.85901	1.0
91.03947	15.7
91.05482	3.4
93.07031	21.0
95.08594	44.9
97.02893	8.0
97.06530	7.2
97.10155	23.5
99.08069	1.4
106.00948	0.9
107.07887	1.1
107.08585	16.6
107.62484	1.0
109.10142	24.8
111.08070	6.4
111.11699	9.2
119.08591	1.2
121.10131	37.7
123.11671	8.6
125.09642	4.1
125.13208	1.7
127.03890	6.6
133.10138	1.5
135.11673	25.3
137.13235	3.0
139.11212	2.6
145.04924	8.6
149.13240	13.4
151.14815	4.0
153.12703	2.4
163.05991	11.3
163.14737	5.0
164.07249	1.0
165.16412	4.2
171.13770	1.8
177.16400	3.4
185.15303	1.3
191.17967	1.8
213.18427	1.3
247.24165	31.0
265.25241	90.2
278.11823	1.2
283.26273	20.6
339.28891	100.0
340.29181	2.3
357.29962	43.3
467.02603	1.1
501.34280	5.7
614.36688	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	681.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	0.6
55.05502	1.3
67.05488	1.7
68.05020	1.2
68.60715	0.5
69.03402	1.8
69.07052	1.5
70.06574	2.5
71.04958	0.8
71.14223	1.4
72.08129	0.7
77.32312	0.5
79.05471	1.4
81.03403	0.8
81.07037	2.8
82.06553	0.9
83.04958	0.7
83.08617	0.5
84.08134	1.8
85.02876	1.2
85.06464	0.7
86.09689	1.5
87.66348	0.5
91.05471	2.3
93.07034	1.8
94.06577	1.8
95.04955	1.6
95.08598	2.8
96.08134	0.6
99.04453	0.7
100.11250	0.7
103.05441	0.7
105.07009	2.6
107.04957	1.3
107.08566	2.0
108.08054	0.5
109.02893	0.7
109.06509	1.1
109.10147	1.6
110.06033	1.0
119.04957	0.7
119.08561	2.1
120.04408	0.6
120.08092	1.3
121.06475	1.1
121.10120	1.6
122.06026	2.4
124.07567	17.5
133.10126	1.7
134.06003	0.9
135.11656	0.7
136.07532	1.9
137.05986	2.6
137.09561	0.9
138.05498	0.9
138.09122	1.6
140.07054	2.7
140.10727	2.7
143.08551	0.8
144.04405	1.5
145.02853	0.7
145.10106	1.3
146.06000	6.9
147.04405	1.4
148.07555	0.9
150.05484	0.8
151.07535	0.9
151.83072	0.6
152.07047	2.6
153.05493	0.6
154.04953	1.3
155.16893	0.6
157.10210	0.6
159.11664	0.7
160.07680	0.8
161.09645	1.7
161.13251	1.1
162.05460	2.0
162.07610	1.0
163.03877	0.6
164.07059	1.2
164.10736	0.9
166.08649	3.1
167.07065	0.9
172.03908	10.9
173.04475	1.1
174.05490	4.1
176.06995	3.1
177.05489	2.2
177.07718	0.8
189.16328	1.3
190.04996	2.1
191.05614	1.2
192.06595	1.2
192.10165	1.3
194.08125	1.8
201.10077	0.7
202.08653	0.8
204.06523	21.7
205.06860	0.8
206.08112	6.8
207.06587	0.8
208.09700	1.4
212.09230	1.4
213.10159	0.7
215.11749	1.1
223.12338	1.2
224.09428	0.8
225.10168	5.4
226.10913	1.0
227.11763	1.1
229.09793	1.4
235.08670	1.4
236.09457	2.3
237.10194	5.4
238.10983	1.0
239.11787	1.6
240.12508	4.1
241.09627	1.6
241.13229	0.6
243.11261	5.6
244.11969	0.8
245.09187	1.1
249.10226	3.0
250.10910	2.2
251.11743	12.3
251.14366	0.7
252.09000	0.8
252.12369	1.1
253.09579	3.3
253.13623	0.8
257.09201	0.9
257.12811	0.9
259.10635	0.9
262.10895	0.8
263.11850	1.7
265.09692	8.9
265.12436	0.9
266.10367	1.6
267.11267	2.7
269.09155	0.8
269.12848	2.6
271.10812	1.9
271.14087	0.8
272.11633	0.7
277.09631	1.1
278.10477	2.2
279.07947	1.4
279.11218	14.5
280.11966	2.2
281.09457	0.8
281.12814	2.4
282.09760	0.8
283.10767	3.1
285.12277	4.1
287.10208	1.8
293.09213	5.6
293.12793	2.9
294.09921	1.8
294.13190	0.7
295.10724	1.9
296.11612	0.9
297.12296	13.0
298.12738	1.0
299.10294	2.0
299.13904	4.1
300.11041	2.3
301.11850	2.0
303.13315	18.0
304.13947	1.1
307.10730	3.6
308.11853	0.7
309.12292	4.0
310.12927	0.8
311.10272	1.9
311.13992	2.1
312.11078	3.3
313.11740	1.9
315.13535	2.8
317.11398	1.6
318.12088	4.7
318.15527	1.1
319.12637	1.1
319.16965	0.9
323.13928	1.0
324.11224	1.4
325.11758	22.1
326.12164	1.8
327.09586	0.9
327.13345	13.8
329.14908	11.5
335.10059	2.9
337.11899	1.6
339.13339	24.0
340.14047	4.7
345.14417	1.2
345.82779	0.7
346.15436	2.1
347.15894	1.9
353.11246	7.6
354.12213	0.8
357.14319	3.2
358.15530	1.1
367.12793	13.0
368.13599	5.7
369.14453	1.9
371.12628	1.8
372.13345	1.8
373.14108	1.9
374.15036	2.4
384.13242	0.8
385.13870	17.4
386.14801	3.5
387.11322	0.7
387.15692	2.8
388.16504	2.3
399.15527	11.3
400.16238	2.4
404.15854	1.0
406.17404	2.1
414.14566	2.2
415.15338	5.0
416.15906	7.7
430.17465	1.5
432.15271	1.4
433.16315	1.6
434.17004	1.9
446.17166	2.6
447.18237	1.4
456.15454	2.0
458.16605	0.6
460.14352	1.0
464.22131	0.8
466.23495	1.4
474.16376	6.3
475.17068	3.5
476.17981	2.0
492.21817	2.9
506.19052	1.5
524.23877	100.0
525.24292	5.3
531.22443	0.9
540.20251	1.2
557.23401	1.8
558.23456	3.4
581.23822	1.2
585.02222	0.6
599.24921	39.7
600.25116	2.0
613.23041	1.0
631.27594	11.1
632.27942	0.7
645.25757	0.6
649.27307	2.0
663.26031	1.7
681.27527	1.3
681.51233	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19276	0.4
53.94429	0.4
55.05478	0.8
57.07036	0.5
62.60160	0.4
65.03902	0.5
67.05460	0.8
68.04990	0.6
69.07006	0.6
69.32812	1.8
69.33241	1.9
70.06541	0.9
79.05446	0.9
81.06995	1.0
85.02862	0.6
91.05426	0.4
93.06993	1.2
94.06523	0.8
95.04926	0.6
96.08099	1.0
97.06500	0.4
99.04430	0.5
100.11193	1.5
105.06976	1.0
106.06470	0.7
107.08473	0.4
108.08068	0.8
120.04408	0.4
120.07999	0.5
121.10086	0.5
122.06013	2.2
124.07565	24.1
125.07852	0.5
128.07008	0.4
134.05952	0.6
135.07954	0.4
136.07497	0.6
137.05907	0.8
138.05504	0.4
138.09055	0.7
140.06995	0.4
140.10622	1.3
144.04449	0.8
144.08109	0.4
145.05193	0.4
146.05954	5.8
148.07530	1.1
152.07048	1.9
160.07480	0.6
162.05472	1.2
162.07536	0.4
166.08647	0.5
167.07056	0.5
172.02531	0.5
172.03908	6.0
173.04654	1.2
174.05464	7.7
176.07063	3.5
176.10704	0.7
182.15352	0.6
190.04947	1.8
191.05722	1.8
192.06412	1.3
194.08089	0.8
194.30449	0.4
197.10718	0.9
198.09177	0.6
199.08588	0.9
201.10178	0.6
204.06519	13.1
205.06920	0.5
206.08089	3.4
209.16341	0.5
210.14844	0.7
211.08672	0.9
211.23473	0.4
212.09308	0.5
213.10168	1.3
215.11726	1.9
221.10564	0.5
222.11444	0.5
223.08635	0.7
223.12257	1.0
224.09254	0.8
224.13060	0.5
225.10118	2.9
226.08548	0.9
226.10735	1.1
227.07990	0.5
227.11740	0.6
235.08611	1.5
235.12239	0.7
236.09328	1.5
237.10223	5.1
238.10895	1.6
239.11717	1.5
240.12450	0.9
241.09782	1.0
243.11244	8.5
245.12810	0.9
248.09219	0.6
249.10179	4.1
250.10957	3.0
251.07951	0.6
251.11760	11.1
252.08812	0.8
252.12405	1.6
253.09669	4.7
253.13263	0.8
254.10373	0.9
255.11163	1.2
256.12042	0.7
257.12796	0.6
261.10126	0.9
261.12534	0.5
262.10962	0.9
263.08228	0.6
263.11761	1.7
265.09674	13.2
265.12799	0.7
266.10535	2.0
267.11224	4.6
268.11823	0.7
269.09213	0.8
269.12793	4.9
270.09760	0.6
271.10706	1.4
271.14294	1.2
277.09778	2.8
277.12500	0.5
278.07092	0.6
278.10458	5.5
279.07672	2.6
279.11169	14.7
280.11929	4.7
281.09402	0.9
281.12653	2.0
282.09891	0.6
283.10788	2.6
284.11548	0.5
285.12277	8.0
287.10242	1.8
288.10953	0.6
289.09583	0.6
291.11084	0.7
293.09177	4.2
293.12796	5.8
294.09808	2.3
294.13156	0.4
295.10718	3.4
295.14377	2.5
296.11398	1.5
297.12280	15.7
298.12851	1.2
299.10208	1.5
299.13556	0.9
300.11160	0.7
301.11829	0.8
303.13315	25.1
304.13959	1.5
306.09732	0.9
307.10760	3.1
308.11514	0.8
309.08734	0.9
309.12195	5.3
311.10165	2.7
311.13882	2.1
312.10947	5.6
312.14359	0.8
313.11728	1.4
315.13376	3.6
316.10901	0.8
317.15308	0.5
318.15869	1.1
319.16788	1.0
323.10110	1.1
323.13858	1.3
324.11099	3.3
324.14465	0.8
325.11749	15.2
326.12418	1.3
327.13330	36.6
328.13824	1.6
329.11218	0.6
329.14917	7.2
329.18744	0.5
330.12256	1.0
330.15805	0.6
331.12906	1.1
332.13910	0.8
332.17538	0.6
333.14603	0.6
334.14670	0.8
335.10214	3.4
335.14456	0.5
336.10971	1.7
337.11725	4.0
339.13321	73.3
340.13885	5.1
341.14963	1.3
344.13885	1.1
345.14682	1.3
346.15436	2.2
347.16196	1.5
349.11960	0.5
352.10489	1.0
353.11185	6.9
355.12668	0.6
356.14008	0.8
357.14542	1.3
358.11624	0.9
358.15540	1.4
360.16980	1.8
367.12811	65.3
368.13538	11.7
369.14261	1.9
370.11536	0.7
371.12466	0.9
372.13324	2.9
373.14105	1.7
374.14743	2.1
382.11365	0.5
384.13214	1.3
385.13901	6.9
386.14844	3.9
387.15863	3.2
388.16519	3.4
398.14966	0.6
399.15424	15.6
400.16351	1.4
402.14108	0.7
402.18631	0.6
404.16068	1.3
405.16776	0.7
406.17633	2.3
412.16330	0.6
414.14304	3.6
415.15158	7.1
416.15881	10.8
416.20898	0.7
417.16388	0.9
418.17804	0.9
428.16000	1.0
429.16541	0.7
430.17386	2.2
432.15488	0.9
433.16235	2.8
434.16827	2.6
446.16995	3.0
447.17874	1.7
448.17950	0.7
451.21167	0.6
456.15552	1.7
457.16534	1.0
460.18915	1.0
464.21985	1.5
474.16464	7.9
475.17252	4.0
476.17935	1.7
492.21191	60.9
493.21661	2.8
506.19315	1.5
507.19678	1.1
510.22348	5.4
511.23013	0.5
524.23828	100.0
525.24023	4.4
540.18671	0.5
555.26501	0.4
557.23944	1.7
581.23975	1.5
599.24878	52.0
600.24896	2.8
617.25824	0.7
631.27515	5.9
680.51636	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78245	0.4
55.05478	0.5
56.43336	0.4
63.26880	0.4
66.03142	0.4
67.05470	0.7
68.04992	0.5
69.03381	0.6
69.06997	0.8
70.06545	0.7
70.97144	1.0
71.04952	0.5
72.08095	0.5
79.05446	0.9
81.03378	0.7
81.07037	0.8
85.02840	0.9
86.09662	0.5
91.05429	0.5
93.07002	0.9
94.06561	0.4
95.04910	0.5
95.08572	1.0
97.02808	0.4
97.06512	0.4
100.11214	0.8
105.06953	1.5
107.08543	1.3
109.06408	0.4
111.04408	0.8
119.04867	0.5
119.08533	0.8
121.06475	0.5
121.10123	0.9
122.05991	1.0
124.07574	4.3
127.96669	0.4
135.08017	0.5
136.07501	0.5
137.05920	0.9
138.09088	0.8
140.10664	1.1
145.10069	0.7
146.05945	1.0
147.04370	0.5
147.11649	0.4
148.07516	0.5
152.06964	1.2
154.04999	0.5
161.09581	0.8
164.06981	0.7
165.08957	0.5
166.08586	1.1
172.03828	1.2
174.05479	1.9
176.07068	0.7
177.05362	1.1
182.15382	0.9
190.04942	0.7
194.08044	1.6
199.08600	0.6
204.06480	2.2
206.08107	0.6
208.09627	0.5
210.14868	0.9
222.11311	0.5
223.12247	0.9
225.10173	0.9
226.10889	0.5
227.11687	0.6
235.08542	0.9
235.12175	0.7
236.09293	1.6
237.10132	3.0
238.10820	0.7
239.11702	1.0
240.12408	1.0
243.11177	0.9
248.09303	1.4
249.10199	6.3
250.10957	3.3
251.11740	9.0
252.12453	1.5
253.09610	2.6
253.13376	0.9
255.11046	0.6
261.10153	2.0
262.10922	1.8
263.11722	13.7
263.14468	0.9
264.08774	0.6
264.12332	1.9
265.09689	9.8
265.12866	0.9
266.10217	1.2
267.11160	2.9
269.12784	1.2
271.10699	0.7
277.09659	4.1
278.10529	3.5
279.07645	2.6
279.11188	15.0
280.11853	3.1
281.09351	0.7
281.12714	3.3
282.10208	0.9
282.13626	1.6
283.10696	0.8
285.12411	1.6
289.09689	1.3
290.10507	0.8
291.11234	6.3
292.11874	1.8
293.09088	4.1
293.12784	4.4
294.09830	1.8
294.13199	0.6
295.10696	5.9
295.14304	2.1
296.11365	1.3
297.12259	5.1
302.17178	0.5
303.07642	0.7
303.13306	4.7
306.09943	0.9
307.10785	4.7
308.11353	2.0
309.08710	1.0
309.12244	11.4
310.09250	0.5
310.12634	1.2
311.10156	1.9
311.13651	1.4
312.10886	6.3
313.11603	1.2
318.09766	1.1
323.10544	0.5
323.13828	10.1
324.10892	2.7
324.14481	1.2
325.11716	10.6
326.12338	0.9
327.13330	32.5
328.13702	1.5
329.14920	1.9
335.10199	4.8
336.10959	10.4
337.11734	5.6
339.13324	63.1
340.13806	4.4
341.14877	2.4
346.15421	0.6
349.11624	0.7
352.10349	1.0
353.11194	7.6
354.11884	0.9
357.14377	0.9
358.15268	0.6
367.12808	54.6
368.13531	19.3
368.18262	0.6
369.14240	7.8
369.18387	0.7
370.14954	1.3
373.13889	0.8
384.12747	0.5
385.09225	0.6
385.13828	4.0
386.14877	1.0
399.15421	12.4
400.15869	1.2
401.17062	0.9
415.15408	1.2
416.16034	2.2
433.16275	0.6
446.17206	0.7
456.15836	0.6
460.18555	1.5
462.20032	0.9
464.21625	1.2
474.16757	1.4
475.17047	1.0
489.18759	1.3
492.21207	60.7
493.21661	4.4
494.22681	1.5
510.22302	6.5
524.23828	100.0
525.24286	8.1
546.01379	0.5
599.24969	9.5
600.25171	0.6
613.26324	1.1
617.25580	0.8
631.26788	1.3
637.32422	0.5
649.28851	2.5
680.49329	0.5
681.29492	1.3
681.40161	0.5
681.49640	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.6
53.03936	1.6
55.05498	0.7
59.04985	0.9
60.04530	0.6
65.03927	0.9
67.05499	2.5
68.05038	0.5
69.03408	0.9
69.07056	2.6
70.06580	3.0
71.04974	0.6
71.17250	1.2
72.08156	1.2
73.02895	0.6
77.03916	0.8
79.05478	2.4
80.05002	0.7
81.03408	1.3
81.07023	1.3
82.06552	1.0
83.04940	1.3
84.08131	5.0
85.02882	1.2
85.06532	0.6
86.06060	0.8
86.09686	1.7
89.06029	1.6
91.05460	7.5
93.07024	8.2
94.06536	3.1
94.17103	0.5
95.04926	3.6
95.08579	1.3
96.04488	1.0
97.06511	1.4
100.07595	0.6
105.07003	1.7
106.06547	1.1
107.04970	0.8
107.08601	1.2
108.08104	3.3
109.02884	0.7
109.06510	1.6
110.06030	1.7
111.04398	0.7
111.08060	6.1
115.05453	0.6
116.10731	0.9
117.05525	0.8
117.07022	1.1
119.04982	0.8
119.07381	0.7
119.08556	1.6
120.04443	1.7
120.08109	1.5
121.06475	1.4
121.10102	0.6
122.02390	0.9
122.06001	5.0
122.09702	0.6
123.04485	0.7
123.08100	0.5
124.07619	1.4
125.05939	0.5
125.09644	0.6
126.09218	0.5
127.03892	0.6
129.79813	0.5
130.06541	1.1
130.08627	2.6
131.08548	0.6
132.08044	1.3
133.08592	1.4
133.10136	0.7
134.06009	2.4
134.09633	6.6
135.08049	3.4
136.07535	7.1
137.02399	0.8
137.05966	2.5
138.05513	2.5
138.09105	2.8
139.07571	0.9
140.03387	3.1
140.07034	5.0
142.08643	0.6
144.08043	1.1
145.02827	0.7
145.07578	0.7
146.05975	1.9
146.08250	0.6
146.09592	0.8
147.04391	1.1
147.06746	1.0
148.03909	1.4
148.07538	1.0
150.05460	1.8
150.09166	1.2
152.07091	1.8
152.10629	4.3
154.04984	2.3
154.08621	1.7
156.06573	1.5
158.06044	1.0
158.09532	0.6
159.09140	1.0
159.11728	0.7
160.07579	1.7
161.09651	0.9
162.05499	2.0
162.09103	34.2
163.07524	3.3
164.03391	0.9
164.07062	1.2
164.10664	0.6
165.09087	0.9
166.04944	1.2
166.08624	1.3
170.09634	0.8
172.03931	1.3
172.07599	0.9
174.09082	0.9
176.03403	1.0
176.07089	0.6
177.05405	1.0
177.11279	0.7
178.04889	0.8
178.08588	1.2
180.06654	1.1
180.10156	27.2
181.10298	0.5
182.08221	0.7
183.09172	0.7
184.07593	1.0
185.07086	1.1
186.07759	0.7
186.09253	0.7
187.12404	0.8
189.10246	1.1
190.05014	2.2
190.08629	5.4
196.07596	0.6
197.07166	0.6
197.10735	0.8
198.09251	1.1
199.08578	3.7
200.07095	0.7
201.10191	2.1
202.08586	0.8
204.06566	1.9
204.10208	1.0
206.04390	1.5
206.08089	2.9
207.06465	1.6
207.09039	0.9
208.09644	67.5
209.10344	0.9
210.09163	0.8
211.08585	1.4
212.09271	1.3
212.16461	1.2
213.10098	4.5
213.16759	0.8
214.08762	1.0
214.10916	1.0
215.08160	1.2
215.11844	5.3
216.10411	0.6
217.09721	0.6
220.09686	0.8
222.07674	0.9
222.11290	0.9
224.09381	0.6
225.10213	2.2
227.08170	2.3
227.11813	2.2
228.06630	0.9
228.10281	0.9
229.09669	1.5
230.17542	0.7
231.11227	1.6
231.17885	0.6
232.09689	0.9
236.09566	0.6
237.10228	2.8
238.08595	1.7
238.10982	1.1
239.08176	1.3
239.11842	1.6
240.10388	0.8
241.09718	2.9
242.08069	0.7
243.11258	17.9
245.09213	0.9
249.10120	0.9
250.07307	0.9
250.10820	0.7
251.08159	1.3
251.11824	0.9
252.08859	1.5
253.09709	2.8
255.07578	0.8
255.11270	3.6
256.09717	1.3
256.12158	0.9
257.09192	1.3
257.12885	2.2
259.10715	6.7
262.11142	0.7
263.11795	0.9
265.09637	5.6
266.08142	0.7
267.11261	6.1
269.09180	2.4
270.07620	1.3
273.08612	0.6
273.12292	3.6
274.13104	2.1
277.09647	1.8
279.11026	1.0
281.09189	1.3
283.10699	6.7
284.09186	2.3
285.09119	1.2
285.12271	28.9
287.10147	6.9
293.09094	10.3
293.11862	0.8
294.09851	1.0
295.10748	2.0
297.12201	1.3
299.10403	0.8
301.11832	9.9
302.12689	2.5
303.13354	25.0
304.13873	0.9
306.12604	1.2
309.12149	1.3
311.10236	12.5
311.13446	0.5
312.08398	5.0
312.69678	0.6
313.11838	2.3
315.13763	1.1
316.11343	1.4
317.11615	1.0
318.12326	1.1
319.12885	8.1
320.13806	0.9
325.11932	3.0
329.11276	6.7
330.09375	6.1
331.13574	0.8
332.13931	1.2
333.11203	0.7
334.11765	1.6
335.13077	0.6
336.13477	2.8
337.11212	1.1
337.14270	1.6
339.13416	0.8
341.11386	0.9
343.12930	4.4
344.10818	3.9
345.11298	1.1
346.11832	1.8
347.12338	10.5
347.16122	1.1
348.13257	1.3
350.15012	0.7
353.11310	1.6
358.11935	1.1
359.13364	0.9
360.13379	1.8
361.13989	7.9
362.11124	0.7
362.15015	1.5
363.12094	0.9
364.12738	1.0
370.11765	1.1
372.13470	0.9
373.14072	0.7
374.15317	0.7
375.12717	0.8
376.13007	2.5
378.14618	2.5
380.12161	0.9
381.10773	1.5
383.12296	1.1
384.13507	1.3
386.15021	1.6
387.12891	0.8
388.12921	3.1
389.13913	1.7
390.14621	0.8
394.14026	1.3
402.14258	1.3
404.12054	5.5
405.13150	2.1
406.13727	6.4
413.70407	1.3
414.14484	1.9
415.14200	1.0
416.16379	0.8
418.13620	0.8
420.15164	0.7
422.13367	5.1
423.14059	1.3
424.14868	9.2
428.16339	1.0
430.13892	1.9
432.15698	2.4
433.32587	0.9
441.15552	0.7
442.15137	1.2
444.15482	0.9
446.17059	0.7
448.15363	0.7
450.16742	0.7
454.16193	1.2
456.17740	3.7
458.13553	2.3
462.16693	1.2
470.13571	0.8
472.15036	1.3
474.16757	3.3
476.14288	1.1
488.14545	1.3
490.15836	3.4
491.16785	0.8
492.17526	5.9
493.18533	0.8
510.18790	0.8
520.16968	0.8
522.18933	1.2
523.21649	0.7
524.20264	4.6
535.19543	0.7
549.20715	0.9
551.22510	1.0
568.20624	0.9
569.24298	1.1
577.20935	1.7
585.23657	0.9
587.24713	3.2
589.23645	0.9
595.21558	6.6
596.21021	0.7
613.22815	23.2
614.21344	3.1
627.24402	2.5
631.23822	100.0
632.24042	5.5
645.25391	10.8
649.25018	11.3
663.26410	29.5
663.37561	0.8
664.26068	1.5
681.27106	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	681.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.5
55.05487	0.5
56.05005	0.4
65.03918	0.2
67.05462	0.6
69.07024	0.8
70.06557	0.6
70.80544	0.6
79.05447	0.2
81.07011	0.3
82.06531	0.3
84.07692	0.3
84.08131	3.1
85.02885	0.3
86.09659	0.3
93.05756	0.2
93.07010	0.3
94.06563	2.2
95.04933	0.6
97.06493	1.0
106.06533	0.3
108.04428	0.7
108.08041	0.3
109.06445	0.3
110.06007	1.3
110.48297	0.2
112.07566	0.7
116.04948	0.5
117.05401	0.3
118.06443	0.3
118.97357	0.3
120.08013	0.4
121.06454	0.2
122.05154	0.5
122.06007	8.1
123.04399	0.3
124.07547	0.9
130.08614	2.9
134.05959	0.5
135.07913	0.2
136.07545	1.1
137.05942	0.3
138.05455	0.6
140.07039	7.1
142.08659	0.3
143.08484	0.3
144.04366	0.9
146.05978	4.1
148.07516	0.4
149.07083	0.7
150.05458	1.8
152.07047	2.1
152.10776	0.3
158.09581	0.8
160.07568	1.2
162.05507	1.2
162.09105	0.8
164.07022	0.8
166.08560	0.2
170.09575	0.6
172.03900	7.3
172.07494	0.6
172.11200	0.4
173.04709	0.5
173.08234	0.2
173.10704	0.4
174.05481	2.7
174.09039	0.5
175.08618	0.7
175.12259	0.8
177.06622	0.3
178.04967	0.5
180.10133	0.4
184.07495	0.4
186.09123	4.2
187.08611	1.0
188.06999	0.5
188.09363	0.6
190.04976	0.4
190.08481	0.3
191.05681	0.5
192.06541	0.3
196.07544	0.8
198.09106	0.8
199.08609	0.2
200.07050	0.5
200.10741	1.6
201.10219	0.7
202.08618	0.7
202.10939	1.9
203.08302	0.2
203.11755	5.6
204.06528	11.4
206.08084	4.4
208.09628	1.4
210.09087	0.5
212.07318	0.2
212.09245	0.5
213.10202	2.5
214.08603	9.4
214.10654	0.4
215.08112	5.2
215.11740	0.4
216.08745	0.6
217.09601	1.1
218.10416	0.3
227.08054	0.5
227.11557	1.3
228.10164	4.2
228.12303	0.5
229.09641	2.0
229.13190	0.3
230.10402	0.9
231.11237	6.5
238.08537	0.3
239.07996	0.4
239.11674	0.4
240.08774	0.4
241.09625	2.3
242.08130	2.2
243.11195	0.6
245.09154	1.0
245.12823	1.0
246.09909	0.4
247.10696	1.3
255.11214	5.0
256.09634	2.9
257.09207	0.9
257.12790	1.7
258.09973	0.7
259.10730	81.3
260.11081	1.5
271.10773	0.5
272.11380	0.3
273.12283	6.6
275.10287	0.4
283.10706	3.6
284.09009	0.4
285.09238	0.3
285.12354	1.0
287.10190	0.8
295.10953	0.2
299.10135	0.3
300.10962	0.3
301.11777	69.4
302.12146	1.5
303.13318	0.4
311.10394	0.3
313.11786	4.8
317.11346	0.6
318.12091	0.4
319.12820	100.0
320.13141	3.0
329.11328	0.4
331.12811	1.2
335.12549	1.1
336.13159	0.3
337.13879	40.5
338.14545	1.1
338.17761	0.2
345.10568	0.4
345.14407	5.1
347.15903	0.3
363.15747	0.3
371.12476	0.5
373.13748	0.4
433.32813	0.3
474.17633	0.4
492.17438	0.3
508.17242	0.3
524.19781	0.4
546.99225	0.3
595.51935	0.2
613.23212	0.4
631.24054	1.1
645.25043	0.4
649.24597	0.9
663.26691	1.1
681.27606	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.6
65.03935	0.3
67.05477	0.7
67.89974	0.3
68.04990	0.3
69.03420	0.3
69.07034	1.2
69.34723	2.6
70.06551	0.5
79.05454	0.4
80.04985	0.4
84.08106	1.0
94.06551	3.4
95.04922	0.4
96.04459	0.3
97.06484	0.9
104.04995	0.3
104.20491	0.2
108.04440	0.6
108.08070	0.4
110.05994	1.2
111.10878	0.2
112.07571	0.9
116.04930	0.4
122.06001	9.8
123.04394	0.4
124.07587	0.5
133.28108	0.3
136.07545	0.8
138.05423	0.4
140.07031	12.3
141.07813	0.3
144.04482	1.3
144.08104	0.3
146.05978	5.6
148.07483	0.5
149.07039	0.5
150.05496	1.8
152.07065	1.9
158.05981	0.3
158.09523	0.6
160.07544	1.3
160.09772	0.3
162.05473	1.0
164.07022	0.7
170.09659	0.6
172.03897	9.8
172.07509	0.6
173.04607	0.9
173.08412	0.3
174.05475	4.8
174.09036	0.6
175.08597	0.6
175.12262	0.9
178.04979	0.3
178.08530	0.6
184.07506	0.5
185.08295	0.4
186.09097	3.8
187.08635	1.6
188.07030	0.4
188.09390	0.7
189.10219	0.4
190.04945	0.7
191.05716	0.8
196.07574	0.8
198.09090	0.7
200.06912	0.4
200.10713	1.3
201.10172	0.9
202.08650	0.6
202.10947	2.0
203.08157	0.4
203.11766	4.9
204.06517	18.5
205.07217	0.3
206.08081	7.0
210.09087	0.4
212.09285	0.4
213.10255	1.9
214.08597	8.6
215.08095	4.7
216.08603	0.5
217.09607	1.3
227.07935	0.4
227.11685	1.2
228.10156	3.6
229.09695	2.7
230.10381	1.2
231.11240	5.6
238.08606	0.4
240.08717	0.4
241.09683	2.0
242.08052	2.0
243.11278	0.8
245.09149	2.1
245.12836	0.8
247.10754	1.5
255.11256	5.2
256.09592	2.8
256.11865	0.3
257.09186	0.6
257.12708	1.2
258.09949	0.5
259.10721	76.1
260.11075	1.7
267.11209	0.3
271.10834	1.9
273.12292	6.7
275.10205	0.4
283.10709	4.0
285.12268	0.8
287.10123	1.5
289.11536	0.5
299.10379	0.5
300.11978	0.5
301.11761	67.2
302.12189	1.7
305.11353	0.5
313.08231	0.6
313.11734	8.5
314.12076	0.3
318.12103	0.3
319.12808	100.0
320.13144	3.0
331.12857	2.3
335.12314	1.4
336.13031	0.4
337.13855	33.4
338.14160	0.9
345.14346	8.9
346.14407	0.4
348.67154	0.3
363.15479	0.6
433.32941	0.3
505.18359	0.9
508.17276	0.5
523.19312	0.7
624.67249	0.3
631.24298	0.3
645.25159	1.0
663.26477	4.6
681.27234	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.5084
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45295	0.5
53.03933	1.1
55.01628	0.6
55.01852	3.6
55.05508	6.5
57.03422	2.1
57.07071	19.9
57.45734	0.6
59.45301	0.6
65.03954	0.7
67.05495	15.3
67.26752	0.6
69.03419	0.8
69.07054	8.5
71.08602	1.7
71.26345	1.1
79.05486	7.3
81.07045	36.6
83.04961	1.9
83.08606	3.7
85.06523	0.9
85.10181	0.7
91.05474	5.3
91.78983	0.6
93.07027	7.0
95.04968	1.2
95.08592	14.9
96.92099	0.7
97.06508	2.2
97.10143	2.3
105.06979	4.2
107.08585	6.6
109.06502	9.2
109.10138	6.3
111.04428	14.1
111.08053	1.3
115.51810	0.7
117.07025	1.2
119.08566	5.6
121.10126	6.4
123.08048	2.0
123.11697	3.2
125.05972	3.5
125.09618	0.7
131.08540	1.9
133.10109	5.2
135.08017	2.5
135.11681	4.3
137.05957	100.0
137.13240	1.6
138.06285	1.9
139.07568	0.7
141.85567	0.6
143.08514	1.2
145.10089	1.3
147.08008	0.9
147.11664	9.5
149.09578	3.8
149.13342	1.4
151.07501	2.6
151.11124	1.8
157.10107	1.8
159.11688	1.1
160.08904	0.6
161.09567	5.4
161.13266	2.9
163.11203	2.1
163.14790	0.7
165.09120	2.4
167.10629	0.9
175.11166	4.2
175.14804	1.6
177.16315	0.6
179.10695	1.7
189.12724	1.3
193.12212	1.3
203.17947	5.9
213.16425	2.6
214.26883	0.6
221.18962	1.5
231.17381	6.4
241.15787	0.9
249.18434	4.6
251.04671	5.3
277.17969	33.0
278.18414	1.3
289.27423	0.6
295.19016	11.4
307.10928	0.8
327.07758	34.4
327.45847	0.7
328.08170	2.0
337.23254	1.1
337.27301	19.2
338.27759	1.1
351.21600	13.7
383.13995	19.1
383.24323	2.3
384.14417	1.5
439.20282	31.9
440.20538	2.6
495.26532	29.8
496.26843	2.7
551.32806	11.5
552.32898	1.4
607.28735	0.8
607.38971	30.2
608.39496	4.3
613.44519	57.5
614.44794	6.1
614.61945	0.7
631.45618	1.1
645.47046	10.0
646.47644	1.3
663.45258	24.7
664.45361	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	680.4358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	1.0
55.05496	6.1
57.03429	0.8
57.07075	2.1
59.04995	1.7
62.06087	1.1
67.05502	3.6
69.03429	2.1
69.07066	1.3
71.04987	1.9
71.08629	2.1
71.53481	1.4
79.05461	4.9
81.03407	0.9
81.07037	5.0
83.04962	5.9
83.08604	39.6
85.02929	1.5
85.06564	1.2
85.10185	1.2
87.04452	1.3
89.06018	5.7
91.05496	3.5
93.07019	3.8
95.04976	1.2
95.08591	6.1
97.02877	15.1
97.03427	1.1
97.06544	2.3
97.63279	0.7
99.04425	4.4
99.08142	1.1
105.07009	5.4
107.04945	1.4
107.08575	52.6
108.08916	1.4
109.06514	1.7
109.10159	4.2
111.08092	1.0
117.07030	1.7
119.08554	10.4
120.08876	1.0
121.06507	1.1
121.10114	6.2
123.08090	2.5
125.06018	3.1
125.09608	46.5
130.08659	2.7
131.08554	1.1
133.08572	3.8
133.10170	3.2
135.11647	8.3
137.09601	4.5
137.13239	0.7
137.25684	0.6
139.07550	1.8
142.88503	0.8
145.10109	4.8
147.08043	6.1
147.11754	1.6
153.12733	6.2
159.11667	8.8
161.09564	1.1
163.07437	0.9
163.11154	12.6
163.14774	0.8
165.09091	13.0
177.11308	1.4
177.12773	4.6
181.12199	31.0
187.11244	2.0
187.14793	1.9
195.13809	3.1
199.20642	0.8
205.12207	19.9
205.15857	1.8
206.12637	0.8
210.20728	0.8
223.13246	100.0
224.13663	2.8
247.13268	1.0
282.46515	0.8
672.76691	0.9
680.43573	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	680.479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	4.7
55.05499	5.6
57.03416	2.4
57.06784	2.6
57.07068	47.8
67.05502	17.4
69.07054	8.9
69.27232	1.3
71.08628	1.5
71.13029	2.0
79.05470	6.4
81.07049	33.4
83.04963	2.6
83.08606	5.1
84.08110	1.4
90.22053	1.2
91.05459	10.5
93.07022	9.2
95.08599	17.0
98.20696	1.2
105.07018	4.9
107.08603	6.3
109.06500	9.2
109.10159	8.2
111.04443	13.1
119.08556	5.8
121.10114	4.6
123.11697	3.5
125.05990	4.2
131.08525	1.8
133.10126	4.2
135.08029	2.3
135.11717	5.7
137.05959	100.0
137.13206	3.0
143.08553	1.5
145.10080	2.3
147.11673	14.5
147.69899	1.2
149.09593	3.9
151.07521	3.0
153.06972	2.0
157.10071	1.6
159.11682	1.7
161.09648	6.0
161.13255	2.1
163.11150	3.3
171.11685	1.3
172.90968	1.1
173.13307	1.3
175.11169	4.9
175.14815	1.8
179.10661	1.8
203.17870	6.0
205.19662	1.5
213.16370	2.4
221.19054	1.9
228.21535	1.2
231.17369	6.0
233.03560	2.7
249.18446	4.9
251.04590	11.7
264.86292	1.2
277.17960	40.2
278.18283	1.7
292.69263	1.5
295.18945	11.2
307.10904	1.9
327.07761	88.4
328.08167	2.5
337.27325	28.6
351.21594	21.6
368.10452	1.3
383.14044	51.8
383.24158	4.4
439.20273	84.0
440.20377	2.0
491.37161	2.2
495.26501	74.1
496.26947	2.6
551.32745	40.1
567.32977	1.4
567.81799	1.3
607.39008	95.3
608.39374	3.1
613.44543	80.4
614.44196	2.0
631.45221	1.3
645.47028	15.4
663.45251	92.5
664.45245	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	679.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.0
53.15736	1.0
55.01862	1.0
55.05261	1.4
55.05505	19.5
56.78097	0.8
57.03434	8.2
57.07067	11.4
61.02917	18.7
62.22756	1.0
62.64024	1.3
65.03926	2.1
67.05494	75.2
68.05831	1.3
69.03408	3.4
69.07056	25.9
70.36028	3.6
71.04973	3.5
71.08620	7.7
73.02903	7.8
75.04470	1.9
79.05478	23.8
81.03419	1.6
81.07043	93.6
82.07380	1.1
83.04962	2.1
83.08614	21.6
84.08124	1.1
85.02892	19.2
85.06547	2.0
85.10161	3.3
91.03943	17.8
91.05460	16.8
93.07034	25.8
95.04898	1.9
95.08592	81.6
96.08898	1.8
97.02872	10.0
97.06505	9.3
97.10158	13.9
98.20765	1.0
99.04397	2.1
99.08041	4.7
100.11223	1.1
105.07014	12.1
107.08577	19.0
109.06499	2.3
109.10139	42.9
111.08089	5.0
111.11716	5.5
113.09654	3.3
115.03908	2.1
117.06998	1.1
119.08559	14.8
121.10127	23.0
122.10519	1.5
123.08052	1.3
123.11684	21.7
125.09626	2.6
125.13255	1.2
127.03906	7.5
127.11303	1.9
133.10120	17.0
134.10410	1.2
135.11676	14.2
137.09651	2.6
137.13239	8.7
139.14810	1.3
141.12729	3.6
145.04919	8.5
145.10150	1.2
147.11653	10.7
149.02370	1.3
149.13232	10.1
151.11182	2.1
151.14799	8.4
153.12738	1.7
153.47758	1.0
155.14272	4.9
161.13242	15.4
163.06000	13.5
163.14784	11.2
165.12839	1.5
165.16379	9.2
167.14325	1.4
175.14799	11.6
176.30016	1.0
177.16423	2.7
179.14331	2.2
179.17967	7.1
181.15837	1.2
189.16330	5.0
193.05008	1.4
193.15915	1.4
203.17903	2.2
207.17442	1.4
217.19521	2.3
219.21129	1.3
235.21552	1.0
245.22614	66.6
246.22995	3.5
256.26334	1.0
263.23660	100.0
264.23975	4.6
265.25183	1.9
281.24652	2.5
337.27316	69.1
338.27664	3.5
339.78052	1.0
355.28391	10.1
389.26578	1.1
401.22330	0.9
463.30392	1.1
481.31439	2.0
499.32614	8.6
679.54572	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	680.384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.7
55.01859	0.9
55.05501	10.4
57.03428	7.3
57.07057	2.4
59.04975	0.8
59.14043	0.6
61.02916	24.8
61.45731	0.8
61.73367	0.7
65.03898	1.8
67.05494	53.6
68.05762	0.7
69.03425	3.7
69.07056	10.9
70.65849	2.4
71.04971	3.3
71.08619	0.9
73.02905	10.2
75.04465	1.4
77.03899	0.8
79.05482	33.5
81.03407	2.0
81.07043	65.7
82.07343	0.9
83.04959	2.8
83.08609	7.5
85.02892	31.9
85.06504	3.0
89.16188	0.9
91.03939	28.6
91.05463	20.2
93.07026	46.9
95.04937	2.3
95.08591	65.3
96.08925	1.6
97.02877	15.5
97.06501	3.1
97.10130	4.3
99.04418	1.7
99.08078	3.0
105.04481	0.9
105.07008	17.8
107.08573	36.6
108.08921	1.3
109.06480	2.1
109.10139	39.4
111.08060	2.0
115.03880	2.0
117.07007	7.4
119.07687	1.0
119.08553	17.5
121.06493	0.8
121.10122	37.9
122.10432	1.0
123.08057	1.6
123.11679	14.9
125.09590	1.8
127.03893	10.1
129.05447	0.9
131.08551	16.5
133.09105	1.2
133.10101	17.2
135.11668	31.6
135.12721	1.6
136.12010	0.8
137.09587	3.6
137.13237	4.6
139.11140	3.2
145.04942	13.5
145.09048	1.4
145.10100	18.9
147.08041	1.0
147.11659	15.6
149.09590	1.3
149.13235	24.6
151.11186	3.7
151.14833	1.7
153.12730	1.7
159.11650	17.9
161.13219	5.8
163.05988	21.4
163.14810	9.1
165.12701	3.5
173.13235	13.2
175.14809	1.3
177.12671	2.2
187.14801	6.4
191.14275	2.2
201.16309	3.1
203.17882	1.2
205.15839	1.4
209.15326	1.1
219.21014	3.9
229.14337	1.2
229.19478	42.9
230.19861	1.2
243.15839	1.3
247.20529	100.0
248.20851	4.3
249.22125	1.5
265.21579	5.6
295.15359	0.9
303.23196	1.0
321.24191	38.4
322.24420	1.6
339.25244	71.1
340.25626	3.6
391.24472	0.9
483.29495	7.1
567.13934	0.9
616.80658	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.9
55.01861	5.8
55.05493	9.4
57.03401	2.5
59.04995	4.6
65.03924	3.4
66.06457	1.8
67.05491	12.3
68.42057	2.0
69.03418	7.4
69.07048	13.9
69.71037	12.3
70.06582	18.9
71.04984	3.3
72.08145	3.2
73.02902	24.1
79.05483	10.1
80.04983	4.6
81.03396	6.6
81.07028	11.6
82.06567	4.6
83.04971	5.1
83.08606	8.0
84.04488	5.8
84.08122	14.7
85.02898	12.9
85.06520	2.2
86.09682	8.3
87.04405	2.5
89.06007	3.8
91.05453	13.1
93.07022	14.7
94.06546	20.5
95.04965	12.9
95.07336	3.3
95.08627	11.7
96.04481	3.7
96.08109	9.8
96.08688	2.2
97.02911	2.9
97.06512	5.2
99.04432	5.3
100.07589	4.4
100.11246	32.4
103.03923	3.4
103.05451	3.8
105.07004	10.3
106.06544	6.6
107.04908	4.8
107.08583	9.6
108.08086	12.2
109.02866	3.7
109.06477	4.0
109.10137	5.9
110.06018	4.5
110.07113	3.4
110.09663	16.2
111.04435	7.2
111.08041	3.8
112.07587	5.6
113.05998	5.4
117.03407	2.3
117.05502	2.3
117.07030	2.6
118.06498	2.9
119.04948	3.3
119.08553	8.2
120.04440	4.1
120.08073	17.7
121.06455	3.3
121.10117	7.2
122.02721	2.4
122.05994	33.4
123.04375	5.1
123.11669	2.9
124.03931	9.3
124.07563	16.2
125.05923	3.3
126.09111	3.2
127.03897	4.6
128.07060	3.3
129.06915	2.8
129.10219	2.6
130.08624	7.5
131.04903	3.1
131.07019	9.2
132.07314	3.2
133.06427	3.0
133.08653	2.3
133.10110	7.6
134.05969	4.9
135.08072	3.6
135.11639	3.2
136.07556	17.9
137.05963	14.0
138.05466	3.9
138.09126	24.6
140.07040	59.4
141.01817	2.1
143.08485	2.3
144.04424	6.7
145.02802	4.6
145.04906	2.7
145.10106	6.1
146.05997	36.2
146.08098	2.5
147.04413	5.5
147.07838	3.5
147.11557	5.3
147.95604	2.0
148.07530	10.8
150.05434	2.8
150.09106	5.4
151.06262	2.7
151.07483	2.6
152.07022	51.0
153.05478	3.1
154.04984	6.2
154.08601	3.6
159.11604	2.7
160.03943	2.8
160.07632	3.4
161.05936	3.3
161.09570	5.6
162.05469	7.2
162.07610	10.5
162.08995	3.8
163.07526	3.1
163.11160	2.2
164.07028	11.1
165.09128	3.0
166.08614	87.3
167.06990	3.1
168.06554	3.5
172.03885	53.5
173.04633	4.0
173.09505	3.0
173.13194	3.1
174.05460	19.6
175.03912	2.7
176.07085	4.5
177.05482	7.7
179.07005	4.4
179.10715	2.9
181.58427	2.1
182.15375	10.7
190.04971	12.4
191.05658	3.4
192.06639	6.4
194.08081	48.6
197.10825	2.3
198.09109	2.2
204.06520	100.0
205.06975	3.4
206.04533	2.7
206.08055	29.7
207.06503	5.1
208.09645	4.9
209.10458	2.3
209.16487	8.4
210.11475	2.9
210.14838	15.5
211.08678	3.4
211.12254	6.6
212.09135	50.7
212.10992	3.4
213.10246	2.7
218.08038	3.4
223.12312	3.9
225.10260	6.5
226.10974	6.5
227.08145	2.4
227.11780	7.1
233.15465	3.3
235.08626	4.6
236.09370	4.0
237.10225	11.3
238.10931	6.9
239.08095	3.6
239.11797	16.8
240.12578	2.5
241.09691	3.0
243.11288	19.1
248.09398	4.2
249.10176	10.4
250.10869	5.9
251.08052	4.3
251.11783	11.6
252.12555	4.2
253.09679	4.2
253.13335	2.3
255.11215	8.1
257.12833	5.9
263.11716	21.4
264.08875	2.4
264.12469	5.1
265.09732	9.2
265.13132	12.5
266.10446	3.8
267.11179	18.8
268.11835	2.8
269.12848	8.6
271.10745	4.4
271.14270	3.6
273.12238	3.3
277.09689	5.7
278.10501	5.1
279.11243	27.2
280.11792	5.0
281.09241	7.2
281.12836	13.7
283.10727	4.0
284.11548	5.5
285.09067	3.3
285.12262	42.7
287.13855	4.2
291.11203	18.3
292.11914	3.3
293.09283	5.9
293.12796	20.1
295.10635	13.9
296.11536	3.8
297.12268	43.7
298.13251	5.2
299.10449	3.3
299.13763	19.7
301.11777	4.1
303.13382	30.7
305.14993	2.8
307.10562	3.8
308.11420	2.1
309.12222	20.6
311.10178	6.5
311.13861	10.1
313.11761	36.0
315.13336	19.9
317.11331	2.2
317.15036	2.9
319.10541	13.3
321.12244	3.7
323.10172	8.5
323.16245	3.6
324.10788	5.2
325.11743	23.3
327.13278	9.9
331.12708	13.1
336.22772	2.7
337.11728	55.5
338.12192	3.8
339.09616	7.1
339.13269	12.4
341.11301	14.8
343.12967	5.6
345.14380	44.3
353.11295	4.1
355.12732	5.9
356.13666	5.6
357.14316	6.6
358.15524	2.7
359.12311	3.7
363.15494	4.6
367.12689	5.9
369.14618	5.9
370.15781	3.0
371.12460	7.8
373.13831	39.9
374.14615	4.0
385.14026	5.7
399.15598	9.6
400.16385	2.7
401.13446	5.9
416.15936	5.8
418.17334	3.9
430.17844	5.4
448.18414	2.9
450.20255	6.7
462.20016	6.1
464.21985	43.4
476.18057	5.2
478.19806	2.2
480.17511	6.0
482.18896	12.0
490.19812	67.9
496.20508	8.9
506.19348	4.5
508.20728	13.6
514.22125	4.3
522.22412	70.9
523.23346	5.2
526.21674	8.0
532.22858	3.1
597.22919	3.0
611.24353	9.3
615.24341	4.4
629.25970	17.6
643.27051	4.6
647.26904	38.5
661.27094	5.2
661.49347	3.1
679.30878	10.4
679.50879	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	679.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
70.46268	1.7
70.73682	0.5
71.04948	0.6
71.36649	0.4
81.07013	1.1
85.02860	0.6
86.09665	0.7
91.05396	0.9
93.06976	1.0
94.06541	0.8
95.04939	0.5
95.08565	0.8
96.36090	0.5
97.02791	0.6
101.05946	0.7
105.07001	1.2
107.08565	0.7
119.08543	1.1
121.10086	0.7
122.05981	1.2
124.07539	0.7
129.97261	0.4
133.10078	0.9
140.06981	0.7
152.07053	1.2
160.07547	0.5
162.07570	1.4
168.75797	0.5
172.07440	0.5
177.05412	0.8
179.57564	0.5
194.08105	1.9
208.09573	0.7
209.10623	0.6
211.12173	0.6
221.10732	0.8
223.12302	0.6
225.10106	0.7
235.08513	2.0
236.09442	0.9
237.10112	3.1
238.10690	0.5
239.11679	0.7
249.10185	12.6
250.10939	4.9
251.08122	0.9
251.11749	7.6
252.12454	1.2
253.09550	0.7
255.11365	0.5
261.10184	1.4
263.08066	1.4
263.11679	1.6
264.08826	2.3
264.12561	0.9
265.09674	8.9
265.12799	0.9
266.10147	0.7
267.11264	0.8
268.11981	0.5
275.77496	0.5
277.09662	8.1
278.10434	10.3
279.07587	8.7
279.11203	17.2
279.14352	0.9
280.11847	1.5
281.09128	1.8
281.12704	0.7
282.09863	1.4
283.10605	0.6
285.12161	0.5
291.11426	1.1
292.08438	1.3
292.11768	0.8
293.09271	2.1
293.12720	20.2
294.13141	0.6
295.10696	1.9
295.14136	0.7
296.11505	1.2
297.12225	2.9
298.12994	0.6
305.09152	6.6
306.09921	2.1
307.10699	9.1
308.11411	0.7
309.08731	1.2
309.12289	5.6
310.09384	1.7
310.13110	1.3
311.10168	5.1
311.13791	2.5
313.15341	1.1
317.11133	1.1
321.12158	1.4
322.12961	1.5
323.10190	4.5
323.13812	0.9
324.10895	2.2
324.14536	0.8
325.11819	11.7
326.12534	1.8
326.16266	1.0
328.10806	0.8
329.11472	1.3
330.12372	0.7
333.08572	7.7
334.09048	0.7
337.11920	1.3
338.12439	3.9
339.13324	39.7
340.14050	2.2
341.11514	0.5
342.12000	0.9
343.13065	1.2
344.13824	2.1
349.12149	0.5
351.09680	17.5
352.10300	2.8
352.14276	0.7
353.11002	0.8
353.14957	11.8
354.15891	0.8
355.12848	2.3
355.16895	0.9
356.13855	2.5
357.14471	2.0
358.15292	1.7
366.12033	25.0
367.12793	13.2
368.13693	1.5
369.14441	7.6
370.11597	0.8
370.15680	0.8
371.11856	0.6
371.16272	2.4
372.13156	1.2
372.17072	1.2
373.17825	1.3
382.15472	0.8
383.12067	2.7
383.16537	0.7
384.13040	3.5
385.13715	1.0
386.14828	2.2
396.13269	1.1
397.13879	2.2
398.14728	13.8
399.15430	100.0
400.16580	3.7
402.14221	0.7
403.15332	0.8
404.16028	1.0
414.13989	2.3
415.15073	0.7
416.15924	1.1
417.16827	1.9
418.17542	1.3
426.13831	0.7
427.14838	0.6
428.15958	1.7
430.13394	0.9
432.15472	1.9
433.16653	0.8
442.17856	2.3
444.15506	1.2
445.16223	1.9
446.16983	2.2
454.13986	2.2
456.15546	1.1
460.19208	2.7
464.18250	0.6
472.14886	3.0
473.15659	8.0
474.16513	11.7
475.17380	0.6
476.18344	2.4
477.18881	2.0
488.18066	0.7
490.19955	5.8
491.16776	0.7
492.17569	2.2
496.24371	2.2
504.17520	4.5
505.18378	21.0
506.19122	11.2
507.19666	0.8
508.20734	2.7
522.22266	76.2
523.23352	11.8
524.20343	2.1
540.23297	18.6
556.22980	1.6
579.22284	1.4
595.72681	0.6
597.23285	11.0
611.24762	1.9
615.24200	2.3
629.25928	17.3
647.27081	8.8
679.28687	2.0
679.50964	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	0.6
55.05471	0.7
67.05455	1.4
69.03400	0.7
69.07013	1.4
70.01826	2.4
70.06544	1.9
70.06886	0.4
72.08123	0.7
79.05443	1.1
81.03381	0.7
81.07010	1.7
83.08541	0.6
84.04461	0.7
84.08072	1.3
85.02847	0.9
85.06473	0.6
86.09678	0.6
91.05457	3.5
93.07037	4.4
94.06544	2.1
95.04915	1.4
95.08548	1.2
97.02838	0.7
99.04403	0.6
100.11167	0.9
101.05988	0.5
105.07001	2.1
106.06505	0.5
107.04868	0.5
107.08557	0.8
108.08066	1.6
109.02846	0.6
109.06455	1.1
109.10135	1.0
110.06001	0.8
111.04367	0.5
111.08073	2.9
112.07558	0.6
117.06969	0.7
119.08523	1.0
120.08080	0.9
121.06467	1.0
121.10091	1.0
122.05991	2.7
122.09577	0.7
124.07540	1.6
126.09109	0.5
127.03836	0.8
130.08556	0.6
131.08575	0.4
132.08060	0.6
133.10091	0.8
134.06024	0.9
134.09660	2.3
135.07980	2.0
136.03824	0.5
136.07541	5.2
137.05905	1.4
137.09549	0.5
138.09074	0.8
140.07054	2.4
144.07997	1.1
145.10001	1.0
146.05968	1.1
147.04376	0.7
147.06723	0.5
147.07999	0.6
148.07552	1.0
150.09070	0.7
152.07007	2.0
152.10617	1.7
154.04930	0.4
154.08549	1.8
159.11563	0.4
160.07486	1.0
162.05418	0.9
162.07643	1.1
162.09111	18.3
163.07483	1.5
164.07031	1.3
166.08618	2.9
167.07030	0.7
168.10213	2.3
172.03847	1.1
172.07526	0.7
174.05453	0.9
175.03812	0.4
176.07001	0.7
177.05437	0.9
180.10167	14.1
182.15375	0.7
184.07463	0.8
186.09074	1.2
187.08669	1.2
190.08588	3.0
192.06477	0.5
194.08122	2.6
197.06992	0.8
199.08606	1.7
200.07106	0.7
200.09319	1.1
201.10185	0.6
204.06508	2.2
204.10185	0.9
206.08037	0.8
208.09660	31.7
209.10014	0.5
210.09198	0.6
211.08566	2.3
212.07336	0.5
212.09239	1.9
213.06535	1.2
213.10208	2.6
214.07169	0.7
215.08098	3.1
215.11787	0.7
216.08670	0.6
218.08044	2.2
220.09572	0.7
223.08548	0.8
224.09308	0.5
225.06563	1.9
225.10179	1.2
226.07330	0.6
226.11005	0.6
227.08116	3.4
227.11655	3.5
228.08824	1.7
228.12276	0.5
229.09697	4.4
230.08105	1.4
230.10555	1.2
231.11304	0.5
232.09683	0.9
234.07559	1.0
235.08516	0.5
236.09370	0.7
237.10088	1.2
238.07140	0.7
239.08124	3.1
239.11809	0.9
240.08878	1.3
241.09647	2.4
242.06551	1.0
242.10460	0.8
243.07632	3.2
243.11240	4.3
245.09099	0.7
248.09044	1.1
249.10112	1.6
250.08725	0.4
250.10783	4.1
251.08128	0.9
251.11700	0.7
253.09752	2.5
254.10452	0.7
255.07573	3.4
255.11203	1.5
256.08386	1.3
257.09183	9.1
257.12250	0.7
258.07440	0.4
258.09882	6.5
259.10684	1.5
261.12207	0.8
263.11731	0.5
265.09677	2.2
267.07504	1.5
267.11084	2.5
269.09210	2.3
269.12790	5.4
270.09872	0.7
271.10721	3.8
272.11533	1.2
273.08694	1.7
273.12256	4.1
274.09436	0.9
276.08670	4.9
277.09747	0.6
279.07559	1.4
279.11234	2.3
280.08365	1.0
281.09109	1.9
281.12152	0.5
283.07397	1.0
283.10733	2.2
283.13577	0.4
284.08533	0.4
285.08633	8.0
285.12210	2.4
286.13049	0.6
287.10196	1.9
287.13403	2.2
289.11813	8.3
293.09131	3.4
293.12784	1.3
295.10660	1.7
296.11423	0.5
297.08746	1.0
297.12262	1.6
299.10107	4.4
299.13428	0.6
301.08517	0.9
301.11786	2.1
302.08936	3.3
302.70993	0.5
303.13486	0.8
307.10815	0.8
309.08508	0.7
311.10123	4.6
313.11890	2.5
315.09775	3.2
315.13498	1.3
316.10522	9.0
317.11270	82.1
318.11652	1.3
321.08560	0.5
321.12201	0.6
323.10132	0.7
324.11359	0.9
325.11829	1.6
327.09720	0.6
327.13382	0.7
329.11319	2.5
330.09378	0.7
333.14566	1.0
337.11734	0.7
339.09598	1.9
339.13470	1.9
341.11240	2.8
343.13037	2.4
345.14490	1.3
347.12402	1.8
349.14078	0.8
351.09744	1.3
353.11148	0.7
355.12833	3.0
356.13788	0.6
359.13187	0.6
361.13947	1.0
362.14795	0.6
366.12085	1.5
367.12885	1.7
369.10699	1.9
369.14722	0.6
371.12146	2.2
373.13885	1.0
374.14856	0.6
381.10648	0.6
383.12289	4.4
384.13040	0.7
385.14093	1.5
386.14920	1.6
388.12354	0.6
390.14453	1.0
398.14664	0.6
399.15488	3.4
404.16177	0.6
406.13736	0.8
408.15491	2.2
414.14285	2.2
428.16129	0.8
434.17029	0.6
440.18057	1.6
446.16916	0.9
453.34003	0.5
456.15637	0.8
460.14395	0.6
464.18195	1.0
474.16574	7.0
475.17392	0.6
476.17712	1.3
478.19824	1.2
480.21463	0.7
482.18887	0.9
488.17575	0.6
490.20013	0.7
492.17682	3.2
496.21277	1.0
506.19113	3.7
522.22595	2.6
524.20215	100.0
525.20624	1.6
540.23157	0.8
542.21265	11.9
556.22803	60.1
557.23175	1.0
579.22241	0.8
597.23315	3.8
615.24414	14.3
629.26239	2.2
647.27051	7.0
661.25586	0.8
679.30743	0.8
679.51245	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55334	0.4
53.03925	0.6
55.05498	1.4
57.03419	1.5
59.04986	2.8
65.03925	2.6
67.01839	0.9
67.05492	5.6
69.03405	2.3
69.07039	1.6
69.87376	2.9
70.06569	1.0
71.01336	0.5
71.04969	1.6
73.02882	1.6
79.05471	1.5
79.61629	0.5
80.04995	2.6
81.03394	1.0
81.07036	1.8
83.04958	1.2
84.04487	0.6
84.08128	0.7
85.02885	2.9
86.09673	0.6
87.04446	0.8
89.06005	1.3
91.05472	2.8
92.05002	1.2
93.07028	3.8
94.02951	0.6
94.06550	3.4
95.04940	2.0
95.08589	1.2
96.04473	0.8
97.02873	2.9
97.06517	1.0
100.11246	0.8
105.07009	2.3
107.04962	0.7
107.08569	1.5
108.04467	7.1
108.08072	0.9
109.02853	0.5
109.06526	0.9
109.10089	1.0
110.06017	1.3
111.04393	0.8
112.07601	0.5
113.08154	0.5
117.05744	0.5
117.06991	0.8
117.09100	0.8
119.08544	4.7
120.04468	0.6
120.08073	0.5
121.10111	2.1
122.06005	12.3
124.07552	2.0
126.05517	1.0
127.03913	1.3
129.05414	0.6
130.06499	1.6
131.08504	0.9
132.08096	3.4
133.08620	1.1
133.10100	1.4
134.05968	0.8
135.07962	0.8
135.11684	0.9
136.03874	2.6
136.07520	2.5
136.53986	0.6
137.05939	1.3
138.05482	12.8
140.07037	4.8
144.08054	3.1
145.02838	0.6
145.04951	0.6
145.10094	1.3
146.05951	1.4
146.09576	0.8
147.04410	0.8
147.07993	1.3
148.07562	1.3
149.09558	0.8
150.09018	1.1
152.07047	1.2
154.04962	100.0
154.08546	2.2
155.05296	0.7
158.05988	13.2
159.11620	0.6
160.03935	0.7
160.07550	16.6
161.09596	1.2
162.05470	0.6
162.07593	5.9
162.09074	1.5
164.07028	0.8
165.09096	1.7
166.08604	2.2
172.07558	2.9
173.08278	0.6
174.05431	0.7
174.09171	3.4
175.11073	0.6
175.13387	0.7
176.07033	1.9
177.05460	0.8
178.08606	2.1
180.10213	0.6
182.15436	0.6
186.09044	0.7
187.06203	0.7
188.07008	0.6
189.10236	1.6
190.04974	2.2
190.08545	3.2
192.10136	3.5
200.07034	3.6
201.07800	0.5
202.08624	5.5
204.06546	2.2
204.10147	1.9
205.09648	0.6
207.11279	3.1
208.09608	0.8
211.08751	0.7
211.12251	0.5
212.07047	0.9
214.08717	0.6
215.04462	1.4
215.08156	1.1
216.06552	0.5
218.08080	57.8
219.08812	3.2
220.09619	3.1
222.09267	1.0
222.11287	1.7
225.10156	0.7
229.09660	1.6
230.08089	2.3
232.09706	1.6
234.11211	1.0
237.10187	1.1
238.08589	0.6
239.11768	1.8
243.07487	0.8
244.06033	2.0
245.09235	1.5
246.07593	8.5
247.10812	2.8
248.11504	0.7
249.10175	0.8
249.12480	0.8
250.10707	40.7
251.08154	0.9
251.11591	1.7
253.09810	0.8
253.13292	1.1
254.10373	1.3
255.11287	0.6
256.09753	0.5
257.09222	1.9
257.12839	0.7
258.07510	1.3
259.10727	1.7
262.06946	0.7
263.07864	4.6
263.11749	1.5
264.08554	7.9
265.09665	7.2
266.10370	1.5
267.11133	1.5
269.12927	0.8
270.09964	1.3
275.10217	4.6
276.08722	2.2
277.09695	0.8
277.13565	0.6
278.10400	0.8
279.07861	1.2
279.11279	4.5
280.08557	1.3
280.11746	1.6
281.09225	1.7
281.12912	1.4
282.09982	0.6
283.10718	1.7
285.08823	0.9
285.12143	1.1
286.09631	0.7
287.13898	2.8
288.14127	0.5
291.09995	1.7
292.08969	0.6
293.08905	14.8
294.09970	1.1
295.10666	2.0
297.08899	1.0
297.12076	2.8
298.12628	0.7
299.10474	1.0
299.13690	6.1
301.11847	1.5
307.10532	2.2
307.13055	1.8
309.09207	0.6
309.12253	2.5
310.10233	1.1
311.10248	1.6
311.13651	0.6
313.12057	1.1
313.15204	2.6
317.11398	1.2
323.10632	0.8
323.13834	3.7
325.08084	1.1
325.11780	4.3
327.09863	0.7
327.13351	1.4
333.14404	2.1
335.10205	2.7
337.08264	1.2
337.11752	9.7
338.08850	10.3
338.12384	1.6
339.09555	0.9
339.13171	3.3
340.13715	1.4
341.11151	1.0
341.14865	10.9
343.13107	0.7
351.09705	2.2
353.11246	63.0
354.12006	9.0
355.12796	30.4
355.16568	8.3
356.13181	0.8
357.10657	1.5
365.11035	0.6
366.11838	0.8
367.12924	2.4
369.14508	6.3
371.12286	2.3
373.17535	6.7
385.13864	38.5
386.14093	0.6
399.15540	3.3
431.26059	3.0
458.16922	2.5
460.18997	1.0
461.19113	0.7
464.18210	0.9
474.16486	1.1
475.17285	0.6
476.18091	67.8
477.18497	1.7
478.19904	0.8
490.19504	1.0
492.17560	3.8
493.18253	1.9
494.19217	12.2
505.18558	0.8
506.19186	1.1
508.20718	25.2
509.21176	0.6
511.22656	0.9
522.22394	1.1
524.20239	19.1
525.20984	1.8
526.21765	0.6
538.21637	1.9
540.23267	1.2
556.22888	7.2
597.22998	1.4
601.26587	0.5
602.26941	3.6
615.24414	25.7
616.24481	1.1
629.25830	0.8
634.29797	0.9
635.32764	1.4
647.27179	8.5
679.31427	3.2
679.50507	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73153	0.7
53.03925	2.1
55.05254	1.1
55.05498	12.0
57.03426	7.7
57.07049	3.2
58.68591	0.7
61.02633	1.2
61.02912	16.3
65.03915	2.1
67.05491	67.6
69.03396	2.6
69.07054	12.8
69.35404	6.2
69.35812	1.4
71.04962	2.3
71.08600	1.2
73.02896	6.0
75.04462	1.7
77.03886	1.0
79.05477	38.3
81.03388	1.5
81.07040	78.1
82.07349	0.8
83.04974	0.9
83.08601	9.5
84.00439	0.7
85.02410	1.4
85.02888	17.8
85.06509	2.7
91.03394	1.3
91.03933	20.0
91.05460	19.6
93.07024	51.2
94.07356	1.0
95.04945	5.0
95.08588	62.9
97.02870	9.4
97.06503	3.2
97.10150	3.6
99.08049	2.3
105.07009	17.2
107.08574	34.5
109.02866	1.4
109.06492	2.8
109.10131	36.6
111.08066	1.9
113.09646	1.7
117.07004	7.5
119.08548	17.9
121.06538	0.8
121.10122	34.2
123.08092	1.4
123.10802	1.4
123.11678	18.8
125.09577	1.9
127.03885	7.5
129.05441	0.8
131.08537	17.1
133.10098	13.2
135.11662	28.7
135.12694	1.8
137.09573	2.6
137.13211	6.9
139.11160	2.4
145.04936	8.6
145.10091	17.7
147.11650	12.8
149.09610	1.3
149.13234	21.5
151.11142	3.3
151.14806	2.3
153.12715	1.3
159.11658	14.3
161.13225	11.1
163.05975	14.5
163.11116	1.3
163.14789	14.2
165.00067	0.8
165.12724	3.2
173.13202	14.4
175.14790	4.6
176.77457	0.8
177.12711	1.7
177.16389	6.7
179.14243	3.4
187.14771	9.4
189.16374	0.8
191.14256	1.3
191.67372	0.8
193.15747	1.2
198.93283	0.9
201.16316	3.1
205.15878	1.3
215.17915	1.4
233.19038	1.0
233.22612	2.8
243.21043	37.2
261.22086	100.0
262.22409	2.5
263.23648	1.2
279.23053	6.9
317.24649	1.1
335.25726	35.6
336.26038	1.2
353.26797	43.9
434.32468	0.9
479.30066	1.3
481.71509	0.9
497.31003	8.9
630.22107	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	12.1
57.03413	9.2
57.07047	5.7
61.02912	18.6
61.57451	2.6
67.05489	76.1
69.03406	3.4
69.07052	11.7
70.06555	3.3
70.20528	8.8
71.04969	3.5
72.08126	5.2
73.02884	9.7
79.05474	44.6
81.07040	99.8
83.04935	3.3
83.08598	7.7
85.02885	20.4
85.06487	3.6
88.07593	3.8
91.03934	19.7
91.05465	22.4
93.06473	4.2
93.07024	59.8
95.04955	2.3
95.08588	79.8
97.02878	11.4
97.06492	4.2
97.10133	3.3
99.08060	2.6
100.07568	4.3
102.09150	3.1
105.07004	18.8
107.08572	37.0
109.10138	41.8
111.08026	3.0
113.09602	2.7
117.06973	10.4
119.08548	19.4
121.10114	39.5
123.11695	21.2
127.03896	8.1
127.62000	2.5
131.08563	22.4
133.10107	15.3
135.11659	29.5
136.29103	2.2
137.13232	5.4
139.11127	2.5
145.04904	12.5
145.10059	16.8
147.11650	15.5
149.02321	6.5
149.13232	17.7
151.14748	3.2
157.10120	3.1
159.11678	16.8
161.13231	10.4
162.07581	3.9
163.05974	12.7
163.14796	16.5
173.13245	20.5
175.14777	6.1
177.12723	3.6
177.16356	5.4
179.14238	2.8
187.14769	10.4
191.14268	3.7
193.04924	9.0
201.16260	3.5
202.31389	2.3
215.17859	2.7
238.04495	2.5
243.21049	44.7
256.26291	20.2
261.22086	100.0
262.22552	2.9
279.23059	4.4
324.29822	4.5
335.25732	38.3
353.26743	48.9
442.16592	3.2
459.66382	2.8
479.30020	3.2
497.31122	12.3
677.54529	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	677.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	8.2
55.01855	12.4
55.05502	33.7
57.03183	3.1
57.03425	36.3
57.07051	5.3
57.14471	2.6
61.02913	40.5
65.03923	4.3
67.05493	92.8
69.03070	3.6
69.03419	40.8
69.07053	33.5
71.04967	10.8
73.02910	24.2
75.04467	20.2
77.71339	2.2
79.05477	82.2
81.03407	47.8
81.07042	100.0
83.04969	13.2
83.08610	20.1
85.02885	96.4
85.06525	5.5
87.04435	3.1
91.03405	5.3
91.03940	59.0
91.05463	69.4
93.05500	77.0
93.07027	95.3
95.04960	15.1
95.08591	75.7
97.02870	52.6
97.06509	10.9
97.10143	10.4
99.04420	15.1
103.03909	9.5
105.07001	72.9
107.04919	7.6
107.08575	55.9
109.02848	8.9
109.06505	10.2
109.10136	37.6
111.04404	15.3
111.08078	6.5
115.03883	5.1
116.45770	3.0
117.07001	34.6
119.07784	5.4
119.08562	55.9
121.06494	9.6
121.10122	46.8
123.04404	7.9
123.08009	6.1
123.11683	11.8
125.05980	3.5
125.09601	4.1
125.44778	2.8
127.03891	38.7
128.06192	8.1
129.05530	5.8
129.06985	21.2
131.08546	57.0
132.01994	2.6
133.06424	8.1
133.10103	39.8
135.08044	9.3
135.11690	26.5
137.09619	5.2
137.13210	3.0
139.07581	2.7
141.06984	7.1
143.08510	22.8
145.04927	34.7
145.06438	6.0
145.10104	45.4
147.08022	9.9
147.11659	31.1
149.09555	7.0
149.13229	18.1
151.07512	7.1
153.07004	2.9
153.09169	4.0
155.08496	9.8
157.10118	21.0
159.08006	6.3
159.11662	29.9
161.06027	4.0
161.09624	8.1
161.13246	18.8
163.05984	68.7
163.11134	4.9
163.14752	7.6
165.09116	2.9
167.08443	6.2
169.10081	10.7
171.08006	5.7
171.11629	15.1
173.09610	7.3
173.13229	25.2
175.11131	8.2
175.14810	9.6
177.12779	4.3
179.08527	4.1
181.10117	4.8
183.06499	3.3
183.11710	13.3
185.09604	8.4
185.13329	13.1
187.11188	7.3
187.14740	14.7
189.12682	4.5
195.11674	4.8
195.59833	2.8
197.09566	3.5
197.13243	7.1
199.11148	4.5
199.14795	6.9
201.12697	3.2
203.14325	3.4
205.12231	3.5
207.11856	3.5
207.13884	3.7
209.13255	6.0
211.11208	3.7
211.14731	6.9
213.12759	7.5
215.14455	3.6
225.16145	3.7
231.13582	3.2
232.71370	2.8
235.13266	2.8
241.15739	3.3
241.19492	3.8
243.21060	10.0
249.14774	6.3
255.10687	8.7
257.15256	3.5
259.20560	12.3
261.22089	29.6
271.20541	8.2
273.22079	4.7
275.20032	3.3
277.14398	6.6
277.21756	14.1
279.23074	3.9
285.22018	7.2
287.19958	3.2
287.23947	3.4
289.21576	12.1
291.23221	9.7
295.15347	3.1
299.23508	3.4
301.21609	11.8
303.23050	16.8
309.22037	3.9
313.21426	8.0
315.23035	10.5
319.22733	6.9
323.23581	3.4
327.23145	7.3
331.22595	4.6
341.24677	12.1
345.24075	10.0
351.23209	17.0
357.24240	4.0
359.25781	5.4
369.24207	67.2
387.25180	53.6
387.30002	4.1
405.21109	5.3
405.26303	69.7
423.27344	24.4
571.01422	2.7
601.25165	2.9
602.21545	3.8
693.37677	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	677.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.1
55.05502	11.3
57.03424	5.6
57.07052	4.4
61.02916	23.9
65.03919	2.5
67.05492	61.6
69.03413	5.4
69.07053	14.3
70.17856	0.9
70.37823	1.2
70.38178	4.2
71.04985	2.3
71.08607	1.4
73.02901	10.7
73.49955	1.0
75.04460	1.4
79.05480	41.8
81.03388	2.5
81.07040	71.3
83.04954	1.3
83.08607	6.3
85.02889	27.1
85.06521	1.9
90.75488	1.2
91.03399	1.8
91.03935	27.2
91.05458	21.3
93.07027	54.8
95.04936	3.3
95.08586	55.7
97.02871	12.9
97.06532	2.2
97.10137	2.3
99.04426	1.8
99.08081	2.5
103.03949	1.4
105.06358	1.8
105.07009	16.5
107.07861	1.9
107.08576	38.5
109.06469	1.9
109.10131	29.8
111.08051	1.5
115.03918	1.9
117.07002	8.9
119.08557	15.2
121.10121	36.3
123.08012	1.6
123.11676	16.2
125.09587	2.2
127.03909	10.4
129.06953	1.3
131.08543	19.8
133.10106	13.9
135.11665	30.2
137.13245	5.9
139.11066	1.3
144.09795	1.2
145.04924	14.9
145.10109	19.2
147.11658	11.5
149.13232	19.7
151.11150	2.2
151.14810	1.3
159.11668	15.3
161.13239	11.5
163.05991	26.1
163.14777	16.2
165.12680	2.1
173.13225	17.1
175.14781	4.0
177.12724	1.8
177.16391	6.8
179.14291	1.8
185.75943	1.0
187.14764	10.9
189.16322	1.7
201.16284	2.5
205.15802	2.7
215.17918	2.3
219.17310	1.6
233.22646	2.7
243.21025	40.7
244.21336	1.5
261.22086	100.0
262.22388	2.3
263.23590	1.5
279.23117	2.8
335.25772	19.4
353.26794	42.3
354.26846	1.6
369.24084	1.3
405.25925	1.1
433.29117	1.0
461.29095	1.3
497.30847	5.2
526.64050	1.1
617.21729	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	675.4622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54973	1.3
55.05490	4.4
57.03407	4.4
57.07067	100.0
58.04210	11.8
59.04702	2.1
59.04989	40.6
60.04498	2.0
67.05489	7.1
69.07037	4.6
69.84414	7.1
71.04967	4.0
71.08620	98.1
72.05763	23.1
73.02909	15.0
73.06542	38.3
74.06068	1.1
79.05478	2.0
79.15987	1.0
81.07031	6.3
82.07804	2.9
83.04977	1.3
83.08595	7.5
85.06512	1.9
85.10170	79.6
85.47369	1.2
86.03682	1.4
86.07306	1.6
87.04456	44.0
87.08080	1.4
88.05228	4.9
88.07574	2.0
89.05482	2.5
89.06016	43.7
90.01900	63.8
91.05486	2.2
93.07048	2.4
95.08588	4.3
96.09375	1.8
97.06489	1.6
97.10137	3.4
98.20750	1.8
99.11723	8.2
101.05992	4.1
102.05500	1.7
102.06770	3.3
103.07567	24.2
105.06965	1.8
107.07040	2.0
107.08541	1.8
109.10122	1.5
111.08031	1.4
111.11681	1.8
114.09082	1.6
115.07536	3.2
116.08331	6.7
117.09112	24.0
119.06984	1.6
121.08531	1.5
124.53581	1.3
130.08601	2.8
131.07005	5.0
133.08580	27.1
135.10179	2.8
138.13991	4.9
141.16354	6.3
147.01642	1.5
147.10107	6.9
161.11703	7.5
163.09637	1.6
165.11240	1.8
169.15860	5.9
177.11179	11.6
178.07077	11.7
179.12737	2.8
180.12280	3.4
183.17346	1.9
184.07295	4.4
185.18991	1.8
191.12621	1.3
194.13846	2.5
198.19720	2.4
199.20509	7.3
208.15396	5.5
209.13831	3.0
221.13806	3.4
222.09673	15.7
222.16943	6.8
223.15344	3.1
224.14960	1.7
238.16527	3.3
241.15257	2.0
243.23175	4.8
252.18042	8.6
253.16386	2.5
254.15953	1.8
266.12399	7.3
266.19586	9.9
267.17880	3.7
268.17426	5.3
271.16119	3.0
282.19064	5.5
285.17773	3.8
296.20663	10.9
305.26620	1.4
306.23816	1.6
310.22232	12.5
312.20084	4.3
315.18976	1.8
324.23364	1.6
326.21603	3.1
340.23318	6.6
348.31110	5.8
354.24832	6.0
356.22961	1.6
370.24457	3.7
384.25510	3.0
392.33502	9.2
400.25375	2.8
436.36212	13.6
452.35730	1.6
455.34650	1.6
460.23779	6.7
480.38501	3.1
496.38300	3.1
524.34033	2.3
524.41516	31.0
540.40729	4.7
568.43854	3.6
584.43842	6.4
675.46240	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	676.4979
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08058	0.1
55.05506	0.4
56.05023	1.0
57.03433	0.2
57.07058	1.3
58.04224	0.2
58.07401	0.4
59.04993	0.5
60.08144	0.4
67.05490	0.6
69.07046	0.4
69.34445	0.5
69.34853	1.2
71.07377	0.2
71.08614	1.1
72.05757	0.4
72.08984	0.2
72.70171	0.2
73.02924	0.2
73.06551	0.5
79.04176	0.2
81.07038	0.3
84.08131	46.3
85.08464	0.3
85.10175	1.2
86.09692	2.4
86.10489	0.2
87.04455	0.8
89.06017	1.0
90.01888	1.4
91.05485	0.2
93.07020	0.3
95.08556	0.3
97.10163	0.3
98.98476	0.2
99.11708	0.2
103.07536	0.3
105.07006	0.2
109.10143	0.3
116.92903	0.2
117.09129	0.3
124.99977	1.7
125.79872	0.2
130.08620	100.0
131.08937	0.7
133.08566	0.5
177.11206	0.2
184.07312	9.3
437.36252	0.4
505.92487	0.2
515.88770	0.2
525.41663	0.5
676.45856	1.1
677.45178	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.498
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96054	0.2
55.05498	0.5
56.05023	1.2
56.71340	0.2
67.05500	0.5
68.09715	0.2
69.07056	0.4
71.08604	0.3
71.53248	0.4
79.05497	0.3
81.03369	0.3
81.07054	0.5
84.08131	46.5
85.08445	0.5
86.09698	0.3
89.06032	0.3
91.05444	0.3
93.07010	0.3
94.29800	0.2
95.08591	0.4
105.07027	0.3
119.08573	0.3
121.10181	0.3
130.08621	100.0
131.08905	0.8
133.10153	0.3
136.06180	0.5
147.11710	0.2
154.84868	0.2
184.07280	1.6
275.20187	0.3
350.76089	0.2
364.65485	0.2
446.66254	0.2
543.36206	0.3
676.22131	0.6
677.29883	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.5032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	1.3
57.07063	68.3
59.04988	15.9
69.07043	1.5
69.91927	0.6
70.46565	1.1
70.46961	1.0
71.08616	64.7
71.20896	0.6
73.02903	1.1
73.06536	4.8
83.08617	1.8
85.10163	56.4
87.04450	15.6
87.04966	1.3
89.06010	100.0
90.06309	0.7
97.10095	0.8
99.11707	5.3
103.07555	7.4
107.07031	2.2
117.09106	4.5
130.08589	3.1
131.07024	7.3
131.10661	0.7
133.08575	83.6
134.08917	1.1
141.16371	6.2
161.11665	1.7
175.09612	6.3
177.11182	38.1
178.11580	0.9
179.12680	0.6
183.01439	0.7
184.07326	0.9
199.20531	8.3
219.12239	2.3
221.13786	7.7
223.15422	0.7
239.14871	2.2
243.23114	7.4
265.16382	1.8
273.24323	0.5
283.17566	3.5
309.19046	1.7
327.20068	2.6
353.21637	2.2
371.22693	1.6
397.24329	1.0
415.25308	2.6
441.26816	2.0
459.27957	15.7
460.28232	0.7
499.31000	3.8
657.47998	3.8
674.50409	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	675.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
59.51664	0.2
60.45628	0.2
69.84779	1.1
69.85191	0.5
71.16022	0.2
81.06997	0.5
91.05412	0.4
93.06961	0.4
98.20864	0.3
112.95998	0.2
121.15147	0.3
165.08998	0.2
184.64832	0.3
204.08531	0.3
453.16043	0.5
454.16672	0.9
455.13547	0.8
467.12427	0.5
467.17831	0.6
468.13843	2.1
469.14783	7.3
470.15460	1.8
471.16370	0.7
479.17072	0.5
481.14539	1.6
482.15796	10.0
483.16547	10.0
484.17334	2.1
485.18750	0.4
487.16302	0.4
493.18796	0.3
495.16620	1.6
496.17490	5.8
497.18115	40.1
498.18695	4.0
499.19269	0.9
500.16983	0.7
505.41550	0.3
509.14398	0.4
510.19351	2.1
511.19724	5.7
512.20221	1.9
514.18317	0.2
515.19165	2.4
516.19409	0.3
523.16840	0.5
524.18597	0.3
527.15466	0.5
528.16364	2.2
529.16565	0.3
538.20081	1.0
539.21448	0.5
541.16858	0.8
542.17871	2.5
555.18518	2.2
556.19348	3.9
557.20251	3.3
569.20239	0.5
571.21503	0.5
573.22327	0.4
574.19946	0.3
583.21820	0.4
587.21924	0.4
597.22028	0.4
611.21100	0.5
616.21338	1.4
617.22528	0.3
628.21191	0.3
629.22559	0.5
630.22955	0.4
643.23798	8.0
644.24579	7.9
645.24255	1.0
657.25519	8.1
675.26465	100.0
676.26648	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	674.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	2.6
55.01853	3.3
55.05501	34.6
57.03407	3.4
57.07065	18.2
59.04996	8.0
61.02893	2.0
67.05484	8.1
69.03422	10.3
69.07056	51.1
69.76866	4.9
70.06584	3.9
71.04967	3.6
71.08616	3.8
72.04475	1.0
73.02890	3.5
76.02187	1.6
79.05472	3.5
81.03396	9.5
81.07043	15.2
83.04961	3.0
83.08602	100.0
84.04470	4.8
84.08112	2.7
84.08903	1.7
85.02887	18.3
85.06517	2.4
86.09676	2.8
87.00806	5.4
87.04443	2.4
89.06015	37.3
91.05482	3.8
93.07005	4.8
94.06519	1.1
95.04937	3.2
95.08588	10.2
96.04458	1.0
97.02866	8.0
97.06499	1.3
97.10150	31.6
99.04420	4.7
99.08071	1.8
101.06024	0.8
101.07085	1.3
103.07562	2.4
104.10704	2.9
105.01843	4.1
105.07042	4.0
107.04945	1.1
107.07034	2.8
107.08560	3.6
108.46408	0.7
109.02847	8.2
109.06488	1.7
109.10149	7.8
111.04439	1.6
111.08083	1.1
115.03854	1.2
117.01861	1.0
117.06978	1.6
117.09172	0.8
119.08547	5.3
120.08055	1.0
121.06425	1.3
121.10103	3.8
123.08044	0.9
123.11675	4.2
125.13247	5.9
126.05493	3.2
127.03896	10.8
129.01804	1.0
129.06952	0.9
129.10158	0.9
130.08635	1.9
131.04881	1.2
131.07076	1.1
131.08537	1.7
133.06459	1.0
133.08575	14.7
133.10036	3.8
135.08066	1.1
135.11644	1.7
137.05940	1.6
137.09547	0.9
137.13191	1.7
138.05452	1.6
139.14789	2.3
141.06841	0.9
145.04906	3.4
145.10074	1.5
147.04381	1.0
147.07956	1.6
147.11679	2.0
149.11803	0.9
149.13100	1.2
151.09590	1.9
151.11148	1.5
155.08359	1.0
157.10071	1.0
157.15787	3.9
159.02832	2.7
159.11655	1.0
161.09560	1.5
161.13234	0.9
162.02150	1.1
162.07573	3.3
163.11137	1.6
165.16348	0.9
167.07060	1.7
171.11595	2.0
173.13147	1.3
177.11197	24.6
179.04979	0.8
179.17880	2.5
183.17375	1.1
184.07275	2.9
191.12706	3.0
195.12238	22.3
197.13324	1.2
197.19017	3.1
201.18459	1.5
204.08617	3.5
207.06461	0.9
209.13745	2.6
215.19975	1.5
231.04892	1.9
235.15332	7.5
239.14880	1.0
241.21574	3.0
253.16353	5.4
259.22635	1.4
267.18030	1.6
275.20120	1.3
276.95120	0.9
285.12228	1.6
289.09024	1.1
301.11893	1.3
315.04895	3.5
316.05222	3.5
372.13168	1.2
391.30460	83.9
392.30637	4.0
402.14178	1.3
409.31497	42.9
410.31836	2.0
417.16772	1.5
460.14987	1.1
462.16296	2.5
476.18530	0.9
520.16840	6.4
521.17621	8.8
552.19623	6.6
581.43231	1.0
616.82434	1.0
625.22595	1.1
643.22144	1.3
657.24994	2.3
674.28027	1.6
674.38898	1.8
675.26996	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	673.4826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	2.5
56.06358	0.9
57.03421	3.3
57.07065	100.0
58.04218	6.4
58.07409	1.2
59.04991	47.1
67.05493	2.2
69.07059	2.9
71.04963	1.8
71.08620	72.3
71.54147	2.0
72.05751	5.7
73.02895	3.0
73.06556	6.0
79.05461	1.1
81.07042	2.4
82.07822	1.6
83.08607	3.9
85.06540	1.6
85.10168	58.6
86.07310	1.8
87.04453	11.0
87.08081	2.8
88.05233	2.6
89.06012	12.4
90.01900	21.2
90.97773	0.9
95.08591	1.5
96.09418	1.2
97.10159	3.3
99.11713	11.4
100.08840	1.3
101.05988	3.0
101.09640	4.4
102.06767	1.4
103.07577	4.4
105.02374	0.9
109.10140	1.4
110.10966	1.0
112.64167	0.9
113.13282	4.2
115.07555	3.5
116.08360	2.1
117.09110	16.6
117.09887	1.3
130.08612	1.6
131.06976	1.2
133.08586	4.3
135.10161	1.1
147.10149	3.0
152.15559	3.3
155.17924	8.2
161.11729	1.5
173.88414	0.9
177.11232	2.2
178.07103	3.6
183.17432	2.1
193.14388	1.5
205.14308	1.3
208.15479	1.8
212.21422	1.7
213.22093	15.1
222.09709	5.7
222.16965	2.9
223.15280	1.2
233.15074	1.1
238.16508	1.4
241.21693	1.3
252.18129	2.7
254.24759	1.2
268.17578	1.7
270.25381	1.2
270.90292	1.0
271.26279	16.8
280.21039	1.8
281.19595	1.8
296.20175	1.5
310.22089	1.5
321.22827	1.4
326.21613	2.1
328.16064	4.6
328.29691	1.2
338.25555	2.4
368.26605	1.2
386.20306	2.2
396.29446	1.4
434.38342	3.8
444.23901	1.2
455.75769	1.0
478.40536	1.3
522.43500	11.6
655.21381	1.3
673.48767	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	674.246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.1
55.01863	1.7
55.05480	0.4
57.03393	0.4
60.04516	0.4
61.02873	0.4
65.03911	1.2
67.05471	0.5
69.03413	0.6
70.06558	1.4
71.53970	0.6
72.08098	0.5
72.11299	0.4
75.04462	1.0
77.03900	0.5
78.04688	1.0
79.05466	2.9
81.03410	0.4
84.08105	0.5
85.02888	2.5
86.09645	0.5
89.03898	0.7
89.05999	0.5
91.05462	9.5
93.03390	3.1
93.07018	2.9
95.04950	2.3
95.56129	0.3
97.02863	0.5
97.06512	1.1
100.02169	0.4
100.99010	0.4
103.05445	8.6
105.03345	0.5
105.04507	0.4
105.07003	5.4
106.04150	6.4
107.04928	16.6
109.06521	0.8
110.07180	0.5
110.33576	0.4
111.04460	0.3
115.05463	1.6
115.73553	0.3
117.03361	0.5
117.06973	1.2
118.04118	1.3
119.04907	3.2
121.06477	11.5
122.02690	0.8
123.04387	2.0
124.05155	0.8
125.05972	2.1
128.06198	0.8
129.06970	4.3
130.04060	0.5
131.04895	10.3
131.08510	2.5
132.05696	2.2
133.02783	0.8
133.06487	2.7
133.10085	0.7
134.03586	1.1
135.04399	1.1
135.08011	3.7
136.05164	0.5
136.06129	0.5
137.05946	5.5
138.06660	0.5
139.07487	0.7
144.05623	0.7
145.02794	0.9
145.06465	1.3
145.07544	0.4
146.02670	0.7
146.07220	2.7
147.04375	1.5
147.08076	0.9
148.05157	4.6
148.07573	0.4
149.05952	14.6
149.09560	0.7
151.03893	0.8
151.07513	3.9
152.04634	0.6
153.05414	1.7
153.09050	3.5
155.07071	0.5
157.06448	2.4
158.07207	0.5
159.04416	0.4
159.07986	0.6
160.05170	1.2
161.05939	78.4
161.09567	17.6
162.01251	0.5
162.06300	1.4
163.02148	0.4
163.03900	0.9
163.07503	23.4
164.07903	0.6
165.05446	1.3
165.09073	1.2
166.06223	1.2
167.07005	30.7
168.07339	0.6
171.07922	0.6
173.05908	0.8
174.06702	2.9
175.07487	6.1
176.04597	0.5
177.05438	9.4
177.09047	1.3
179.01620	0.4
179.07024	4.0
179.10608	0.5
180.07750	3.7
181.08548	19.2
186.55626	0.4
189.09062	52.4
190.00789	0.5
190.09401	1.6
191.06985	16.4
192.07800	3.8
193.08560	4.3
194.07391	0.4
195.06424	0.4
197.09592	0.9
201.09021	1.0
207.10118	100.0
208.01936	0.5
208.10484	2.0
209.08034	30.9
210.08476	1.1
211.07422	0.6
219.10094	4.7
221.05978	0.5
221.07968	0.5
223.04195	8.1
223.07530	0.6
225.09004	1.1
234.13321	0.3
235.07404	0.6
237.11185	0.7
240.07747	0.4
247.07492	0.5
251.10681	0.4
253.08490	1.0
255.10143	0.5
257.11710	1.0
267.10190	0.7
279.10007	0.7
283.09604	0.9
283.13062	0.8
284.07886	2.9
285.11148	2.3
295.09543	0.6
299.09229	0.5
302.11420	0.4
305.13879	0.4
311.12561	0.8
312.08975	1.9
314.11356	0.5
315.12079	1.9
317.13821	3.0
323.12836	0.4
327.12164	1.3
329.13788	2.3
330.09927	0.9
331.15286	1.2
341.13708	3.3
343.15302	7.3
355.15186	1.5
361.16360	49.9
362.16525	1.2
373.16382	8.8
391.17422	1.6
512.19360	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.5246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	3.5
57.07068	34.3
59.04986	1.8
67.05488	2.7
69.07065	5.0
70.06588	0.8
71.08623	30.0
71.52998	1.4
73.06542	8.3
74.65563	0.8
79.05474	1.6
81.07042	3.1
83.08616	5.7
84.08130	0.9
85.10171	18.1
85.10660	1.1
87.04454	9.0
89.06019	100.0
91.05470	1.3
91.07581	1.3
93.07063	1.5
95.08598	1.7
97.10166	3.6
99.08064	1.3
99.11723	3.0
105.07012	1.5
107.07053	3.4
107.08564	1.1
109.10188	0.9
111.11716	3.2
113.13272	1.6
117.09102	7.4
119.08548	1.0
121.10124	1.1
125.13225	2.0
130.08618	7.6
131.07048	1.9
133.08589	54.8
133.54781	0.8
139.14755	1.0
141.16354	1.8
161.11748	2.0
174.70647	0.9
175.09654	1.9
177.11205	25.2
197.22578	3.9
209.69525	0.7
221.13802	6.0
239.14850	1.9
241.25307	2.5
283.17584	3.0
285.27826	8.4
309.18951	1.4
327.20126	2.8
329.30447	5.9
372.82635	0.8
389.15286	0.8
397.24246	0.9
459.27917	5.8
469.09958	0.9
574.48560	1.0
647.51733	0.9
655.49945	10.6
672.41107	1.3
672.52441	7.4
673.26135	1.2
673.42657	8.6
694.47125	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.5243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	0.7
55.05503	2.7
57.03424	2.4
57.07064	98.3
58.07386	0.9
59.04989	50.7
64.49384	0.4
67.05489	1.3
68.41490	0.4
69.07056	3.3
69.36562	3.3
69.36977	0.7
71.08617	100.0
72.08946	1.2
73.02944	0.6
73.06532	0.5
75.04429	0.6
78.15311	0.4
79.05469	0.5
81.07036	1.4
83.08607	3.8
84.11423	0.4
85.10166	90.1
86.10498	1.1
87.04445	4.7
87.08093	0.9
89.06014	31.3
93.07020	0.8
95.08600	0.6
97.10138	2.3
98.20660	0.7
99.08089	0.7
99.11715	11.2
100.07638	0.6
100.68642	0.5
101.06005	1.4
101.09627	5.4
103.07576	3.1
105.07040	0.8
107.07030	1.5
111.11740	0.6
114.75597	0.4
115.07549	1.0
117.09113	16.0
119.10703	0.6
125.13212	0.8
130.08595	1.8
131.06998	1.1
133.08578	20.1
135.10118	0.5
141.16351	12.3
147.10109	1.8
149.68974	0.4
155.17899	1.3
157.12192	0.8
158.11702	0.6
159.13832	1.0
161.11739	0.4
173.87138	0.4
175.09633	1.3
175.13266	0.8
177.11188	10.8
191.12715	1.1
195.12286	0.6
199.20538	32.6
208.85190	0.5
213.21863	0.9
221.13734	1.3
227.19977	1.2
235.15375	0.9
239.14760	1.3
240.23213	3.4
257.24698	43.2
258.24905	0.9
271.26086	0.5
283.17462	12.9
315.28888	4.0
323.20596	0.9
325.10596	0.4
341.21671	6.4
381.24399	1.3
399.25589	1.8
655.48645	0.8
672.41302	2.4
672.51587	7.5
673.39850	0.5
673.53204	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.5242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	0.7
55.05504	2.6
55.78500	0.6
57.03417	1.5
57.07067	100.0
58.07405	1.3
59.04991	37.4
61.95892	0.6
62.82262	0.5
67.05499	0.9
68.10751	0.6
69.07043	3.3
69.67273	3.5
71.08620	73.1
72.04510	2.0
72.08969	0.8
72.34134	0.6
73.06570	0.6
75.30553	0.5
81.07074	1.7
83.08633	1.8
85.10169	61.7
86.10503	0.6
87.04453	5.5
89.06017	41.6
93.07063	0.6
95.08614	1.1
97.10162	3.3
99.08108	1.3
99.11715	12.1
101.06034	1.3
101.09650	5.0
103.04481	0.6
103.80385	0.6
107.07064	0.9
109.10108	0.7
113.13274	5.3
117.09110	14.7
117.09885	1.0
119.08593	0.7
130.08627	1.7
131.07057	2.3
133.08583	31.1
135.10164	0.9
155.17923	11.4
175.09688	1.8
177.11191	13.9
177.12672	0.8
191.12749	0.9
213.22096	20.7
219.12378	0.8
221.13828	3.7
238.21767	1.6
239.15013	1.2
239.22058	0.7
254.24895	1.9
265.16449	0.7
271.26288	26.6
272.26700	0.9
283.17593	2.3
291.23309	0.7
309.19180	1.3
327.20081	15.1
327.23764	0.9
328.20258	0.6
336.28857	10.5
337.29236	11.8
367.23325	1.8
385.24222	5.3
425.27530	1.6
443.28821	1.8
609.85303	0.7
655.49646	0.8
672.52338	7.2
673.52527	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4884
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02850	1.1
55.05491	4.5
57.03431	2.0
57.07064	100.0
59.04991	28.2
64.97626	1.1
67.05488	6.7
69.03412	2.7
69.07042	4.6
71.08618	80.3
72.08954	1.1
73.02894	8.4
73.06526	1.8
78.40845	1.0
79.05463	4.6
81.03387	2.0
81.07035	7.6
83.04541	1.0
83.04958	6.8
83.08602	4.6
84.08157	1.6
85.10168	68.7
87.04447	8.8
89.06014	25.2
91.05447	4.2
93.07036	7.1
95.04919	1.9
95.08591	3.8
97.10127	3.5
99.11717	14.2
101.09618	3.7
103.03224	2.2
103.03921	43.3
103.07548	2.6
104.96077	1.0
105.07013	3.6
107.08566	4.6
109.10160	1.9
113.13261	5.1
117.06982	1.9
117.09079	5.3
119.08539	2.2
121.08584	1.8
129.06992	1.5
130.08617	4.5
131.06992	3.7
131.08554	1.5
133.08577	16.0
133.10107	2.9
133.43541	1.2
147.06540	6.7
147.11681	2.3
154.75871	1.2
155.17924	12.4
163.09656	1.8
171.11655	1.4
175.01605	1.6
177.11217	7.6
181.02536	3.7
191.09062	8.1
199.20526	1.9
207.12273	2.8
213.22090	18.2
221.13741	1.8
227.04639	1.7
229.21599	2.3
229.79025	1.8
235.11696	5.9
254.24773	2.5
271.26328	9.6
283.17447	2.3
313.11926	2.8
327.19882	1.4
339.20044	1.2
367.19577	2.3
385.20389	10.3
392.83600	1.3
425.23651	2.1
443.25055	1.9
595.25323	1.5
599.25079	3.7
637.40076	1.6
655.31799	5.9
655.40991	1.9
656.30640	1.5
672.39783	19.8
672.49731	6.4
673.42151	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	672.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00289	0.3
53.03932	0.3
55.01880	0.3
55.05499	3.6
57.03434	4.7
57.07066	36.0
58.07409	0.4
60.43981	0.2
61.02916	12.4
67.05495	8.8
69.03426	1.2
69.07056	6.7
70.06580	0.3
70.78743	0.5
70.79100	0.3
71.04984	0.5
71.08618	28.8
72.08122	0.3
72.08965	0.3
73.02898	4.4
75.04468	1.9
79.05473	0.6
81.03409	1.1
81.07038	13.8
83.08603	11.4
84.08138	0.5
85.02890	15.7
85.06528	0.7
85.10165	16.9
87.04447	0.5
89.05995	1.4
91.03939	12.1
93.07027	0.6
95.08588	21.5
96.08914	0.3
97.02876	7.5
97.10149	5.8
99.04440	0.7
99.08083	0.5
99.11693	1.3
101.02397	0.4
103.03940	0.6
103.07571	0.8
107.08568	0.3
109.02872	0.6
109.10136	11.8
111.11679	1.5
113.13268	0.4
115.03907	0.8
121.10106	0.5
123.11688	4.8
125.13268	0.7
127.03896	4.6
130.08629	0.4
135.11664	0.3
137.13216	2.2
139.14818	0.4
142.58089	0.2
145.04933	6.1
149.13278	0.3
151.14783	1.0
157.62122	0.2
163.05984	10.6
165.16418	0.4
221.22583	1.0
239.23648	19.0
240.23962	0.3
257.24725	3.7
261.21997	0.3
275.25684	0.3
298.27362	0.9
313.27304	100.0
314.27655	2.1
331.28363	41.3
332.28699	0.7
401.28659	0.5
457.31607	0.5
475.32556	3.0
637.37610	0.3
672.36780	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.306
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38697	0.5
54.56015	0.5
57.07059	1.3
67.05495	0.6
69.07083	0.5
70.06576	0.6
70.39269	0.6
71.08619	0.9
77.22773	0.5
83.04964	0.6
85.10147	0.9
89.05949	0.6
98.21532	1.3
109.10143	0.8
129.38330	0.6
171.11710	0.7
235.12254	0.7
237.13928	0.8
237.83731	0.6
355.62851	0.6
367.19113	1.5
381.16946	1.1
391.19586	0.7
395.18719	1.3
405.20920	0.8
407.18292	1.0
422.21228	0.9
423.17731	0.7
426.24554	0.7
433.20407	1.0
435.21884	0.9
437.23642	1.0
438.20648	2.8
439.20944	1.4
445.20236	1.4
446.21295	0.7
447.21741	2.4
451.21024	0.8
452.21902	0.9
453.22861	6.1
454.23172	1.0
460.22580	0.8
461.23547	0.7
462.20453	1.5
463.21240	0.9
464.18393	0.8
465.22830	1.0
467.24731	1.0
469.25809	2.1
473.23560	0.9
474.24216	1.0
476.21780	1.8
477.22800	2.5
479.20453	1.3
483.23770	1.8
495.23761	1.1
497.25745	3.4
501.23322	0.9
502.23840	1.2
503.20920	1.8
512.27783	3.9
521.22614	1.3
523.19635	1.3
523.27130	1.3
525.24982	2.5
529.22742	0.8
533.25714	2.6
534.26105	1.5
535.26648	1.3
536.24078	1.0
538.25793	2.6
540.27136	8.1
545.25488	1.6
551.26593	3.5
561.24823	1.4
563.26361	2.9
579.26111	1.6
589.24109	0.9
592.22583	0.7
593.27460	1.7
607.25848	0.9
611.28418	2.5
639.27924	6.2
671.30566	100.0
671.39130	4.6
672.30975	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	671.306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.6
57.07064	2.0
58.40435	0.7
59.04977	1.2
67.05495	1.2
71.08620	1.7
71.53506	0.8
71.54198	0.8
72.20580	0.6
73.48834	0.8
76.02312	0.6
76.86621	0.6
79.05515	0.7
81.07038	1.2
85.10168	1.2
93.07005	1.1
94.61708	0.6
95.05022	0.8
95.08597	1.3
96.24364	0.7
105.23130	0.8
107.04380	0.7
107.08568	1.1
119.08572	0.8
123.23169	0.8
130.08659	0.7
133.10081	0.8
139.73729	0.7
145.06566	0.7
178.43663	0.8
185.99391	0.8
186.25049	0.6
194.56903	0.8
231.13857	1.1
353.17725	1.0
367.19113	1.0
381.17142	1.6
395.18661	1.4
410.21127	1.6
425.23398	1.0
426.24792	0.8
438.20435	2.8
439.21252	1.5
445.20227	2.4
446.20956	1.3
447.22098	1.1
449.24179	0.9
451.20981	1.3
453.22858	8.4
454.23260	1.9
459.21637	1.5
460.22485	1.7
462.20444	0.8
463.21365	1.2
465.22705	1.6
469.26080	2.0
473.22882	1.0
474.24197	2.0
476.22275	1.0
477.23114	1.9
479.20715	1.3
480.24936	0.8
483.23840	1.4
495.24271	0.8
497.25754	4.0
501.22736	1.0
502.23239	2.6
503.20789	1.5
507.23996	1.1
512.27753	3.4
520.25018	1.1
522.22876	1.1
523.19501	1.1
524.24219	0.9
525.24908	2.9
529.22284	1.7
533.25488	2.7
535.27271	0.8
538.25629	2.3
539.25879	1.0
540.27167	7.9
541.27222	0.8
545.25342	3.5
551.26898	1.9
561.24780	3.1
563.26672	1.9
579.25409	1.4
589.24609	3.5
593.27338	2.2
607.25745	1.0
611.24756	4.4
621.26611	0.8
621.46515	1.0
627.28107	1.9
639.26776	8.6
653.29883	1.2
671.30481	100.0
671.40338	13.3
672.30994	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	670.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	1.5
55.01851	1.5
55.05502	23.4
57.03429	6.1
57.07069	11.2
58.46169	1.1
61.02917	27.6
61.25267	1.0
63.63660	0.9
67.05493	27.5
67.36657	1.0
69.03422	3.3
69.07056	35.2
71.04963	2.3
71.08620	7.7
71.52707	1.5
73.02895	9.6
75.04469	1.7
79.04399	1.2
79.05481	14.9
80.63684	1.1
81.03395	1.3
81.07043	39.6
83.08602	33.3
85.02890	32.3
85.06515	2.6
85.10168	3.5
91.03935	30.2
91.05457	2.1
93.07021	18.6
95.04949	1.2
95.08588	33.1
97.02877	16.9
97.06503	8.1
97.10153	23.9
99.04424	2.1
99.08076	1.6
103.03894	1.1
107.08581	16.5
109.02856	1.3
109.10131	14.1
109.48479	1.1
111.08076	5.1
111.11708	7.0
113.09644	1.2
115.03906	2.2
115.11140	1.7
121.10122	38.4
123.11685	15.2
125.09612	1.9
127.03892	10.0
130.08626	1.6
133.10124	1.5
135.11667	34.3
137.13219	11.8
139.11169	4.4
145.04926	15.1
149.13220	14.4
151.14790	1.2
153.12708	1.5
155.14291	1.7
163.05994	22.4
163.14838	5.2
164.49718	1.2
171.13768	1.3
177.16386	1.6
202.34033	1.2
219.21045	44.3
220.21304	1.2
237.22083	87.1
238.22406	2.2
255.23166	20.9
311.25739	75.8
312.26230	1.8
329.26791	100.0
330.27206	3.5
343.91898	1.2
375.13464	1.0
445.29413	3.2
463.30362	2.0
473.31055	1.2
545.34088	1.1
617.41064	0.9
627.09467	1.0
669.82123	1.6
670.24396	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	669.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.5
57.07067	0.5
67.05479	1.3
69.07055	0.8
71.52937	0.6
71.53316	0.7
72.66107	0.4
79.05460	0.6
81.07043	1.3
85.10145	0.9
91.05479	0.7
93.07045	0.8
95.08553	0.8
99.08088	0.6
105.07034	1.2
105.56190	0.5
109.06535	0.7
115.92606	0.5
119.08531	0.7
130.08667	0.6
131.08614	0.6
133.10088	0.6
193.15900	0.6
214.76332	0.6
229.11987	1.1
247.13139	0.9
300.81049	0.5
448.10727	0.6
450.54514	0.6
463.26575	1.5
479.50516	0.6
570.58691	0.6
609.27393	0.5
669.39557	100.0
670.39801	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	670.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66898	0.7
53.03917	1.3
53.07042	0.7
55.05502	23.4
57.03431	8.9
57.07065	11.8
61.02916	24.2
64.84161	0.8
67.05494	29.2
68.05804	0.9
69.03395	3.0
69.07056	41.3
69.31726	7.1
71.04961	3.0
71.08609	7.4
73.02911	8.4
75.04452	1.7
79.05476	14.4
81.03387	2.7
81.07043	43.0
83.04959	0.8
83.08604	36.5
85.02890	28.9
85.06489	1.7
85.10160	3.4
91.03938	25.6
91.05443	2.8
92.52454	0.7
93.07027	21.8
94.23767	0.6
95.04916	0.8
95.08591	33.0
97.02873	12.7
97.06512	9.8
97.10150	23.3
99.04427	1.3
99.08049	2.1
101.02350	1.0
107.08575	16.2
109.10136	14.7
111.08066	6.7
111.11682	6.6
111.23230	0.7
113.09576	0.9
115.03925	1.4
115.11176	0.8
121.10119	39.6
121.62167	0.7
122.10426	0.9
123.11684	14.6
125.09583	3.1
125.13221	1.3
127.03889	10.6
127.11128	1.5
129.09068	0.8
130.08611	1.7
135.11667	33.7
137.13214	9.9
139.11128	3.1
141.12633	1.1
145.04942	11.3
149.13226	13.5
151.14810	1.6
153.12697	3.2
163.05992	23.1
163.14755	6.7
167.14261	1.5
173.59465	0.8
177.16373	2.6
185.15376	0.7
199.16899	0.9
219.21036	40.3
220.21439	1.0
236.37575	0.7
237.22084	92.7
238.22491	2.3
255.23134	25.4
265.23563	0.8
266.18921	0.8
296.25778	1.3
303.26794	1.6
311.25745	94.3
312.26007	4.1
329.26797	100.0
330.27151	3.3
473.31122	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	669.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.4
57.07061	0.3
59.04983	0.4
67.05480	0.7
67.52332	0.2
69.07059	0.3
70.58466	0.5
70.58834	0.4
71.04995	0.2
71.08616	0.6
75.04416	0.2
79.05491	0.3
81.07030	0.8
82.34198	0.3
83.08623	0.3
85.06528	1.1
85.10172	0.5
89.06010	0.5
91.05470	0.4
93.07033	0.9
95.08604	0.6
99.08078	8.9
100.08408	1.4
105.07008	0.5
107.08585	0.8
109.06523	0.2
109.10140	1.9
110.10476	0.3
119.08567	0.9
121.10143	0.4
123.08140	0.3
123.11702	0.4
131.08475	0.2
133.10117	2.1
134.10472	0.8
135.11676	0.9
136.11986	0.3
137.09590	0.5
147.11642	0.2
155.65559	0.2
173.13301	0.3
175.14824	0.7
176.15132	0.3
193.15845	6.9
194.16196	3.0
229.12003	0.3
457.17276	0.2
463.26660	0.8
586.12079	0.3
617.27747	0.3
669.39594	100.0
670.39935	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	669.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.3
57.07062	0.4
59.04977	0.3
64.44304	0.2
67.05485	1.2
69.07043	0.3
69.26569	0.4
69.26972	2.1
71.08604	0.6
79.05500	0.6
81.07038	0.9
81.28598	0.2
83.08603	0.3
85.06525	1.2
85.10158	0.4
89.06014	0.5
91.05448	0.3
93.07039	1.3
95.04951	0.4
95.08592	1.0
96.08897	0.2
98.20799	0.6
98.21450	0.4
99.08076	10.1
99.15331	0.2
100.08401	1.7
105.07014	0.5
107.08591	1.3
108.08881	0.2
109.06500	0.4
109.10148	1.6
110.10490	0.4
113.01682	0.2
119.08566	0.9
121.10135	0.4
123.08047	0.2
123.11684	0.5
124.12026	0.3
131.08499	0.2
133.10094	2.1
134.10445	0.9
135.11688	1.4
136.11978	0.3
137.09610	0.8
138.09923	0.3
147.11679	0.2
151.11180	0.4
175.14777	0.7
176.15201	0.3
190.07590	0.2
193.15846	8.3
194.16174	4.2
206.26228	0.2
229.11942	0.3
248.13010	0.3
351.47766	0.2
410.11664	0.3
463.26691	0.7
602.94153	0.3
669.39594	100.0
670.39929	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	669.2906
Annotation	Agrimol G
Peak:m/z	Relative Intensity
50.17964	0.9
55.05497	0.9
57.07057	1.3
69.07063	1.3
70.41061	0.8
71.08622	1.2
71.55007	1.3
79.05502	0.7
81.07040	1.0
83.08603	0.9
91.05450	1.0
95.08594	1.7
99.62570	0.8
105.07000	1.1
107.08580	1.4
109.10161	0.8
119.08571	1.1
130.08598	1.2
207.26521	0.8
211.12451	0.7
223.12326	0.9
224.12985	1.0
225.13829	2.2
237.13956	1.0
249.13872	1.0
260.13162	1.0
266.14127	0.9
267.14719	1.0
275.15350	0.9
379.19022	0.9
393.20901	1.3
405.21030	1.2
407.22345	2.1
420.19443	1.7
421.20184	4.2
422.20966	0.9
433.20395	1.1
434.21603	1.0
435.21768	5.0
436.22574	3.5
437.23346	1.9
448.18036	1.5
449.23645	7.7
450.23868	2.1
461.19528	2.9
462.20139	2.0
463.20709	11.9
473.23499	1.1
475.21399	1.9
476.21906	3.3
477.23334	1.3
479.24237	1.0
490.23514	1.3
491.25140	1.3
495.23636	7.4
503.20697	1.0
505.26080	1.2
507.23520	2.8
508.24615	1.1
521.25482	1.8
522.26239	2.9
523.27045	24.3
523.34521	1.7
524.27063	1.0
531.23761	1.1
532.24121	1.3
535.23102	2.1
549.25256	4.7
550.25629	6.0
551.26660	1.6
562.21893	1.2
564.27130	1.1
565.27930	1.3
567.25793	1.4
577.24353	3.1
581.27344	1.6
582.28253	23.1
583.28809	1.4
591.25830	2.1
605.23785	2.0
609.26862	11.6
610.26709	1.3
622.27679	2.5
637.26477	13.9
651.27985	2.4
668.59442	1.8
669.29028	100.0
670.29199	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	668.4719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.7
55.01854	0.8
55.05498	8.5
56.04264	0.7
57.03413	1.5
57.07053	4.9
59.04983	4.3
65.71365	0.6
67.05497	13.9
69.03416	5.0
69.07055	5.6
70.12543	3.4
71.04979	3.7
71.08630	3.8
74.09704	0.6
79.05481	8.7
81.03399	5.6
81.06594	0.7
81.07044	13.6
83.04963	4.1
83.08599	4.6
85.02885	3.6
85.06538	7.2
85.10185	3.2
87.04435	1.5
89.06005	3.2
91.05457	6.3
93.07030	18.5
95.04956	9.3
95.08595	19.2
97.02875	2.4
97.06494	1.5
97.10120	1.6
98.06039	0.8
99.04432	4.1
99.08079	58.8
101.05991	1.8
105.07017	6.1
107.04925	1.1
107.08575	15.9
109.02836	1.4
109.06463	2.0
109.10141	23.2
110.10484	0.7
111.04411	1.0
111.08065	1.6
111.11752	0.7
113.05982	1.1
113.09579	1.1
117.06982	2.5
117.09090	0.7
119.08562	8.1
121.10133	7.8
123.08053	0.9
123.11724	4.3
125.09628	3.6
126.48970	0.7
127.03876	2.1
127.07499	1.1
127.11200	0.8
131.08559	4.0
133.08542	1.9
133.10106	12.6
135.08038	0.9
135.11668	16.7
137.09599	9.3
139.11147	0.8
142.08635	1.6
143.08543	0.9
145.10074	2.9
147.08031	0.9
147.11696	3.5
149.13234	2.4
151.11177	1.8
151.14755	2.7
153.12779	1.6
155.10640	13.7
157.10133	0.9
159.11691	2.0
161.13150	1.5
165.12700	0.9
165.16386	2.3
171.11652	1.4
173.13251	2.0
175.14799	8.0
189.12770	2.0
191.14096	0.8
193.15849	38.1
207.13914	0.8
209.15472	0.9
211.16895	100.0
212.17175	1.6
229.17889	2.0
235.16965	0.7
261.22076	1.8
291.26675	0.7
301.18253	0.7
319.18796	1.2
369.24176	1.6
387.25208	2.8
405.26212	3.3
423.27258	1.5
597.40900	0.8
615.43097	1.7
633.43329	10.8
634.43958	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.4719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.4
55.05500	2.3
57.03429	0.4
57.07054	1.1
59.04990	1.1
67.05492	6.4
67.62057	0.3
69.03419	0.7
69.07053	1.9
70.12890	1.3
71.04968	0.6
73.02926	0.3
79.05478	2.8
81.03394	1.1
81.07047	4.3
83.04980	0.6
83.08612	1.1
84.08138	0.3
85.02921	0.4
85.06529	8.5
88.68349	0.3
91.05476	2.4
92.54219	0.4
93.07030	7.4
95.04933	1.2
95.08590	5.8
97.02882	0.4
97.06519	0.5
97.10151	0.4
99.08078	91.4
100.08418	0.8
103.47929	0.3
103.73248	0.3
105.07009	2.7
107.08578	6.4
109.06509	1.2
109.10140	14.1
111.08042	0.4
112.68819	0.3
117.06995	0.4
119.08565	4.8
121.10135	3.6
123.08044	1.3
123.11697	2.9
125.09634	0.5
125.95972	0.4
129.07030	0.4
130.09956	0.3
131.08536	0.7
133.10109	25.1
134.10440	0.8
135.11668	11.2
137.09604	4.8
145.10112	0.6
147.11658	1.4
149.13219	0.6
151.11165	3.0
155.07024	0.4
161.09618	0.3
165.16386	1.0
171.11598	0.4
173.13234	0.4
175.11273	0.4
175.14798	7.0
191.14368	0.3
192.14470	0.4
193.15849	100.0
194.16217	2.9
211.13260	3.5
211.16833	0.6
229.14273	1.4
229.17941	0.7
369.24051	0.9
387.25214	0.9
405.26096	1.0
625.51691	0.4
668.30286	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
66.47939	0.9
67.05476	2.9
69.03418	1.4
69.07056	34.3
69.53039	7.3
70.06568	2.0
72.08159	1.1
79.05474	3.4
81.03411	1.4
81.07035	2.3
84.08127	6.8
85.02892	1.6
86.09701	1.1
86.37361	0.9
91.05437	1.5
93.07018	2.5
94.06552	1.8
95.04944	2.9
95.08574	3.1
97.06509	1.7
98.20686	1.0
101.60946	0.8
105.06989	1.6
106.06532	3.0
107.04929	2.0
107.08553	0.9
108.08104	5.3
110.06024	1.6
111.04407	1.0
112.07494	0.9
119.08559	1.5
120.04288	0.9
120.08072	2.0
121.08849	1.1
122.05998	4.1
123.04430	1.0
124.07606	4.7
124.40228	1.0
130.08640	2.8
134.05995	1.0
135.04372	1.5
136.07552	3.8
137.05930	2.6
138.05472	9.1
140.07039	70.7
141.07373	1.6
145.10039	1.2
146.06000	4.5
148.07558	10.0
150.05501	1.4
150.09094	7.0
151.07613	1.0
152.07043	42.1
153.07315	1.3
158.06015	1.1
160.07507	1.1
161.09520	1.3
162.05528	1.6
162.09067	2.3
164.07024	5.1
166.08609	29.1
167.07008	3.0
172.03905	2.4
174.05426	4.8
174.09048	1.7
176.07025	4.0
178.08704	1.1
181.04980	1.7
190.04979	2.5
192.06522	1.9
192.10139	5.0
194.08090	4.6
197.10646	1.3
198.11433	1.4
204.06587	3.5
208.09708	1.1
210.11458	1.5
211.12291	2.2
212.12968	1.6
213.10156	3.1
214.83960	1.0
215.11832	1.1
216.10220	2.3
217.13219	1.0
218.08154	5.2
220.09698	2.0
224.12981	1.2
225.10185	3.8
225.13876	1.7
226.10867	1.5
227.08185	1.2
227.11684	2.0
231.11353	1.1
233.12941	1.2
236.09383	1.1
237.10103	5.1
237.13907	2.0
238.10936	3.7
239.11743	16.4
240.10236	1.3
240.12592	2.7
241.09631	1.5
241.13248	1.3
242.11794	1.4
243.11249	2.7
244.09587	1.1
245.12817	1.3
246.07443	1.2
249.10170	2.5
250.10788	1.6
251.11757	8.9
252.12480	3.4
253.09967	2.2
253.13184	5.2
255.11299	1.7
257.12674	1.9
259.10699	2.1
261.12311	5.0
263.11679	3.2
264.08594	1.2
264.12329	1.5
265.09711	4.9
265.13303	12.1
266.10333	2.9
266.13849	1.2
267.11188	7.6
267.14474	0.9
268.09570	1.4
269.12793	4.0
271.11163	2.1
271.14423	4.8
272.15164	1.3
277.09979	1.0
277.13208	1.3
278.10449	1.8
279.11209	20.3
280.11978	6.7
281.09540	1.8
281.12805	8.8
282.13373	1.6
283.10727	3.8
284.11572	2.0
285.12314	8.0
287.10220	4.8
287.13818	10.4
291.11285	1.6
293.09348	1.4
293.12805	3.7
295.10779	3.3
295.14380	4.7
296.11490	3.2
297.12308	17.2
298.13086	17.4
299.10736	1.4
299.13651	6.3
303.13553	2.1
305.14932	3.5
307.10809	1.2
309.12210	10.8
310.13101	6.4
311.10208	5.7
311.13800	18.1
312.14481	4.5
313.11743	14.3
313.15405	8.9
315.13419	1.5
318.12720	1.0
321.12247	2.1
322.13055	1.4
323.09995	1.5
324.10931	5.3
325.11606	5.0
327.13181	1.9
329.11282	2.1
329.14874	1.6
331.12958	3.2
333.15540	1.4
337.11728	7.1
338.12433	7.5
339.13318	16.7
340.14072	4.2
341.11234	1.3
345.14551	1.8
346.15457	2.4
347.15851	1.8
348.16962	3.1
353.11264	2.0
355.13150	1.6
360.16983	1.1
364.16504	2.2
369.13986	1.4
370.14908	2.0
371.15918	5.3
372.16992	2.3
373.13898	3.2
374.14374	1.8
377.17239	2.4
378.18289	1.5
379.19107	1.0
380.19626	1.7
385.13678	1.3
388.16406	1.6
390.18204	2.1
392.15530	1.8
392.19794	2.8
400.16647	1.6
401.13379	3.6
404.15582	1.7
406.17343	2.5
410.20459	4.5
417.16058	2.0
418.17593	4.6
419.17111	1.2
420.19141	3.0
432.19064	2.5
434.21075	6.4
435.17941	1.5
436.18588	3.6
437.19400	6.7
438.20316	7.0
449.68448	1.1
450.20190	24.1
451.20297	1.3
452.21750	100.0
453.22324	4.6
458.16663	1.8
460.18701	4.9
462.20123	2.6
464.17926	7.6
465.18518	1.2
476.17831	1.4
478.19626	69.2
479.20071	3.8
480.20932	3.5
492.21371	1.7
496.20670	17.0
508.47961	1.0
510.22241	48.8
511.22464	3.2
512.22888	1.7
557.23785	2.0
575.24591	2.7
591.28308	4.6
599.24805	9.7
600.25677	1.3
617.25897	33.9
635.26996	96.2
636.26581	1.6
667.29730	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	667.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.9
55.01856	1.0
55.05485	2.5
67.05497	3.8
67.05776	0.7
69.03398	1.4
69.07057	3.7
69.22664	5.7
69.23093	2.4
70.06588	3.7
71.04956	1.1
76.12249	0.7
77.03888	0.7
79.05480	4.1
80.04990	0.9
81.03394	2.0
81.07049	4.7
82.06554	2.3
83.04932	1.3
84.04467	0.7
84.08127	3.8
85.02893	1.9
85.06503	1.4
86.09673	2.1
91.05450	8.5
93.07025	12.9
94.06553	4.3
95.04948	4.4
95.08580	5.9
97.02869	1.2
97.06457	1.1
98.06049	0.8
99.04377	0.7
100.07574	1.2
100.11272	0.8
103.05430	1.1
105.07020	3.9
106.06513	2.2
107.04913	1.5
107.08549	3.4
108.08089	3.6
109.02835	0.9
109.06469	2.0
109.10121	3.1
110.06021	1.9
111.08058	6.8
112.07581	0.9
117.06974	1.7
119.04890	2.2
119.08548	3.7
120.08070	2.7
121.06470	2.2
121.10135	5.4
122.03568	0.8
122.05995	10.1
123.04412	1.2
123.08021	1.1
123.11688	1.1
124.07581	7.6
127.03879	1.6
129.06934	0.9
130.08603	2.4
131.04866	0.9
131.08592	1.6
132.08040	1.1
133.06477	1.3
133.10089	2.1
134.06009	2.0
134.09618	4.8
135.08002	4.4
136.06430	1.2
136.07542	17.3
137.05920	5.7
138.05418	1.6
138.09106	3.9
140.03413	1.3
140.07030	11.1
143.08549	1.5
145.02834	0.8
145.10094	1.5
146.05963	2.7
146.08122	4.7
146.09583	1.7
147.04369	3.0
147.06741	0.9
147.08139	0.8
147.11600	1.1
148.07571	4.9
149.09604	2.2
150.09074	5.2
151.11110	1.0
152.07031	2.6
152.10658	4.7
154.04967	2.3
154.08609	8.7
158.05946	1.4
158.09581	0.8
159.11681	1.2
160.07538	3.2
162.05457	1.6
162.09102	41.5
163.03847	2.6
163.07465	2.6
163.11183	1.3
164.07019	7.5
164.10649	1.9
166.08591	9.0
167.07059	1.8
168.10152	1.1
170.09573	1.1
171.09138	3.0
172.03761	1.8
172.07582	1.7
173.10760	5.0
174.05457	2.0
174.09081	4.7
175.03842	1.6
176.07043	2.1
176.10646	1.5
177.05396	1.3
178.04936	0.8
178.08572	2.6
180.10159	35.6
181.04935	1.1
182.08118	2.9
182.09578	0.8
183.09155	1.0
184.07558	1.0
189.10295	0.8
190.08603	7.9
191.05592	0.9
192.10144	5.3
193.10460	0.9
196.09630	5.7
198.09164	2.5
199.08614	7.4
200.07086	1.9
200.09187	1.7
201.10257	5.8
202.08582	2.3
204.06471	4.2
204.10019	1.1
206.08090	2.3
207.06508	1.4
208.09641	85.4
209.10081	1.3
211.08618	2.6
212.09274	1.0
213.10179	10.1
214.08730	1.5
214.10637	1.2
215.08110	8.5
215.11792	1.5
216.10152	1.0
217.09653	1.5
218.08055	3.0
219.08603	1.0
220.09666	5.1
221.10690	0.8
223.08504	1.7
225.06532	1.2
225.10144	2.9
226.08539	2.6
226.10744	2.9
227.08090	15.8
227.11717	1.7
228.08839	2.3
229.09648	4.5
229.13249	1.2
231.11194	1.8
237.10146	2.8
238.10719	11.1
239.08011	2.8
239.11694	3.1
241.09686	19.7
241.13419	1.0
242.10310	1.5
243.11249	17.5
245.09178	5.5
246.07545	4.8
249.10254	1.9
250.10847	1.2
251.08058	1.4
251.11807	2.6
253.09689	4.9
254.10367	1.1
255.11285	2.1
257.09180	7.5
259.10724	19.1
259.13443	1.1
261.12418	1.5
263.11728	2.6
264.08719	2.9
265.09729	7.4
265.12491	1.2
266.10513	1.8
267.08093	1.5
267.11227	8.1
269.09149	15.6
269.12344	1.5
271.10693	3.1
271.14331	5.9
273.08438	0.8
275.10251	4.4
277.09677	1.7
279.11304	4.4
281.09186	3.6
281.12814	1.4
283.10718	4.9
285.08658	8.0
285.12247	4.8
286.09393	3.1
287.10205	100.0
288.10623	3.2
289.11795	2.6
289.15396	5.2
291.11075	1.6
293.09137	4.1
293.12473	1.3
294.09631	1.2
295.10736	9.1
296.11404	1.4
297.08884	1.2
297.12292	3.0
299.10101	2.0
300.12021	1.0
301.11710	0.9
303.13300	3.1
305.11359	1.1
307.10376	1.7
309.08783	1.0
309.12329	4.4
311.10184	8.8
311.13931	2.4
312.08371	1.3
313.11728	7.6
315.13464	1.9
319.12903	14.8
321.08667	1.8
323.10220	1.0
323.13629	0.9
325.11719	4.7
327.13147	2.0
329.11472	1.1
329.15109	1.3
331.12857	3.9
336.10919	1.1
337.11749	5.0
339.09689	7.5
339.13147	0.7
341.11227	3.8
342.12228	1.2
342.16153	1.0
343.12842	1.9
344.10922	1.0
345.14484	1.6
347.12500	1.1
353.11194	11.0
354.11902	1.6
355.12848	10.7
356.13565	0.8
357.10843	1.5
358.15311	1.3
360.16934	1.1
361.13736	4.3
365.13925	0.9
369.14536	1.9
371.12378	1.4
373.14053	2.1
374.14789	1.2
387.15247	3.4
388.16443	2.1
392.15823	1.0
393.14136	0.8
410.17041	12.5
416.15762	2.4
417.13605	1.1
418.17722	1.0
420.18939	2.2
430.17493	2.5
431.15952	0.9
432.19208	2.0
434.16928	2.2
442.19763	4.0
448.18927	4.4
449.16925	1.9
450.20236	2.9
458.17038	3.8
460.18051	1.6
462.16068	1.7
468.21246	1.6
476.18085	17.8
477.17203	3.3
478.19730	9.3
480.17548	0.9
494.19125	63.8
495.18091	4.2
496.20428	2.3
508.20749	10.6
510.22314	8.0
512.20203	29.0
513.20703	1.3
514.21198	1.0
526.21747	91.4
527.21918	3.4
542.21289	1.6
544.22809	29.0
555.25922	1.2
562.05164	0.8
569.24792	0.8
581.23663	2.3
599.24768	23.3
600.24030	1.6
617.25793	33.9
631.27155	7.9
635.26746	5.0
649.28558	18.0
667.28619	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	667.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
66.47939	0.9
67.05476	2.9
69.03418	1.4
69.07056	34.3
69.53039	7.3
70.06568	2.0
72.08159	1.1
79.05474	3.4
81.03411	1.4
81.07035	2.3
84.08127	6.8
85.02892	1.6
86.09701	1.1
86.37361	0.9
91.05437	1.5
93.07018	2.5
94.06552	1.8
95.04944	2.9
95.08574	3.1
97.06509	1.7
98.20686	1.0
101.60946	0.8
105.06989	1.6
106.06532	3.0
107.04929	2.0
107.08553	0.9
108.08104	5.3
110.06024	1.6
111.04407	1.0
112.07494	0.9
119.08559	1.5
120.04288	0.9
120.08072	2.0
121.08849	1.1
122.05998	4.1
123.04430	1.0
124.07606	4.7
124.40228	1.0
130.08640	2.8
134.05995	1.0
135.04372	1.5
136.07552	3.8
137.05930	2.6
138.05472	9.1
140.07039	70.7
141.07373	1.6
145.10039	1.2
146.06000	4.5
148.07558	10.0
150.05501	1.4
150.09094	7.0
151.07613	1.0
152.07043	42.1
153.07315	1.3
158.06015	1.1
160.07507	1.1
161.09520	1.3
162.05528	1.6
162.09067	2.3
164.07024	5.1
166.08609	29.1
167.07008	3.0
172.03905	2.4
174.05426	4.8
174.09048	1.7
176.07025	4.0
178.08704	1.1
181.04980	1.7
190.04979	2.5
192.06522	1.9
192.10139	5.0
194.08090	4.6
197.10646	1.3
198.11433	1.4
204.06587	3.5
208.09708	1.1
210.11458	1.5
211.12291	2.2
212.12968	1.6
213.10156	3.1
214.83960	1.0
215.11832	1.1
216.10220	2.3
217.13219	1.0
218.08154	5.2
220.09698	2.0
224.12981	1.2
225.10185	3.8
225.13876	1.7
226.10867	1.5
227.08185	1.2
227.11684	2.0
231.11353	1.1
233.12941	1.2
236.09383	1.1
237.10103	5.1
237.13907	2.0
238.10936	3.7
239.11743	16.4
240.10236	1.3
240.12592	2.7
241.09631	1.5
241.13248	1.3
242.11794	1.4
243.11249	2.7
244.09587	1.1
245.12817	1.3
246.07443	1.2
249.10170	2.5
250.10788	1.6
251.11757	8.9
252.12480	3.4
253.09967	2.2
253.13184	5.2
255.11299	1.7
257.12674	1.9
259.10699	2.1
261.12311	5.0
263.11679	3.2
264.08594	1.2
264.12329	1.5
265.09711	4.9
265.13303	12.1
266.10333	2.9
266.13849	1.2
267.11188	7.6
267.14474	0.9
268.09570	1.4
269.12793	4.0
271.11163	2.1
271.14423	4.8
272.15164	1.3
277.09979	1.0
277.13208	1.3
278.10449	1.8
279.11209	20.3
280.11978	6.7
281.09540	1.8
281.12805	8.8
282.13373	1.6
283.10727	3.8
284.11572	2.0
285.12314	8.0
287.10220	4.8
287.13818	10.4
291.11285	1.6
293.09348	1.4
293.12805	3.7
295.10779	3.3
295.14380	4.7
296.11490	3.2
297.12308	17.2
298.13086	17.4
299.10736	1.4
299.13651	6.3
303.13553	2.1
305.14932	3.5
307.10809	1.2
309.12210	10.8
310.13101	6.4
311.10208	5.7
311.13800	18.1
312.14481	4.5
313.11743	14.3
313.15405	8.9
315.13419	1.5
318.12720	1.0
321.12247	2.1
322.13055	1.4
323.09995	1.5
324.10931	5.3
325.11606	5.0
327.13181	1.9
329.11282	2.1
329.14874	1.6
331.12958	3.2
333.15540	1.4
337.11728	7.1
338.12433	7.5
339.13318	16.7
340.14072	4.2
341.11234	1.3
345.14551	1.8
346.15457	2.4
347.15851	1.8
348.16962	3.1
353.11264	2.0
355.13150	1.6
360.16983	1.1
364.16504	2.2
369.13986	1.4
370.14908	2.0
371.15918	5.3
372.16992	2.3
373.13898	3.2
374.14374	1.8
377.17239	2.4
378.18289	1.5
379.19107	1.0
380.19626	1.7
385.13678	1.3
388.16406	1.6
390.18204	2.1
392.15530	1.8
392.19794	2.8
400.16647	1.6
401.13379	3.6
404.15582	1.7
406.17343	2.5
410.20459	4.5
417.16058	2.0
418.17593	4.6
419.17111	1.2
420.19141	3.0
432.19064	2.5
434.21075	6.4
435.17941	1.5
436.18588	3.6
437.19400	6.7
438.20316	7.0
449.68448	1.1
450.20190	24.1
451.20297	1.3
452.21750	100.0
453.22324	4.6
458.16663	1.8
460.18701	4.9
462.20123	2.6
464.17926	7.6
465.18518	1.2
476.17831	1.4
478.19626	69.2
479.20071	3.8
480.20932	3.5
492.21371	1.7
496.20670	17.0
508.47961	1.0
510.22241	48.8
511.22464	3.2
512.22888	1.7
557.23785	2.0
575.24591	2.7
591.28308	4.6
599.24805	9.7
600.25677	1.3
617.25897	33.9
635.26996	96.2
636.26581	1.6
667.29730	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	667.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51388	0.7
67.08098	0.8
69.07030	1.8
70.91876	0.9
70.92188	1.3
94.06559	1.3
106.06507	2.0
110.98325	0.9
122.05992	5.1
132.32816	0.8
136.07541	7.9
138.05434	0.9
140.07010	9.5
142.36292	0.8
146.05948	2.7
148.07544	2.9
152.06963	1.1
164.07033	17.4
166.08620	14.9
166.73567	0.8
172.03975	2.0
174.05486	2.8
176.07043	3.4
184.27525	0.8
190.04988	1.3
204.06522	2.8
206.08148	1.5
210.11430	1.0
211.12259	1.1
218.27974	0.9
218.91544	0.8
222.11504	0.9
223.12282	2.0
235.12106	1.1
236.09204	0.9
236.13045	1.0
237.10188	5.2
238.11021	2.7
239.11717	4.7
247.12244	1.0
248.09398	2.0
249.10074	4.1
250.10880	3.2
251.11696	8.4
252.12376	1.0
253.13361	2.5
261.12299	2.2
263.11725	14.7
264.12460	2.6
265.09744	5.0
265.13324	22.7
265.15982	1.4
266.13962	2.0
267.11328	1.1
268.12079	1.0
269.12738	1.4
271.14233	1.3
277.09644	5.4
278.10431	2.0
279.11212	34.4
280.11783	2.5
281.12762	1.2
283.14374	2.0
285.12286	1.7
287.13797	3.8
291.11087	5.8
292.11954	2.4
293.12830	5.7
294.13474	1.3
295.10693	6.1
295.13629	1.0
296.11392	1.5
297.12253	13.8
298.13123	1.9
303.13504	0.8
305.14810	0.9
309.12259	44.6
310.13019	19.6
311.13803	23.4
311.17264	1.7
312.14594	3.6
313.11786	3.2
313.15375	2.1
319.10751	8.7
321.12125	2.4
323.16013	1.7
337.11734	100.0
338.08447	1.6
338.12509	30.1
339.13254	15.0
345.14413	1.7
357.14307	1.7
369.14371	21.8
370.15112	4.4
371.15991	11.5
372.16660	1.0
399.15701	2.5
400.16556	2.6
401.13412	4.5
416.16052	1.7
434.16708	1.4
450.19910	1.0
452.21722	45.8
453.22000	1.3
458.16885	2.6
476.18188	4.4
478.19626	57.2
479.19824	1.3
480.21356	1.1
494.18982	4.3
496.20691	11.2
510.22223	73.8
511.22635	2.8
575.24817	3.3
591.27454	1.0
599.24860	8.3
607.27148	1.7
617.25818	7.5
631.27362	1.6
635.26953	28.7
667.29736	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	667.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
61.07371	0.3
61.62061	0.3
62.32626	0.3
67.05462	0.3
69.07043	0.9
70.06583	0.3
70.96709	0.7
82.69769	0.2
84.08140	0.3
88.62183	0.3
93.05792	0.4
93.91048	0.3
94.06534	0.8
106.06490	0.6
108.08092	0.5
108.18085	0.3
120.04526	0.3
122.06003	2.2
134.05978	0.8
136.07545	5.7
138.05458	1.0
138.75352	0.3
140.07045	4.3
144.07979	0.3
146.05971	1.6
146.09627	1.0
148.07541	1.0
150.09122	0.4
152.07085	0.9
154.04851	0.3
154.08630	0.3
162.05502	0.7
162.09097	0.7
164.07039	10.1
164.08406	0.6
166.08606	4.4
166.39822	0.3
172.03928	1.7
174.05536	1.4
176.07051	2.2
183.21715	0.3
190.04919	0.4
192.06450	0.3
194.18413	0.3
204.06509	3.3
206.08049	1.3
208.09554	0.4
209.10620	0.3
210.11438	1.5
211.12334	0.7
221.10759	0.4
222.11537	0.9
223.12291	0.8
224.12904	0.6
225.10229	0.7
225.13721	0.4
227.11632	0.4
235.08710	0.9
235.12329	1.2
236.09309	0.3
236.12947	0.5
237.10207	3.1
237.13760	1.5
238.10863	1.9
239.11719	2.9
247.12251	0.6
248.09454	2.1
249.10153	3.2
250.10930	2.7
251.11720	4.8
252.12398	0.6
253.09689	0.4
253.13371	0.8
255.11331	0.6
261.12241	0.5
262.11053	0.5
263.11746	14.4
264.08865	0.9
264.12503	2.8
265.09753	3.8
265.13327	14.3
266.10468	0.6
266.13959	1.0
267.11279	1.5
269.12711	1.4
271.14536	0.3
273.12659	0.3
277.09641	1.3
277.13043	0.5
278.10413	1.2
279.11218	18.6
280.11859	1.7
281.12750	1.8
282.13586	1.0
283.10736	0.5
283.14319	0.7
284.11566	0.5
285.12262	0.4
287.13852	1.1
291.11185	4.7
292.11975	1.2
293.12842	4.0
294.10046	0.3
294.13544	0.8
295.10715	1.7
295.13986	0.5
296.11572	0.9
297.12299	10.7
298.12903	1.6
299.14050	0.4
309.12265	33.8
310.13007	12.0
311.13806	7.0
312.13989	0.6
313.11801	1.1
313.15234	0.5
319.10727	3.2
320.11356	0.6
321.12292	1.0
323.10092	0.4
323.16141	0.4
325.11798	0.5
327.13474	0.5
337.11755	27.6
338.12524	12.8
339.13324	6.1
340.14041	0.6
341.14819	0.4
345.14313	2.1
349.67233	0.3
351.13394	0.6
355.12897	0.4
357.14572	0.5
369.14386	35.5
370.15115	7.3
371.15939	6.6
372.16791	0.4
398.14752	0.5
399.15640	0.8
400.16452	0.8
416.15918	0.6
417.16510	0.5
418.17999	0.4
434.16833	0.6
438.19818	0.4
439.48196	0.3
440.16034	0.5
450.20197	0.9
452.21710	6.8
453.22067	0.5
458.16803	0.9
459.17374	0.7
476.18179	1.0
478.19635	6.0
479.19733	0.5
480.21469	0.5
494.19119	1.1
496.20642	1.2
498.22211	0.4
510.22269	100.0
511.22614	7.8
526.21802	0.3
573.70398	0.3
575.24976	0.9
599.24933	3.7
607.27423	0.6
617.25995	2.5
618.26141	0.4
631.27563	2.5
632.27429	0.5
635.27081	7.7
636.27087	0.7
649.28748	0.7
667.29529	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	666.4925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
55.01869	3.5
55.05505	5.5
57.03434	2.0
57.07065	2.6
58.73929	0.8
66.57580	0.9
67.05492	15.6
69.07067	7.6
69.07390	1.3
69.82742	3.7
71.08607	1.7
79.05495	5.8
80.69822	0.9
81.07047	31.4
83.04971	2.4
83.08600	3.2
89.22977	0.8
90.94115	0.8
91.05493	2.9
93.07035	5.0
95.08598	13.6
97.10168	1.6
98.21471	1.8
105.07015	3.2
107.08563	5.6
109.06498	8.0
109.10168	5.7
111.04429	14.5
111.08067	1.2
119.08567	3.7
121.10149	4.5
123.08030	2.2
123.11689	3.0
125.05974	2.5
131.08559	1.2
133.10114	4.7
135.08043	1.7
135.11682	6.0
137.05960	100.0
137.13226	1.9
138.06314	1.8
143.08556	1.1
145.10089	1.4
147.07959	1.1
147.11739	6.5
149.09579	4.3
149.13202	2.0
151.07559	2.6
151.92542	0.8
155.43184	0.8
157.10130	1.6
161.09595	5.2
161.13277	2.8
163.11153	2.6
163.14839	1.9
165.09128	2.2
171.11723	0.9
173.13263	0.8
175.11198	4.8
175.14760	2.1
177.12740	1.5
179.10680	1.9
185.13335	1.0
193.12286	1.1
203.17953	6.3
213.16396	3.2
221.18985	1.9
231.17378	4.8
249.18459	6.8
263.23584	1.1
277.17960	39.0
278.07053	0.9
295.19009	11.4
337.27328	27.4
340.91864	0.9
351.21625	22.0
613.44556	71.6
614.44818	3.5
631.45398	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	667.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30125	0.3
71.50997	0.3
74.02448	0.6
81.03371	0.2
85.02898	0.4
91.05402	0.4
105.01891	0.5
109.02861	0.2
115.05457	0.9
117.05765	0.6
117.06998	0.8
118.06522	14.1
119.06838	0.3
120.08147	0.3
127.03924	0.6
130.06519	1.0
132.08073	4.4
136.07550	0.2
137.05937	0.3
142.06487	1.9
143.07263	1.8
144.04451	0.6
144.08067	11.5
145.08415	0.3
146.05988	55.7
147.04372	0.9
147.06326	0.9
159.09163	6.1
160.07567	0.9
170.05978	3.7
177.05446	0.4
179.07094	0.3
188.07036	100.0
189.07376	2.3
201.65958	0.3
205.09692	49.8
206.10036	0.8
308.61646	0.3
360.71848	0.3
372.81284	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.4566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.9
55.01845	3.8
55.05505	19.3
56.96941	2.0
57.01989	2.1
57.03430	5.4
57.07064	5.7
59.04985	2.9
65.03918	4.8
67.05493	40.7
69.03425	20.7
69.07056	18.0
71.04982	15.6
73.02886	4.1
74.09714	2.5
79.05479	30.2
81.03410	24.3
81.07047	52.1
83.04990	13.0
83.08600	11.1
84.08138	2.4
85.02887	11.3
87.04450	4.1
89.06037	4.8
91.05456	35.1
93.07026	53.3
95.04952	23.1
95.08587	47.5
97.02881	15.1
97.06526	10.4
97.10200	3.0
99.04443	7.3
99.08067	4.9
105.07011	58.7
107.04936	2.7
107.08572	49.7
109.02851	6.3
109.06513	30.4
109.10119	23.4
109.93336	2.2
111.04453	4.0
111.08066	5.7
115.07564	5.3
117.07006	18.0
119.08566	40.8
121.06478	4.6
121.10121	40.0
123.04430	2.5
123.08041	8.7
123.11684	7.2
125.09580	2.8
127.03896	7.6
129.06989	8.1
130.08617	3.2
131.08537	46.0
133.10107	86.7
135.08058	10.7
135.11671	23.5
137.09599	5.3
139.11115	4.0
143.08560	15.9
144.09390	2.8
145.10098	28.6
146.08076	4.4
147.08044	3.3
147.11673	24.0
149.09616	4.1
149.13275	13.9
151.11104	3.2
153.09102	12.0
155.08521	4.4
157.10097	6.3
158.10870	21.5
159.11678	14.4
161.09558	3.5
161.13219	15.2
163.11098	3.2
163.14786	13.1
164.97714	2.4
165.12720	5.8
169.10074	4.5
171.10211	2.2
171.11676	8.2
173.13229	100.0
175.11230	3.0
175.14807	9.0
175.65411	2.2
181.10075	2.5
183.11673	3.3
184.07365	4.4
185.13240	5.1
189.12727	2.3
191.14278	92.9
195.11603	3.3
199.11226	2.6
199.14827	3.4
209.13329	3.2
209.15309	45.2
217.12201	2.3
223.14851	2.6
227.16348	19.8
253.19646	2.2
259.20660	3.0
261.22086	5.3
271.20532	2.7
277.21698	3.8
283.20432	2.5
285.22165	2.8
291.23148	6.0
301.21637	3.2
303.23154	8.3
315.23196	3.4
319.22910	3.5
341.24698	6.7
351.23038	7.0
353.19354	3.2
369.24231	21.3
387.25220	22.2
405.26379	20.9
423.27176	4.7
667.31097	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	666.4561
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.7
55.05496	7.5
57.07048	1.1
57.43829	0.9
59.04981	1.3
66.87936	1.1
67.05486	8.7
69.03085	1.2
69.03421	10.4
69.07056	5.7
71.04974	1.5
71.08623	1.9
79.05470	8.4
81.03397	4.1
81.07036	9.7
82.06559	1.5
83.04951	2.6
83.08600	2.0
85.02890	2.8
85.10174	1.4
87.04450	1.2
89.06008	5.6
91.05463	13.3
93.03726	1.2
93.07028	8.4
95.04926	2.4
95.08591	8.1
97.02843	1.3
97.06551	1.5
98.21268	5.6
100.07569	1.5
105.07013	37.7
106.35344	1.2
107.04934	1.4
107.08571	16.1
109.02891	1.4
109.06488	1.3
109.10125	3.9
111.08007	1.0
116.06236	1.1
117.06995	5.3
119.08560	70.2
121.06465	1.6
121.10133	8.3
123.08038	3.2
123.11674	3.1
125.09598	2.9
126.43362	1.0
129.06970	1.8
131.08545	8.5
132.09349	2.1
133.08519	3.0
133.10103	10.1
135.08014	4.0
135.11662	4.1
143.08537	3.5
145.10097	10.6
146.08104	4.4
147.11659	100.0
149.09598	5.1
149.13252	2.9
151.11131	2.5
155.08539	1.2
157.10115	2.0
158.10811	2.4
159.11571	2.1
159.31747	1.0
161.09569	1.1
161.13248	1.3
163.14813	1.9
167.06975	1.8
171.11591	2.2
173.13228	20.6
175.14792	4.2
177.11133	1.4
180.98691	1.0
183.11684	1.7
185.13271	1.1
187.10983	1.3
191.14270	56.4
195.11644	1.4
199.10951	1.1
207.13867	1.1
209.15306	8.2
245.58078	1.2
273.14804	1.2
285.21716	1.0
363.64459	1.0
369.24130	2.0
387.25174	2.1
405.26639	1.9
405.32758	1.0
575.22473	3.7
613.40906	1.4
635.24377	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	666.4562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	6.0
55.01852	2.4
55.05505	16.6
57.03419	6.0
57.07063	4.3
59.04990	3.6
60.29358	2.0
65.03930	2.6
65.40695	2.3
67.05495	40.9
69.03419	16.5
69.07051	17.2
71.04960	9.9
71.08588	2.9
71.53182	2.3
71.53562	3.7
79.05479	32.2
81.03406	22.0
81.07041	54.8
83.04959	10.7
83.08587	9.7
85.02895	11.3
85.06484	6.2
87.04436	7.0
89.05967	3.2
91.05453	29.9
93.07024	46.3
95.04962	20.2
95.07995	2.7
95.08592	44.2
97.02872	8.4
97.06499	9.6
97.10158	5.5
99.04417	6.6
105.06296	3.5
105.07005	59.1
105.07685	4.3
107.04923	2.6
107.08572	46.9
109.02874	4.8
109.06503	23.2
109.10137	21.8
111.04446	2.2
111.08025	3.2
113.05988	2.9
115.03907	2.5
115.07539	6.5
117.07021	10.9
119.08555	39.2
121.06461	5.2
121.10123	42.5
123.08048	8.1
123.11681	10.3
125.09589	5.0
127.03851	7.3
129.06972	8.9
131.08537	41.5
133.08600	3.8
133.10109	81.7
135.07967	10.6
135.11679	22.3
137.09535	4.6
142.07722	2.5
143.08537	13.2
145.10068	26.5
146.08073	3.3
147.11659	21.8
149.09637	4.8
149.13191	13.5
151.11148	5.0
153.09126	12.4
157.10109	7.3
158.10863	17.0
159.11632	9.3
161.13219	17.1
163.11136	3.5
163.14798	14.2
165.12689	5.1
169.10100	3.2
171.11630	7.6
173.09785	2.7
173.13223	100.0
175.14815	8.7
183.11568	2.7
184.07343	4.1
185.13194	3.9
187.14844	2.6
189.12662	3.6
191.14264	83.5
197.13176	4.2
199.14676	2.4
209.13445	4.5
209.15326	41.4
213.12750	2.9
227.16319	13.5
259.20438	2.7
261.22086	6.6
273.22137	4.3
277.14255	2.8
277.21582	4.3
289.21469	4.3
291.23227	3.8
301.21536	2.8
303.23187	11.7
315.23254	5.5
327.23340	2.9
341.24612	5.9
351.23135	5.0
369.24106	20.0
387.25198	26.1
405.26257	20.8
423.27084	5.1
509.70267	2.5
666.42639	3.6
667.30243	5.0
686.30658	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	666.4565
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.7
55.01866	1.5
55.05500	12.3
57.03416	2.3
57.07055	3.8
59.04978	2.1
60.08136	4.5
67.05489	21.2
69.03406	9.4
69.07047	11.0
71.04971	3.2
71.07341	3.8
71.54861	1.4
71.55260	1.8
77.57831	1.2
79.05059	1.3
79.05480	17.8
79.61188	1.2
81.03405	10.1
81.07037	40.5
83.04958	7.8
83.08595	6.2
85.02872	5.6
85.06531	3.6
85.10151	1.6
86.09203	1.9
86.09688	27.0
87.04453	8.3
89.05979	1.7
91.05461	18.9
93.07021	36.2
95.04949	29.6
95.08586	23.1
97.02862	4.7
97.06503	6.6
98.98438	1.9
99.04423	5.4
105.07011	32.8
106.07299	1.7
107.04893	1.3
107.08566	32.9
109.02837	1.7
109.06485	22.9
109.10128	19.1
111.04412	2.4
111.08044	3.7
111.11658	1.9
113.09583	1.8
113.71603	1.4
117.06990	5.3
119.08556	21.1
121.06482	2.0
121.10116	45.6
122.10413	1.6
123.08041	6.4
123.11681	50.3
124.99983	18.8
125.09584	1.9
127.03892	4.0
129.06982	3.7
130.08611	2.9
131.08531	18.2
133.06430	2.1
133.08571	2.2
133.10104	55.0
135.08052	8.7
135.08945	1.3
135.11673	13.0
137.09540	2.3
139.11102	3.4
143.08524	4.2
145.10077	13.6
146.10486	2.8
147.07936	2.1
147.11652	29.5
148.40396	1.2
149.09596	18.6
149.13239	15.4
151.11151	19.1
153.09061	11.3
155.08488	2.5
156.09277	1.2
157.10081	2.9
158.10822	3.3
159.07977	2.1
159.11646	4.7
161.09554	2.1
161.13211	3.9
163.11189	2.8
163.14801	4.6
165.12756	10.7
167.10637	40.1
168.10944	1.4
169.10060	2.1
171.11632	2.6
173.13226	32.7
175.11040	1.4
175.14766	5.0
183.11623	2.3
184.07300	100.0
187.11185	1.7
187.14748	2.0
189.12704	12.1
190.13026	5.8
191.14294	45.8
192.14539	1.4
197.13197	1.5
203.14291	2.1
204.09584	1.4
205.15666	1.4
207.13742	2.0
209.15326	30.7
211.70093	1.3
215.14027	1.8
224.11623	1.4
227.16373	67.4
228.16716	2.6
259.20648	1.7
261.21954	1.8
277.21368	1.7
281.28766	1.4
303.23154	2.7
329.21222	1.6
351.22995	2.2
369.24127	6.1
387.25180	6.0
405.26447	7.7
443.44562	1.4
652.35785	1.5
655.25555	1.7
666.42761	27.8
667.42377	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	666.4562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.0
55.01861	2.5
55.05504	10.3
56.62067	0.9
57.03426	3.8
57.07066	2.9
59.04984	3.3
65.03947	1.6
66.95219	1.0
67.05490	27.8
69.03422	13.4
69.07058	12.4
71.04990	7.3
71.08620	1.2
79.05477	20.1
81.03402	15.1
81.07043	41.0
83.04974	6.6
83.08602	8.9
85.02888	23.8
85.06535	4.6
88.20332	1.0
89.06001	1.2
91.05461	20.6
93.07026	29.1
93.07616	1.5
94.07398	1.3
95.04948	19.7
95.08591	29.0
97.02854	6.3
97.06516	17.9
97.10170	2.6
98.21125	6.4
99.04442	5.4
99.08069	4.8
105.07005	35.6
106.07351	1.3
107.04953	2.5
107.08569	30.3
109.02861	4.1
109.06494	39.9
109.10136	19.8
111.04431	3.6
111.08057	2.9
113.06019	1.7
115.03933	1.2
115.05406	1.5
115.07531	5.5
117.06989	9.2
119.08560	34.8
120.08918	1.0
121.06482	3.2
121.09312	2.3
121.10123	30.8
123.08051	7.5
123.11679	27.1
125.05976	3.8
125.09647	4.5
127.03910	4.0
127.07537	2.6
127.50997	1.0
128.06210	1.8
129.05447	1.2
129.06947	6.2
131.08546	23.5
133.06483	7.6
133.10103	71.7
134.10390	1.5
135.08018	10.3
135.11632	10.6
137.09627	3.6
137.13261	1.9
139.11145	4.3
143.08534	7.1
143.10619	1.6
145.06456	2.2
145.10095	27.4
147.08046	3.9
147.11661	52.5
148.11926	1.8
149.09621	7.1
149.13240	9.9
151.07539	5.3
151.11169	3.0
153.09088	12.7
155.08580	3.0
156.09354	5.4
157.10046	3.6
158.10849	3.0
159.08055	1.4
159.11641	6.7
161.13229	6.2
163.11169	5.0
163.14789	6.5
165.12720	8.1
169.10075	1.9
171.10249	2.4
171.11679	8.9
172.12041	1.6
173.09625	1.5
173.13223	38.7
173.14676	2.3
174.10312	1.3
175.11037	1.1
175.14792	4.9
177.16354	1.5
181.10156	1.6
183.11703	2.3
185.13281	2.9
187.11264	2.4
187.14774	3.4
189.12704	100.0
190.13040	5.6
191.14273	58.4
191.16010	2.3
192.14595	1.5
199.14833	1.7
207.13751	25.6
208.14168	3.4
209.15326	90.0
210.15678	1.4
213.16373	1.2
215.14247	1.5
225.14777	9.5
226.15106	2.1
227.16376	71.2
228.16574	1.6
231.17357	1.6
259.20578	2.1
261.22083	3.5
273.22278	2.2
277.21674	2.6
285.22043	1.3
289.21432	1.3
291.23044	1.7
301.21609	1.9
303.23083	5.3
313.21820	1.3
319.22772	1.7
327.23148	2.9
341.24817	3.5
351.23175	4.2
362.72247	1.3
369.24097	11.1
387.25171	11.9
389.26944	1.4
405.26242	12.3
407.27505	2.0
423.27429	4.3
631.41345	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	666.4559
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02348	0.9
53.03926	3.2
55.01844	3.5
55.05497	14.8
57.03413	3.3
57.07068	5.4
59.04979	1.9
61.02909	1.1
65.03904	2.6
67.05492	30.5
69.03419	11.8
69.07054	15.9
71.04973	7.5
71.08618	1.0
73.02892	1.2
77.03876	1.0
79.05474	26.8
81.03400	17.0
81.07037	56.0
83.04964	14.5
83.08597	10.7
85.02885	7.8
85.06527	5.2
85.10159	1.1
87.04430	1.9
89.05998	1.2
91.05460	26.4
93.07021	46.7
95.04944	77.0
95.08585	30.3
97.02878	7.2
97.06506	13.9
97.10146	2.0
99.04433	11.5
99.08080	2.5
103.03902	1.3
103.05433	0.9
105.06292	1.9
105.07005	39.1
107.04906	2.5
107.08568	48.1
109.02838	5.7
109.03471	0.8
109.06494	51.6
109.10130	58.6
110.10486	0.8
111.04404	4.1
111.08072	5.5
113.09607	1.5
115.05417	1.9
115.07545	2.0
117.06995	10.2
119.07689	1.0
119.08554	29.3
121.06453	3.1
121.10117	42.1
123.04366	1.7
123.08035	11.0
123.11672	15.4
125.09575	5.2
127.03871	4.0
127.07551	0.8
128.06206	1.3
129.05457	2.0
129.06996	4.9
130.07736	2.2
131.08533	29.7
133.10101	100.0
135.08022	18.2
135.11658	30.8
135.12698	1.6
137.05911	0.9
137.09590	2.9
137.13217	1.8
139.07510	1.0
139.11153	3.7
141.06970	1.5
141.09061	1.0
143.08539	9.2
144.09320	1.6
145.06485	1.4
145.10080	22.0
147.07979	2.6
147.10480	1.4
147.11652	23.9
148.12222	0.9
149.09610	4.7
149.12018	1.5
149.13220	30.8
151.07472	0.9
151.11145	11.3
153.09070	27.7
155.08485	2.2
157.10069	4.3
158.10912	9.7
159.08018	2.0
159.11632	6.9
161.09619	2.7
161.13214	4.0
163.11174	4.4
163.14807	6.4
164.14404	0.8
165.09087	0.8
165.12717	5.9
167.14284	6.3
169.10120	2.0
171.07944	1.9
171.10201	1.6
171.11592	6.3
173.13220	74.4
175.11136	2.3
175.14793	8.2
177.12750	1.5
179.10669	1.5
181.15895	2.1
183.11659	1.9
184.07303	1.7
185.13188	3.4
187.14761	2.6
189.12712	3.2
191.14261	97.8
192.14528	0.9
193.15851	3.6
195.11649	1.6
197.09567	1.0
197.13255	1.6
199.11104	1.4
199.14740	1.5
201.16254	1.1
203.14214	1.6
205.12164	1.4
207.13779	1.4
209.15314	59.3
211.14795	1.0
217.15887	0.9
221.13312	1.0
227.14349	2.0
227.16339	10.3
231.13779	1.2
233.15286	1.1
241.19437	1.2
243.21046	2.0
259.20453	2.2
261.22098	7.4
273.22070	1.5
275.16394	1.0
277.14227	1.6
277.21594	2.9
285.22034	1.3
289.21585	1.7
291.23282	1.6
297.22031	1.2
299.16367	1.2
301.21487	2.3
303.23068	5.1
315.23099	2.4
317.17325	1.4
319.22403	1.7
327.23175	2.7
337.58347	0.9
341.24567	1.9
343.22769	0.9
345.24017	1.6
351.23050	3.3
353.19467	2.1
369.24277	9.5
387.25241	10.5
405.26337	6.7
423.27411	2.0
613.41266	1.1
635.24249	1.0
648.44000	1.9
666.29840	4.4
666.42352	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.4563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.1
55.01848	0.5
55.05502	2.2
57.03422	0.6
57.07073	0.6
59.04949	0.2
61.92509	0.2
65.03919	0.4
67.05493	6.8
69.03414	2.8
69.07055	2.0
69.24866	1.9
69.25294	0.6
71.04984	1.2
72.60725	0.2
73.02908	0.3
77.03898	0.3
79.05061	0.4
79.05479	4.7
81.02926	0.2
81.03404	4.3
81.07043	6.8
83.04987	1.1
83.08622	1.2
83.09036	0.2
85.02898	1.6
85.06522	1.3
87.04440	0.2
89.06012	0.3
91.05464	5.7
93.07030	7.1
95.04939	1.7
95.08591	11.1
97.02882	2.0
97.06521	3.0
97.10124	0.6
98.82160	0.2
99.04423	0.4
99.08061	0.8
103.05428	0.3
105.07012	8.2
107.04899	0.5
107.08575	5.7
108.06857	0.2
109.02867	0.9
109.06509	1.1
109.10144	2.6
111.04419	0.9
111.08049	0.5
115.05438	0.6
115.07552	0.4
116.06255	0.2
117.07002	2.4
118.07801	0.4
119.08562	4.8
121.06490	0.5
121.10123	5.0
123.04379	0.3
123.08069	0.8
123.11687	1.0
125.09615	0.3
127.03905	0.7
128.06171	0.3
129.05428	0.5
129.06995	1.4
130.07771	0.4
131.08549	6.5
133.10107	100.0
134.10390	1.2
135.08029	1.6
135.11679	3.2
137.09645	0.3
137.13261	0.5
141.06976	0.5
143.08527	2.2
144.09354	0.5
145.06476	0.3
145.10097	5.0
147.11674	2.8
149.09570	1.4
149.13228	2.1
151.07602	0.3
151.11197	1.1
153.09091	0.4
155.08548	0.6
157.10094	0.8
158.10887	3.3
159.08051	0.5
159.11650	1.8
161.09637	0.5
161.13258	1.0
163.11176	0.3
163.14789	2.3
169.10146	0.5
171.11694	1.2
173.13232	28.7
174.13646	0.3
175.11151	0.4
175.14798	0.9
181.10095	0.3
183.11676	0.7
183.31117	0.2
185.09721	0.3
185.13295	0.8
187.11118	0.2
187.14809	0.6
189.12819	0.3
191.14279	18.8
193.12216	0.4
195.11800	0.3
197.13261	0.5
199.11305	0.3
199.14832	0.2
207.13783	0.3
209.13354	0.3
209.15300	4.2
211.14816	0.3
213.16325	0.3
221.15491	0.2
227.16322	0.2
235.13251	0.3
243.21080	0.3
259.13297	0.4
259.20438	0.5
261.22095	1.2
277.14331	0.3
277.21655	0.7
285.22028	0.4
289.21625	0.3
291.23178	0.7
301.21579	0.6
303.23206	1.0
315.23273	0.6
319.22681	0.4
327.23178	0.5
341.24612	0.6
351.23169	0.7
359.25760	0.3
369.24182	2.2
387.25204	2.6
405.26254	2.5
423.27478	0.8
476.52734	0.2
555.36926	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.8
55.05499	0.6
58.72502	0.4
65.03931	0.6
67.05489	1.8
69.03416	1.4
69.07056	4.8
69.29968	1.2
69.30395	4.2
70.06580	6.7
72.08138	1.3
79.05482	2.0
79.19659	0.5
80.04974	0.8
81.03387	0.5
81.07043	1.8
83.04951	0.6
84.04485	1.0
84.08135	3.2
85.02895	1.4
86.06004	0.9
86.09688	2.3
91.05461	2.2
93.07030	1.0
94.06550	6.8
95.04967	2.1
97.02869	0.7
97.06547	0.5
98.02432	0.5
98.06053	0.8
98.20827	0.9
99.04450	0.4
99.08118	0.4
103.03892	0.5
105.06978	1.2
106.06519	0.6
107.04931	3.9
107.08558	1.0
108.04474	0.7
108.08106	2.3
109.06527	0.5
109.10150	0.5
110.06046	1.1
112.07604	1.2
113.03466	1.8
116.04977	1.5
117.07008	1.1
118.06540	1.1
119.04948	0.8
119.08541	1.1
120.08076	2.4
121.05264	0.6
121.06452	0.7
121.10127	0.7
122.06007	19.1
123.04410	1.4
124.05190	0.9
124.07613	0.6
125.05979	0.7
127.03902	0.7
129.05579	0.5
129.10240	0.8
130.08621	2.0
134.06030	1.2
135.08110	0.5
136.07576	1.9
137.06007	1.2
140.07040	26.0
142.08586	0.7
144.04422	4.1
145.06448	1.1
146.05983	14.0
146.08102	1.6
147.04430	0.9
147.06732	0.7
148.07545	3.1
151.22563	0.5
152.07053	1.9
160.04047	0.5
160.07532	1.3
161.05992	0.7
162.05510	2.3
162.07594	1.7
162.08994	0.5
163.06276	0.9
164.07079	1.5
166.08514	0.5
167.05608	0.9
167.07021	17.6
171.06604	0.8
172.03911	23.8
173.04614	1.1
173.05995	1.5
174.05479	10.8
176.07037	9.2
177.05434	1.1
177.07733	0.6
178.08665	1.0
181.04916	12.0
185.10759	0.7
187.12320	0.7
188.07082	1.0
190.04950	4.7
191.05684	0.7
192.06561	1.9
195.06535	1.4
195.09247	0.8
197.07063	0.9
197.10712	1.4
198.07634	0.7
198.09320	0.8
199.08603	2.1
200.07114	0.6
200.09235	0.7
201.10179	1.7
204.06522	45.5
205.07011	1.5
206.08076	15.9
207.06601	0.9
207.08418	0.7
208.09607	0.8
210.07811	0.5
211.08676	1.5
211.12288	0.9
212.09364	1.1
213.10263	2.6
215.11684	2.4
216.10245	1.1
223.08777	1.0
224.09419	1.6
225.10223	2.8
226.11026	1.3
227.08061	1.1
227.11847	1.5
228.10399	0.6
229.09727	0.6
237.10233	2.2
238.11015	1.0
239.08118	1.0
239.11671	2.3
241.09697	2.3
243.11240	11.8
243.13591	0.8
249.10310	1.4
250.10789	0.7
251.11815	2.1
253.09717	1.5
255.11334	1.5
256.11969	0.7
257.09177	1.2
257.12811	0.8
259.10699	0.7
261.12268	2.4
263.08365	0.8
263.11832	2.9
264.08987	1.3
265.09668	3.0
265.13153	0.5
266.10516	1.5
267.11307	2.3
269.09183	2.4
269.12704	0.6
271.10803	2.2
272.11533	1.0
273.12405	1.2
275.13864	1.2
277.09708	1.9
277.12637	0.6
278.10333	1.3
279.11264	2.0
280.12061	1.0
281.12793	1.0
283.10742	6.4
284.11493	1.5
285.12256	10.0
286.12909	0.6
287.10269	4.6
287.13931	3.0
288.11319	0.9
291.11124	1.4
295.10834	1.8
296.11591	0.8
297.12350	1.7
298.13074	0.7
299.10254	3.0
299.13483	0.9
300.11975	1.6
301.11572	3.0
302.12784	1.5
303.13327	31.2
304.14282	2.4
309.12396	1.5
310.13074	0.6
311.10126	1.4
311.13828	0.8
313.11731	13.6
314.12714	1.2
315.13675	1.0
316.10825	1.3
316.14417	1.0
317.11609	0.9
317.15329	1.8
318.15802	3.1
319.16766	2.0
321.14600	1.0
323.10175	2.2
323.13974	1.6
324.11072	0.6
325.11884	1.4
327.13528	0.7
328.14523	0.8
329.11734	1.6
330.12347	2.8
330.15991	0.6
331.12869	8.1
331.16571	0.8
332.13785	2.5
332.17633	1.5
333.47723	0.7
336.11166	1.2
337.11768	0.9
341.12057	1.1
342.12418	1.2
342.16147	0.9
343.13437	0.9
344.13934	2.6
345.14404	30.1
346.15332	5.6
347.15482	3.3
347.19452	1.8
347.68982	0.6
355.13370	1.1
356.13776	1.5
357.11047	1.1
357.15009	0.9
358.11743	2.1
358.15543	3.7
359.16501	0.7
360.13315	0.9
360.17099	4.5
361.14755	0.8
363.15552	4.4
364.16132	0.9
367.12918	0.7
368.13562	2.5
369.14490	2.3
370.11700	1.5
370.15552	2.1
371.12131	2.9
372.13242	7.6
372.16910	0.9
373.14072	4.8
373.18115	0.7
374.14795	5.9
374.18808	0.4
375.15512	0.6
376.16574	0.9
378.18201	0.9
381.13324	0.8
385.14319	2.1
386.14966	8.7
387.15768	7.2
388.16675	5.9
390.14099	0.7
390.18381	0.9
392.15845	0.9
396.13382	0.9
399.14218	3.8
400.16681	1.1
401.13147	0.8
402.14352	2.3
402.18750	1.4
403.15204	0.9
403.73038	1.4
404.15924	3.6
405.16870	2.6
406.17487	5.7
407.17999	1.1
408.19315	0.6
410.14334	0.7
412.16904	0.6
414.14313	7.9
415.15231	17.1
415.34515	0.6
416.15948	20.2
417.15527	11.3
418.17209	2.2
419.18552	0.7
428.16135	2.4
429.16788	1.2
430.17459	4.8
431.18582	1.2
432.15164	3.9
433.16296	4.8
434.16959	6.3
438.14471	0.7
446.17056	6.5
447.17535	2.9
447.68246	0.6
456.15488	4.1
457.16174	1.0
458.18671	0.6
464.18011	0.9
474.16534	24.4
475.17212	11.9
476.18048	6.1
477.18671	0.7
478.19955	0.6
484.04181	0.6
503.23340	0.6
506.19104	6.6
507.19711	3.3
508.20694	4.1
510.22528	1.1
524.20282	0.6
525.20490	0.6
571.25842	1.9
573.23389	6.7
596.32208	0.7
597.23413	5.9
598.24042	0.6
605.25946	0.9
615.24371	100.0
616.24701	8.8
629.26050	1.2
633.25140	1.9
647.27014	13.3
648.27124	1.1
665.28894	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	665.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.4
53.99421	0.2
55.01860	0.3
55.05510	0.3
57.70449	0.2
61.42923	0.2
65.03922	0.4
66.04681	0.3
67.05165	0.3
67.05475	1.6
68.05013	0.5
69.03400	0.7
69.06713	0.3
69.07058	4.8
70.06578	0.6
72.08116	0.3
77.03917	0.3
79.05496	0.6
80.05004	0.6
81.07047	0.6
84.07674	0.4
84.08129	5.1
85.02896	0.3
86.09682	0.5
89.03883	0.4
90.71226	0.3
91.05450	0.5
93.05753	0.3
93.07002	0.5
94.06549	6.4
95.04970	1.5
97.06498	0.5
105.06985	0.6
106.06525	0.6
107.04914	0.4
108.04449	0.5
108.08114	2.1
109.02843	0.3
109.10158	0.3
110.06015	0.9
112.07590	1.7
116.04961	0.9
118.06503	0.4
120.04411	0.5
120.08071	0.4
121.05168	0.4
122.06005	22.5
123.04389	0.8
123.06270	0.3
124.07559	0.8
130.08620	1.1
132.04391	0.3
133.02873	0.3
133.06453	0.2
134.05968	1.4
134.87914	0.3
135.04396	0.4
136.07590	0.7
137.05962	0.6
138.05432	0.7
140.07039	34.9
141.07619	0.5
144.04391	2.0
144.71625	0.2
145.10129	0.3
146.04803	0.6
146.05980	11.7
147.04323	0.4
147.06728	1.1
148.07567	2.8
150.05516	0.4
152.07057	1.7
155.07181	0.3
158.09610	0.4
159.11725	0.3
160.03912	0.3
160.07547	1.1
162.05490	1.8
162.09114	0.2
163.06207	0.6
164.07034	0.6
166.08559	0.4
167.07002	1.1
170.09599	0.4
172.03903	17.2
173.04695	1.8
173.07051	0.3
173.10670	0.3
174.05478	18.5
175.06142	0.4
175.08633	0.3
176.07036	9.9
177.05501	0.3
177.07693	0.5
178.08630	0.6
181.17700	0.3
184.09915	0.5
185.10809	0.3
186.09097	0.5
187.12271	0.9
188.07030	0.9
189.10254	0.4
190.04939	4.3
191.05696	2.2
192.06558	1.8
194.09639	0.4
196.07506	0.3
197.07045	0.5
197.10722	1.1
198.07718	0.7
198.09174	1.0
198.11568	0.5
199.08569	1.3
200.09404	0.9
201.10182	1.0
204.06522	30.8
205.06949	0.9
206.08092	9.8
207.06464	0.3
208.09705	0.5
210.09293	0.3
211.08591	1.8
211.12279	0.5
212.09213	1.3
213.10190	3.0
214.08810	0.3
214.10873	0.6
215.08214	0.4
215.11761	3.1
216.10225	0.5
223.08618	0.6
223.12254	0.3
224.09392	0.9
225.10135	3.3
226.08617	0.8
226.10970	0.9
227.08107	0.8
227.11766	0.9
228.12343	0.3
229.09746	0.5
229.13293	1.4
231.11366	0.4
235.08612	0.5
237.10194	1.6
238.10957	0.6
239.08058	0.7
239.11736	2.3
240.10315	0.5
240.12482	0.4
241.09674	2.3
243.11237	14.7
244.11688	0.3
249.10208	2.0
250.11009	0.6
251.08209	0.7
251.11702	1.3
252.08946	0.4
252.12453	0.5
253.09692	0.9
253.13272	0.4
254.10503	0.5
255.11269	1.8
256.11868	1.4
257.09204	0.8
257.12857	1.4
259.10718	1.3
260.11108	0.7
261.12433	1.4
263.08203	0.9
263.11707	1.0
264.08911	1.1
265.09702	3.2
265.13190	0.5
266.10458	1.0
267.11206	2.1
268.09668	0.7
269.09183	2.2
269.12100	0.4
270.09982	1.1
271.05957	0.5
271.10721	2.0
272.11520	0.5
273.12234	0.8
275.13965	0.8
277.09683	1.2
278.10443	0.7
279.11005	1.7
280.11896	0.6
281.09149	0.8
281.12772	0.5
283.10690	4.9
284.11508	1.6
284.56436	0.3
285.12277	16.4
286.13235	0.3
287.10254	4.8
287.13867	2.5
288.11273	0.6
291.11218	0.5
293.12799	0.3
295.10724	1.4
296.11713	0.6
297.12341	1.1
298.13113	0.9
299.10245	3.2
299.13916	0.7
300.11523	0.8
300.15005	0.6
301.11584	2.4
302.12738	1.5
303.13336	36.1
304.14151	2.2
309.12222	0.6
311.10153	0.7
311.13806	0.7
313.11758	30.6
314.12292	1.0
314.16312	0.4
315.10251	0.3
315.13834	0.7
316.10715	1.0
316.14386	1.9
317.11832	0.3
317.15237	1.0
318.12518	0.3
318.15881	3.1
319.12860	0.7
319.16711	2.0
321.14490	0.6
323.10117	1.9
323.13547	0.4
324.10995	0.7
325.11798	0.8
326.12888	0.3
327.13452	0.8
328.11072	0.4
328.14548	1.0
329.11447	1.2
329.15405	0.4
330.12347	2.8
330.16019	0.9
331.12894	10.4
331.16510	0.7
332.13776	1.8
332.17578	1.0
333.15060	0.3
337.08121	0.4
337.11755	0.4
338.12497	0.3
339.13354	0.4
341.11960	0.5
342.12534	0.7
342.16177	0.5
343.13306	1.4
344.13928	2.9
345.14401	24.9
346.15372	5.0
347.16174	3.8
348.17047	0.9
353.11249	0.5
354.12241	0.8
354.16071	0.4
355.13232	0.8
356.10031	0.4
356.14014	1.3
357.11087	0.7
357.14920	1.0
358.11511	1.8
358.15646	2.6
359.12579	0.8
359.16168	1.0
360.13431	0.4
360.17105	4.0
361.13803	0.4
363.15393	2.2
364.16190	0.5
368.13849	1.1
369.14871	0.5
370.11252	1.5
370.15448	1.2
371.12238	2.1
372.13245	5.8
372.17130	0.6
373.14005	3.8
374.14764	4.2
374.18610	0.6
375.15982	0.4
376.16452	1.1
378.17993	1.3
379.18832	0.5
381.10858	0.4
382.15469	0.3
383.12424	0.4
384.13391	1.0
384.17477	0.6
385.14163	2.0
386.14890	9.1
387.15778	6.9
388.16507	5.4
390.14127	0.6
390.18369	0.4
391.19022	0.4
396.13251	1.0
398.14835	0.9
399.15402	0.5
399.32089	0.8
400.12674	1.0
400.17325	1.5
401.12857	1.3
401.17868	0.7
402.13803	2.2
402.18320	1.0
403.14993	0.7
404.15906	3.7
405.16824	2.8
406.17554	5.8
407.18253	0.5
408.19116	0.6
410.15054	0.8
412.16492	0.6
413.14175	0.7
414.14328	7.5
414.19501	0.4
415.15186	14.6
416.15964	20.9
417.16257	1.6
417.33344	1.5
418.17941	1.8
419.18280	0.6
428.15961	2.2
429.16876	1.5
430.17606	4.4
431.18896	1.4
432.15149	2.1
433.16211	5.3
434.17010	5.1
435.17236	0.4
438.14502	0.8
446.17014	6.6
447.17896	2.4
456.15393	4.1
457.16260	1.4
458.16992	0.9
460.15079	1.0
462.16385	0.4
464.18311	0.7
474.16550	20.1
475.17227	9.1
476.18103	5.8
489.18677	0.9
492.17569	0.4
501.17868	0.3
506.19193	3.6
507.20020	2.1
508.20682	1.3
524.20209	1.4
555.22333	0.5
571.25427	1.5
573.23505	2.7
597.23474	4.7
598.23077	0.3
615.24359	100.0
616.14990	0.4
616.24652	7.0
629.25745	0.5
633.25317	0.9
647.26965	7.1
648.27325	0.5
665.27484	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	665.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
58.49701	0.4
61.27363	0.5
67.05495	1.2
69.03391	0.4
69.07056	4.1
69.40123	2.5
69.40545	1.6
79.05486	0.6
80.04999	0.5
90.49055	0.5
93.05795	0.6
94.06550	7.0
95.04954	1.3
97.06507	0.6
98.21449	1.1
108.08104	1.7
109.02878	0.5
110.06019	0.8
112.07590	1.5
116.04959	1.2
118.06511	0.9
118.30629	0.5
120.04527	0.5
120.08083	0.5
122.06001	23.3
123.04395	0.8
124.07539	0.6
132.12344	0.4
134.05994	1.9
136.07608	0.7
138.05496	0.5
138.98950	0.5
140.07034	35.9
141.77547	0.4
144.04433	2.1
146.05977	13.8
147.06744	1.1
148.07587	2.8
152.07039	1.1
154.08624	0.8
160.07590	1.4
162.05489	1.8
164.06975	0.6
170.09814	0.6
172.03900	18.2
173.04666	2.2
174.05472	17.9
176.07021	9.9
177.07600	0.8
178.08636	0.6
181.04959	0.7
187.12314	0.7
188.07011	0.7
190.04976	3.6
191.05714	2.5
192.06516	2.2
197.07097	0.6
197.10706	0.7
198.07742	0.8
198.09390	0.6
199.08684	1.4
200.09404	0.5
201.10242	1.1
204.06523	36.8
205.06921	1.1
206.08086	14.8
211.08676	1.9
211.12215	0.6
212.09222	0.7
213.10234	3.2
215.11810	2.5
216.10226	0.5
224.09431	1.4
225.10104	3.2
226.08643	0.8
226.10957	1.1
227.11813	1.0
228.12433	0.6
229.09840	0.6
237.10165	1.6
238.10991	1.2
239.11806	2.3
240.10271	0.5
240.12688	0.6
241.09586	2.8
243.11252	14.4
244.11775	0.5
248.09354	1.0
249.10181	4.5
250.10959	1.6
251.11813	2.2
252.08847	0.6
253.09662	0.8
253.13322	0.6
255.11333	1.9
256.12018	1.4
257.09143	0.7
257.12799	1.2
259.10748	0.7
261.10031	0.5
261.12421	1.8
262.11044	1.2
263.08170	0.6
263.08734	0.5
263.11731	13.6
264.09125	0.8
264.12405	1.7
265.09726	4.2
265.13388	1.8
266.10287	0.8
267.11273	1.8
269.09265	2.7
269.12830	0.8
271.10736	1.7
273.12390	1.0
277.09579	4.7
277.12167	0.6
278.10312	0.8
279.11148	5.8
280.12125	1.0
281.09283	0.6
281.12820	1.0
283.10687	4.9
284.11502	1.6
285.09076	0.9
285.12253	18.8
286.12842	0.9
287.10251	3.9
287.13916	2.9
288.11383	0.8
290.10150	1.1
290.13058	1.0
291.11234	5.6
292.11932	1.6
293.12903	0.5
295.10745	3.7
296.11853	0.9
297.12393	1.2
298.13071	0.7
299.10281	3.4
299.13675	1.0
300.11465	0.9
301.11597	2.5
302.12949	1.6
303.13324	37.8
304.14172	2.4
305.09030	0.7
305.15247	0.7
307.10800	1.3
309.12219	8.0
310.13077	1.1
311.10452	1.0
311.13876	1.4
313.11752	38.6
314.12320	1.8
314.16284	0.6
315.13617	1.1
316.10770	2.1
316.14484	1.6
317.11703	0.6
317.15332	1.5
318.09866	0.6
318.15952	3.3
319.16742	2.1
323.10156	1.7
323.13766	9.8
324.10907	1.1
324.14429	1.0
325.11765	1.1
326.13199	0.6
327.13577	1.3
328.14514	1.0
329.11499	1.0
329.15448	1.0
330.12317	3.2
330.16135	1.2
331.12836	11.1
331.16614	0.5
332.13715	1.9
332.17645	1.2
333.14655	0.6
335.10147	0.7
336.10941	7.1
337.11551	3.6
338.12634	1.0
340.14365	0.5
342.12473	0.7
342.16202	0.9
343.13474	1.5
344.13855	2.4
344.17780	0.7
345.14392	25.5
346.15350	5.6
347.16238	3.2
348.16968	0.6
354.12219	0.6
355.13077	2.1
356.13809	1.2
357.15262	1.2
358.11755	1.4
358.15570	3.3
359.16492	1.2
360.13220	0.7
360.17068	4.4
362.18893	0.9
363.15543	2.0
367.12891	4.7
368.13623	7.9
369.14453	9.7
370.11636	1.2
370.15582	3.8
371.12717	2.1
372.13290	6.2
372.17099	0.8
373.14084	3.8
374.14798	5.7
374.18637	0.8
376.16592	1.0
378.18088	1.1
381.10748	1.2
382.15408	0.7
384.17307	0.8
385.14334	1.6
386.14935	11.6
386.19617	0.8
387.15729	7.5
388.16602	5.5
390.14069	0.9
390.18481	1.0
396.13297	0.8
398.14935	1.4
400.12204	0.9
400.16595	1.4
401.13287	1.3
401.17859	1.1
402.14005	1.5
402.18088	1.9
403.15448	0.8
404.15860	4.1
405.16669	2.5
406.17505	5.8
407.17914	0.7
412.16684	0.8
414.14365	8.2
415.15179	17.0
416.15939	21.8
417.16034	1.9
418.17712	1.3
419.18488	0.7
428.15762	2.5
429.16623	2.0
430.17599	4.6
431.18188	1.5
432.15369	2.4
433.16232	4.7
434.16959	5.8
438.14456	0.9
446.16968	6.9
447.17813	3.1
456.15457	3.9
457.16031	1.6
458.16684	1.1
460.14819	0.8
474.16522	26.6
475.17209	14.3
476.17990	8.0
478.19571	3.5
489.19254	1.2
490.19568	0.6
492.17636	1.0
493.18488	0.9
506.19165	5.0
507.19821	2.3
508.20685	14.7
509.21249	1.0
510.22241	9.8
511.23087	0.5
526.21735	1.1
555.22272	0.6
571.25391	1.6
573.23529	3.3
597.23248	7.7
615.24341	100.0
616.24786	8.8
629.26349	1.2
633.25360	1.7
647.27045	6.3
648.27228	0.7
665.27979	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.28
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02343	0.5
53.03921	0.5
56.67193	0.5
60.13735	0.6
67.05482	2.1
68.04990	0.7
69.03418	1.4
69.06770	0.4
69.07056	4.8
69.47082	1.4
69.47484	4.0
70.06573	4.2
72.08135	1.1
79.05475	2.2
80.04984	0.6
81.03406	0.9
81.07025	1.0
82.06548	0.7
84.08141	2.9
85.02850	0.9
86.09689	1.3
89.06002	0.9
91.05464	2.0
93.07030	0.6
94.06551	5.4
95.04948	1.9
97.02901	0.8
97.06502	1.1
99.04395	0.5
100.07586	0.6
103.05434	0.6
105.07008	1.3
106.06551	0.8
107.04914	2.0
108.08109	1.9
109.02886	0.6
110.05998	1.1
112.07576	1.6
115.05415	0.7
117.05726	0.6
117.06983	1.5
120.04462	0.6
120.08057	1.6
121.05215	0.8
121.06483	1.2
122.05996	21.0
123.04401	2.3
124.05146	0.6
124.07594	0.9
125.05986	0.6
127.03898	0.9
127.70827	0.5
129.10210	1.0
131.08519	0.5
134.05954	1.1
136.07529	2.0
137.05945	1.1
140.07030	34.6
144.04451	2.5
145.06467	2.0
146.05978	11.6
146.08012	0.9
147.04369	0.6
147.06621	0.9
148.07513	3.7
152.06992	1.8
154.08540	0.6
160.07570	1.2
161.05931	0.7
162.05481	1.9
163.06267	0.9
164.07059	0.8
166.08574	0.7
167.07001	24.1
168.07358	0.8
170.09720	0.6
171.06537	0.7
172.03905	18.5
172.07445	0.5
173.04610	1.6
173.05959	4.7
174.03947	0.8
174.05461	17.0
175.06122	0.7
176.07039	9.3
177.05431	1.5
177.07887	0.7
181.04929	8.8
185.06993	0.6
187.12254	0.7
188.07060	1.0
190.04939	3.7
191.05690	2.3
192.06520	2.0
195.06529	0.8
197.10780	0.7
198.09268	1.0
199.08661	1.0
200.09424	0.9
201.10289	0.8
204.06514	34.9
205.06807	1.0
205.08612	1.0
206.08066	10.6
206.09795	0.8
209.07915	0.7
210.11479	0.7
211.08627	1.7
211.12276	0.8
212.09297	1.3
213.10205	1.9
215.11752	2.8
216.10199	1.1
223.08490	0.6
224.09448	0.6
225.10205	2.8
226.08623	0.8
227.11819	1.8
228.12447	0.8
229.09642	0.7
233.08118	1.9
237.10265	1.0
239.11792	2.2
241.09732	2.5
243.11235	14.5
243.13623	1.1
249.10316	1.6
250.10986	0.6
251.11708	1.4
253.09610	1.1
255.11299	2.4
256.11917	1.0
257.09128	1.4
257.12869	2.0
259.10757	1.0
261.12357	1.2
263.11758	1.6
264.08951	1.1
265.09692	2.4
266.10373	1.5
267.11243	2.3
268.09558	0.9
269.09207	2.1
271.10718	1.9
273.12268	1.6
277.09644	1.1
278.10336	0.8
279.11084	2.5
283.10693	5.1
284.11554	2.2
285.12274	15.0
286.12567	0.8
287.10272	4.1
287.13919	2.5
291.11319	0.6
295.10721	1.2
296.11530	0.7
297.12338	1.7
298.13031	0.8
299.10245	3.6
299.13681	0.8
300.11661	0.7
301.11655	2.7
302.12521	1.7
303.13330	35.6
304.14462	2.7
309.12354	1.5
310.13187	0.7
311.10101	1.2
313.11740	28.3
314.12448	1.1
314.16199	0.7
315.13760	0.9
316.10791	1.4
316.14456	1.5
317.15219	0.8
318.12708	0.7
318.16025	2.0
319.13126	0.9
319.16736	1.7
321.14502	0.9
323.10242	1.7
323.13791	0.8
325.11639	1.7
329.11539	1.1
329.15381	0.9
330.12335	2.6
330.16028	1.1
331.12869	12.4
331.16556	0.9
332.13879	1.4
332.17444	1.1
336.10992	1.1
337.11850	0.7
341.11768	0.6
343.13974	1.3
344.14056	1.4
345.14401	25.8
346.15439	6.0
347.16260	3.3
348.17044	0.8
354.12531	0.9
355.12955	0.9
356.14026	1.1
357.14832	0.9
358.11795	1.7
358.15497	2.3
359.12521	0.8
359.16498	1.0
360.17062	3.9
362.14859	0.7
363.15619	2.5
368.13733	1.7
369.14093	1.2
370.11789	1.6
371.12445	2.8
372.13196	4.9
372.16846	0.6
373.13925	4.9
374.14795	4.4
374.18604	0.7
376.16528	1.4
378.17953	1.6
385.14120	1.6
386.14832	8.2
387.15649	8.4
388.16544	6.4
391.14536	0.6
396.13342	1.1
398.14957	0.7
399.14810	1.8
400.12357	1.1
401.13443	1.3
402.14374	2.3
402.18668	1.4
404.15839	3.6
405.16742	2.3
406.17618	5.5
407.18256	0.8
408.19504	0.8
412.16537	0.7
414.14383	7.5
415.15198	15.0
416.15952	20.1
417.15405	20.4
418.16678	1.7
419.18149	0.8
428.15918	2.7
429.16626	1.2
430.17523	4.5
431.18329	1.1
432.15451	2.7
433.16229	4.1
434.16992	4.3
438.14352	0.9
446.16965	6.5
447.17761	3.3
456.15466	2.6
457.16199	1.3
458.17218	0.9
460.14941	0.8
462.16541	0.9
474.16534	19.2
475.17209	9.4
476.17993	5.8
506.18991	4.5
507.19986	1.5
508.20728	1.5
510.22153	1.6
526.22253	0.8
571.25305	1.1
573.23065	3.4
597.23474	5.5
615.24329	100.0
616.24609	6.8
633.24445	1.4
647.26874	6.6
665.27966	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	665.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26418	0.8
53.03929	1.4
55.01834	0.9
55.05497	2.1
56.16216	0.7
58.72974	0.7
59.04977	1.7
60.04490	0.7
65.03925	1.0
66.04729	0.6
67.05466	3.0
69.03416	0.8
69.06721	0.9
69.07059	11.5
69.11440	0.7
70.06554	1.5
71.07883	1.0
71.08205	1.2
79.05473	1.6
79.28104	0.7
81.03384	1.4
81.07034	1.9
83.04991	1.0
84.08122	2.3
85.02874	1.7
86.09666	1.4
87.04427	2.4
89.06006	2.1
91.05431	1.7
93.07014	2.4
94.06557	1.5
95.04954	1.5
95.08584	2.0
96.08134	1.2
97.02853	1.1
97.06468	1.3
97.41989	0.7
98.20840	0.9
100.11238	1.5
101.06001	2.4
103.03906	0.9
105.07020	1.6
107.04936	1.3
107.08543	2.1
108.04420	1.5
108.08078	1.1
109.02853	0.8
109.06468	1.1
109.10176	0.8
110.06046	1.8
111.04398	1.2
111.08036	0.8
112.07578	0.7
115.55764	0.9
117.05434	1.0
117.06995	0.9
119.08566	0.9
120.04482	0.8
120.08078	1.0
121.10123	1.2
122.06002	7.2
124.07564	17.0
130.08620	1.2
131.08453	0.9
132.07986	0.9
133.10133	0.9
135.04370	0.9
136.07553	1.9
137.05936	1.4
138.05473	1.7
140.07036	17.1
145.06450	1.4
145.10028	0.9
146.05984	8.0
147.04361	1.6
148.07512	1.8
150.05467	2.2
152.07033	2.3
154.04947	10.8
158.05965	2.4
158.09605	1.5
160.07545	3.7
161.09488	0.9
162.05499	1.9
162.09100	2.8
164.07123	1.2
166.08656	1.4
167.06967	6.7
170.09729	0.9
172.03886	8.2
172.07526	1.3
173.04663	1.4
173.06000	0.9
174.05495	4.1
174.09047	1.1
176.07014	1.9
178.08649	0.8
180.10190	0.8
181.04950	2.6
182.15329	1.0
184.07425	0.8
186.09059	4.0
187.08685	1.3
188.03525	0.8
188.09413	1.2
190.04848	0.7
192.06490	1.0
192.10129	2.8
196.07564	0.9
199.08545	0.8
200.07040	1.8
200.10672	1.6
201.10312	1.0
202.08771	1.0
202.10953	2.8
203.11786	6.4
204.06499	13.5
206.08116	5.4
208.09647	4.9
210.14856	2.2
213.10138	4.0
214.08589	10.2
215.08119	4.8
215.11827	0.7
217.09639	1.6
218.08138	6.6
220.09589	1.1
225.10248	1.8
226.08665	1.3
227.11786	1.9
228.10141	3.6
229.09682	2.8
230.08162	1.1
230.10410	1.4
231.11168	4.5
237.10161	1.5
239.11662	2.2
241.07477	0.8
241.09558	3.5
242.08025	2.7
243.11266	5.8
245.09212	1.6
245.12901	1.2
246.07600	1.9
247.10703	1.3
248.09425	1.2
249.10210	4.0
250.10693	8.6
251.11464	1.6
252.12370	1.7
253.09700	1.6
255.11230	6.8
256.09705	3.0
257.09177	1.3
257.12802	2.0
258.07535	1.2
259.10721	77.5
260.11121	2.3
261.12357	1.6
262.98038	0.8
263.07938	0.9
263.09079	0.8
263.11719	5.4
264.08612	1.3
265.09561	2.8
265.13000	1.1
267.11124	1.6
269.09244	1.4
269.12799	2.0
271.10669	1.6
272.11597	1.3
273.12265	6.4
274.10422	0.9
275.10666	0.7
277.09689	2.7
279.08328	0.9
279.11209	5.2
281.08990	1.4
281.12872	0.9
283.10648	6.0
285.09012	1.7
285.12225	8.2
287.10214	3.6
287.13651	1.0
289.11896	1.5
291.11194	2.3
293.09030	2.6
295.10782	2.4
296.11429	3.0
297.12311	5.3
300.11771	1.0
301.11771	65.7
302.12335	2.2
303.09857	1.3
303.13275	8.4
307.10962	1.0
309.12106	4.2
311.10245	1.8
311.13770	1.0
313.11743	7.5
315.13477	1.8
317.11407	1.1
318.12253	0.9
319.12820	100.0
320.13324	5.0
323.10202	2.1
323.13837	2.6
325.11615	2.6
327.13107	1.2
329.14697	3.5
331.12796	2.3
335.12500	1.6
336.10883	2.1
337.13989	32.7
341.14856	2.3
345.14301	4.0
351.09872	1.0
353.11264	7.2
354.12012	2.0
355.12582	4.7
356.13058	0.8
358.15225	1.1
368.13596	2.1
369.14319	4.5
370.15088	1.2
371.12015	1.6
371.16171	1.2
372.13071	1.2
373.17456	2.2
385.13898	5.4
386.14615	1.6
388.16681	1.4
399.14661	1.4
403.15128	3.1
406.17709	1.4
414.14288	1.0
415.15182	1.5
416.15833	3.6
417.15439	2.4
426.16467	1.3
430.17365	1.3
434.16879	1.4
446.17130	1.4
448.18484	1.0
456.15274	1.5
457.16074	1.5
474.16211	4.3
475.16638	2.9
476.17926	12.8
478.19427	2.6
492.17523	2.6
494.19186	4.6
505.17969	1.3
506.18967	6.3
507.19394	4.4
508.20642	31.2
509.20844	3.1
510.22507	12.8
524.19904	4.8
525.20068	1.6
526.21655	1.9
542.21082	3.5
573.23102	2.0
597.22968	3.4
615.24316	40.0
616.24713	5.4
629.25031	2.4
633.25568	4.4
647.26752	10.7
648.26520	2.1
665.28326	2.7
665.49188	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	664.4617
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74184	0.7
55.05502	4.3
57.03428	10.4
57.07067	20.7
59.04995	4.4
61.02916	4.5
65.03922	1.1
67.05496	56.6
69.03422	1.3
69.07050	4.2
71.04984	1.5
71.08624	20.0
71.53158	1.4
73.02889	1.7
79.05482	1.8
81.07047	14.8
83.08609	9.5
84.08138	2.2
84.72218	0.8
85.02914	4.0
85.06522	1.5
85.10172	11.9
87.04470	1.2
89.06018	2.0
91.03958	1.8
91.05434	4.1
93.07024	3.6
95.04958	0.9
95.08588	12.8
97.02861	2.2
97.10150	2.4
99.08105	1.0
99.11737	1.0
105.07002	1.1
107.08559	1.7
109.10139	65.8
109.80973	0.9
111.08085	2.5
117.09133	1.0
119.08550	5.1
121.10123	1.9
123.08063	1.2
123.11714	2.4
125.09608	1.2
130.08620	5.9
131.01094	0.9
131.08519	1.5
135.11717	0.8
137.09615	2.4
150.81229	0.7
151.11162	1.7
155.10664	3.1
173.11720	17.2
189.12746	2.4
225.14899	1.1
229.14316	100.0
230.14586	1.5
257.24625	1.6
292.59137	0.9
313.27319	82.5
314.27655	3.0
371.66394	1.0
386.40915	0.9
467.37274	63.8
467.81238	0.9
468.37555	2.3
552.33307	1.1
664.44769	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	664.4768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.9
55.01852	3.2
55.05502	5.4
57.03428	1.9
57.07064	3.1
57.99927	0.5
59.04969	1.6
67.05490	12.7
69.07061	6.6
71.08620	1.4
79.05479	10.0
81.07043	30.3
83.04957	2.1
83.08604	2.7
84.08123	1.0
85.10187	0.9
87.04440	1.2
91.05467	5.4
93.07029	10.9
95.04965	0.9
95.08591	12.8
97.06487	1.1
97.10160	1.1
105.07030	4.4
107.08571	6.6
109.06503	9.4
109.10139	4.7
111.04419	14.3
111.08070	0.7
117.06980	0.8
119.08546	4.6
121.10126	6.8
123.08022	2.0
123.11684	2.6
125.05957	4.5
130.08623	1.7
131.08530	2.6
133.08582	0.8
133.10095	4.5
135.08047	2.7
135.11674	5.1
137.05952	100.0
137.13240	1.9
138.06259	0.6
143.08498	0.9
145.10118	2.3
147.08023	1.9
147.11661	6.3
149.09616	3.3
149.13206	1.7
151.07518	2.1
151.11107	0.7
157.10101	2.0
157.62798	0.6
159.11693	1.5
161.09598	5.9
161.13269	2.5
163.11113	2.7
163.14839	0.9
165.09129	2.1
167.10634	1.0
171.11749	0.9
173.13158	0.9
175.11145	5.8
175.14751	1.4
179.10649	1.6
181.12138	0.9
185.13226	0.6
189.12689	1.7
190.82912	0.6
203.17941	4.8
213.16354	1.9
221.19031	1.6
223.14938	0.8
229.15312	0.6
231.17409	7.7
241.15880	1.1
249.18474	5.3
261.22073	0.6
277.17953	39.8
278.18430	0.7
295.18979	12.4
296.19440	0.6
302.08737	0.6
327.07687	0.9
328.08325	0.9
335.25726	26.9
351.21609	19.7
351.25836	1.3
369.22644	1.4
448.21518	0.6
496.27530	0.8
552.32758	1.7
608.39252	1.2
611.42938	66.5
612.43353	1.8
629.43921	4.7
664.44696	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.5133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	5.6
55.01859	12.7
55.05502	36.2
57.03434	15.9
57.07072	18.9
67.05494	100.0
69.07056	43.3
70.85773	5.3
71.04992	3.6
71.08623	13.1
74.51060	2.3
76.39913	2.6
79.05479	64.6
80.19901	2.5
81.07043	97.8
81.07528	4.9
83.04982	8.2
83.08604	22.5
85.06530	3.6
85.10183	3.8
87.04464	4.3
91.05464	50.7
93.06555	2.2
93.07029	65.4
95.04945	11.4
95.08588	76.4
97.06518	10.0
97.10152	11.8
99.08081	10.5
105.07006	40.7
107.04933	3.9
107.08569	39.9
109.06503	6.9
109.10137	38.1
111.08051	13.6
113.09622	7.1
116.66328	2.4
117.07017	10.2
119.08550	29.0
119.34068	2.2
121.10123	26.0
123.08043	8.8
123.11683	9.2
125.09621	6.9
129.06978	8.1
131.08527	15.6
133.10121	25.8
135.08041	2.9
135.11662	21.3
137.09564	3.9
137.13260	4.3
139.11140	2.3
143.08553	3.9
145.10100	16.1
147.11662	20.2
149.09578	5.2
149.13231	12.0
151.11157	3.2
153.12743	4.0
157.10100	7.5
159.11687	12.6
160.94000	2.3
161.13258	12.2
163.11169	7.3
163.14774	3.9
165.12741	9.8
171.11679	4.4
173.13220	5.7
177.12724	2.7
179.14352	6.3
183.11536	3.0
185.13255	7.0
187.14743	4.5
189.11110	3.8
199.14699	3.0
203.14287	4.2
227.12807	11.4
229.14294	4.3
239.17950	4.0
243.21126	3.5
257.19016	10.2
259.20526	6.4
261.22018	7.5
263.23621	2.7
267.15726	2.9
269.17426	3.0
275.19992	19.7
277.21591	35.6
279.23019	3.5
293.21149	3.2
295.22696	13.6
327.07721	7.9
328.07980	7.1
333.24060	3.7
335.25735	96.6
336.26202	4.8
337.27292	37.1
349.23672	20.2
351.25189	21.1
353.26810	4.9
369.26263	21.0
383.13919	5.9
384.14243	5.5
440.20435	8.1
491.37234	5.1
495.26694	3.2
496.26669	8.2
529.38574	3.0
552.33185	14.2
608.39703	15.0
611.46460	41.0
629.47601	31.4
664.45135	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	664.4397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.2
55.01849	1.6
55.05500	6.4
57.03427	2.4
57.07053	4.6
59.04976	2.0
61.02918	1.0
64.48956	0.5
65.03918	0.5
67.05492	14.9
69.03416	4.9
69.07059	3.6
71.01346	0.6
71.04984	4.6
71.08623	2.6
71.15526	1.2
71.33507	0.4
73.02899	0.8
79.05470	9.9
79.11774	0.4
81.03401	5.5
81.07037	12.6
83.04964	4.6
83.08602	6.6
84.08086	0.8
85.02885	9.0
85.06538	0.7
85.10162	1.4
87.04456	6.1
88.97655	0.5
91.05464	8.8
92.46971	0.5
93.07020	10.3
95.04943	14.0
95.08582	10.9
97.02859	2.7
97.06499	2.1
97.10149	1.4
99.04433	9.2
100.55539	0.5
101.05994	0.8
105.06345	1.0
105.06995	7.2
107.04960	0.8
107.08569	48.3
109.02849	1.5
109.06497	6.8
109.10144	10.2
111.04398	2.5
111.08065	1.7
113.05965	0.7
113.09643	0.8
117.06984	3.0
119.08559	5.6
121.06482	1.7
121.10111	13.1
123.08041	100.0
123.11674	7.9
124.08387	0.6
125.05980	3.2
125.09601	28.9
127.03889	1.6
127.25581	0.6
129.06981	1.8
130.08624	1.2
131.08549	6.7
133.06459	1.2
133.10097	3.4
135.08049	2.1
135.11676	2.3
137.05949	0.9
137.09596	2.1
139.11145	3.6
143.08528	1.7
143.10632	0.8
145.06477	0.8
145.10100	3.9
147.08028	1.8
147.11650	5.1
149.05960	0.9
149.09587	42.6
149.13202	0.9
150.09950	1.0
151.07504	6.1
151.11139	0.9
153.09064	1.0
155.08484	0.5
155.10608	1.0
156.09401	0.6
157.10123	1.4
159.08049	1.2
159.11670	2.1
161.09607	1.3
161.13226	1.5
163.07480	0.8
163.11154	1.6
163.14818	0.6
165.09062	5.3
165.12701	4.1
167.10648	14.6
169.10057	1.0
171.11664	1.9
173.09613	1.3
173.11707	1.7
173.13179	1.1
175.11172	1.0
175.14821	0.7
177.12666	1.0
179.10558	0.6
181.12224	1.0
183.13806	4.4
185.13109	0.9
189.09123	1.1
189.12704	8.8
191.06984	1.7
191.10666	5.4
193.12059	0.6
195.13753	0.7
207.13742	15.5
207.15704	1.0
209.15294	0.7
213.12709	1.0
215.10695	0.7
217.12173	1.3
219.13734	1.0
223.13272	2.0
225.14806	90.4
226.15163	1.1
229.14285	11.9
231.10109	1.3
231.13750	1.2
233.11748	0.5
235.13257	8.0
237.14790	3.9
249.14793	17.3
261.14847	3.1
261.22028	1.3
267.15900	6.3
273.14951	0.6
273.21783	0.6
277.21307	0.5
279.15848	2.5
280.11469	0.6
291.15851	5.0
297.14575	0.6
301.21814	0.7
313.24042	0.8
313.27344	10.2
313.30774	1.0
315.15814	6.1
333.16974	3.6
351.18060	1.2
351.23163	0.6
369.24243	1.9
387.24963	1.3
405.26068	1.4
413.71454	0.7
467.37277	7.3
593.38141	1.1
611.39221	3.1
629.39893	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	664.4403
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06427	0.2
53.03932	0.7
55.01849	0.3
55.05314	0.2
55.05499	1.7
57.03407	0.3
57.07051	0.9
63.03292	0.2
65.03929	0.3
67.05491	4.3
69.03420	2.1
69.07049	1.8
70.89143	0.6
71.04969	0.6
72.36848	0.2
73.02901	0.2
77.03918	0.2
79.05479	3.9
81.03410	2.8
81.07040	8.3
83.04948	0.8
83.08597	0.7
85.02889	21.4
85.06526	0.5
85.91576	0.2
87.04443	0.2
91.05459	6.0
92.59084	0.2
93.07024	4.9
94.50465	0.2
95.04961	1.5
95.08588	4.1
97.02855	0.8
97.06497	0.7
99.04427	0.3
103.05453	0.3
105.07009	11.2
107.04926	0.2
107.08566	4.3
109.02856	0.7
109.06487	2.4
109.10130	4.6
111.04430	0.5
111.08030	0.5
115.05424	0.3
116.06189	0.3
117.07001	2.6
119.08559	14.0
120.08897	0.3
121.06506	0.5
121.09320	0.3
121.10117	3.9
123.08050	1.6
123.11682	22.5
124.11996	0.3
125.05988	1.9
125.09598	1.0
127.03876	0.5
128.06195	0.6
129.06976	1.2
130.07771	1.5
131.08548	4.1
132.09357	0.3
133.06464	5.9
133.10104	2.3
135.08022	0.6
135.11699	1.0
137.09630	0.4
139.07487	0.3
141.05469	0.2
141.06970	0.6
143.08537	1.8
145.06395	0.4
145.10094	15.6
146.08115	0.6
146.10803	0.7
147.08034	2.6
147.11659	25.2
148.12001	0.4
149.09589	2.3
149.13249	0.3
151.07544	1.0
155.08485	0.5
156.09309	4.1
157.06493	0.2
157.10068	0.7
159.08017	1.7
159.11687	1.2
160.08804	0.6
161.09590	0.9
161.13194	1.3
163.11142	0.6
165.12755	0.7
167.08566	0.3
167.10614	0.4
169.08603	0.4
169.10060	0.5
171.11661	4.4
173.09564	0.2
173.13242	0.6
174.10356	2.0
175.11128	0.3
175.14990	0.2
179.14218	0.3
183.11545	0.3
185.13200	0.3
187.11174	0.2
187.14766	0.3
189.12703	100.0
190.13036	2.2
191.14241	0.4
197.13185	0.3
199.14745	0.4
207.13762	19.4
208.14104	0.3
224.16438	0.4
225.09668	0.2
225.14781	4.3
225.16895	0.3
229.86420	0.2
231.13542	0.3
249.14729	0.3
261.22046	0.5
301.21582	0.3
303.23135	0.3
351.23193	0.4
352.17526	0.2
369.24048	1.2
387.25214	1.2
405.25946	1.3
423.27435	0.4
611.39191	0.3
629.39899	0.4
665.41553	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.4405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
55.01841	0.5
55.05503	2.3
57.03413	0.4
57.07055	0.5
65.03911	0.4
67.05492	3.6
69.03414	1.9
69.07043	1.3
78.97342	0.3
79.05491	3.6
81.03389	2.1
81.07038	5.5
83.04956	1.0
83.08607	0.7
85.02879	2.7
85.06535	0.6
91.05464	6.4
93.07023	5.6
94.14658	0.5
95.04939	1.6
95.08591	4.3
97.02861	1.0
97.06529	0.6
98.20675	0.8
101.36178	0.3
103.02073	0.4
103.05406	0.7
105.07012	11.1
107.04903	0.8
107.08572	3.6
109.02885	0.5
109.06499	3.3
109.10149	2.2
111.04436	0.8
111.08045	0.6
115.05403	0.7
117.06989	3.3
119.08560	14.5
121.06451	0.7
121.10133	4.1
123.08026	0.9
123.11679	2.1
125.09612	0.6
127.03871	0.5
128.06163	0.8
129.06972	1.6
130.07747	1.4
131.08537	6.7
131.50949	0.4
131.62187	0.4
131.63162	0.4
133.06473	6.3
133.10121	3.7
135.08031	1.5
135.11618	1.3
137.09619	0.6
141.06944	0.7
143.08536	2.5
145.06403	0.6
145.10098	16.2
146.10814	0.5
147.08044	3.6
147.11659	24.6
148.11905	0.7
149.09566	1.1
149.13231	0.8
151.07542	0.7
155.08505	0.6
156.09315	5.3
157.10054	1.3
159.08006	1.4
159.11707	2.0
160.08861	0.7
161.09534	0.8
161.13252	1.6
163.11139	0.7
163.14786	0.4
169.10036	0.6
171.11670	5.5
173.09593	0.6
173.13217	1.2
174.10399	2.3
175.10995	0.4
175.43697	0.4
183.11707	0.9
185.13235	0.9
186.91293	0.4
187.14714	0.5
189.12706	100.0
190.13052	2.6
191.14287	1.6
195.11655	0.5
197.13120	0.7
207.13760	22.7
208.14041	0.5
211.14677	0.5
225.12724	0.7
225.14728	0.9
259.20438	0.5
261.22073	0.9
273.22131	0.5
277.14447	0.4
277.21521	0.8
289.21405	0.5
291.23083	0.5
303.23093	1.2
315.23163	0.4
327.23135	0.7
341.24585	0.6
351.23145	1.2
361.24289	0.4
369.24127	3.5
387.25198	4.4
405.26285	4.2
423.27490	1.0
547.32764	0.8
611.39276	0.7
629.39557	0.9
665.42413	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.3
55.05490	0.4
57.07069	55.6
68.44048	0.3
71.20586	0.8
77.03624	0.4
77.04028	0.7
79.05496	0.3
81.07024	0.5
86.61552	0.3
87.04465	0.8
91.05476	6.5
95.04954	0.8
97.82326	0.3
105.07033	1.5
107.08556	0.3
109.10091	0.3
114.82230	0.3
117.06998	0.5
119.08596	1.0
124.00888	0.3
132.09366	0.8
147.11662	7.4
152.06256	1.1
153.06956	3.6
171.08087	0.7
175.01515	0.4
228.09384	0.8
229.10158	0.8
233.03563	5.6
251.04642	16.4
307.10876	1.8
327.07751	100.0
328.08112	3.5
363.17245	0.5
368.10306	0.4
383.14008	73.5
384.14365	2.6
423.17770	0.4
424.16037	0.5
439.20273	76.5
440.20639	3.8
480.23599	0.4
495.26523	68.2
496.26855	2.2
517.90765	0.3
551.32770	90.8
552.33118	3.3
607.39001	87.7
608.39331	4.1
648.42017	0.8
663.45264	26.8
664.45618	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.0
53.89080	0.8
55.01859	1.7
55.05498	2.6
57.07042	1.4
67.05482	3.3
69.03413	2.7
69.07063	5.6
70.06572	4.3
70.11778	1.5
70.12123	4.6
71.04977	1.3
72.04488	1.2
72.08157	2.7
79.05466	2.0
80.05791	1.1
81.03394	2.4
81.07041	3.5
83.04960	2.1
83.08607	1.2
84.04488	1.2
84.08126	2.7
85.02869	3.0
85.06477	1.4
86.09695	1.2
89.06023	1.0
91.05457	3.4
93.07027	5.0
94.06539	4.1
95.04958	2.5
95.08599	5.4
97.02853	2.0
97.06484	2.2
97.24700	0.9
105.06995	4.1
107.08578	2.5
108.08115	1.2
109.02875	1.4
109.06479	2.0
109.10113	2.0
110.06046	1.4
111.04466	0.9
111.08018	1.4
119.08541	2.2
121.06478	1.7
121.10107	3.7
122.06011	12.0
123.07998	1.1
123.11672	1.9
124.07566	2.6
125.09598	2.1
129.06938	1.8
130.55058	0.9
131.04898	3.0
131.08499	2.3
133.10091	1.9
134.05981	0.9
135.11681	1.3
136.06133	1.6
136.07500	2.6
137.05916	3.3
137.09566	1.1
140.07024	17.7
145.10075	2.0
146.06000	7.4
146.08162	0.9
147.04414	1.3
147.08026	1.4
147.11635	1.6
148.07536	1.9
149.05946	1.0
152.07025	1.9
154.08589	1.0
156.08012	1.5
157.10008	1.0
159.07928	1.1
159.11658	1.5
161.09645	1.3
162.05452	1.9
162.07578	5.6
164.06976	1.4
165.09027	1.1
167.06985	1.2
169.10049	1.6
172.03885	7.5
172.09821	1.2
173.13293	1.2
174.05504	10.6
175.07405	1.2
176.07034	4.3
176.10713	1.2
188.07002	1.1
190.04935	2.7
190.08592	1.3
191.05664	1.0
192.06557	2.3
194.08089	2.4
197.10776	1.5
203.85602	0.9
204.06499	18.2
206.08218	4.9
209.08105	1.7
211.08607	1.9
212.09415	1.8
213.10115	1.1
223.12279	1.3
224.09322	1.7
225.10178	4.9
226.10837	1.7
227.11812	8.2
235.08734	1.1
236.09377	1.6
237.10112	5.5
238.10933	1.9
239.11752	3.9
240.12563	2.0
241.09700	1.9
242.10283	1.2
243.11185	2.0
245.03204	1.0
249.10179	8.0
250.10910	3.7
251.08279	0.9
251.09132	1.1
251.11746	9.9
252.12560	2.3
253.09645	8.7
253.12123	1.1
253.13292	1.4
255.11205	2.7
259.10635	3.2
263.08035	1.4
263.11694	3.1
264.08875	1.5
265.09665	14.6
265.12494	1.5
265.13492	0.9
266.10397	2.0
267.11276	7.3
269.12814	7.4
270.13382	1.5
271.10641	3.1
277.09616	2.8
278.06552	1.8
278.10416	7.3
279.07623	3.4
279.11227	15.1
280.11865	4.7
281.12708	2.3
283.10611	5.6
284.11450	3.5
285.12228	5.0
287.10870	1.7
287.13858	16.6
291.11005	1.7
293.09171	6.7
293.12759	7.2
294.09903	3.0
294.13348	1.4
295.10739	6.8
295.14392	3.2
296.11362	1.5
297.12244	6.6
299.13791	2.0
301.11951	2.7
306.09778	2.3
307.10611	3.5
308.11530	1.0
309.12247	9.7
311.10129	3.4
311.13852	2.9
312.11057	10.7
312.14456	1.8
313.11691	19.2
313.15448	1.4
315.13693	1.3
316.14340	2.8
317.11197	3.0
323.10306	2.3
323.13773	2.0
324.11124	4.5
325.11725	12.9
326.12338	1.2
327.13333	61.0
328.13852	4.8
329.11304	2.2
329.15005	1.9
330.12296	1.9
330.15982	3.4
331.12784	6.3
331.16669	2.3
335.10129	4.8
336.10693	2.3
337.11719	5.1
339.13330	84.5
340.13992	7.9
341.11145	1.4
342.12262	2.3
343.13095	2.2
344.17438	2.5
345.14374	10.2
346.19016	1.1
352.10327	1.6
353.11295	10.3
356.13614	2.5
357.14438	3.0
358.15302	3.8
363.15466	1.6
367.12814	83.2
368.13562	16.5
369.14417	4.2
370.15497	2.5
372.16849	2.9
373.13821	3.4
382.11523	1.7
383.12503	1.7
384.13226	6.0
385.13916	6.9
386.14612	4.3
386.19003	1.3
387.11615	1.6
390.18109	3.0
398.14978	8.9
399.15582	27.2
400.16486	20.1
401.16766	3.5
414.17874	2.9
416.15863	1.8
417.16638	3.3
418.17682	6.4
430.17697	2.1
431.18283	1.8
440.16058	2.6
444.15268	2.0
458.16989	14.5
459.17712	8.9
476.17896	1.4
477.11145	1.1
480.21054	3.0
490.19421	3.4
491.20364	1.7
508.20718	100.0
509.20895	7.1
523.19177	1.4
526.22089	8.5
540.23334	80.0
541.23639	6.4
581.23682	4.1
599.24884	71.7
600.25287	7.4
613.22638	1.9
631.27142	6.5
645.25055	3.5
663.27631	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	663.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82348	0.6
61.38232	0.5
67.05464	0.7
69.07018	2.4
71.17077	1.6
80.81841	0.5
81.07002	0.6
85.02869	0.5
91.05441	1.0
93.06987	0.8
94.06545	2.9
95.08548	0.7
105.57417	0.6
108.08082	0.6
122.06005	9.2
124.07471	0.6
134.05965	1.2
136.07576	0.8
140.07040	15.6
144.04358	1.6
146.05959	5.3
152.06987	1.5
156.10141	0.9
158.65617	0.6
162.05449	1.3
162.07567	0.9
172.03905	7.4
172.07567	0.7
173.04576	1.0
174.05453	6.4
176.07007	2.6
176.10669	0.8
177.44049	0.5
190.04869	1.4
191.05688	1.3
192.06546	0.7
194.08110	1.8
196.09569	0.7
199.12241	0.8
200.80786	0.5
204.06516	17.2
206.08078	5.6
208.09671	0.8
209.10602	1.0
211.08615	1.1
212.09160	0.7
222.11565	0.7
223.12263	1.2
225.10156	5.1
226.11018	1.2
227.11723	4.4
235.08568	2.7
236.09360	1.8
237.10124	6.3
238.10933	1.8
239.11728	2.4
240.12488	1.6
241.09663	1.0
241.13170	0.8
242.10397	1.0
243.11324	0.7
248.09256	0.9
249.10233	5.9
250.10863	3.1
251.07906	1.1
251.11763	14.5
252.12457	2.3
253.09648	6.4
253.13379	1.5
255.11131	1.0
261.10031	1.1
261.12466	0.9
262.10919	1.2
263.08060	0.8
263.11731	3.4
265.09656	14.2
265.12790	1.1
265.13416	0.9
266.10464	2.1
267.11255	5.2
268.11945	0.8
269.12778	5.1
271.10712	1.6
277.09656	2.5
278.10541	6.1
279.07684	3.7
279.11212	16.6
280.12015	4.4
281.09213	1.2
281.12744	2.5
282.09988	1.0
283.10712	4.3
284.11417	3.8
285.12213	3.0
287.13818	10.3
289.09610	1.1
291.11148	1.8
293.09146	7.1
293.12805	4.9
294.09778	4.7
295.10678	6.0
295.14349	2.6
296.11450	1.9
297.12207	7.2
298.13098	0.9
299.13852	1.8
301.12088	1.0
302.12720	1.1
306.09695	1.1
307.10788	3.9
308.11411	1.7
309.12210	10.8
310.12802	1.1
311.10202	3.0
311.13913	2.7
312.11050	8.3
312.14444	1.2
313.11752	15.8
315.13858	0.8
316.14352	2.1
321.12064	0.9
323.10361	1.3
323.13849	2.6
324.10977	4.9
324.14258	0.9
325.11789	16.3
325.15512	1.2
326.12570	1.7
327.13330	43.0
328.13840	2.6
329.15204	0.8
330.12268	0.8
330.15863	1.9
331.12869	4.5
331.16724	2.2
335.10300	4.9
336.10953	2.2
337.11667	4.4
339.13324	85.9
340.14005	5.8
341.14911	1.4
342.12286	1.6
343.13278	0.7
344.13858	0.9
344.17532	1.5
345.14374	11.7
349.11743	0.7
351.13544	0.6
352.10645	0.9
353.11292	8.5
356.13846	1.9
357.14590	2.4
358.15408	3.4
367.12817	65.8
368.13504	12.6
369.14340	10.0
370.15311	1.5
372.17154	2.0
382.11694	0.9
383.12573	0.9
384.13248	4.0
385.13901	10.1
386.14691	2.1
386.18909	1.3
388.16312	1.3
390.17960	2.4
394.15732	0.6
398.14825	6.0
399.15518	24.9
400.11618	1.1
400.16476	12.9
401.17090	4.5
403.19186	0.8
412.16678	0.9
414.18066	2.3
416.15881	1.1
417.16858	2.5
418.17139	3.0
430.17557	1.7
440.15988	2.1
441.16196	0.9
444.15692	1.1
458.17047	9.0
459.17773	5.0
460.18408	1.5
474.17053	0.8
476.17981	2.8
480.21045	1.8
490.19809	3.8
491.20377	1.5
508.20691	68.0
509.21283	4.1
526.21625	5.0
540.23303	100.0
541.23755	5.4
557.23608	1.1
581.23889	1.6
599.24896	60.4
600.25055	2.5
631.27515	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	663.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	1.1
62.73317	0.6
65.03906	1.1
67.05490	3.3
68.04999	0.8
69.03394	1.1
69.07051	9.4
70.06566	1.4
71.53310	1.1
72.08140	1.2
79.05466	1.3
80.04984	1.1
81.03390	0.9
81.07042	1.5
82.35450	0.6
83.08602	0.9
84.08125	1.6
85.02870	1.1
86.09666	1.1
89.06035	1.2
91.05461	1.1
93.05747	0.6
93.07036	1.4
94.06547	14.8
95.04929	2.3
95.08570	1.7
96.04448	0.7
97.02872	0.6
97.06493	1.1
104.04990	0.8
105.07020	1.0
106.06558	0.8
107.08551	1.1
108.08091	1.2
110.06029	1.3
112.07582	4.8
116.04950	2.0
118.06504	1.2
119.08492	1.0
121.10141	0.6
122.06003	42.0
123.04399	1.9
124.07542	1.4
133.10124	0.7
134.06020	1.0
136.06158	1.7
136.07556	2.0
137.05968	0.7
140.07034	69.4
144.04414	7.5
146.04820	0.8
146.05983	16.1
148.07507	1.5
152.07042	0.8
154.08575	1.2
162.05455	6.0
162.07578	1.9
164.07045	0.8
172.03899	52.9
173.04643	2.7
174.05473	19.2
176.07027	1.4
177.05403	0.7
178.08630	2.3
190.04970	3.1
191.05750	3.4
192.06506	2.6
198.09291	0.7
199.08665	1.3
204.06516	100.0
205.07060	2.6
206.08084	34.8
210.09131	1.5
211.08569	0.8
212.09221	1.0
213.10150	2.0
214.10910	0.9
222.07520	0.8
222.11464	0.9
225.10208	2.8
227.08176	3.1
227.11659	6.1
236.09361	1.7
237.10138	3.0
238.10878	1.3
239.11740	1.9
240.08734	1.0
240.12491	1.8
241.09666	3.7
241.13260	0.9
242.10460	13.5
243.11169	1.3
247.08495	1.2
248.09216	0.7
249.10100	4.0
250.11028	1.8
251.11726	7.4
253.09653	3.0
255.11230	13.0
256.12054	5.3
261.10049	1.0
262.10974	1.2
263.11758	14.5
264.12439	1.3
265.09674	3.6
265.13074	1.1
267.11322	3.0
268.72946	0.6
269.09222	0.7
269.12808	3.1
271.10748	1.4
277.09637	4.1
278.10428	1.8
279.08066	0.9
279.11172	11.7
280.11987	1.5
281.09540	0.7
281.12784	2.8
282.13599	1.2
283.10757	3.3
284.11526	12.8
285.12289	6.3
287.13895	4.7
290.10471	0.9
291.11133	5.4
292.11832	1.6
293.09128	2.5
293.12793	2.3
294.09860	1.3
295.10742	4.6
295.14056	0.9
297.12231	4.2
299.13870	1.8
300.12308	2.7
301.11765	8.4
302.12555	16.5
303.13293	1.0
307.10544	3.1
309.12244	11.5
310.12897	0.9
311.10306	1.2
311.13718	1.4
312.10919	2.5
313.11752	40.3
314.12769	0.9
316.14444	0.8
323.10287	0.8
323.13760	8.6
324.10806	1.1
325.11801	9.4
326.12430	1.2
327.13303	9.1
328.14301	1.3
331.12811	16.9
331.16473	1.2
335.10217	2.3
336.10953	8.6
337.11755	4.3
338.12540	0.7
339.13315	11.8
340.14029	2.6
341.14841	2.8
342.12088	1.0
345.14380	55.0
351.13370	1.5
353.11276	2.8
355.13348	1.3
356.13699	2.0
357.14410	1.3
358.15353	2.1
363.15466	4.8
367.12842	12.3
368.13574	11.7
368.17722	1.1
369.14359	20.0
369.19009	1.0
370.15237	3.7
372.17010	0.8
383.12289	1.0
384.13254	2.1
385.13971	6.6
386.14648	1.6
390.17703	0.8
398.14612	4.4
399.15497	10.8
400.16357	7.5
401.16388	1.1
410.53757	0.6
412.16147	1.5
414.18225	1.2
416.15836	0.9
417.16483	1.4
418.17419	1.8
430.17596	1.4
431.18143	0.9
440.15958	2.7
444.15308	0.9
458.16928	6.7
459.17764	2.2
474.16553	2.4
476.18182	0.7
478.19574	2.8
490.19403	2.5
491.20395	0.8
506.19070	1.7
508.20657	15.8
510.22488	6.0
522.22150	0.9
540.23309	64.0
541.23444	1.1
581.23663	2.1
599.24890	37.6
631.27490	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	662.498
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18798	2.5
53.03933	9.3
55.01873	5.5
55.05503	32.8
57.03416	17.2
57.07071	24.3
58.63560	2.8
59.04982	3.5
61.38914	3.2
65.03917	4.5
67.05499	90.4
67.48368	3.0
69.07061	41.5
69.82497	20.2
71.04995	3.8
71.08623	4.5
77.60248	2.6
79.05061	4.7
79.05487	73.5
81.07045	98.2
83.04951	9.8
83.08611	15.7
85.06526	7.0
85.10160	4.9
87.04458	53.6
91.05471	66.2
93.06475	4.6
93.07029	82.2
95.04952	13.3
95.08591	74.2
96.29653	3.0
97.06536	7.9
97.10148	21.8
99.08056	4.8
105.07027	48.8
105.07690	6.3
107.04908	7.8
107.08590	51.6
109.06499	8.7
109.10136	27.1
111.08088	4.9
117.07020	20.2
119.08579	41.6
121.06488	5.0
121.10130	30.7
123.08017	4.7
123.11689	8.1
125.09586	18.3
129.06992	13.2
131.08539	28.8
133.10143	28.7
135.11662	15.1
143.08586	6.4
145.10109	27.0
147.08095	3.6
147.11659	32.7
148.02113	3.2
149.09602	8.7
149.13217	9.6
155.08534	4.4
157.10110	8.3
159.11670	22.8
161.13235	10.2
163.11134	4.8
163.14836	3.9
164.83606	3.0
169.10150	4.5
171.11658	8.8
173.11794	3.6
173.13165	17.4
177.12747	3.6
183.11664	6.6
185.13240	11.4
187.14771	8.3
189.11172	7.7
197.13287	4.4
199.14885	4.0
219.17500	4.8
227.12741	29.3
229.19331	3.7
239.17940	5.9
243.21037	4.2
257.18848	15.1
261.22153	10.2
267.15796	6.5
275.20013	57.6
277.21436	3.5
293.21100	3.7
327.07712	8.2
334.24524	3.4
335.25760	100.0
336.26224	5.0
349.23672	51.7
366.94183	3.1
383.13977	9.5
439.20236	14.1
489.35684	9.1
495.26596	8.4
505.35297	8.8
513.39105	5.2
529.38422	7.4
537.64215	3.6
546.41235	3.6
551.32648	12.7
569.41760	5.1
607.38354	15.7
609.44757	50.3
627.46216	6.5
662.33966	5.6
662.44257	6.3
663.45282	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	662.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.1
53.03930	0.2
55.01857	0.7
55.05498	1.0
56.05027	1.9
56.40525	0.1
57.03425	1.0
57.07064	0.3
58.02932	0.2
59.04995	0.3
60.04513	8.9
61.02924	0.6
65.03936	0.1
67.05486	2.0
68.05011	1.3
69.03413	3.1
69.07056	1.3
69.32981	0.6
69.33412	0.6
70.02940	0.1
70.06577	2.0
71.04986	1.0
72.04501	17.4
72.08128	0.2
73.02895	0.5
75.33319	0.1
79.05479	0.8
80.05002	0.7
81.03402	1.0
81.07038	5.0
82.06570	0.2
83.04980	0.2
83.08604	0.5
84.04486	12.6
84.08128	0.4
85.02884	4.9
85.06516	0.5
86.06038	0.8
86.09695	0.4
87.04478	0.1
88.03967	0.3
89.06027	0.9
90.05532	0.4
91.05467	0.8
93.07024	1.7
93.87248	0.1
94.06508	0.1
95.04955	0.4
95.08582	5.5
96.04469	2.9
97.02868	3.8
97.06503	0.2
97.10155	0.4
98.06033	2.8
99.04441	0.6
99.08089	0.1
100.03965	0.2
102.05509	0.8
103.03923	0.3
105.07000	1.3
107.08567	1.6
108.04469	0.6
108.08148	0.1
109.02857	0.5
109.06560	0.2
109.10130	1.9
111.08022	0.2
114.05488	1.3
115.03912	1.0
116.07047	0.3
117.06995	0.2
119.08559	1.2
119.55629	0.1
121.06523	0.2
121.10120	1.5
122.06004	0.1
123.11687	1.4
125.09606	0.2
126.05491	3.6
126.06369	0.3
127.03896	3.3
129.06969	0.3
130.08617	0.4
131.08524	0.7
133.08568	0.4
133.10091	0.8
135.11655	1.2
137.05943	0.3
137.09569	0.2
137.13210	1.9
138.05418	0.2
142.07703	0.2
143.08533	0.9
144.06528	8.6
145.04904	1.1
145.10077	1.1
146.08051	0.2
147.04324	0.2
147.11682	0.7
149.13219	1.0
151.07494	0.3
151.11185	0.2
151.14758	0.2
153.05421	0.2
155.08553	0.7
155.14275	1.2
156.08093	0.2
156.09268	0.7
157.10069	1.1
159.11658	0.9
161.09564	0.3
161.13194	0.5
162.07578	100.0
163.07948	1.3
163.11153	0.2
163.14746	0.3
167.07069	0.3
167.08463	0.1
168.09259	0.3
169.10103	0.9
171.11676	1.4
173.09630	0.2
173.13150	0.3
175.07510	0.1
175.14777	0.3
177.05455	0.3
177.11176	0.4
177.16319	0.2
180.08621	5.2
181.10092	0.3
182.10794	0.2
183.11661	0.6
185.09583	0.1
185.13161	0.5
187.07445	0.2
187.11142	0.4
187.14787	0.2
189.12695	0.3
191.17905	0.8
193.10187	0.2
195.11714	0.7
197.13193	0.4
199.14798	0.3
203.10515	0.3
203.17900	0.4
205.19449	0.6
209.13118	0.3
211.14812	0.4
212.16397	0.2
213.18303	0.2
215.06845	0.1
215.10417	0.3
215.17900	0.2
217.12221	0.1
217.19467	0.4
221.13181	0.2
223.14729	0.4
225.16270	0.4
229.12039	0.1
235.14886	0.1
237.16216	0.2
241.09744	0.2
243.11230	0.2
243.13680	0.2
249.10120	0.2
253.16173	0.2
258.88718	0.1
259.10681	0.2
271.17215	0.1
271.22510	0.4
285.12189	0.6
301.11630	0.2
303.13089	0.1
306.53040	0.1
311.10141	0.2
311.20010	0.1
313.11404	0.2
315.15729	0.3
317.13870	0.1
319.15643	0.1
331.15356	0.2
333.16727	0.4
372.13586	0.1
373.14029	0.2
399.15234	0.2
400.15692	0.2
465.29315	2.4
465.35129	0.2
466.30225	0.2
474.16763	0.1
483.30869	2.6
505.17953	0.3
613.22278	0.2
631.23334	0.2
635.21570	0.1
645.23816	0.2
662.38055	0.2
663.25476	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02946	0.7
52.39492	0.7
53.10182	0.7
53.94132	0.6
57.07057	1.2
66.81233	0.7
82.58874	0.7
87.04465	10.3
89.06020	0.8
98.20720	1.5
108.83642	0.8
121.52377	0.7
130.94873	0.8
174.23984	0.7
189.83989	0.7
229.56068	1.0
389.17749	1.1
401.17419	0.9
403.19131	2.5
415.19446	1.3
417.20743	3.3
418.17343	1.2
429.16525	1.6
429.21637	1.0
430.17831	1.5
431.18005	5.0
431.23578	1.0
432.19232	1.2
433.24063	8.2
443.23425	0.8
444.18866	3.8
445.19745	6.3
446.17603	3.5
447.17523	4.5
458.21109	0.9
459.21741	41.2
460.22754	9.0
461.23782	3.9
471.22043	0.9
473.23181	2.6
475.21259	12.4
476.21973	2.0
487.25226	2.1
491.25162	1.7
503.24500	1.6
516.84888	0.8
519.23663	7.0
531.24017	2.4
533.22144	2.3
535.23737	3.1
545.25415	4.7
546.25964	2.1
547.27118	22.6
560.10016	0.8
561.21527	1.0
562.25464	1.0
563.26459	2.8
574.25580	2.6
579.25519	0.8
590.25446	1.2
591.25977	3.3
593.24115	5.2
605.27362	6.4
606.28284	100.0
607.28815	8.0
622.27734	67.1
622.38196	1.9
623.28070	2.1
630.26837	1.8
662.29572	18.7
662.43915	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	661.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62382	0.1
55.01849	0.1
55.05481	0.3
66.40240	0.1
67.05456	0.2
69.03387	0.2
69.07057	0.9
70.01584	0.5
70.01999	0.2
70.06551	0.3
70.07386	0.2
71.04971	0.1
79.05452	0.3
81.06998	0.4
83.04942	0.2
83.08582	0.3
84.08096	0.2
85.02850	0.2
86.09663	0.3
89.05981	0.4
91.05450	0.2
93.06994	0.3
94.06512	0.2
95.04985	0.1
95.08540	0.3
105.06964	0.4
105.21292	0.1
107.04913	0.1
107.08562	0.2
108.08080	0.2
109.02815	0.2
109.10090	0.2
119.08535	0.3
121.06378	0.1
121.10079	0.3
122.05975	0.3
127.03928	0.2
131.08534	0.2
133.08475	0.1
133.10098	0.3
134.05952	0.3
137.05923	0.2
140.07014	0.2
146.05986	0.2
147.33665	0.1
152.07014	0.8
157.10049	0.1
162.07648	0.2
162.15590	0.1
166.08568	0.5
167.06985	0.2
177.05307	0.2
177.11176	0.3
177.69246	0.1
192.06526	0.3
193.64622	0.1
194.08102	1.9
195.12187	0.1
196.12547	0.2
202.83943	0.1
207.06549	0.2
209.10588	0.2
209.37422	0.1
211.08553	0.2
221.10703	0.4
222.11516	0.2
223.08673	0.2
223.12308	0.4
233.10725	0.2
234.11462	0.2
235.08559	0.9
236.09340	0.4
237.10191	1.6
238.10860	0.4
247.08534	0.2
248.09253	0.2
249.10185	6.3
250.10973	2.2
251.08167	0.9
251.11725	3.2
252.12454	0.6
253.09810	0.2
253.13376	0.3
253.16594	0.1
261.10239	0.7
262.11011	0.4
263.08014	0.6
263.11713	0.8
264.08871	0.6
265.09668	7.9
265.12753	0.3
266.10327	0.4
267.11191	0.4
267.14999	0.2
268.12134	0.4
269.12802	0.3
277.09647	3.4
277.12692	0.2
278.10434	6.5
279.07587	7.7
279.11209	9.1
280.11917	1.0
281.09174	0.2
281.12473	0.3
282.09879	0.9
283.10715	0.2
289.09653	0.4
291.07797	0.2
291.11252	0.1
292.08258	0.4
292.11722	0.2
293.09213	1.5
293.12720	9.5
294.09906	0.2
294.13330	0.4
295.10794	0.7
295.14233	0.2
296.11459	1.0
297.12192	0.6
305.09183	1.5
306.10010	1.1
307.10669	2.8
308.11377	0.8
309.08920	0.2
309.12170	1.6
310.09351	0.8
310.12881	0.3
311.10236	5.5
311.13898	0.6
312.10745	0.2
313.12094	0.1
321.12238	0.9
322.13123	0.4
323.10181	1.0
323.13858	0.7
324.11026	1.6
324.14737	0.3
325.11749	4.2
326.12573	0.8
327.13510	0.4
328.14444	0.2
333.08569	1.9
334.09235	0.3
335.10065	0.2
337.11880	0.6
338.12576	1.0
338.16302	0.3
339.13327	29.7
340.13974	0.9
341.11487	0.6
341.15353	0.2
342.12262	0.4
342.16083	0.2
345.14612	0.1
349.11566	0.1
351.09695	4.0
352.10419	1.6
352.14343	0.2
353.15009	2.7
354.11966	0.6
355.13171	0.9
356.13876	1.4
356.17728	0.2
366.12033	5.4
366.15619	0.3
367.12796	7.6
367.16730	0.4
368.13736	0.8
369.10571	0.2
369.14508	2.2
370.15353	1.0
371.15930	0.2
377.29041	0.3
378.29147	0.5
380.13992	0.8
382.11517	0.3
382.15771	0.2
383.12195	1.0
383.16238	0.2
384.13086	2.5
384.17090	0.5
385.13593	0.2
385.18103	0.2
396.13467	0.5
396.30380	0.3
397.13971	0.8
398.14529	3.9
398.18631	0.5
399.15417	100.0
400.15826	2.3
401.13519	1.2
410.14838	0.3
412.16730	0.8
413.17517	0.2
414.14221	0.9
415.14920	0.2
416.15860	0.5
428.16074	0.3
429.16653	0.8
430.17514	0.5
438.14313	0.6
439.15393	0.2
440.15848	0.3
444.19000	0.9
456.15500	1.0
457.16196	3.2
458.16925	2.1
471.17892	0.2
474.16626	0.4
488.18057	1.4
489.18848	9.5
490.19556	2.8
506.19046	0.8
507.19913	0.4
508.20526	0.2
538.21741	21.3
539.22467	7.4
540.22974	0.4
579.22308	0.5
597.23315	3.7
611.24768	0.4
614.98840	0.2
629.25885	4.4
661.27637	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01838	0.9
55.05486	0.9
56.05006	0.9
57.03427	1.1
65.03925	0.9
67.05476	2.8
68.01667	0.7
69.03415	2.7
69.07048	2.4
69.46010	3.2
69.46442	3.4
70.06553	1.3
73.02899	0.8
77.03903	0.9
79.05476	3.4
81.03370	1.0
81.07048	2.5
83.04942	1.5
83.08618	1.2
84.08122	9.4
85.02882	2.3
85.06541	1.0
86.09697	0.8
89.06015	1.8
91.05455	3.7
93.07031	4.8
94.06537	4.2
95.04935	1.7
95.08571	2.4
96.04477	0.7
97.02872	2.9
97.06530	1.0
97.12847	0.8
99.04410	0.9
105.06991	2.3
106.06545	2.3
107.08568	3.2
108.08113	2.9
109.02856	0.9
109.06492	0.9
109.10130	2.3
111.04449	0.9
111.08060	1.1
117.06969	1.2
119.08538	4.1
120.04461	0.9
120.08079	2.7
121.06504	1.2
121.10124	3.1
122.06007	14.8
124.07562	1.4
127.03912	1.2
131.04831	0.8
131.08524	1.6
133.08609	0.9
133.10081	2.0
134.06003	2.1
135.11682	0.8
136.07549	15.3
137.09589	1.1
138.05528	0.9
140.07050	5.4
143.08427	1.0
144.04456	1.0
144.08018	1.0
145.10081	2.1
146.05971	9.9
146.09598	1.2
147.07974	1.3
148.07539	11.4
149.09605	1.5
150.09122	1.5
152.07021	3.2
152.24507	0.8
157.10078	1.0
161.05893	0.9
162.05484	1.8
162.07613	2.8
163.07599	0.9
163.11128	0.8
164.07037	14.7
165.09059	1.6
166.08600	16.3
167.07039	1.1
168.06563	2.8
172.03900	8.4
173.04651	1.2
174.05481	6.6
174.09210	1.1
176.07036	16.7
177.05438	1.7
189.05444	0.8
190.04933	3.2
191.05774	3.0
192.06503	1.9
197.10558	0.8
204.06509	9.3
206.08063	2.0
207.06285	1.0
208.09753	1.8
210.11444	1.4
211.08612	1.6
211.12247	2.2
218.08134	1.5
221.10764	1.4
222.11382	1.2
223.12279	1.9
224.09438	1.8
224.13045	2.1
225.10213	4.4
227.11777	3.3
233.08009	1.0
235.08630	1.4
235.12257	3.2
236.13058	1.1
237.10155	8.7
237.13863	2.4
238.10953	11.0
239.11716	14.5
240.12079	0.9
241.13437	1.6
243.11218	2.9
248.09456	2.5
249.10106	7.4
250.10942	4.2
251.11748	11.8
252.12450	2.0
253.09569	0.9
253.13373	3.0
255.11238	2.8
261.10123	1.4
262.10941	1.4
263.08771	1.6
263.11700	12.9
264.08771	2.8
264.12421	3.7
265.09689	5.3
265.13297	26.1
266.10379	2.1
266.13986	1.2
267.11224	5.5
268.11786	1.1
269.12756	2.9
271.14301	9.3
271.19876	0.8
276.08948	0.9
277.09637	4.6
277.13354	2.5
278.10312	3.9
279.11218	100.0
280.11969	9.2
281.09409	1.4
281.12796	4.7
283.10767	3.5
283.14154	1.6
284.11551	1.6
285.12277	6.9
287.13782	3.2
289.12042	1.3
289.15405	3.3
291.11136	5.2
293.12756	6.5
294.13342	1.0
295.10660	4.7
295.14307	2.7
296.11462	4.1
297.12280	61.2
298.13019	7.5
299.10419	1.0
299.13937	2.3
309.08667	1.9
309.12274	37.9
310.13019	18.7
311.13718	5.4
312.10791	1.1
313.11771	4.8
315.13284	7.0
317.14981	2.6
319.10699	3.6
321.12210	10.7
322.13040	1.1
323.10208	3.9
323.13940	1.4
324.10934	2.6
325.11719	5.8
326.12677	1.6
327.13425	1.3
332.13763	0.9
337.11737	49.0
338.12555	19.0
338.16443	1.5
339.13315	64.7
340.13934	5.2
341.11371	3.6
341.15012	1.2
342.12109	1.3
343.13022	1.8
345.14688	1.9
351.09775	1.2
354.12222	1.1
355.12988	1.2
358.15546	1.1
359.12265	3.2
360.17059	0.9
367.12970	1.5
368.13773	2.5
369.10040	0.9
369.14380	13.7
370.14996	2.8
371.15973	37.5
372.16473	1.7
373.13742	2.5
377.28952	1.1
385.13730	2.4
387.15530	0.9
396.13220	1.3
399.15494	1.8
400.16580	2.9
402.18222	1.2
413.33603	2.7
416.15836	1.4
418.17175	1.2
428.15878	1.6
429.16327	1.0
432.19547	1.2
438.14432	1.1
442.17429	3.6
448.18707	1.2
456.15482	2.0
457.16199	2.0
458.16861	1.4
458.37045	0.8
460.18567	62.1
461.19333	4.6
465.19110	1.1
466.19470	5.9
474.16513	1.2
478.19754	2.3
488.17642	1.6
489.18695	2.8
490.19470	1.3
492.21313	1.1
494.19028	2.3
506.19125	47.2
507.19626	3.4
508.20615	10.6
524.20184	4.2
538.21802	24.2
539.22235	3.1
585.26666	1.2
593.23505	1.3
597.23181	3.3
599.25562	1.8
611.24780	4.7
625.25708	1.5
629.25940	81.8
630.25885	2.2
643.25543	1.3
661.28241	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	661.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.3
55.05496	0.3
65.03911	0.4
66.98243	0.2
67.05490	1.4
69.03400	0.7
69.07052	1.4
69.87711	0.7
69.88102	0.5
70.06586	0.5
79.05457	0.5
80.04997	0.3
81.03374	0.2
81.07046	0.6
83.04962	0.4
83.08578	0.2
84.08123	0.4
85.02885	0.6
91.05456	1.0
93.07042	1.3
93.67224	0.2
94.06541	3.5
95.04963	1.3
95.08606	0.5
97.02863	0.4
97.06480	0.4
98.06052	0.2
98.20808	0.4
105.06984	0.8
106.06548	0.3
107.04926	0.2
107.08553	0.6
108.08086	0.5
111.28474	0.2
112.07592	0.6
116.04882	0.5
119.08577	1.0
121.06427	0.3
121.10121	0.8
122.06010	10.9
122.06897	0.5
123.04395	0.3
127.03887	0.4
131.08574	0.4
133.10094	0.5
134.05937	0.2
135.06746	0.2
136.07545	1.3
137.06094	0.3
137.09583	0.4
140.07039	10.8
144.04436	1.4
145.10101	0.4
146.05984	2.5
148.07564	0.5
149.09618	0.3
150.05453	2.1
151.07489	0.3
156.10191	0.5
159.11540	0.2
160.07558	0.4
162.05447	1.0
162.07588	0.3
168.06554	1.8
168.10179	0.5
171.09140	0.3
172.03897	8.2
172.07529	1.0
172.11285	0.2
173.04639	0.4
173.13277	0.3
174.05472	3.4
174.09137	0.3
177.05475	0.4
178.08638	0.3
182.08151	1.3
182.09567	0.4
185.10712	1.3
186.09064	0.4
187.12315	0.4
190.05052	0.5
191.05734	0.8
192.06570	0.5
196.07675	0.3
196.11237	0.4
197.10677	0.4
198.09184	2.0
199.08430	0.4
199.12294	0.7
200.10832	0.3
201.10197	2.3
201.13785	0.3
202.08685	0.2
204.06525	12.8
205.07036	0.3
206.08072	3.2
211.08441	0.5
212.10835	1.5
212.54233	0.2
213.10085	2.7
213.13734	0.4
214.10947	0.8
215.11794	2.4
218.08131	0.6
224.10759	0.3
225.10173	3.1
226.08788	0.5
226.10886	0.5
226.18013	0.3
227.08096	2.8
227.11632	1.2
228.12524	1.3
229.09683	2.3
229.13332	0.9
230.14113	0.4
231.53735	0.3
239.09543	0.4
239.11603	1.1
240.10147	1.0
241.09660	5.3
241.13324	3.9
242.10432	9.3
243.11240	5.4
244.11868	1.1
254.10391	0.3
255.11201	2.2
256.09412	0.5
256.12012	8.3
257.10745	0.4
257.12796	9.1
258.11154	2.1
258.13596	1.4
259.11212	0.4
267.11255	1.3
269.09229	0.7
271.10876	0.3
271.14279	0.8
272.12726	0.7
274.13174	0.4
283.10870	0.3
284.11481	6.5
285.12256	6.8
286.12680	0.4
287.10150	1.7
287.13077	0.2
289.12082	0.5
289.15369	4.1
299.10190	0.9
299.13873	0.7
300.11801	0.4
301.11685	1.2
302.12589	3.4
313.11746	5.1
315.13336	2.1
317.14890	100.0
318.15253	2.9
329.11172	0.5
331.12802	2.4
345.14365	4.8
363.15482	0.4
386.14902	0.3
430.17734	0.3
444.19028	0.3
456.15564	0.4
460.17853	0.4
474.16632	2.5
488.18042	2.3
489.18814	0.9
520.20599	0.5
585.26532	1.0
597.23169	0.6
601.25922	0.4
611.23212	0.3
629.25897	10.8
630.26318	0.6
631.71509	0.3
643.26428	0.4
661.27515	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.4882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.6
56.62072	0.5
57.07068	41.6
59.04992	17.0
66.01836	0.5
67.05507	1.0
69.07064	2.4
70.06586	0.8
71.08621	78.0
71.25992	0.6
71.26351	1.0
72.08940	0.9
73.06560	4.0
76.56527	0.6
79.05477	0.6
81.07039	1.3
83.08600	1.1
84.08138	1.4
85.10169	41.7
87.03925	0.8
87.04459	14.2
87.04971	1.1
89.06016	100.0
90.06351	0.8
91.05470	0.6
91.07583	1.2
93.07042	0.7
95.04979	0.9
95.08609	0.9
97.10149	0.9
98.72333	0.5
100.07613	0.8
103.07568	5.7
105.07018	0.9
107.04912	0.5
107.07058	4.1
108.02274	0.5
109.10145	0.7
116.07138	0.8
117.09093	4.8
127.14822	5.5
129.09102	0.7
130.08626	6.9
131.07022	5.0
133.08585	75.8
135.08067	1.4
135.10167	0.7
141.16322	0.7
146.08090	3.2
161.11717	1.5
175.09625	4.6
175.13223	0.6
177.11194	32.7
185.18983	8.3
206.14169	0.6
209.11855	0.7
214.34929	0.6
219.12212	2.4
221.13805	7.2
223.15224	0.7
229.21616	6.9
237.13217	0.6
239.14859	2.4
251.08485	0.5
257.37686	0.5
265.16446	2.0
273.24200	0.6
275.19913	0.7
283.17480	3.5
309.19000	1.4
327.20053	3.0
338.81906	0.6
353.21631	1.2
371.22543	1.9
397.24091	1.1
415.25061	1.9
441.26730	1.5
459.21439	0.9
459.27899	15.5
499.31064	2.6
503.30148	0.7
510.21545	0.5
643.45844	4.2
660.38330	0.7
660.48718	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	660.394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.0
54.23254	0.4
54.97867	0.4
55.01857	0.6
55.05266	0.5
55.05503	6.4
57.03191	0.4
57.03434	4.4
57.07067	0.6
59.04979	0.7
59.88837	0.4
61.02926	2.8
65.03917	1.3
67.05496	24.9
69.03410	1.3
69.07060	8.7
69.38967	1.9
69.39394	2.2
71.04984	2.4
71.08629	0.4
73.02911	1.1
74.32376	0.4
79.05483	13.8
81.03393	1.9
81.07045	32.4
83.04959	3.4
83.08607	8.8
84.08096	1.0
85.02879	2.8
85.06535	2.1
89.06040	0.7
91.03940	1.2
91.04901	0.6
91.05463	10.0
93.07030	25.0
95.04956	3.1
95.08593	9.7
97.02873	1.1
97.06512	5.2
97.10155	1.4
99.04446	0.5
99.08068	1.1
103.03978	0.4
105.07011	5.7
107.07045	0.5
107.08581	14.8
109.06490	1.3
109.10139	2.6
111.08035	2.5
117.06996	5.1
119.08572	3.2
121.06518	1.2
121.10125	7.1
122.77062	0.4
123.08090	0.8
123.11711	2.1
127.03882	0.5
129.05612	0.5
129.06987	1.8
130.08620	2.2
131.08534	7.5
133.08565	1.6
133.10098	7.3
135.08043	1.3
135.11684	4.7
141.06953	0.7
143.08540	1.6
145.10121	2.0
147.11641	1.7
149.13237	12.6
151.11169	0.9
153.82671	0.4
155.08562	0.9
157.10106	1.1
159.11685	5.8
169.10103	0.9
171.11766	0.8
173.13156	0.8
177.12689	3.1
183.11656	0.7
195.11858	0.7
195.13771	7.1
195.49205	0.4
209.13188	0.7
213.14694	0.8
217.15863	0.6
237.83995	0.5
251.16435	1.6
269.17447	23.2
270.17984	0.6
315.51193	0.4
335.23315	0.6
353.24762	2.0
371.25751	1.4
389.26700	1.3
445.29419	13.3
446.29669	0.8
463.30481	100.0
464.30899	5.6
481.31601	1.2
589.33496	0.6
607.34985	3.3
610.21954	0.8
660.32782	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.3
55.05258	0.3
55.05499	2.9
56.05015	0.8
57.07064	0.5
61.02919	0.2
63.41768	0.2
64.03475	0.2
67.05470	0.5
69.07043	0.3
70.06561	0.4
71.01455	0.2
71.08611	0.7
71.52809	0.3
74.02423	2.7
77.01660	0.2
79.05479	0.4
80.04975	0.2
81.07036	0.8
82.06566	18.9
83.04984	0.2
84.08109	0.5
85.02892	0.5
85.10160	0.4
87.04436	0.4
89.06004	1.0
91.05468	0.3
93.07002	0.3
94.77898	0.2
95.08577	0.4
100.07600	15.9
101.07939	0.3
101.73360	0.2
105.07010	0.7
107.08585	0.3
109.10167	0.2
120.23222	0.2
121.10091	0.3
125.54256	0.2
128.07062	8.9
130.08612	0.9
131.08566	0.2
133.08569	0.7
133.10101	0.2
136.06149	0.4
146.08095	100.0
147.08453	1.3
149.09641	0.2
163.11221	0.2
173.35287	0.2
177.11197	0.3
184.07275	0.5
275.20023	0.4
300.24213	0.2
324.54034	0.2
335.26212	0.3
343.49066	0.2
376.06815	0.2
387.14188	0.3
401.15469	0.6
410.14560	0.2
412.14517	0.3
413.15250	0.2
423.14139	0.3
424.14459	0.2
429.17810	0.3
437.15988	0.3
438.16422	0.3
439.17270	0.2
442.16223	0.3
444.16037	0.3
452.17972	0.5
456.17160	0.2
457.17484	0.4
466.15350	0.3
470.14490	0.3
483.15366	0.3
485.16830	0.4
494.19382	0.4
496.16901	0.4
497.17038	0.4
499.15207	0.2
509.17099	0.4
510.18085	0.5
512.16370	0.3
513.16443	1.1
522.18457	0.5
523.17554	0.4
540.19647	0.4
541.19031	0.7
552.18842	0.3
554.20447	0.5
572.22052	0.6
573.21716	0.8
582.20483	2.2
583.20526	0.8
588.37646	0.2
599.20532	0.3
600.20770	2.6
601.21588	1.1
614.23407	1.2
615.22577	0.5
628.20746	1.4
629.20911	0.4
642.22528	6.5
643.22559	2.2
660.23346	2.2
661.23340	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28539	0.5
51.34662	0.7
55.01860	1.7
55.05512	0.8
56.05015	0.6
56.66892	0.7
57.03415	2.3
60.04551	0.7
65.03944	0.7
67.05490	1.7
69.03423	0.9
69.07056	1.1
70.06577	5.2
71.04972	1.0
71.52656	1.1
72.08139	2.6
73.02895	0.9
73.44210	0.6
79.05477	1.3
81.03405	1.1
81.07034	1.4
84.04485	1.7
84.08118	2.7
85.02886	4.6
85.06573	0.6
86.09690	3.5
88.02197	1.0
88.03942	0.7
91.05479	4.4
93.07019	2.1
94.06544	1.0
94.33483	0.6
95.01301	4.0
95.04948	1.7
97.02876	2.1
97.06504	0.8
97.51116	0.7
99.04430	1.4
100.07595	1.0
103.03900	1.3
103.05443	1.8
105.07022	5.5
107.04945	2.9
108.04447	0.6
109.02881	1.3
109.06520	1.1
109.10124	1.2
110.06017	0.7
110.07145	1.2
111.04402	0.7
113.02307	3.3
115.05431	1.6
116.07050	0.7
117.03344	2.6
117.05457	5.1
117.06985	1.0
119.04920	2.2
119.08559	1.3
121.06482	2.9
121.10126	2.0
122.03639	2.3
122.06021	0.9
123.00755	0.9
125.05980	0.8
129.05551	0.6
129.10211	0.9
130.08589	1.4
131.03418	0.8
131.04901	3.1
133.02826	1.1
133.06425	3.7
133.10101	0.7
134.02632	0.6
135.04395	1.8
135.08025	1.2
136.07475	0.9
137.05948	100.0
138.05405	4.4
138.06322	2.1
140.07057	1.2
141.01793	14.1
143.04878	0.7
145.02815	10.4
145.06479	1.6
147.04361	7.5
147.08067	1.6
149.05963	6.4
150.05447	1.0
150.06641	0.9
151.07500	6.2
153.05466	1.7
159.04416	0.9
160.05154	1.3
161.05949	49.1
162.06659	3.4
163.03865	0.7
163.07518	3.1
163.11096	0.8
164.04688	1.3
164.06998	1.3
165.09093	1.1
167.06989	4.2
167.10614	0.8
175.07501	8.8
177.05434	24.9
177.09068	0.7
178.05779	0.8
179.06993	90.5
180.07349	1.8
181.04945	0.6
181.08493	1.5
185.05983	0.7
187.07498	2.2
188.04692	0.8
189.05432	1.1
189.09030	1.0
190.59612	0.6
191.07014	6.6
193.06421	0.8
195.06461	2.2
197.13004	0.7
200.04593	0.8
201.05438	1.1
203.06989	58.9
204.07437	1.7
205.06580	1.4
205.08476	1.0
207.06308	0.9
207.10194	0.8
209.08087	2.0
214.06125	0.9
215.07011	6.2
217.08434	1.2
219.06387	0.8
221.05971	1.8
223.05946	1.8
224.08395	0.8
225.09045	2.4
229.04965	1.1
231.06529	2.0
233.07982	4.8
237.08870	1.0
243.06438	1.7
245.08031	2.3
253.08510	2.8
253.10677	33.0
257.08176	1.4
261.07581	2.4
265.06039	0.9
265.08423	4.2
267.10153	2.6
271.05902	5.0
271.11734	4.9
273.07510	1.8
277.10822	3.9
279.10965	0.7
281.10220	0.8
283.15353	0.8
285.11127	6.4
289.07071	2.1
295.11774	12.0
297.11160	10.7
298.28439	0.8
301.07040	1.2
303.05078	0.9
304.05060	1.4
307.08127	4.6
307.11801	0.9
309.11142	1.6
315.12158	1.5
319.08020	1.7
325.08997	1.5
327.12186	11.9
328.12729	0.8
329.13614	0.9
337.09106	4.9
337.12485	1.2
339.12100	8.2
349.12814	1.5
357.13199	1.3
370.19064	0.7
393.11676	1.9
401.15924	1.4
411.12830	6.8
413.15784	3.5
419.16986	5.7
431.17032	3.7
485.13754	0.8
577.18524	2.4
610.22845	0.9
660.25183	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	660.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.5
54.37481	0.3
55.01856	1.9
55.05232	0.7
55.05502	12.6
57.03423	2.5
57.06787	0.8
57.07065	12.5
59.04995	3.9
61.02909	0.9
67.01838	0.3
67.05497	5.7
68.04964	0.4
68.99771	0.5
69.03419	6.9
69.07054	100.0
69.37622	0.4
69.37948	3.4
70.06586	2.1
70.07391	1.3
71.04982	3.4
71.08633	0.5
72.08110	0.5
73.02904	1.3
79.05486	2.3
81.03407	6.2
81.07040	7.0
83.04977	1.4
83.08602	37.5
84.04475	1.0
84.08128	1.7
84.08938	0.6
85.02889	13.6
85.06532	1.3
86.09689	1.4
86.40205	0.4
87.00817	5.1
87.04448	1.2
87.72998	0.3
89.06011	32.6
91.05473	2.5
93.07039	2.6
95.01271	0.4
95.04952	1.4
95.08586	6.8
97.02877	4.6
97.06512	1.0
97.10152	1.7
97.58537	0.4
98.21474	0.6
99.04420	2.8
99.08076	2.1
101.02367	0.4
103.03907	0.5
103.07560	0.9
105.01839	3.8
105.07007	2.6
107.04905	0.7
107.07050	1.7
107.08556	1.9
109.02856	5.6
109.06479	0.6
109.10139	5.1
110.07118	0.5
111.04390	0.7
113.05997	0.5
113.09620	0.6
115.03917	0.6
117.01808	0.6
117.06983	0.6
119.04923	0.7
119.08562	2.8
120.08080	0.7
121.06488	0.8
121.10134	1.8
123.04414	0.8
123.08042	0.4
123.11661	2.9
124.07578	0.5
125.05973	1.1
125.09597	0.6
125.13242	9.0
126.05460	0.4
127.03885	7.8
128.97997	0.4
129.01790	0.9
129.05490	0.5
130.08626	1.8
131.06999	1.5
131.08553	1.3
133.06467	0.4
133.08577	12.3
133.10129	1.5
135.08076	0.5
135.11641	0.6
136.07555	0.6
137.02271	0.4
137.05959	1.2
137.09578	1.0
139.11203	0.5
141.01778	0.4
141.12726	1.2
143.14296	2.9
145.04977	2.1
145.06480	0.4
145.10104	1.7
146.05936	0.4
146.08060	0.5
146.53494	0.4
147.04410	0.8
147.08044	0.9
147.10098	0.5
147.11629	1.0
149.05981	0.8
149.09578	2.3
149.11703	0.4
151.07509	0.6
151.09624	1.0
151.11169	0.6
153.05418	0.7
155.14282	0.6
157.10129	0.8
159.02892	2.4
159.11652	0.8
161.05939	0.7
161.09584	1.3
161.15320	0.5
162.07532	1.8
163.07700	0.4
163.11162	0.8
165.09096	1.7
165.12726	0.5
165.16350	1.6
166.07207	0.5
167.06975	1.2
169.12189	0.5
173.09535	0.4
175.11087	0.4
177.05420	0.9
177.11189	21.1
177.76027	0.4
178.11531	0.4
181.04926	1.0
183.17395	3.0
187.11214	0.7
195.12254	17.9
201.18434	0.8
204.06596	0.5
209.08014	0.7
210.08379	0.4
213.01912	0.4
213.03813	0.6
227.19972	1.7
231.04892	1.1
233.08112	0.5
235.15361	8.0
239.14885	1.1
249.10115	0.4
253.16418	5.0
255.11308	0.5
257.19217	0.4
265.09601	0.9
267.11240	0.9
278.07031	0.5
279.07681	0.7
279.11252	0.9
283.10794	0.5
293.12622	0.5
295.10965	0.4
297.12311	0.5
311.10107	0.5
313.11722	1.2
316.05185	0.4
339.13379	2.3
341.11246	0.8
353.14734	0.6
366.12531	0.5
373.13849	1.6
377.28903	72.1
378.29233	3.2
395.29944	33.5
396.30222	1.6
399.15335	5.7
463.31635	0.6
538.21460	1.4
539.22345	0.5
597.24756	0.5
610.20483	0.8
629.22711	0.7
642.22345	0.5
660.26117	0.8
660.36292	1.3
661.27295	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	2.7
57.03417	2.4
57.07066	100.0
58.04214	8.0
58.07395	0.7
59.04991	34.5
60.04499	1.0
62.57520	0.7
67.05478	2.5
69.07050	4.1
71.04976	1.2
71.08620	69.3
71.13520	1.9
72.05764	9.4
72.08942	1.4
73.02905	5.5
73.05277	0.7
73.06169	1.1
73.06540	10.6
81.07023	2.0
82.07810	0.9
83.08611	3.1
83.19061	0.6
85.06503	0.8
85.10168	60.7
86.03639	0.9
86.07313	2.5
86.10513	0.9
87.04458	13.5
87.08085	4.6
88.05217	2.2
88.07642	0.9
88.16644	0.7
89.06016	17.0
90.01907	27.8
93.07001	1.1
95.08576	2.3
97.06493	1.0
97.10160	4.6
99.11724	9.8
100.08866	1.5
101.05968	3.2
101.09632	1.2
102.05545	0.8
102.06779	1.1
103.07551	7.7
105.06995	0.7
107.08594	0.7
109.10149	1.4
110.10891	1.2
111.11703	1.8
113.13242	2.6
115.07577	1.7
115.71443	0.6
116.08319	3.6
117.09114	12.9
121.08710	0.8
125.13226	0.7
130.08641	1.1
131.07010	1.8
131.10638	0.9
131.35619	0.6
133.08601	7.3
133.48196	0.7
135.10112	1.2
136.06158	9.1
141.16345	1.4
146.07962	0.7
147.10114	2.6
152.15598	2.0
155.17915	8.5
159.10117	1.1
161.11681	2.5
165.11284	1.1
175.13206	0.7
177.11183	2.5
178.07063	4.8
179.12733	3.0
180.12234	1.3
183.17397	3.0
193.14349	1.1
194.13858	1.7
199.20570	0.9
205.14355	1.2
208.15340	1.9
212.21281	2.0
213.22107	13.2
219.15919	0.7
222.09723	7.6
222.16948	4.6
223.15387	1.9
224.14958	1.0
228.20883	0.9
233.09497	0.8
237.16797	1.3
238.16452	0.9
241.15230	1.2
241.21622	1.8
252.18033	3.1
254.24660	1.2
255.16797	0.9
266.12222	2.4
266.19577	4.6
267.17978	2.1
270.25470	1.5
271.16342	1.1
271.26218	7.2
282.19006	1.4
285.17734	0.8
294.22772	0.8
296.20670	4.5
299.19434	0.7
312.20084	3.2
324.23877	3.4
340.23196	2.2
354.24710	1.1
370.24518	1.2
372.18561	4.8
372.59018	0.7
376.34088	2.6
382.27966	1.9
392.33893	0.8
420.36530	5.8
430.22745	1.7
439.35507	0.9
464.39230	2.1
480.39090	1.2
508.42020	13.5
509.41956	1.2
552.44397	1.9
568.43903	2.3
574.56683	0.8
659.46741	6.8
660.47046	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	659.4674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	6.1
57.03429	6.7
57.07067	100.0
58.04206	8.2
59.04992	66.7
67.05488	4.1
69.07061	4.8
71.05006	1.8
71.08620	98.0
72.05758	8.9
72.08936	1.6
73.02905	6.0
73.06548	10.2
74.06063	1.4
79.05463	1.6
81.07036	4.5
82.07852	1.6
83.08599	6.9
85.06547	1.6
85.10168	89.9
86.07316	2.0
86.72498	1.3
87.04453	13.7
87.08085	4.6
89.06010	15.0
90.01387	2.4
90.01905	33.4
90.02470	1.6
95.08604	3.3
97.10161	5.4
99.11715	10.4
101.06004	3.6
101.09620	6.6
102.05582	1.4
103.07573	7.3
107.07000	1.3
107.08573	3.6
109.10156	3.1
115.07534	3.8
116.08347	1.9
117.09114	21.4
119.08517	1.5
119.10683	1.7
129.09093	1.7
130.08669	1.5
133.08600	5.7
135.10130	1.7
136.06169	13.6
138.14029	3.7
141.16331	9.8
147.10123	3.1
161.11661	2.4
169.15874	3.1
175.13318	1.8
177.11200	3.0
178.07106	4.5
179.12784	1.8
193.14319	2.3
195.12152	1.4
198.19733	1.4
199.20547	20.4
205.14246	1.7
207.15962	1.6
217.72516	1.4
222.09729	9.9
222.16960	3.4
223.15393	1.9
227.20091	2.6
229.17645	1.6
238.16559	1.5
240.23235	3.9
250.20500	1.5
251.18539	3.5
252.18091	3.8
253.16579	1.3
257.24734	23.8
263.18393	1.5
268.17407	2.5
273.24252	2.5
281.19559	2.1
296.20972	1.9
310.22263	1.8
326.21741	1.6
328.16031	4.9
338.25278	4.3
354.24689	2.7
365.31296	2.2
386.19827	2.5
420.36847	7.8
444.24423	1.3
464.39191	1.7
508.42178	15.0
524.41022	2.6
568.43970	4.0
604.55316	1.4
646.23468	1.6
659.46576	8.4
660.46606	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	659.27
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69981	0.8
55.05492	2.0
55.24362	0.9
67.05490	2.6
69.03404	3.1
69.07048	2.9
69.66380	0.8
70.06589	4.3
71.04970	1.2
71.53235	1.1
72.08120	1.2
79.05460	3.1
80.04971	1.3
81.07050	3.8
83.04972	1.6
83.08591	2.0
84.08118	3.9
85.02876	3.2
85.06552	1.4
86.09698	0.9
89.06007	1.9
91.05466	4.7
93.07028	5.2
94.06554	4.4
95.04933	3.1
95.08571	3.8
97.02887	2.7
97.06501	0.9
105.05727	1.0
105.07006	3.7
106.06527	1.6
107.08558	2.5
108.04450	1.0
108.08096	2.8
109.10137	2.9
111.04438	1.7
117.06953	1.0
118.06489	1.0
119.08557	4.0
120.08060	1.7
121.06484	1.6
121.10105	2.6
122.06004	24.5
123.11639	1.1
130.08678	1.1
130.63811	0.9
133.10101	1.7
134.05978	2.3
135.07994	1.3
136.07524	1.6
137.05960	2.1
137.09592	1.5
144.04411	2.6
145.10083	1.8
146.05971	10.6
147.06818	1.3
147.07994	1.7
147.11620	1.0
148.07491	2.8
149.09692	1.0
152.06999	1.7
155.71655	0.8
157.10129	1.3
159.11694	1.0
160.07605	1.1
161.09641	1.6
162.05450	3.4
162.07678	1.6
163.03746	1.1
163.11078	1.4
164.07028	1.5
165.09088	11.2
167.07047	1.4
168.06529	10.6
172.03896	16.1
172.07643	1.3
173.04678	3.7
174.05461	9.6
176.07036	7.0
177.05424	1.3
179.06926	1.1
184.09904	1.4
186.09155	1.4
190.04944	2.0
191.05740	7.6
197.10808	1.2
199.08553	1.0
199.12254	3.3
204.06508	29.6
205.12199	1.2
206.08054	5.1
210.09213	2.2
210.11465	1.1
211.08708	2.6
211.12325	1.0
212.09303	2.2
213.10220	2.1
215.11804	1.0
223.08536	1.3
225.10132	6.2
226.10719	1.1
227.08125	1.4
227.11726	21.0
231.89098	0.9
235.12286	1.0
237.10097	4.1
238.11003	2.0
239.11760	6.0
240.12436	1.3
241.09682	2.8
241.13148	2.0
249.10162	3.5
251.08142	1.2
251.11757	4.2
252.08606	1.1
253.09645	3.7
253.13324	1.4
255.07660	1.4
255.11377	1.6
263.08383	0.9
263.11728	2.2
264.12579	1.1
265.09644	2.7
265.13058	0.9
267.11227	4.7
269.09891	1.3
269.12817	16.4
271.10733	3.4
277.09695	2.5
278.10425	0.9
279.11246	3.5
281.08936	1.4
281.12677	1.9
281.56284	1.0
283.10654	9.8
284.11575	5.0
285.12228	3.6
287.13837	41.2
288.14337	2.2
289.11896	0.9
295.10849	2.9
296.11362	1.2
297.12305	3.7
301.12088	3.8
302.12778	1.5
309.12183	1.9
312.15280	1.1
313.11652	7.7
313.15274	1.0
314.12848	1.7
315.05127	1.4
315.13412	6.1
316.14331	6.7
317.15271	1.3
323.10260	1.5
327.14236	1.3
328.14417	2.7
329.11566	2.3
329.15295	2.5
330.12320	2.9
330.15973	7.3
331.16736	9.0
332.17532	1.8
341.07047	1.6
341.11273	25.5
341.15509	1.6
342.12311	5.6
342.15750	1.0
343.13086	4.1
343.16937	1.0
344.13647	2.5
344.17505	5.6
352.14224	1.2
354.16217	1.3
355.13562	1.9
356.13925	4.9
357.10526	1.0
357.14297	4.4
358.15421	8.9
359.12335	12.4
368.13733	1.0
368.17816	1.1
369.10971	1.6
370.11667	2.1
370.15527	3.6
371.12289	1.0
371.66794	0.9
372.17035	4.9
373.13843	9.0
374.14590	1.5
380.13980	1.4
382.11783	2.7
382.15833	1.4
383.12103	5.0
384.13229	13.3
384.17560	1.3
385.14313	4.8
386.14609	5.2
386.18781	2.4
388.16388	3.0
390.18097	6.4
394.15463	1.0
396.17163	1.3
397.14828	1.6
398.14954	15.6
399.15717	21.8
400.16486	31.4
401.16934	1.2
402.14319	3.3
412.16415	1.7
414.18137	6.5
415.18784	1.7
416.15976	2.7
417.16647	8.6
418.17575	9.8
430.17493	3.5
431.18027	1.7
440.15933	3.9
441.16974	2.0
458.17026	39.3
459.17731	22.7
460.18173	4.3
490.19916	7.3
491.20621	4.5
497.21536	1.4
536.19867	1.2
583.24933	1.8
585.23590	5.2
599.24750	3.1
609.23322	9.8
627.24377	100.0
628.24561	6.5
641.25739	4.4
642.23566	1.1
659.26752	18.4
660.25189	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.5084
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13403	0.5
55.05505	2.2
57.03424	1.5
57.07063	100.0
58.07388	0.6
59.04988	43.0
66.20360	0.6
69.07054	1.9
71.08617	94.3
72.08942	0.6
72.15526	0.5
73.06543	1.2
75.59888	0.6
81.07059	1.2
83.08598	3.6
85.10165	93.7
86.10479	0.9
87.04449	5.5
87.08079	0.6
89.06013	50.2
95.08585	0.6
97.10148	2.1
98.21597	1.0
99.08051	0.5
99.11703	10.5
101.06002	1.9
101.09644	4.8
103.07563	2.1
107.07063	1.1
110.59132	0.5
111.11616	0.6
117.09102	14.5
125.13287	0.6
129.09167	0.5
130.08604	1.5
131.04926	0.7
131.07030	2.2
131.10612	0.6
133.08575	39.4
141.15240	0.8
141.16339	14.0
147.10129	0.9
161.11621	0.7
175.09641	1.5
177.11191	15.1
181.19417	0.7
191.12715	1.0
199.20529	32.6
216.13649	0.9
219.12128	0.8
221.13770	5.5
239.14856	2.2
240.23064	3.1
256.21371	0.5
257.24698	39.6
258.25067	0.8
265.16376	0.8
283.17422	1.8
304.35660	0.6
309.18839	1.7
314.81863	0.5
315.28812	1.2
327.20053	19.9
367.23254	3.0
385.24265	5.9
387.98254	0.6
425.27249	2.2
443.28244	0.7
459.27417	1.6
641.47565	1.4
658.51001	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	658.5085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61198	0.4
53.74062	0.5
55.05507	1.5
57.03438	0.6
57.07065	100.0
58.07412	0.6
59.04990	21.8
65.70043	0.4
69.07060	2.1
70.78259	0.9
71.08617	71.9
72.08946	0.6
73.06541	0.9
73.08012	0.4
83.08610	1.7
85.06574	0.4
85.10167	63.3
87.04447	6.9
88.85745	0.4
89.06017	55.9
97.10150	2.5
99.11717	13.8
101.05973	0.7
101.09647	1.7
103.07537	0.8
107.07043	1.5
111.09495	0.5
113.13266	6.3
117.09102	5.7
117.90126	0.6
130.08612	0.9
131.07007	2.8
131.10652	0.8
133.08580	46.3
147.10115	0.9
155.17915	11.5
163.10950	0.5
175.09644	3.4
177.11192	20.5
191.12704	0.9
213.22101	24.3
219.12167	1.3
221.13748	4.2
235.15318	0.5
239.14789	1.3
254.24742	1.3
265.16385	1.5
271.26282	10.2
283.17548	2.6
309.18973	1.1
327.20206	2.4
353.21469	2.0
371.22687	18.3
411.25888	3.6
429.26865	3.9
469.29663	1.6
581.49731	0.6
641.47644	1.7
658.50964	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	659.2332
Annotation	Xyloccensin T
Peak:m/z	Relative Intensity
55.05494	0.8
60.62946	0.5
67.05496	1.6
69.07017	1.0
70.06568	0.6
71.55170	1.0
73.02906	0.6
75.35987	0.6
79.05491	0.7
79.36045	0.6
80.74951	0.5
81.07050	2.3
83.04957	1.0
84.08113	1.0
87.04456	0.8
89.06043	1.0
91.05479	1.3
93.07047	1.2
95.08609	0.7
105.06992	0.9
107.08581	0.8
109.06534	0.7
121.10096	0.8
130.08601	2.7
131.42372	0.6
133.10115	0.8
135.11725	0.6
147.11610	0.6
149.25462	0.6
181.34091	0.5
189.09320	0.6
199.12346	0.6
213.18500	1.0
275.19928	1.0
300.25235	0.6
349.23669	0.7
385.13336	0.6
399.14337	2.2
400.15524	3.5
401.15860	0.8
409.12997	1.2
411.14731	0.7
412.15628	0.9
413.16013	1.8
414.16843	2.9
415.16061	0.7
421.13040	1.8
422.13803	5.6
423.14600	3.6
424.15747	1.5
428.18591	1.3
429.18924	2.1
435.14526	2.7
436.15237	4.9
437.16147	8.4
438.16833	1.9
439.17966	0.9
449.16199	1.4
450.16870	2.5
451.18420	4.2
452.18365	2.2
453.15698	1.1
455.17706	1.5
456.17609	1.7
457.17957	0.9
462.17221	0.6
463.14044	1.6
464.14963	2.2
465.15475	3.4
465.20264	1.6
466.15921	0.9
466.20923	1.0
467.17435	2.2
469.15125	1.8
470.15137	0.9
477.15848	1.3
478.16574	2.4
479.17221	2.4
480.18069	3.2
481.14615	1.6
482.15588	1.8
483.16422	3.2
484.16599	3.8
492.18051	0.9
493.18658	7.5
494.14813	1.1
494.20584	1.2
495.16470	5.4
496.17496	1.8
497.15393	1.0
498.14954	3.0
506.15982	1.5
507.16995	2.0
508.17545	6.4
509.18283	4.5
511.20078	1.7
512.16431	8.9
513.17365	1.6
516.23724	1.0
521.18201	12.0
522.15833	3.8
523.19238	1.0
524.16949	0.7
525.21460	0.6
526.14191	1.1
538.18085	0.9
539.19318	1.8
540.19879	3.5
543.22278	1.7
549.17987	1.4
553.20923	12.3
562.20874	0.8
571.21783	2.7
572.22131	5.8
581.20197	39.3
582.20691	1.8
599.20972	20.7
600.21478	5.8
609.19391	0.9
613.22742	11.3
622.22681	5.7
631.23865	3.1
641.22327	100.0
642.22595	4.1
659.23315	26.9
659.33759	1.8
660.22839	1.0
679.69757	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.4723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	3.2
57.03412	1.3
57.07065	100.0
58.07395	1.1
59.04992	23.8
59.30680	1.0
67.05483	4.4
68.38451	1.2
69.07042	5.3
71.08617	78.1
71.53489	1.5
73.02900	15.0
73.06542	3.0
77.06013	1.0
79.05459	1.4
79.53171	0.9
81.07040	4.6
83.04940	1.7
83.08601	4.8
85.10168	66.7
87.04456	18.3
87.32612	0.9
89.06017	51.3
91.05440	2.5
93.07003	3.2
95.04903	1.9
95.08572	3.9
97.10148	2.9
99.11722	11.4
101.06002	1.2
103.03925	72.4
103.07555	6.5
105.07006	1.7
107.07041	3.4
107.08555	1.3
109.10134	1.3
111.11649	1.3
113.13257	3.6
117.09116	4.1
119.07025	1.2
119.08529	1.7
121.08625	1.6
121.10107	1.5
127.14790	1.2
130.08635	5.6
131.07034	6.9
131.10664	1.6
133.08580	43.4
135.11665	1.5
138.90601	1.1
141.16336	1.5
147.06482	12.6
147.10147	1.4
147.11673	1.0
153.16469	1.0
155.17888	6.4
163.09627	3.1
175.09662	3.1
177.11195	18.0
185.18973	2.5
191.09129	12.0
199.20547	2.2
205.10724	2.3
207.12267	5.4
213.22107	10.3
219.06459	1.1
219.12213	1.4
221.13797	2.9
235.11716	9.1
239.14983	2.6
243.23151	1.8
257.24686	5.7
269.15836	1.5
275.20062	1.1
275.47229	1.1
279.14355	3.8
283.17468	2.3
295.17551	1.1
297.15500	1.2
317.55072	1.1
323.17267	1.9
327.20078	2.8
341.17859	1.8
367.19467	1.6
371.22546	3.5
383.22778	2.3
385.20847	1.3
411.22153	3.4
426.48264	1.3
429.23297	14.2
517.38940	5.7
560.77710	1.0
623.42834	1.1
641.45001	1.9
657.28394	1.1
658.29535	2.3
658.47064	15.7
659.46198	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02355	0.2
53.03922	0.4
55.01848	0.8
55.05484	0.5
56.05009	0.2
57.03399	0.2
65.03924	0.6
66.04685	0.2
67.05468	0.5
69.03403	0.7
69.07038	0.6
70.06586	1.5
71.04965	0.6
71.54444	0.3
72.08138	0.3
73.02885	0.3
74.06078	0.2
79.05491	1.0
81.03400	6.0
81.07027	0.9
83.04462	0.1
83.04956	0.6
83.08587	0.2
84.04482	0.3
84.08116	1.3
85.02879	1.0
85.06557	0.2
86.09684	0.8
88.03987	0.2
91.05465	3.2
93.07026	1.0
94.04174	1.3
94.06546	0.2
95.04945	0.9
95.08595	0.7
97.02862	0.5
97.06531	0.2
97.69326	0.2
99.04456	0.2
103.05472	1.0
105.01850	0.3
105.03368	0.3
105.04531	0.1
105.07007	2.7
107.04917	0.8
107.08566	0.8
109.02857	0.6
109.06487	0.7
109.10126	0.7
110.07191	0.3
111.04390	0.4
111.08037	0.2
115.05441	1.2
117.06988	0.7
118.04179	0.2
119.04922	3.9
119.08567	0.8
120.08112	0.2
121.02820	0.3
121.06472	0.7
121.10149	0.4
122.03619	2.7
122.06005	0.6
123.04388	0.6
123.08063	0.2
123.11588	0.3
124.03901	0.2
125.05994	0.3
126.09138	0.5
127.03899	0.4
128.06166	0.3
129.06955	1.3
129.10162	0.4
129.23186	0.2
130.04120	0.5
130.08636	0.8
131.04926	1.2
131.08553	0.5
133.02875	0.2
133.06480	2.1
133.10092	0.4
135.04367	0.3
135.08032	0.3
136.07494	0.2
137.05948	100.0
138.06282	1.8
138.09097	0.2
140.07034	0.9
143.04901	0.6
143.08539	0.2
145.02827	0.2
145.06477	1.2
145.10103	0.4
146.05959	0.3
146.08098	0.4
147.04375	3.7
147.08011	0.6
147.11647	0.2
149.00574	0.4
149.05954	0.5
149.09578	0.3
150.06738	0.2
151.03871	4.7
151.07504	1.9
151.11079	0.3
153.01814	1.0
153.05472	0.3
153.09142	0.2
154.08607	0.4
157.06448	1.6
158.07272	0.2
159.08047	0.2
159.09254	0.2
160.05161	0.9
161.05959	5.6
161.09557	0.4
162.06717	2.0
163.07533	0.8
163.11153	0.2
165.05435	0.4
165.09094	0.7
166.08540	0.2
167.07008	2.0
168.07338	0.5
172.03926	0.6
173.06003	0.2
174.05411	0.2
174.06737	0.3
175.07513	8.7
176.04565	0.1
177.05455	0.7
177.09076	0.3
178.00768	0.2
179.07005	2.2
181.04958	0.2
181.06529	0.2
181.08492	0.2
185.05949	0.5
187.07515	2.2
188.08241	0.2
189.09038	2.5
191.07001	0.6
193.03137	1.6
193.04739	0.3
193.08592	0.4
199.07466	0.9
203.06964	0.3
204.06462	1.0
205.08551	15.8
205.19518	0.2
206.08383	0.3
207.06377	0.3
207.08107	0.3
208.09679	0.4
209.08011	0.5
209.09828	0.3
211.07478	0.4
217.08562	3.4
219.10126	0.3
221.07961	0.2
229.08586	0.5
233.07912	0.2
235.07333	0.2
235.09589	4.5
237.05243	0.2
237.10130	0.2
250.10637	0.4
251.07040	0.2
251.10962	0.2
252.07603	0.2
252.11188	0.2
265.09161	0.3
267.10269	0.6
275.06766	0.2
278.10306	0.2
279.11041	0.2
282.08087	0.3
283.09814	0.3
285.03836	0.2
285.11179	0.3
287.10300	0.6
291.10287	0.2
295.09760	0.2
297.07849	0.2
297.11279	0.2
299.12674	0.8
303.05060	0.2
304.05435	0.2
305.11804	0.2
306.09604	0.2
309.12106	0.5
313.03287	1.6
313.11496	0.3
314.03693	2.0
321.11148	0.3
321.24442	0.3
323.12650	0.5
325.10999	0.3
327.12161	0.4
329.13873	0.3
335.12741	0.5
339.25436	0.2
340.17233	0.2
341.13776	0.3
345.14297	0.2
347.12625	0.4
357.13321	0.9
361.16269	0.3
365.13785	0.5
375.14389	0.6
387.07208	0.5
388.07443	0.7
399.14804	0.2
462.09003	0.4
471.18246	0.2
480.10056	0.2
485.15741	0.3
487.17383	1.8
488.17761	0.2
489.18512	0.3
507.19946	0.4
511.12653	0.2
512.12585	1.3
519.20050	1.1
608.22668	0.9
626.23749	0.5
658.23724	0.3
659.21173	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02355	0.2
53.03922	0.4
55.01848	0.8
55.05484	0.5
56.05009	0.2
57.03399	0.2
65.03924	0.6
66.04685	0.2
67.05468	0.5
69.03403	0.7
69.07038	0.6
70.06586	1.5
71.04965	0.6
71.54444	0.3
72.08138	0.3
73.02885	0.3
74.06078	0.2
79.05491	1.0
81.03400	6.0
81.07027	0.9
83.04462	0.1
83.04956	0.6
83.08587	0.2
84.04482	0.3
84.08116	1.3
85.02879	1.0
85.06557	0.2
86.09684	0.8
88.03987	0.2
91.05465	3.2
93.07026	1.0
94.04174	1.3
94.06546	0.2
95.04945	0.9
95.08595	0.7
97.02862	0.5
97.06531	0.2
97.69326	0.2
99.04456	0.2
103.05472	1.0
105.01850	0.3
105.03368	0.3
105.04531	0.1
105.07007	2.7
107.04917	0.8
107.08566	0.8
109.02857	0.6
109.06487	0.7
109.10126	0.7
110.07191	0.3
111.04390	0.4
111.08037	0.2
115.05441	1.2
117.06988	0.7
118.04179	0.2
119.04922	3.9
119.08567	0.8
120.08112	0.2
121.02820	0.3
121.06472	0.7
121.10149	0.4
122.03619	2.7
122.06005	0.6
123.04388	0.6
123.08063	0.2
123.11588	0.3
124.03901	0.2
125.05994	0.3
126.09138	0.5
127.03899	0.4
128.06166	0.3
129.06955	1.3
129.10162	0.4
129.23186	0.2
130.04120	0.5
130.08636	0.8
131.04926	1.2
131.08553	0.5
133.02875	0.2
133.06480	2.1
133.10092	0.4
135.04367	0.3
135.08032	0.3
136.07494	0.2
137.05948	100.0
138.06282	1.8
138.09097	0.2
140.07034	0.9
143.04901	0.6
143.08539	0.2
145.02827	0.2
145.06477	1.2
145.10103	0.4
146.05959	0.3
146.08098	0.4
147.04375	3.7
147.08011	0.6
147.11647	0.2
149.00574	0.4
149.05954	0.5
149.09578	0.3
150.06738	0.2
151.03871	4.7
151.07504	1.9
151.11079	0.3
153.01814	1.0
153.05472	0.3
153.09142	0.2
154.08607	0.4
157.06448	1.6
158.07272	0.2
159.08047	0.2
159.09254	0.2
160.05161	0.9
161.05959	5.6
161.09557	0.4
162.06717	2.0
163.07533	0.8
163.11153	0.2
165.05435	0.4
165.09094	0.7
166.08540	0.2
167.07008	2.0
168.07338	0.5
172.03926	0.6
173.06003	0.2
174.05411	0.2
174.06737	0.3
175.07513	8.7
176.04565	0.1
177.05455	0.7
177.09076	0.3
178.00768	0.2
179.07005	2.2
181.04958	0.2
181.06529	0.2
181.08492	0.2
185.05949	0.5
187.07515	2.2
188.08241	0.2
189.09038	2.5
191.07001	0.6
193.03137	1.6
193.04739	0.3
193.08592	0.4
199.07466	0.9
203.06964	0.3
204.06462	1.0
205.08551	15.8
205.19518	0.2
206.08383	0.3
207.06377	0.3
207.08107	0.3
208.09679	0.4
209.08011	0.5
209.09828	0.3
211.07478	0.4
217.08562	3.4
219.10126	0.3
221.07961	0.2
229.08586	0.5
233.07912	0.2
235.07333	0.2
235.09589	4.5
237.05243	0.2
237.10130	0.2
250.10637	0.4
251.07040	0.2
251.10962	0.2
252.07603	0.2
252.11188	0.2
265.09161	0.3
267.10269	0.6
275.06766	0.2
278.10306	0.2
279.11041	0.2
282.08087	0.3
283.09814	0.3
285.03836	0.2
285.11179	0.3
287.10300	0.6
291.10287	0.2
295.09760	0.2
297.07849	0.2
297.11279	0.2
299.12674	0.8
303.05060	0.2
304.05435	0.2
305.11804	0.2
306.09604	0.2
309.12106	0.5
313.03287	1.6
313.11496	0.3
314.03693	2.0
321.11148	0.3
321.24442	0.3
323.12650	0.5
325.10999	0.3
327.12161	0.4
329.13873	0.3
335.12741	0.5
339.25436	0.2
340.17233	0.2
341.13776	0.3
345.14297	0.2
347.12625	0.4
357.13321	0.9
361.16269	0.3
365.13785	0.5
375.14389	0.6
387.07208	0.5
388.07443	0.7
399.14804	0.2
462.09003	0.4
471.18246	0.2
480.10056	0.2
485.15741	0.3
487.17383	1.8
488.17761	0.2
489.18512	0.3
507.19946	0.4
511.12653	0.2
512.12585	1.3
519.20050	1.1
608.22668	0.9
626.23749	0.5
658.23724	0.3
659.21173	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07067	4.6
59.04990	3.7
69.31464	5.3
71.08626	4.8
74.74069	0.5
76.44469	0.5
81.07033	0.6
81.66133	0.5
85.10178	5.4
86.10513	0.6
89.06023	1.4
91.05521	0.5
93.95229	0.6
95.08559	0.9
99.11678	0.6
100.85292	0.6
106.17017	0.4
109.38483	0.5
109.39408	0.5
110.52857	0.5
114.55343	0.5
117.09089	1.3
118.06542	0.5
130.08658	1.1
132.08083	1.2
133.08597	0.9
135.11586	0.6
144.08040	0.7
146.09625	0.8
158.00053	0.5
158.09656	0.7
160.07611	0.7
168.72638	0.5
183.09209	0.8
199.20715	0.9
202.85478	0.5
204.13889	0.7
209.07256	0.6
209.10728	1.0
211.12369	0.5
219.09412	0.6
221.10713	1.2
222.11488	0.6
223.12352	1.2
233.10849	0.7
234.11722	0.7
235.12262	0.8
237.13751	0.6
238.68706	0.5
247.12343	1.1
248.13097	0.8
249.13940	1.2
257.24796	0.7
259.12360	0.7
260.12979	0.8
261.13852	1.4
273.13870	2.3
275.15314	1.1
287.15265	0.6
288.11334	0.7
288.16003	1.1
294.13638	0.6
295.28201	0.6
310.13611	0.6
313.15613	0.8
314.13162	0.7
314.16608	0.6
316.14240	0.9
316.17786	0.5
317.15109	0.6
318.16061	1.1
332.17590	0.7
337.15491	0.6
338.16357	1.0
339.17368	0.8
340.18170	0.9
349.15234	0.7
350.16458	0.7
351.16498	1.1
352.18018	0.9
353.18646	0.6
354.19675	0.9
360.14130	0.7
362.16153	1.2
363.16281	1.1
364.17349	1.1
365.18057	1.8
368.17352	0.9
376.17734	1.5
377.18073	2.6
378.19348	1.6
379.19373	3.5
380.20306	0.9
381.20895	0.9
389.18091	1.3
390.19022	1.2
391.19598	3.2
392.20615	2.8
393.16846	1.7
393.21243	3.0
394.17767	1.0
394.22375	0.6
395.22662	1.3
404.16531	0.7
405.20749	2.4
406.21863	1.7
407.17691	2.7
407.22424	2.7
408.19135	3.0
409.20212	4.5
410.19125	0.5
414.21918	0.7
415.15198	0.9
417.16711	1.0
419.18127	1.2
419.22964	1.2
420.19281	1.6
421.19696	5.2
421.24823	1.1
422.20941	3.7
423.21786	15.4
424.22601	2.7
431.18866	2.0
433.20255	2.1
434.21066	2.4
435.22092	6.5
436.23074	3.1
437.23849	4.2
446.20947	1.9
447.21759	2.1
449.24399	3.4
450.23914	1.9
451.20422	4.5
452.21820	1.8
453.22937	1.0
454.19681	4.7
456.22815	1.5
460.22580	0.7
461.23810	5.2
462.20978	1.8
463.21207	2.8
464.22083	2.3
465.23361	3.8
466.23465	1.6
467.25320	3.3
468.25333	2.7
469.26031	0.7
475.21332	0.7
476.22003	1.5
477.23126	4.9
478.24017	2.9
479.25024	6.2
480.21716	1.1
481.22485	2.5
482.22604	0.9
483.23721	1.0
491.20645	1.2
493.21515	6.4
494.26950	4.3
495.23495	10.9
496.24734	4.7
497.25275	0.9
505.22507	1.1
507.24152	1.7
508.24713	11.2
509.25714	11.0
510.26355	11.1
511.27133	11.6
512.27185	1.4
516.24866	1.3
519.23859	2.0
521.25580	4.5
522.26569	2.8
523.23071	4.4
524.23810	0.8
525.28088	1.2
526.29279	1.6
537.24939	12.9
538.25751	8.0
539.26294	1.1
549.24780	2.0
551.22827	2.1
553.28314	6.9
555.26007	1.5
565.24188	4.0
566.25140	1.4
569.24664	0.6
570.28577	3.2
581.27570	17.3
582.27686	2.5
583.25250	4.6
595.28967	0.7
597.27051	37.8
598.27441	7.5
607.25439	1.1
613.30133	71.7
614.30450	7.5
625.26483	100.0
626.26709	12.0
627.54303	0.7
657.29108	11.2
658.29590	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07066	19.7
58.07383	1.1
59.04987	11.8
69.07056	1.2
69.34966	6.4
71.08620	17.4
72.08966	1.2
81.07047	0.9
84.08144	1.2
85.10168	16.6
86.10511	1.3
87.04449	1.3
89.06021	2.5
93.07005	0.9
95.08594	0.8
99.11713	2.3
101.09660	1.2
105.07047	0.9
107.08587	0.6
109.10139	1.3
117.09123	3.9
130.08640	1.9
133.08604	2.0
141.16325	2.4
172.48557	0.6
179.95715	0.7
191.12769	0.9
197.08186	1.2
199.20543	4.5
200.21024	0.8
209.10782	1.0
211.12201	0.7
213.10268	0.9
221.10655	1.0
223.12163	1.5
229.13383	0.9
235.12372	1.0
236.73407	0.6
237.13741	1.5
247.12332	1.4
249.13870	1.6
251.15550	1.1
257.24640	7.5
258.25085	2.2
261.13971	2.0
273.14124	1.1
274.13504	1.2
276.15094	0.7
281.09991	0.8
287.15356	0.9
288.16003	1.3
310.13272	0.8
313.15491	0.9
326.16483	0.9
338.16589	1.1
340.18231	1.1
350.16202	1.3
352.17926	1.9
355.20694	0.8
363.16449	1.0
364.18069	1.0
365.17709	2.1
366.19003	0.7
375.16473	1.1
377.17786	2.6
378.19119	1.6
379.19281	4.3
380.20554	0.9
381.20688	1.1
389.17523	1.0
390.19421	1.0
391.19556	3.5
392.20483	1.8
393.16937	2.0
393.20923	2.7
395.22552	0.9
403.19238	1.4
405.16644	1.2
405.21542	1.3
406.22223	1.0
407.18170	1.9
407.22336	3.0
408.19293	2.8
409.20117	5.4
417.17078	1.1
418.18576	1.0
419.23099	0.9
421.19504	4.2
421.24368	2.2
422.20850	3.1
423.16708	1.2
423.21829	16.0
424.22556	2.0
429.20474	0.8
431.18686	0.9
432.19534	0.9
433.20392	2.0
434.21619	1.2
435.22018	6.7
436.22769	4.3
437.23947	3.7
438.21408	0.9
440.23499	0.9
442.21329	1.2
446.20700	1.3
447.21625	2.9
448.19513	0.9
449.24228	3.7
450.20816	1.3
451.20926	4.8
452.21948	0.9
453.22620	1.5
454.20139	2.9
455.25009	0.8
461.23413	6.8
462.20322	1.5
463.21252	3.5
464.21915	1.6
465.23285	3.6
466.23373	1.3
467.24423	3.1
468.24985	2.8
476.21866	1.2
477.23090	4.7
478.24478	3.2
479.25095	5.1
480.22025	1.2
481.22296	3.4
491.20728	0.9
492.21271	0.9
493.21170	5.2
493.26819	1.0
494.27710	3.9
495.23572	10.1
496.24384	3.9
505.22617	1.0
507.23798	2.4
508.24719	14.7
509.25571	12.0
510.26273	12.5
511.27097	11.9
512.26727	0.9
519.24292	1.2
521.25745	4.1
522.25946	2.3
523.23120	5.3
525.28583	2.6
526.28583	1.1
537.24951	14.6
538.25433	7.6
549.24957	1.6
551.22961	1.0
553.28589	7.7
555.25818	1.9
565.24261	3.1
570.28162	3.2
581.27551	15.1
582.27441	1.2
583.25256	4.5
584.25366	0.9
595.28973	1.2
596.27551	1.2
597.27026	40.1
598.27734	6.2
607.25281	1.9
613.30090	61.7
614.30872	4.7
625.26422	100.0
626.26697	8.5
657.28888	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	656.5294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	0.6
55.05506	2.1
57.03438	2.7
57.07066	100.0
58.71541	0.5
59.04991	40.4
67.05489	1.0
69.07058	2.1
71.03229	1.2
71.08621	73.6
79.05466	0.5
81.07044	1.2
83.08611	3.3
84.08132	1.4
85.10169	63.6
86.10465	0.6
87.04450	1.6
89.05475	0.8
89.06018	16.5
93.07011	0.7
95.08591	0.8
97.06535	0.5
97.10167	3.9
99.08086	0.6
99.11723	13.2
101.05986	0.7
101.09655	4.1
103.07520	1.2
107.07048	0.6
107.08497	0.5
109.10144	0.9
111.11684	0.9
113.13264	4.3
115.07542	1.1
117.09113	14.3
119.08543	0.9
125.13216	0.5
130.08595	2.9
131.08444	0.5
133.08604	6.2
147.10097	2.2
147.11639	0.5
155.16734	0.9
155.17918	10.7
155.55080	0.5
158.11722	1.6
159.13782	0.8
175.09644	0.9
175.13191	2.1
177.11192	4.6
195.12267	3.5
213.22093	22.4
214.22296	0.5
233.17287	0.6
235.15269	1.8
253.16403	3.9
254.24821	2.2
271.26279	29.8
272.26553	0.5
293.19641	1.2
311.20557	2.8
329.30432	2.7
369.24542	1.4
545.37915	0.6
623.30377	0.5
639.49835	1.0
656.53149	4.5
657.52411	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.5
55.05496	2.5
57.07069	3.7
59.04977	0.5
65.35597	0.3
67.05482	0.9
67.28880	0.3
69.07066	0.5
69.28883	3.2
70.63525	0.3
71.04966	0.6
71.08611	1.0
81.07040	1.1
83.04962	12.8
83.08606	0.5
85.10178	0.5
86.49421	0.3
91.05463	1.2
93.07033	0.8
95.04946	0.5
95.08595	0.9
98.98444	0.7
105.07043	0.7
107.08600	0.4
109.10139	0.8
119.08558	0.7
128.06248	0.6
129.06979	1.3
130.08583	0.5
133.10077	0.7
135.11667	0.4
141.06981	0.6
143.66722	0.3
147.08032	1.1
147.11623	1.5
159.08142	0.3
161.13174	0.4
166.24973	0.3
169.07649	0.4
175.01515	5.7
181.02567	8.9
199.03664	0.8
220.88443	0.4
227.04596	3.7
231.07738	0.5
239.04716	0.7
257.05658	1.5
283.10965	0.9
290.98309	0.4
313.11893	6.3
314.12402	0.4
331.13135	0.4
369.18210	2.5
463.26581	1.3
487.13010	0.5
543.19019	6.1
544.19238	0.3
599.25134	11.8
600.25684	1.3
606.28320	0.4
623.27979	0.7
655.31573	7.8
655.41577	100.0
656.31128	1.2
656.41821	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	656.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03170	0.9
53.03926	1.6
54.30088	0.6
55.01870	3.3
55.05500	15.2
57.03411	1.9
59.04982	1.0
61.02893	1.8
67.05491	16.2
69.03401	2.4
69.07061	4.6
71.04950	1.4
71.53674	0.9
79.05478	13.2
81.03391	1.4
81.07040	10.5
83.04958	2.5
83.08141	0.9
83.08604	10.8
84.08138	0.7
85.02894	3.7
91.03931	0.7
91.05460	13.7
93.07021	8.8
95.04943	1.4
95.08593	5.8
97.02870	1.6
97.06509	1.2
97.09533	1.2
97.10151	19.0
99.08079	0.7
101.14056	0.6
103.05444	6.7
105.07016	10.7
107.04929	2.2
107.08573	9.5
109.02879	0.7
109.06474	1.4
109.10120	3.9
111.08072	1.4
111.72010	0.5
115.05416	2.8
117.06995	23.5
119.08558	7.7
121.06480	2.1
121.10123	3.3
123.08066	1.1
123.11742	0.6
125.08750	1.1
125.09612	15.0
127.03925	0.7
128.06183	1.3
129.06990	8.4
131.04913	1.0
131.08543	14.4
133.06451	4.1
133.10081	2.7
135.08044	4.5
135.11685	0.7
137.09616	0.9
141.06964	3.9
143.08525	5.1
143.10677	1.0
145.06445	5.0
145.10083	5.1
147.08008	2.2
147.11678	1.0
149.09567	2.4
153.06956	1.0
153.09047	2.6
155.08534	6.5
157.06456	2.4
157.10083	2.7
159.07991	2.4
159.11681	2.2
167.08525	2.2
169.10110	4.7
171.08015	2.0
171.10265	1.3
171.11671	3.1
173.09566	1.2
173.13217	2.0
175.11140	0.8
179.08546	1.2
181.10098	1.2
182.10811	0.6
183.07973	0.7
183.11684	1.2
185.13235	1.1
187.14755	5.7
189.11176	10.2
189.12700	1.0
191.08646	0.8
195.11670	2.4
195.13487	0.5
197.09732	0.7
197.13242	7.6
199.11142	1.6
209.13335	0.9
211.11285	0.7
211.14735	0.7
213.12691	2.4
215.14275	24.2
216.14655	0.9
221.13217	0.6
223.11176	1.0
225.12766	0.8
227.12714	14.7
231.13770	1.0
233.13112	0.6
233.15292	1.8
237.12627	1.1
239.14206	0.7
241.12112	1.1
241.15848	0.9
245.13744	1.2
251.14227	1.3
257.15268	0.7
269.15381	1.2
271.16901	2.1
321.21994	0.6
331.20572	0.7
339.23022	2.0
349.21613	4.5
367.22595	7.9
385.23666	6.5
403.24637	2.4
441.26294	47.9
442.26758	1.6
444.85339	0.7
459.27322	100.0
460.28021	3.6
472.82016	0.6
477.28369	12.9
618.59076	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07061	0.3
60.36359	0.2
66.45650	0.2
67.05495	0.4
69.55597	1.0
69.56013	0.8
75.04459	0.4
75.71423	0.2
81.07055	0.4
89.06013	0.3
95.08591	0.3
98.20731	0.3
98.72552	0.3
112.19083	0.2
119.08646	0.3
130.08618	0.5
137.05968	0.9
159.08095	0.3
179.10612	0.2
197.11737	0.3
198.11909	0.3
377.17560	0.3
379.19452	0.4
391.19235	1.1
392.19974	0.6
393.20621	0.5
404.20132	0.5
405.16907	0.9
405.20944	0.8
406.17416	0.5
406.22079	0.4
407.17719	0.3
407.22314	3.3
408.23312	0.5
418.17563	0.5
419.18002	2.3
419.23209	0.5
420.19330	1.1
421.20126	1.1
433.20419	4.9
434.15964	0.3
434.21036	4.0
435.21707	7.5
436.22247	0.7
446.21075	0.6
447.17636	1.0
447.21909	1.7
448.18787	1.2
448.23730	0.4
449.19052	1.4
461.19370	1.3
461.23920	1.1
462.20361	5.0
463.21039	4.3
463.26514	0.4
475.21271	1.1
476.21802	1.2
477.22955	1.7
478.23590	0.7
479.19644	0.4
479.25201	0.5
489.22830	1.3
490.23660	0.5
493.21771	0.4
494.22842	0.5
495.23819	0.9
507.23553	1.1
508.24493	2.0
509.25262	2.0
521.25641	11.0
522.25964	0.9
535.24683	0.3
540.27148	0.3
547.27362	0.3
549.24927	16.1
550.25220	1.1
551.25818	0.3
553.24518	0.8
563.26593	3.2
564.27106	1.1
565.27362	0.3
577.24237	0.5
580.25470	0.4
581.27478	3.6
595.29175	11.6
596.28925	0.7
607.28674	0.4
609.26929	11.0
610.27484	0.9
623.28070	1.6
627.31299	0.4
655.31097	100.0
656.31488	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	655.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.6
55.05503	3.8
57.03429	3.7
57.07066	36.3
61.02919	7.5
61.69217	0.4
67.05494	9.2
69.03404	0.7
69.06717	0.7
69.07060	7.2
69.62768	3.0
71.08620	29.6
73.02911	3.1
75.04474	2.1
79.05460	0.7
81.07042	12.6
82.73415	0.3
83.08147	0.6
83.08609	10.4
85.02894	9.2
85.10170	16.5
87.04424	0.5
89.05994	1.4
91.03938	9.6
93.07024	0.4
95.08593	21.9
97.02876	4.5
97.10152	5.4
98.20753	0.7
99.08038	0.4
99.11720	1.1
101.05971	0.5
103.03851	0.6
103.07572	0.5
109.02891	0.5
109.09449	0.7
109.10139	9.1
111.11680	1.8
113.13266	0.4
115.03972	0.5
118.06645	0.4
123.11671	4.4
125.13236	1.0
127.03902	3.0
128.63016	0.4
137.13213	1.9
139.14758	0.4
145.04941	4.4
151.14787	0.7
159.13498	0.4
163.04709	0.5
163.05992	6.3
165.16373	1.0
221.22653	1.0
239.23642	24.6
240.23883	0.5
257.24725	3.8
273.26855	0.4
275.25702	0.5
298.27219	1.0
313.27307	100.0
314.27808	2.2
331.28366	21.3
337.90012	0.4
457.31396	0.5
475.32477	2.4
577.24182	1.5
637.26355	1.0
655.27173	1.6
655.36603	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97049	0.9
55.05494	3.6
57.07062	5.3
67.05486	0.9
69.07057	1.0
71.08598	1.2
71.53108	0.7
71.53495	0.8
74.10551	0.9
81.07022	2.6
81.38783	0.7
83.04968	19.0
85.10165	1.3
89.06031	1.4
91.05441	2.2
98.98462	1.3
101.87424	0.9
105.06990	0.9
110.17863	0.8
110.25252	0.9
119.08546	1.0
125.05975	1.5
127.03912	0.9
128.06215	1.4
129.06993	2.4
132.08147	0.8
133.10054	0.9
137.05927	6.5
138.06303	0.8
147.07990	1.3
147.11676	3.1
175.01558	9.8
179.10674	2.3
181.02586	13.5
197.11688	5.8
198.12056	1.5
198.90746	0.9
209.10669	1.2
217.09479	0.7
223.12288	2.5
224.13098	1.1
225.13806	1.8
227.04590	4.9
231.07687	1.1
235.12288	1.5
236.12947	1.1
237.13834	4.7
238.14626	3.5
239.15448	1.8
249.13942	2.0
251.15453	3.3
252.16014	1.5
253.16956	2.6
257.05734	1.5
261.13840	6.7
262.14661	1.7
277.17014	0.9
279.14993	3.0
280.15744	1.2
283.10977	1.3
313.11923	10.4
352.17236	0.9
353.17419	1.1
367.19174	3.1
368.20172	1.2
369.18130	3.6
377.17850	4.0
378.19452	1.1
379.19312	2.2
380.16513	1.7
391.19470	1.4
393.20657	1.3
394.17953	1.0
395.18561	3.6
400.20285	1.5
405.16751	1.3
407.18484	3.8
409.20340	2.1
419.18161	1.1
420.19226	1.7
421.20175	2.0
422.21234	1.1
424.19812	1.1
425.19666	1.6
426.21814	0.9
435.17920	2.0
437.19403	1.6
438.20370	1.6
439.21378	1.9
440.22308	1.2
448.18903	1.3
449.19318	4.2
450.20590	2.1
453.22775	1.3
454.23132	0.9
462.19785	0.9
463.21680	1.9
465.18503	5.4
466.19852	2.3
469.26450	2.2
476.18393	1.8
477.19077	2.6
479.23956	3.0
480.21417	1.8
481.22159	2.5
482.23038	2.9
483.19925	1.3
487.12488	1.1
492.21417	0.9
493.18063	1.5
497.25711	7.4
501.22632	1.3
507.24094	3.9
508.20520	3.9
509.21603	1.4
510.22510	2.7
512.25116	1.1
514.25873	4.2
525.24847	8.5
529.27960	6.5
535.23273	3.8
536.23627	1.4
542.25031	2.4
543.18854	6.3
552.23682	0.9
553.24500	4.9
557.27057	3.4
563.22595	2.8
565.27911	2.8
567.25696	6.4
569.27423	1.4
570.24469	1.6
581.23755	6.0
585.26941	15.5
595.25397	97.1
596.25525	3.9
599.25220	18.7
611.28125	1.2
613.26434	100.0
614.26709	4.2
623.24432	2.4
627.27649	1.2
643.91431	1.1
655.28821	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2756
Annotation	Karajinone A
Peak:m/z	Relative Intensity
55.01868	1.1
55.05503	5.4
55.33369	0.8
57.07074	5.4
59.05000	1.0
67.05486	0.9
68.11435	0.9
69.07048	0.8
70.83270	1.8
71.04997	1.3
76.82241	0.9
78.93806	0.7
79.05472	1.6
81.07035	2.5
83.04479	1.6
83.04967	21.5
91.05450	2.3
105.07010	1.0
125.05964	3.5
126.06296	0.8
127.03872	2.0
129.06981	3.5
137.05971	9.7
138.06216	1.5
144.08069	0.9
147.07991	2.1
147.11642	4.2
171.09230	1.2
175.01540	10.1
179.10612	3.4
181.02588	17.1
197.11748	5.6
198.12003	1.8
209.10652	1.3
221.10564	0.9
223.12228	1.7
224.13058	1.2
225.13879	2.1
227.04665	6.4
231.07605	1.2
235.12198	1.7
236.13023	1.3
237.13879	5.5
238.14590	3.8
239.15421	2.6
246.11693	1.0
247.12201	1.4
249.13919	1.9
251.15390	3.9
252.16226	1.4
253.16960	4.0
257.05548	2.2
261.13943	6.2
261.16312	1.3
264.12540	1.1
279.14966	2.3
283.10690	1.5
313.11905	13.1
334.14664	0.9
335.89227	1.0
353.17944	1.2
364.17850	0.9
365.17844	2.0
366.18933	1.3
367.19315	2.5
369.18167	3.7
377.17575	2.0
379.15396	1.5
381.20773	1.5
391.19351	1.6
392.20303	1.1
395.18555	2.1
397.98459	0.8
405.17102	1.8
406.17584	1.3
407.18472	2.6
409.20337	1.4
420.19485	1.7
421.20242	1.7
422.21542	1.2
423.22278	1.0
425.20151	1.1
435.18152	3.0
437.19687	1.9
439.21292	2.4
448.18820	1.2
449.19595	2.7
450.20642	1.8
455.20322	1.5
461.19437	1.2
463.21323	1.8
465.18872	7.1
469.25586	2.4
476.18433	2.7
477.19415	1.3
479.25052	1.8
480.21722	2.6
482.23251	2.3
483.20007	2.5
490.21121	0.9
497.25693	6.3
507.24188	5.4
508.21179	3.4
509.21231	1.0
510.22388	2.8
514.25873	5.3
525.25085	9.0
529.28418	4.8
533.25543	1.1
535.23389	2.5
536.23602	1.3
539.25714	1.0
542.24884	1.3
543.18732	6.8
552.23657	1.1
553.24377	4.3
557.27106	3.2
563.23157	2.7
565.27850	2.8
567.26013	5.5
569.26941	1.5
570.24762	1.3
581.23743	3.0
583.28839	1.4
585.27039	15.0
595.25421	86.8
596.25659	4.4
599.25195	18.7
613.26495	100.0
614.26630	3.1
623.24786	1.7
627.27344	1.1
655.30804	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	655.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02261	0.6
55.05532	1.0
57.03462	1.8
67.05500	5.2
68.05868	0.9
68.59081	0.6
69.03452	1.5
69.07092	2.0
70.06628	2.9
70.43714	1.6
71.05040	3.2
72.07806	0.6
72.08177	0.9
79.05534	2.6
81.03403	4.1
81.07050	3.4
81.85279	0.7
83.05035	2.6
83.08658	0.9
84.04549	1.5
84.08167	1.0
85.02898	4.7
86.09727	1.7
91.05472	3.9
93.07024	4.4
94.54840	0.8
95.05032	2.2
95.08655	3.2
96.04509	0.8
97.02938	2.0
98.06125	0.7
99.04482	0.9
105.07095	3.3
107.05000	0.8
107.08682	3.0
109.02916	1.0
109.06592	0.8
109.10128	6.3
109.81786	0.7
110.07129	0.7
110.10545	1.5
111.04430	1.0
117.07083	0.7
119.08565	3.9
120.08146	1.0
121.06545	1.4
121.10207	2.7
123.08135	1.1
123.11732	1.1
126.05672	0.8
129.05544	1.9
129.07088	0.9
131.04971	0.9
131.08627	1.5
133.06512	1.0
133.10199	2.2
135.08084	0.9
135.11691	0.7
137.06001	1.2
137.09657	1.6
145.05075	2.6
145.10213	1.9
147.04462	1.2
147.08122	1.8
147.11746	1.7
149.05998	0.8
151.07568	1.3
157.10243	1.2
159.11765	0.8
161.09688	0.9
162.05418	1.3
162.07607	6.0
163.06131	2.3
165.09174	2.9
167.07095	0.7
173.11775	1.1
173.13385	1.0
175.11186	1.0
177.05548	0.7
188.06819	4.1
189.10283	0.8
190.06419	0.8
193.08569	0.8
193.12259	0.9
213.04057	0.9
215.10364	0.7
221.08211	2.5
227.05496	8.2
229.14465	3.0
230.14679	1.5
239.09184	1.0
264.97238	0.7
267.16089	2.6
268.16425	2.3
293.12604	1.4
294.11688	1.2
311.13559	17.6
315.11227	2.0
316.11789	4.0
316.30847	0.8
317.09061	1.0
317.12479	9.4
318.13565	3.1
319.10489	6.8
320.11349	1.9
325.10959	0.7
335.09991	1.6
343.10349	0.8
348.54102	0.7
359.10178	3.0
360.10776	7.5
361.11520	77.0
362.12134	8.1
367.12662	3.0
393.14160	12.1
410.14160	0.8
421.25937	2.0
422.26019	3.5
439.18466	1.3
442.17624	0.8
456.19049	2.3
457.20117	0.7
460.18369	1.9
482.16769	1.0
483.17499	9.7
484.18338	1.4
500.18024	2.1
501.18808	2.4
502.19281	4.3
515.19788	1.0
532.20514	2.0
579.25586	6.5
623.24670	99.9
624.25055	6.3
655.27240	100.0
656.27740	7.4
673.26898	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	655.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	2.0
57.03445	1.5
59.05024	0.6
67.05497	5.8
67.05798	0.6
69.03428	2.1
69.07069	1.2
69.99805	3.4
70.06614	2.9
71.04993	2.4
72.04518	0.7
72.08173	0.8
73.02937	1.3
79.05510	1.7
81.03396	4.0
81.07030	5.1
83.04990	1.9
83.08617	1.0
84.04523	1.5
84.08159	1.4
85.02881	5.5
85.06561	0.7
86.09740	0.9
88.78143	0.7
91.05495	3.1
93.07037	4.6
95.04991	2.6
95.08633	2.7
97.02897	1.5
97.10189	0.8
105.07001	3.5
107.04980	0.9
107.08605	2.5
109.02865	0.7
109.06539	1.1
109.10145	4.8
110.10497	0.9
111.04455	1.1
111.08121	1.7
119.04960	0.7
119.08571	4.7
120.08119	0.9
121.06520	1.3
121.10155	1.9
122.06076	1.3
123.08066	0.9
125.09674	1.0
127.03912	1.9
129.05511	1.2
129.07037	1.1
129.10275	0.7
130.08665	0.7
131.05000	0.9
131.08583	1.0
133.10143	2.0
135.11653	0.9
137.06010	2.0
137.09654	1.1
139.11153	0.7
143.08614	0.6
144.06601	0.9
145.04973	2.6
145.10167	1.5
147.04398	1.1
147.08101	1.4
147.11772	1.2
149.09679	1.0
151.11235	1.0
159.11732	0.7
162.05351	1.4
162.07607	5.7
163.06082	1.8
163.11171	1.0
165.09158	2.2
173.09770	0.8
173.11826	1.1
177.05447	1.4
188.06828	3.5
189.10338	1.0
191.10638	0.7
204.06589	1.0
207.06535	0.9
221.08147	2.6
227.05476	7.3
229.14169	3.4
230.14641	1.5
239.09015	0.8
267.15802	3.3
268.16379	1.9
293.12692	1.8
297.12418	1.7
310.38232	0.7
311.13580	21.1
315.11026	2.4
316.11700	4.3
317.09128	1.0
317.12506	10.0
318.13229	4.3
319.10419	9.4
320.11407	1.5
335.10007	1.2
343.10669	1.1
349.15494	0.8
359.10037	2.6
360.10773	7.1
361.11514	78.5
362.12122	6.2
367.12552	3.1
393.14124	10.3
421.25739	1.6
422.26123	3.6
442.17374	1.6
456.18842	3.1
457.19852	0.8
470.23080	0.8
483.17584	7.9
484.18143	1.1
500.17746	3.1
501.18631	2.5
502.19302	3.0
515.20917	0.9
532.20752	1.9
579.25696	5.2
581.20593	0.7
623.24646	98.0
624.24835	4.0
655.27216	100.0
656.27295	2.4
673.27045	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	653.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.8
57.07060	2.8
59.04962	0.7
67.05490	1.7
69.07053	0.9
71.04961	0.7
71.08630	1.6
74.09708	0.7
79.05481	1.6
81.07040	3.4
83.08591	1.1
83.47795	0.8
85.10170	1.8
87.04462	0.8
89.06028	1.3
91.05453	1.8
93.07033	3.5
94.07365	0.7
95.04969	1.5
95.08598	6.3
96.08914	1.2
105.07024	2.4
107.08567	3.9
109.02831	0.8
109.10165	1.7
116.21249	0.6
119.08556	0.9
120.08096	1.4
121.10130	5.7
122.10516	1.1
127.79162	0.8
133.08542	0.9
133.10138	2.2
145.10138	1.0
149.27916	0.7
173.36574	0.7
175.14803	0.9
177.16354	8.4
178.16649	3.4
209.10757	1.5
209.15451	1.7
210.11504	1.6
211.12279	1.4
220.10056	0.9
221.10771	0.7
223.08649	0.7
223.12292	2.3
224.13037	0.9
225.13855	4.2
226.14590	1.1
235.12041	1.0
237.10266	1.1
237.13940	2.7
239.15494	1.0
249.10126	1.7
249.13800	1.0
251.11841	1.1
277.09756	1.7
296.11746	0.8
312.11484	0.9
314.12555	0.9
314.16544	0.8
328.14417	0.8
337.11804	1.4
338.12756	1.0
340.14517	1.0
366.15988	1.6
379.13049	0.8
380.13895	1.1
394.15662	0.8
400.17105	1.0
401.17487	1.0
403.19437	1.1
415.14880	1.1
416.15771	1.2
417.21176	1.0
429.17136	2.4
430.18085	1.5
431.18716	4.3
431.36627	0.8
432.18820	1.0
443.18854	2.3
444.19434	2.4
445.20190	3.6
446.20743	3.8
447.21860	3.5
448.21472	0.7
454.17404	1.0
457.15826	1.0
459.22327	5.7
460.22519	1.4
461.23166	1.0
471.18256	2.0
473.19217	0.8
473.23840	1.2
474.19745	0.9
475.21213	3.1
476.21466	0.9
487.21353	10.3
488.21390	1.2
489.22995	1.4
491.20294	1.0
501.22858	3.0
515.20630	3.4
519.23920	3.7
529.22687	3.6
533.25574	4.0
534.22577	2.0
546.22919	1.4
547.23334	2.6
561.24860	68.6
562.25134	5.6
589.24316	4.0
621.26947	100.0
622.27393	9.1
653.29419	2.6
653.40070	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	654.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.0
55.01867	4.0
55.05505	6.4
56.05008	0.8
57.03407	4.3
57.07064	2.8
59.04992	1.9
60.04494	1.1
61.02913	3.6
65.03899	0.8
67.05492	10.5
68.99791	1.0
69.03418	18.5
69.07055	9.3
70.06577	6.8
71.04981	6.6
71.53288	1.4
72.08147	2.2
73.02913	3.2
79.05476	8.7
81.03401	12.9
81.07039	21.9
82.06573	1.8
83.04966	18.6
83.08608	8.3
84.04446	1.3
84.08132	3.8
85.02890	37.6
85.06528	4.1
86.09696	1.8
87.00817	12.9
87.04446	2.1
89.03873	1.2
91.05470	8.2
93.07018	14.6
94.06519	1.5
95.04954	42.1
95.08593	13.4
96.05306	1.0
97.02871	15.0
97.06521	9.5
97.10182	1.0
99.04440	14.6
99.08064	2.0
99.49754	0.9
100.07597	1.3
103.05437	1.0
105.01852	18.9
105.07021	22.4
107.04966	1.6
107.08579	27.7
109.02852	13.8
109.06496	26.6
109.10135	41.1
110.07170	1.7
111.08070	6.7
113.06033	1.1
113.09672	1.3
115.03906	2.0
115.07550	3.4
116.07080	1.0
117.01887	1.1
117.03378	2.7
117.07018	2.2
119.04942	1.9
119.05923	0.7
119.08561	22.5
119.09350	1.7
121.02849	0.8
121.06478	1.9
121.10121	22.8
123.04449	0.8
123.08078	6.9
123.11691	9.1
125.05988	1.0
125.09612	4.0
127.03890	26.2
127.07529	2.2
129.01862	0.9
129.06998	1.5
129.10188	1.2
130.04930	1.2
130.08658	2.1
131.08560	12.1
133.10104	60.2
135.08051	12.2
135.09012	1.5
135.11665	14.1
135.12688	1.1
136.07542	1.4
137.05971	4.2
137.09625	2.0
137.13274	1.0
139.11156	8.8
141.09091	0.9
143.08517	1.6
144.09262	1.0
145.02838	5.4
145.04942	10.1
145.10080	8.3
146.08139	1.1
147.02856	1.9
147.04385	1.1
147.11664	14.8
149.05994	2.3
149.09602	2.8
149.13226	17.9
151.07530	2.1
151.11156	9.3
153.01764	1.3
153.09081	20.6
154.08588	1.1
158.10864	5.3
159.02913	5.2
161.05925	1.8
163.07556	1.5
163.11214	1.4
163.14813	4.5
164.06953	1.2
165.12746	2.1
166.08626	2.4
167.07022	1.8
167.14302	9.7
171.10126	2.0
171.11508	1.0
173.13229	38.5
174.13510	1.5
174.39249	1.0
175.14792	64.6
176.15155	1.7
177.05403	7.1
189.09038	1.0
191.14272	61.0
192.14589	2.0
193.15828	4.1
201.05420	1.6
202.05545	1.2
203.07118	1.4
203.14322	0.9
209.15331	100.0
210.15680	3.4
213.03946	2.4
213.10355	1.3
225.14832	1.2
227.16374	44.5
231.04941	7.5
241.09618	1.4
249.06078	3.8
253.09900	1.2
254.08011	1.0
255.11407	1.6
267.11172	1.3
281.09229	1.6
283.10736	1.5
295.10739	2.0
297.09015	1.4
297.12320	1.3
309.08383	1.5
313.11780	1.9
315.13892	1.0
323.09796	1.0
324.06976	0.9
327.12637	1.7
328.12848	2.2
338.28299	0.9
353.19531	2.7
371.20505	2.4
373.13953	1.6
401.13602	1.3
409.13831	1.0
421.18768	1.2
427.14719	1.5
439.19403	2.4
447.13821	1.3
453.22000	1.8
455.14145	2.4
457.20505	2.0
461.15463	1.1
473.15961	1.1
479.16510	2.3
505.18002	2.6
559.19421	0.9
587.18066	1.7
605.19305	3.6
619.21118	1.3
623.21082	2.3
637.22235	7.2
654.20917	2.4
655.23120	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	653.2957
Annotation	Haplophytine
Peak:m/z	Relative Intensity
50.73982	0.9
53.94024	0.9
55.05495	2.5
56.99322	1.1
57.03424	1.8
57.07061	1.2
67.05491	9.4
69.07066	6.5
71.04970	2.0
71.08642	1.3
71.53044	1.4
79.05467	5.1
81.07043	11.1
81.85991	0.9
82.07386	1.7
83.08614	4.7
89.27185	1.0
89.98392	0.9
91.05463	2.2
93.07020	7.9
95.08598	6.7
97.06523	2.5
97.10168	1.4
102.26665	1.1
105.07023	2.9
107.08577	5.0
109.06504	1.1
109.10143	1.9
111.08066	1.8
114.37463	1.0
117.07005	1.3
119.08564	1.8
121.10130	3.5
133.10127	1.7
135.11674	2.0
139.80212	1.2
149.13232	4.8
150.13565	1.5
167.14265	1.4
231.15921	3.7
233.60872	1.0
237.14172	1.0
239.15291	1.1
261.22058	1.3
269.17493	4.3
283.18915	2.1
284.19394	1.4
326.16577	1.4
335.25705	8.7
336.26196	4.0
351.84219	1.2
357.22614	8.9
358.23120	4.3
378.35849	1.1
390.18475	1.7
403.19589	2.2
404.19824	3.0
405.20767	7.8
406.20566	1.2
417.20779	1.8
419.22372	8.1
420.23117	2.3
421.24017	1.5
433.23926	6.2
434.24789	3.2
444.19940	1.2
447.21857	3.6
448.19446	1.1
449.19580	6.2
450.20444	1.6
459.20697	1.3
463.21234	5.6
464.22217	4.8
465.22815	3.2
475.21216	3.3
477.22784	4.4
478.23660	2.7
479.24371	28.9
486.20023	1.2
487.21210	4.4
491.20203	1.6
492.25861	1.8
501.22629	3.0
502.22922	2.0
505.26102	1.6
507.27490	17.3
517.22516	1.2
519.24170	4.8
533.25281	4.2
537.24756	9.2
541.38672	2.4
551.26556	23.7
560.24176	2.3
561.24963	5.1
565.28009	12.8
566.28802	52.8
567.29260	1.7
575.26477	6.0
588.23730	2.0
593.27252	7.3
603.26111	1.6
617.44275	2.2
618.44391	3.3
621.26965	11.7
635.28302	12.1
653.29596	100.0
654.30182	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	653.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06998	0.6
60.12769	0.5
69.44527	0.5
79.05357	0.6
85.10064	0.6
87.04378	0.7
89.05909	1.8
89.06410	0.8
95.08481	0.6
96.87415	0.5
98.20734	1.8
104.69419	0.5
118.06425	0.8
120.07980	1.0
121.10178	0.6
130.08495	0.8
133.08522	0.6
182.29442	0.6
186.38957	0.6
195.09052	0.8
196.82050	0.5
197.10510	0.9
204.06386	0.6
207.09007	0.6
208.09792	0.7
209.10503	0.8
210.11176	1.5
212.12993	0.9
221.10509	1.3
222.11386	0.7
223.12190	1.9
225.13821	3.8
226.14502	1.3
230.16455	0.6
235.08469	1.1
235.12117	1.1
236.09229	0.6
237.10004	0.9
237.13861	2.7
238.14470	1.2
239.15161	1.2
249.10065	1.8
249.13829	1.5
250.10999	0.7
251.08075	0.8
251.11763	0.6
263.11700	0.6
265.09326	0.7
265.13089	0.9
265.99243	0.6
269.12863	0.7
275.15146	0.6
277.09427	1.5
321.12448	0.6
324.14841	0.8
337.11853	1.9
338.12805	0.7
351.13568	1.1
352.14282	1.1
366.15854	1.5
368.13696	0.7
380.13715	0.6
382.15546	1.2
384.12863	0.6
387.15897	0.7
389.17923	0.6
394.15472	0.8
396.13223	1.1
401.17505	1.9
402.18536	1.0
403.19238	1.5
415.15234	1.2
416.20340	1.0
417.16415	1.1
417.21127	1.4
426.18484	0.8
429.16794	3.0
430.17838	1.9
431.18555	2.5
432.19226	0.7
442.14108	0.7
443.18594	2.1
444.19196	2.4
445.20047	3.1
446.20935	2.4
447.21869	4.3
448.22488	0.7
454.17413	2.1
457.16013	1.2
459.22601	4.5
460.22610	0.9
471.18286	1.2
472.18661	2.3
473.18695	0.9
473.23901	0.9
474.20120	1.1
475.21310	2.0
487.21326	9.7
488.21786	1.8
489.22601	0.7
501.22971	3.9
502.20483	1.2
503.20840	1.0
504.21564	0.7
515.20862	2.7
517.21643	0.7
518.23267	0.8
519.23914	3.7
529.22699	3.3
530.22998	0.8
531.20270	1.0
533.25861	3.9
534.22955	0.7
547.23401	2.4
561.24878	87.0
562.25293	9.6
589.24481	7.6
621.26984	100.0
622.27307	13.5
653.29517	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07044	1.6
59.04988	1.0
67.05495	1.2
69.24731	1.9
69.25141	6.0
71.08619	1.5
85.10097	0.8
89.06006	1.4
95.08554	0.8
98.21587	1.4
126.28724	0.8
198.89430	0.8
209.10785	0.8
210.11473	1.2
221.10880	0.9
222.11443	1.2
223.12273	1.9
224.13063	0.9
225.13814	4.8
226.14731	1.3
235.08563	1.0
237.10202	1.0
237.13843	2.5
239.15295	0.9
248.09497	0.9
249.10130	2.3
249.13858	1.4
251.07982	1.6
277.09589	1.1
292.18365	0.8
312.90262	0.8
314.12589	0.8
324.14923	1.1
326.12781	1.1
337.11679	1.0
338.12820	1.8
340.14301	1.1
352.14297	1.0
354.16232	0.8
387.15952	1.4
396.13290	1.4
401.17905	1.5
415.19815	1.0
429.17044	3.5
430.17969	1.2
431.18402	3.1
433.19745	1.3
443.18607	2.3
444.19379	1.5
445.19992	3.3
446.20856	2.5
447.21817	3.6
454.17728	2.2
459.22452	5.1
460.22336	2.1
463.26627	1.1
471.17706	0.9
472.18497	1.2
473.23892	1.7
474.20273	1.6
475.21255	1.6
487.21359	9.1
488.21899	1.3
501.23026	4.1
502.22913	0.9
515.20135	2.6
519.23737	2.9
529.22351	3.7
531.20660	1.1
533.25543	4.3
534.22253	1.1
547.23181	1.9
561.24884	78.5
562.24982	2.7
575.25861	0.9
589.24628	6.4
593.30603	3.0
600.29877	0.9
621.26965	100.0
622.27515	4.3
632.14398	0.9
652.44287	1.3
653.30719	9.0
653.40149	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	652.476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.8
55.01843	0.7
55.05495	5.5
57.07049	2.0
65.03894	0.6
67.05481	5.7
69.03403	1.4
69.07051	9.8
69.92840	0.6
70.99837	0.9
71.00173	0.8
71.04964	2.2
71.08600	1.6
79.05480	7.1
81.03396	1.3
81.06573	0.8
81.07036	16.2
83.08604	7.0
85.06463	0.6
85.10159	0.7
89.06020	0.7
91.05448	4.0
93.07021	13.6
95.04937	1.2
95.08585	31.8
97.06475	0.7
97.10146	2.9
97.94644	0.5
99.08062	4.6
105.07007	4.3
107.08568	26.7
109.02839	1.0
109.06441	0.7
109.10130	8.1
111.08047	1.3
113.09606	1.9
117.06991	1.4
119.08537	1.9
121.10117	40.6
123.07980	0.6
123.11668	0.8
125.09612	1.4
125.13248	0.7
131.08513	2.4
133.08549	1.0
133.10117	1.0
135.07988	0.9
135.11655	8.2
137.09599	0.8
137.13213	4.5
139.11131	1.0
145.10056	1.1
147.11664	1.2
149.13232	4.1
156.22618	0.5
157.10149	1.0
159.11707	0.7
161.13226	0.7
169.10052	0.6
175.14725	0.6
177.16347	100.0
178.16705	1.5
195.17392	4.3
210.88293	0.6
219.13528	0.6
264.72849	0.6
273.22186	0.6
301.21509	1.0
303.23157	1.1
315.23108	0.6
330.50739	0.6
339.29224	0.7
345.23746	0.7
351.23108	1.5
369.24237	3.9
387.25290	4.3
405.26181	3.7
423.27365	1.3
477.13885	0.6
500.51962	0.6
561.24701	1.1
561.54529	0.6
603.64868	0.6
653.28479	1.9
653.39984	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.477
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71791	0.8
53.03924	1.0
55.01867	12.3
55.05495	6.9
57.07049	4.0
59.04984	1.7
67.05495	7.0
69.03417	2.0
69.06723	1.4
69.07057	14.4
69.64308	6.7
71.04969	2.4
71.08613	2.8
79.05485	5.7
80.82219	0.9
81.03388	1.8
81.07045	20.0
83.08615	9.1
85.06521	3.1
85.10143	1.6
87.04455	1.7
89.06001	2.1
91.05457	5.4
93.07030	18.1
95.04921	1.4
95.08592	37.1
97.06533	1.2
97.10154	3.9
98.20735	1.1
99.08079	84.8
100.08398	0.9
104.53831	1.1
105.07001	3.7
107.08578	32.3
107.67714	1.0
108.08873	1.0
109.10136	9.2
109.10789	1.3
111.08064	53.9
112.08463	1.1
113.09627	3.6
117.07061	1.4
119.08542	3.5
121.10125	51.3
123.08044	1.2
123.11739	1.4
125.09596	3.0
129.06996	0.9
130.08612	1.8
131.08539	2.2
133.10152	2.3
135.11671	9.2
137.13239	6.9
139.11142	1.9
141.58417	1.0
147.11613	1.9
149.13245	3.9
153.59735	0.9
173.13188	1.2
174.52310	1.1
177.16359	100.0
178.16682	1.0
195.17410	31.6
303.23218	1.5
369.24106	3.0
387.25314	5.3
405.26337	3.5
423.26852	1.4
561.24597	2.3
621.26752	3.0
637.94135	1.0
652.43829	3.0
653.29279	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	651.4089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	1.4
52.23555	1.4
53.03928	5.6
55.01854	5.4
55.05249	2.5
55.05500	26.2
57.03425	12.3
57.07058	3.3
57.11969	1.2
59.04986	3.9
65.03930	4.5
67.05491	100.0
69.03412	28.5
69.07059	15.3
71.01298	1.3
71.04970	7.5
71.08650	1.5
79.05481	33.2
81.03403	40.9
81.07037	54.0
83.04961	20.1
83.08602	13.8
83.64918	1.3
85.02882	6.0
85.06519	5.5
87.04449	1.7
89.05998	2.0
91.04891	1.6
91.05465	33.3
93.07026	36.2
95.04961	10.3
95.08588	41.1
97.02863	12.0
97.06504	3.4
97.10136	9.9
99.04439	5.5
99.08041	1.8
103.03923	1.8
105.07014	24.0
107.04935	6.0
107.08570	22.9
109.02840	8.1
109.06492	5.5
109.10134	71.6
110.10449	1.5
111.04416	7.2
111.08089	5.7
113.05988	1.5
114.16203	1.2
115.05465	2.1
117.06989	13.2
117.57529	1.5
119.08557	26.6
121.06454	3.5
121.10129	16.7
123.08025	2.2
123.11682	7.4
125.09611	9.8
127.03914	7.4
128.06192	1.9
129.05463	6.6
129.06952	8.5
131.04932	1.8
131.08528	19.9
133.06483	4.0
133.08548	3.1
133.10114	16.7
135.08034	7.8
135.11644	12.8
137.09570	5.5
137.13165	1.4
139.11195	1.9
141.07005	3.0
142.07764	2.3
143.08507	8.5
145.06424	2.5
145.10098	18.8
147.08008	4.1
147.11670	12.4
149.09605	4.4
149.13228	5.1
151.11101	1.6
153.06967	1.4
153.09145	1.6
155.08513	5.4
155.10606	3.8
157.06487	2.4
157.10078	7.6
159.08099	2.4
159.11665	11.1
161.09593	4.2
161.13226	5.6
163.11166	3.0
163.14804	2.4
166.54128	1.3
167.08574	2.1
169.10104	4.2
171.11674	9.3
173.09564	2.7
173.11714	24.8
173.13243	8.7
175.11130	4.4
175.14761	3.3
177.12672	2.0
181.10045	3.0
183.08057	1.9
183.11624	3.9
185.09563	2.8
185.13254	3.8
187.11127	2.2
187.14790	3.0
189.09431	1.2
189.11191	7.7
189.12703	2.4
195.11627	1.5
197.09554	1.5
197.13268	3.5
199.11131	2.1
199.14772	2.7
201.12682	2.3
201.16348	1.8
209.13249	1.9
211.87617	1.3
213.12840	1.5
213.16408	1.6
215.14197	1.8
225.12738	2.3
227.12683	11.1
229.14285	38.3
239.14317	1.9
243.21100	2.1
245.13788	2.1
259.20572	4.4
261.22092	7.7
263.23721	1.6
268.38782	1.4
271.20554	1.8
273.22232	2.0
277.21646	4.4
289.21573	2.3
291.23245	2.2
299.14920	2.5
301.21561	5.7
313.21497	1.7
319.22366	1.7
327.23129	3.4
335.25769	13.5
337.27216	5.5
341.24631	3.7
343.22864	1.4
345.23941	3.2
351.23260	7.4
357.24158	1.7
369.24091	14.6
371.16959	4.1
371.25870	2.0
373.18378	8.7
375.24997	2.3
387.25070	10.7
393.26215	1.9
405.26212	4.3
425.26883	1.6
443.27826	5.2
461.28732	8.4
472.99380	1.5
479.29831	6.6
487.33957	1.6
489.35522	9.6
547.36145	1.6
555.36017	1.7
559.35870	4.2
573.37286	3.3
597.37811	7.1
603.38141	1.8
615.38690	11.0
633.39893	51.0
634.40808	3.2
651.40900	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	651.4089
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91131	1.8
53.03925	4.9
53.88546	1.7
55.01865	3.5
55.05502	24.7
57.03432	10.4
57.07065	6.0
59.04983	5.4
65.03928	3.3
67.05491	100.0
69.03082	2.0
69.03420	23.1
69.07056	26.1
69.18989	19.1
69.99849	1.8
71.04986	8.6
71.24853	2.1
79.05477	33.9
81.03400	25.3
81.07038	64.9
83.04960	13.4
83.08604	17.2
85.02877	6.4
85.06538	5.7
85.10132	2.9
87.04441	2.5
89.06016	1.9
91.05456	31.6
93.07034	45.7
93.37682	1.9
94.07362	2.5
95.04942	10.7
95.08588	46.3
96.08906	3.0
97.02881	7.3
97.06509	3.7
97.10136	12.6
99.04448	4.8
99.08072	5.3
103.03890	3.2
103.05415	2.3
105.07001	44.2
106.07367	6.3
107.04927	3.6
107.08577	41.7
108.08846	2.3
109.02859	6.9
109.06493	5.7
109.10137	75.8
110.10452	2.6
111.04420	7.3
111.08074	6.1
113.09580	2.6
113.15926	2.1
117.06992	13.8
119.08556	50.1
119.09367	3.8
120.08914	6.0
121.06479	4.9
121.10120	30.5
123.08034	4.9
123.11669	10.0
125.09621	7.0
127.03873	7.4
128.06221	2.3
129.05457	8.3
129.06982	6.3
131.08534	17.4
133.06502	4.9
133.10098	45.2
134.10426	9.3
135.08041	5.2
135.11676	22.8
136.12009	6.2
137.09608	10.0
139.11183	2.9
141.06949	3.1
143.08511	10.6
145.06462	3.5
145.10081	15.2
145.35767	2.0
147.08017	3.3
147.11647	13.4
149.09586	4.1
149.13225	9.0
153.08961	2.2
155.08524	5.6
155.10628	4.9
157.10100	6.7
159.08049	3.5
159.11670	12.3
161.09525	2.7
161.13249	4.8
163.11150	4.2
163.14824	2.7
167.08510	2.2
169.10086	4.8
171.07925	2.1
171.11673	7.8
173.09567	3.9
173.11710	23.4
173.13217	6.7
175.11165	2.3
175.14798	38.5
176.15132	16.5
177.12691	2.0
177.16313	15.6
181.10152	2.7
183.11667	4.9
184.07323	2.6
185.13249	7.1
185.51990	1.9
187.11145	3.0
187.14806	4.4
189.11194	3.8
189.12746	2.6
193.12093	2.5
193.15836	5.5
194.16161	2.0
195.11693	3.4
195.17432	3.3
197.13222	3.4
199.11198	2.6
199.14778	2.7
209.13275	3.6
209.15271	3.3
213.18466	7.0
227.12727	8.2
229.14285	53.5
245.13626	2.6
259.20438	3.2
277.21539	4.1
301.21613	5.3
303.22910	3.0
319.22949	2.2
335.25726	7.1
341.24582	2.4
345.24164	3.0
351.23041	5.3
353.24863	2.3
369.24197	12.6
373.18451	5.1
383.20972	2.4
387.25299	10.2
405.26239	5.2
433.35049	2.0
443.27835	4.0
461.28952	6.4
479.29868	6.9
489.35641	7.7
501.22110	2.0
545.57147	2.1
573.38049	3.4
597.37555	7.4
615.38818	11.9
618.98602	2.1
633.39868	41.8
634.40100	2.9
651.41034	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	651.4089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.6
55.01862	4.5
55.05501	28.6
57.03429	11.3
57.07058	3.3
59.04987	3.7
60.92383	1.1
65.03928	2.5
67.05493	100.0
69.03419	25.2
69.07065	17.2
71.04992	8.0
71.52895	2.0
79.05480	32.4
81.03407	43.6
81.07043	59.2
83.04975	19.7
83.08598	14.4
85.02888	5.7
85.06525	5.1
87.04465	2.6
91.05474	26.5
93.07028	35.2
94.07364	1.2
95.04963	11.2
95.08590	41.2
97.02877	13.7
97.06525	3.8
97.10156	16.6
99.04452	5.2
99.08089	3.0
105.07011	22.5
107.04955	2.4
107.08578	26.5
109.02874	7.4
109.06505	4.1
109.10141	59.0
111.04450	7.1
111.08071	5.4
115.05426	2.0
117.06995	12.2
119.08571	20.5
121.06493	3.4
121.10131	16.6
123.04401	1.9
123.08046	3.9
123.11684	6.0
125.09604	12.4
127.03922	7.6
127.39767	1.1
128.06221	2.5
129.05470	8.7
129.06953	8.0
130.08624	1.6
131.08534	16.2
133.06490	2.4
133.10115	11.9
135.08035	4.0
135.11702	11.3
135.12730	1.6
137.09605	5.9
137.13222	1.2
137.37321	1.0
139.11188	2.5
141.06993	2.2
143.08565	8.4
145.06479	2.3
145.10095	13.6
146.08128	1.0
147.08037	2.8
147.11623	7.7
149.09552	2.2
149.13242	5.7
151.07532	1.3
153.09109	1.9
155.08507	5.4
155.10678	2.9
157.06459	2.6
157.10094	8.0
159.08046	2.8
159.11642	8.0
161.09592	2.5
161.13251	4.4
163.11137	2.0
163.14847	2.1
169.10097	3.5
171.08046	2.5
171.10342	1.5
171.11615	6.1
173.09583	2.1
173.11725	15.0
173.13239	6.5
175.11176	3.2
175.14752	4.0
177.12735	2.3
177.16211	1.5
179.14365	1.4
181.10094	2.7
183.11630	3.1
185.09605	1.6
185.13264	3.8
187.11130	2.1
187.14796	4.2
189.11200	7.9
189.12743	2.2
193.10080	1.6
193.15906	1.9
195.11708	2.4
195.13680	1.2
197.13277	2.6
199.11133	1.6
199.14847	2.0
209.13307	1.8
211.11171	1.6
211.14926	2.0
211.16768	2.2
221.13364	1.3
225.12769	1.5
227.12698	10.1
229.14296	29.3
233.15225	1.4
243.21205	1.1
245.13789	3.7
259.20544	2.6
261.22098	7.8
263.23694	1.8
275.23465	1.1
277.21616	1.9
289.21585	1.9
299.14911	3.8
301.21613	4.6
303.23212	2.2
315.23068	1.4
317.24567	1.2
319.22757	1.7
327.23260	2.3
333.24417	1.4
335.25806	15.2
337.27234	9.1
341.24799	2.1
345.24310	1.4
351.23199	4.5
353.24997	1.3
357.24319	1.7
359.25397	1.2
369.24228	9.0
371.16904	3.7
371.25494	1.7
373.18552	8.3
387.25296	4.3
405.26239	2.6
423.27591	1.6
443.27783	3.4
461.28925	4.3
479.29871	3.4
489.35510	9.5
507.36395	3.0
547.36237	1.2
559.36316	2.2
573.37433	1.4
597.37750	4.9
603.38806	1.5
615.38293	6.1
633.39813	31.9
634.40308	2.0
651.40735	27.8
652.41089	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	651.4086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	2.9
55.05497	22.1
57.03433	13.5
57.07059	4.2
59.04985	2.6
65.03918	3.9
67.05492	100.0
69.03421	25.6
69.07050	16.5
71.04964	5.8
79.05478	31.3
81.03403	46.6
81.07043	50.4
83.04967	14.7
83.08603	11.8
85.02877	5.4
85.06524	5.8
91.05456	29.8
93.07023	34.8
95.04964	10.0
95.08580	39.6
97.02893	11.0
97.06492	3.6
97.10143	11.1
98.21521	4.8
99.04413	4.1
99.08014	2.5
103.05446	2.6
105.07021	17.7
107.04916	4.3
107.08582	23.1
109.02856	7.7
109.06489	5.3
109.10130	67.2
111.04392	7.1
111.08050	3.8
117.07034	10.9
119.08546	25.0
121.06459	4.1
121.10128	13.1
123.04474	2.2
123.08039	6.6
123.11684	6.1
125.09618	8.7
127.03876	5.5
129.05438	8.5
129.06995	6.2
131.08524	13.8
133.06468	4.2
133.10063	14.4
135.08028	3.4
135.11659	8.1
137.09581	6.6
143.08536	7.9
145.10056	12.6
147.07970	2.3
147.11678	10.5
147.57932	1.9
149.09605	5.0
149.13216	4.1
151.07405	2.1
153.12657	2.4
155.08539	3.3
155.10605	2.4
157.10083	5.2
159.08049	2.6
159.11650	10.7
161.05959	2.2
161.09514	3.4
161.13248	5.4
163.11124	2.8
163.14799	2.4
166.38226	2.0
169.10078	5.9
171.11638	6.9
173.09627	2.4
173.10300	2.5
173.11678	18.7
173.13168	5.8
175.11171	3.3
175.14738	3.1
181.10005	1.9
183.11676	3.5
185.09558	2.7
185.13181	3.8
187.14804	3.0
189.11176	6.6
190.55373	1.9
191.10675	2.1
197.13271	3.1
199.14708	2.8
201.16447	2.1
211.13054	2.7
227.12726	12.3
229.14276	44.4
245.13664	3.1
261.22134	4.2
299.14771	3.0
301.21512	4.3
303.23288	3.3
315.23184	3.8
319.22601	2.5
335.25806	13.1
337.27252	7.7
345.24124	3.7
351.22894	4.5
369.24066	12.5
371.16693	4.8
371.25711	2.7
373.18433	7.5
387.25266	10.5
405.26273	3.1
419.99063	2.1
443.27936	5.6
461.28741	5.8
479.29922	3.5
487.34552	2.5
489.35452	8.8
597.37335	7.1
615.38672	9.2
633.39911	34.6
634.39954	4.1
651.40637	65.6
652.40741	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
62.08008	0.6
66.24004	0.6
67.05489	0.8
70.96719	1.5
73.76794	0.6
76.25060	0.6
80.58048	0.6
84.08073	0.6
87.05564	0.6
94.06522	1.1
106.06525	2.2
110.06000	0.8
120.08054	1.0
122.06013	1.7
124.07569	13.0
136.07561	11.4
146.06000	3.6
146.09615	2.5
148.07562	5.4
152.07014	1.7
154.04985	0.7
162.05464	1.0
164.07045	23.7
166.08618	22.5
172.03912	2.8
173.04710	0.8
174.05482	3.1
174.09103	0.7
176.07010	7.6
190.04948	1.2
191.05727	0.9
192.06560	1.1
204.06534	3.0
210.11400	1.2
211.08618	0.9
211.12357	1.0
218.08109	1.1
221.10696	1.2
222.11421	1.0
223.12254	1.8
225.10376	0.8
225.13754	0.6
227.11795	0.9
235.08646	1.3
235.12306	2.2
236.13126	1.5
237.10136	6.8
237.13727	3.0
238.10866	4.0
239.11736	8.1
240.12395	0.7
243.11345	1.1
245.12805	1.7
246.07614	1.0
247.12270	0.7
248.09467	2.8
249.10136	5.6
249.13870	0.8
250.10927	5.5
251.11790	10.6
252.12546	1.7
253.13313	4.2
255.11375	1.0
262.11142	0.9
263.11728	21.7
263.14456	1.1
264.08945	2.1
264.12430	4.1
265.09753	6.9
265.13321	35.7
266.10788	0.9
266.14148	1.7
267.11215	2.8
269.12766	4.1
271.10773	1.0
271.14359	4.6
277.09720	7.6
277.12927	1.2
278.10440	2.6
279.11243	51.1
280.12073	3.8
280.14838	0.6
281.12881	3.7
282.13541	1.4
283.10715	1.8
283.14297	1.8
285.12408	1.0
287.13809	2.2
291.11273	8.6
292.11795	3.1
293.12802	8.6
294.13531	0.8
295.10776	6.5
295.13947	1.1
296.11591	1.7
297.12283	26.1
298.12997	2.1
299.13794	0.9
305.14816	2.0
309.12277	57.3
310.09491	1.4
310.13077	25.6
311.10168	1.4
311.13837	28.3
312.14590	6.2
313.15369	3.0
315.13232	1.3
319.10724	8.0
320.11200	1.1
321.12241	2.3
323.16187	2.9
324.10883	1.1
325.11725	1.8
329.15015	1.2
331.16711	1.1
337.11765	100.0
338.12537	33.8
339.13333	20.3
340.13989	1.0
345.14474	0.8
355.12839	0.7
369.14389	29.4
370.15195	7.9
371.16013	12.3
374.14960	1.1
384.13159	0.8
390.18079	0.9
398.14874	1.2
399.15817	2.1
400.16568	2.7
401.13348	4.6
416.15793	1.2
418.17426	1.2
422.20963	1.0
434.16534	1.6
436.22235	53.0
437.22394	2.1
450.20209	0.9
458.17422	3.0
459.17700	1.2
462.20184	56.3
463.20364	2.5
464.21677	0.7
476.17899	3.3
480.21268	11.1
494.22916	70.9
495.23685	3.4
526.21344	0.8
559.25476	4.0
575.28619	1.3
583.25574	9.2
591.28113	1.6
601.26392	12.8
615.27942	1.2
619.27527	32.1
620.27625	1.2
633.28711	1.2
651.30231	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57026	0.7
53.03929	1.1
55.05479	0.8
55.15033	0.8
55.80302	0.8
57.03419	0.7
60.23079	0.8
67.05476	2.0
69.03420	2.0
69.07049	1.4
69.17801	4.0
69.18222	5.4
70.06583	2.0
71.25410	0.8
73.02906	0.8
79.05481	2.5
81.03413	1.5
81.07040	3.2
83.04975	1.5
84.04453	0.9
84.08124	1.5
85.02877	2.5
85.53459	0.9
86.09637	1.1
87.04453	1.2
91.05462	3.0
92.85040	0.7
93.07024	4.1
94.06529	0.9
95.04938	1.7
95.08593	2.9
96.04475	0.9
98.20728	1.9
105.06989	2.0
106.06536	2.7
107.08578	2.7
108.08113	1.5
109.10160	1.6
110.06013	1.9
111.04433	0.9
118.06391	0.8
119.08534	1.8
120.08073	1.6
121.05197	0.9
121.10115	2.2
122.06013	3.3
123.11663	1.2
124.07573	18.6
127.03850	1.2
130.08603	1.7
131.04866	1.7
133.10126	1.6
134.06010	1.8
135.11671	1.1
136.07549	19.7
137.05986	2.2
140.06999	3.1
146.05989	5.2
146.08128	0.8
147.07996	1.2
147.11705	1.2
148.07559	9.0
150.09142	2.1
152.07011	4.0
158.06001	1.0
159.08098	0.8
162.07623	3.8
162.09102	2.2
164.07034	44.9
166.08606	25.3
172.03903	2.2
173.04666	1.1
174.05461	6.7
176.07037	14.1
177.05377	1.1
180.10150	0.8
190.04999	3.1
191.05705	1.3
192.06493	1.4
204.06543	1.2
206.08174	1.1
208.09668	2.6
209.10120	2.3
210.11545	3.3
211.12321	1.9
213.10191	0.9
215.11768	1.2
221.10657	1.5
222.11420	1.2
223.12311	2.2
224.09608	1.3
224.13034	2.1
225.10173	2.4
227.08243	1.1
227.11702	2.5
235.12300	2.4
236.12924	1.7
237.10080	6.6
237.13817	2.3
238.10936	9.7
239.11731	15.8
241.09766	1.5
243.11188	2.1
245.12816	2.6
246.07507	1.1
248.09435	1.3
249.10118	4.3
250.10966	2.6
251.11711	14.0
252.12514	3.2
253.09956	0.9
253.13263	5.7
255.11223	1.0
257.05606	0.9
262.10892	1.0
263.11713	10.5
264.12482	2.2
265.09744	3.8
265.13315	22.8
266.10376	2.3
266.14059	2.5
267.11279	2.7
268.12119	1.1
269.12741	9.3
270.13556	1.2
271.11270	1.4
271.14307	9.3
275.11719	1.5
277.09653	3.1
277.13336	2.5
278.10382	3.8
279.11218	71.3
280.11847	5.5
281.12772	3.6
282.13583	1.5
283.10739	2.8
283.14386	4.1
284.11551	1.7
285.12180	2.1
287.10199	2.5
287.13858	4.8
288.10504	2.0
289.10709	1.3
291.11118	4.9
292.11951	1.3
293.12744	10.5
294.13467	2.0
295.10742	4.3
295.14117	1.5
296.11612	2.3
297.12268	39.6
298.12958	3.6
299.13608	1.8
301.11890	1.3
305.14676	4.1
309.12253	29.4
310.12988	13.7
311.13821	58.4
312.11252	1.4
312.14584	12.9
313.11929	1.7
313.15408	7.4
315.13370	3.5
319.10800	3.3
321.12140	5.6
323.10107	1.4
324.10886	1.5
325.11722	1.6
331.16748	1.1
333.14587	1.0
337.11746	58.8
338.12469	20.6
339.13321	49.2
339.17438	2.0
340.13889	2.6
347.15848	1.0
355.12799	1.2
357.14719	2.0
358.15399	2.0
369.14352	7.4
370.15118	2.4
371.16028	11.3
373.13873	1.9
374.14938	2.4
381.16956	1.0
384.13434	0.9
386.14761	1.9
388.16141	1.7
390.17984	1.6
398.15057	2.1
399.15674	3.3
400.16550	4.7
401.13287	5.7
414.18051	1.6
416.15878	3.5
417.16599	2.7
418.17197	1.5
422.20685	1.1
430.17691	1.0
432.19135	1.2
434.16272	3.9
436.22244	100.0
437.22427	2.4
448.18716	1.2
450.20132	2.1
458.16977	7.1
459.17389	2.0
460.18478	1.0
462.20074	31.4
463.20560	1.6
464.21695	1.4
476.17941	6.5
477.18414	1.3
478.19186	1.0
480.21155	10.9
494.23630	16.1
495.19791	2.4
496.19901	2.4
510.21829	2.3
527.22076	2.0
528.22101	5.0
557.27466	2.0
559.25378	3.8
575.28735	2.6
583.25409	10.1
591.27643	1.1
601.26410	24.6
619.27460	92.4
620.27460	3.5
633.28113	1.1
651.30200	11.0
652.29199	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
59.11744	0.2
67.05463	0.5
69.03396	0.2
69.07017	0.5
70.06544	0.4
70.40381	0.8
79.05446	0.5
81.03349	0.2
81.07005	0.8
83.27548	0.2
84.08080	0.9
85.02862	0.4
86.09656	0.2
91.05418	0.6
93.06979	0.4
94.06520	0.5
95.04939	0.2
95.08554	0.3
96.08100	0.3
105.06988	0.6
106.06467	0.7
106.07142	0.2
107.08546	0.4
108.08068	0.4
109.10062	0.3
110.05943	0.3
115.17851	0.2
119.08529	0.5
120.04424	0.3
120.08050	0.5
121.10077	0.4
122.05967	0.7
123.07932	0.2
124.06691	0.3
124.07568	5.4
130.08554	0.6
131.04811	0.3
134.05930	0.8
136.07550	5.6
137.05898	0.3
138.09181	0.3
140.07001	0.7
144.07909	0.2
145.10066	0.2
146.05995	1.8
146.09586	0.7
148.07570	1.3
150.09094	0.3
152.07054	1.1
154.04875	0.5
162.05411	0.5
162.07610	0.3
162.09036	0.6
164.07031	10.2
164.12614	0.2
166.08604	5.5
167.07057	0.2
172.03883	1.8
174.05515	1.4
176.07001	1.8
178.08553	0.2
179.06856	0.2
190.04927	0.5
191.05704	0.3
197.10518	0.2
204.06525	4.0
205.06784	0.3
206.08116	1.8
208.09619	0.6
209.07875	0.2
209.10649	0.3
210.11440	1.8
211.08591	0.2
211.12238	0.5
214.10860	0.2
218.08119	0.4
222.11455	0.9
223.12119	1.0
224.09509	0.3
224.13084	0.8
225.10141	0.8
225.13713	0.3
227.11685	0.7
235.08577	0.9
235.12181	1.2
236.09224	0.3
236.12952	0.3
237.10150	3.7
237.13692	1.3
238.10941	1.8
239.11732	2.9
241.13382	0.3
243.11221	0.5
245.12875	0.2
247.12193	0.6
248.09302	2.1
249.10194	4.0
249.13199	0.2
249.13721	0.2
250.10921	2.8
251.11713	5.6
252.12448	0.8
253.09610	0.5
253.13226	1.0
255.11194	0.3
262.11005	0.4
263.11725	13.9
264.09225	0.4
264.12506	3.0
265.09680	4.6
265.13269	14.5
266.10254	0.7
266.13873	1.1
267.11295	1.8
267.14267	0.3
268.11780	0.4
269.12759	2.5
271.10779	0.5
271.14319	1.1
273.12231	0.3
275.11658	0.3
277.09653	1.1
277.13306	0.3
278.10452	1.3
279.11212	18.6
280.11792	1.2
281.12811	1.5
282.13550	1.5
283.10770	0.5
283.14273	1.0
284.11401	0.4
285.08963	0.2
285.12180	0.6
287.13776	1.6
291.11227	4.8
292.11917	1.4
293.09665	0.3
293.12772	3.7
294.09973	0.5
294.13480	0.6
295.10672	2.6
296.11517	0.9
297.12262	12.5
298.12888	1.4
299.13757	0.9
303.13226	0.4
305.14951	0.6
306.15271	0.3
309.12250	36.8
310.13022	12.8
310.15805	0.2
311.13800	6.7
312.14468	0.7
313.11905	0.5
313.15387	0.6
315.13229	0.8
316.14404	0.3
319.10666	2.9
320.11215	0.3
321.12170	1.2
323.10226	0.2
323.15973	0.6
325.11798	0.7
327.13315	0.8
329.14960	1.5
331.16495	0.3
336.10608	0.3
337.11734	28.6
338.12531	12.6
339.13324	5.5
340.14252	0.4
341.15005	0.3
342.12173	0.2
342.15814	0.3
344.17468	0.3
345.14554	0.3
346.15140	0.3
351.13281	0.5
352.13782	0.3
354.11594	0.3
355.12531	0.6
356.13467	0.3
357.14508	0.4
358.15448	0.4
369.14355	38.3
370.15076	7.8
371.15948	6.5
372.16763	0.4
373.13852	0.4
374.14752	0.4
376.16379	0.3
386.14618	0.3
388.16376	0.3
390.18127	0.4
392.15451	0.4
398.15152	0.5
399.15784	1.2
400.16547	1.4
414.17941	0.3
416.15802	0.5
417.16510	0.8
418.17328	0.5
420.18845	0.2
434.20590	1.0
435.17102	0.3
436.22263	7.2
450.20114	0.3
458.17184	1.2
459.17755	0.6
462.13611	0.5
462.20108	7.6
476.18112	0.9
480.21225	1.2
494.22748	100.0
495.23541	1.8
496.19476	0.4
526.21729	0.4
527.22003	0.6
528.22644	1.1
557.27911	0.3
559.25293	1.8
583.25360	4.9
591.28082	0.6
601.26105	3.0
602.25659	0.3
615.28058	2.0
619.27380	7.0
633.29541	1.0
651.30017	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	650.461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02328	0.6
53.03923	1.2
55.05497	7.2
56.73392	0.5
57.03413	1.2
57.07064	4.1
60.13129	0.6
65.03921	1.3
67.05492	12.0
69.03410	1.8
69.07044	9.6
70.06568	1.1
71.04980	3.7
71.53240	1.0
78.90285	0.6
79.05481	13.4
81.03389	3.6
81.07039	20.2
83.04972	1.2
83.08599	4.3
85.02880	1.1
85.06525	0.9
85.10154	0.6
91.05460	12.8
91.11383	0.6
93.07023	24.9
95.04937	3.1
95.08586	32.0
97.02846	1.1
97.06461	1.3
97.10126	1.3
99.08068	6.8
103.05409	1.1
103.67498	0.6
105.07007	65.4
105.46635	0.6
106.07333	1.8
107.08569	35.0
109.06475	1.3
109.10134	7.8
113.09637	3.9
116.15221	0.7
117.06981	3.4
119.08553	68.1
120.08871	0.9
121.06432	0.8
121.10115	7.1
123.08085	1.0
123.11674	5.1
125.09607	1.5
128.06248	0.7
129.05457	0.6
129.06973	1.1
129.87268	0.6
130.08664	0.8
130.90109	0.5
131.08517	5.0
133.10101	80.3
134.10434	1.2
135.08089	0.9
135.11659	46.7
136.11984	1.0
137.09589	5.8
143.08493	1.1
145.10060	3.5
147.11684	7.5
149.09636	0.8
149.13235	4.2
157.10100	1.3
158.10832	1.0
159.11610	1.8
160.12387	0.6
161.13182	0.6
167.14394	0.7
173.11882	0.6
173.13208	3.1
174.13573	1.1
175.14787	100.0
176.15161	2.9
184.07330	1.9
185.13158	0.8
191.14256	1.0
193.15872	9.1
197.11708	1.1
209.13330	0.7
229.14305	2.6
240.07767	0.6
261.22034	1.2
315.23447	0.9
369.24200	1.4
387.25366	1.7
405.26511	1.6
469.39883	0.6
615.41345	0.8
633.39343	2.9
650.45313	1.2
651.40723	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.4615
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.0
55.05516	5.5
57.03436	1.2
57.07061	5.1
60.19163	1.4
65.08730	1.1
67.05499	10.7
69.03410	2.7
69.07060	9.1
69.22816	3.8
69.23240	9.3
71.04971	5.1
71.08604	3.0
76.36835	1.1
79.05479	16.0
81.03402	3.0
81.07050	17.2
83.04966	1.6
83.08609	5.5
85.06530	2.3
85.10180	1.4
89.05999	1.7
91.05468	14.2
93.07035	24.9
95.04951	3.9
95.08598	31.8
97.02872	1.5
97.10135	1.4
99.08080	7.3
105.07020	67.5
107.08583	34.3
109.06490	2.4
109.10118	6.0
113.09624	4.4
117.06986	3.4
119.08562	68.7
121.10129	7.7
123.08028	2.5
123.11687	7.7
131.08557	3.0
133.10118	84.4
134.10439	1.2
135.08049	1.4
135.11671	45.3
137.09602	8.5
142.08633	1.1
145.10074	2.8
147.11603	7.6
149.13211	4.9
173.13271	1.7
175.14804	100.0
176.15121	2.0
193.15839	9.5
209.15271	1.6
215.12802	4.2
229.63455	1.2
313.27420	2.4
369.24231	3.6
387.25275	4.1
405.26294	3.6
453.35709	1.6
559.22968	4.5
566.46106	1.3
587.22772	1.6
619.25842	5.4
619.35297	1.4
651.27533	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	651.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99293	0.8
53.03932	0.8
55.01839	0.9
55.05489	1.4
56.05026	1.4
58.06564	0.8
65.03929	1.1
67.05491	4.2
68.04996	2.3
69.03404	3.2
69.07059	9.5
70.02940	0.8
70.06229	1.2
70.06577	8.8
70.62599	2.2
71.04964	1.6
72.08134	6.0
73.02875	1.1
74.06055	1.0
75.43005	0.7
76.02210	1.1
79.05459	2.6
80.05003	2.0
81.03388	2.8
81.07037	2.6
82.06541	3.0
83.04958	1.2
84.04477	2.4
84.08126	16.1
85.02894	3.6
85.06535	0.9
86.06064	1.7
86.09694	12.2
87.04437	1.6
88.03990	0.9
89.06002	2.1
91.05452	4.2
93.06998	5.0
94.06548	17.1
95.04935	3.0
95.08569	1.8
97.02842	2.0
97.06496	2.2
97.66926	0.8
98.06035	1.2
100.07600	2.1
103.05466	1.1
105.07021	3.6
106.06461	0.8
107.04893	1.6
107.08551	2.4
108.08081	1.7
109.02880	1.3
109.06461	2.0
109.10135	1.6
110.06012	1.8
110.07145	2.0
112.07597	5.1
113.05928	1.0
117.05698	0.9
117.07047	1.9
119.04943	1.0
119.08547	2.7
120.04424	1.3
120.08076	5.3
121.06474	1.0
121.10081	2.0
122.06001	51.3
123.04387	2.8
124.07542	2.6
125.05962	0.8
126.05542	1.2
127.03885	1.7
128.07027	1.1
129.10199	6.4
130.06491	1.4
130.08615	13.0
131.04875	1.3
133.08571	1.2
133.10161	1.4
134.05963	1.2
135.07982	1.8
136.07553	4.4
137.05933	3.5
137.07915	0.8
137.09532	0.8
138.05473	1.4
140.07034	80.5
141.07341	0.9
144.04433	1.3
145.02782	1.6
145.06317	0.9
145.10062	1.3
146.05997	9.1
146.08076	6.9
146.09200	0.9
146.09604	0.8
147.04391	1.6
148.07538	72.4
149.07841	1.3
149.09579	1.3
150.05513	0.8
150.09134	1.0
151.03857	1.2
151.07491	1.3
152.07053	1.4
153.05374	1.6
157.06519	1.1
159.09154	1.2
160.07516	0.9
161.05917	1.4
161.09572	1.5
162.05438	1.7
162.08922	1.0
163.03880	1.6
163.07468	0.9
163.11111	1.6
164.07062	1.3
165.09033	1.5
166.08592	2.3
167.07018	5.0
168.06555	1.0
172.03931	6.3
174.05457	7.7
175.04024	1.0
176.07048	1.6
177.05434	2.5
178.04909	0.8
179.06996	1.1
181.04897	3.3
184.07440	0.9
189.08969	1.1
190.04932	6.0
191.05692	2.6
197.10690	1.6
198.09155	1.6
199.08611	1.1
201.10167	1.8
201.12163	0.8
204.06502	10.5
205.06856	0.9
206.04369	1.1
206.08041	4.7
207.06424	1.9
208.09633	1.3
211.12335	0.9
213.10168	2.0
215.11938	3.5
215.13643	1.0
216.10242	1.3
219.10086	1.3
225.10229	1.2
226.08652	0.9
227.11717	1.4
228.08669	0.9
229.09650	3.5
239.11845	2.3
241.09642	2.0
241.13322	1.4
243.11261	13.9
249.11018	0.9
254.13333	0.8
255.11186	1.7
257.12949	1.1
259.10629	2.3
260.11096	1.3
261.12335	1.9
267.11227	2.5
269.12656	0.8
270.10117	0.8
271.10785	5.0
273.12244	2.6
279.13580	1.2
283.10635	2.4
285.12286	7.0
287.13840	100.0
288.14157	3.1
289.11700	3.6
295.10678	1.3
297.11923	0.8
301.11697	2.9
302.12598	1.3
303.13324	49.7
304.13992	2.9
305.15012	5.0
307.12903	1.3
313.11771	11.7
318.15964	2.3
319.13101	1.3
319.16577	1.7
331.13025	6.1
342.15720	0.8
344.13513	0.9
345.14410	9.2
346.15265	2.6
347.16196	4.3
355.12762	1.4
358.15872	0.9
359.12631	1.3
360.16937	3.1
363.15594	1.4
372.13260	1.2
372.17517	0.9
374.14844	1.3
378.18033	1.8
379.18729	1.1
386.14832	2.3
387.15634	1.1
388.16437	2.1
389.17029	1.4
402.18091	1.4
404.15903	1.0
406.17978	4.3
408.19049	1.6
414.14410	1.7
415.15176	3.0
416.15933	3.4
430.17520	2.5
433.16309	1.0
434.16913	1.7
446.16843	1.0
448.18530	9.3
449.19321	4.0
468.21191	1.1
474.16336	2.1
475.17181	1.7
494.19135	1.2
505.09821	0.9
528.40271	0.7
571.25201	0.9
589.26398	25.8
590.26685	1.2
601.22900	1.8
607.27148	1.5
615.24304	11.7
619.23798	2.7
633.24945	2.3
651.28101	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	650.4615
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.5
53.03937	1.1
55.01850	0.9
55.05499	4.1
57.03418	1.1
57.07062	0.9
59.04998	0.5
60.85713	0.2
65.03936	0.7
67.05494	11.4
69.03079	0.4
69.03420	5.1
69.07054	5.1
71.01349	0.3
71.04978	2.5
71.08640	0.3
71.23956	0.3
72.76818	0.2
74.71617	0.3
77.03882	0.4
79.05479	7.9
81.03407	6.5
81.07043	15.8
83.04958	1.2
83.08600	2.3
84.08108	0.3
85.02892	3.0
85.06512	0.6
85.10170	0.3
86.09682	0.8
87.04461	0.5
91.05462	8.9
93.07028	13.6
94.07317	0.3
95.04931	2.0
95.08591	17.3
97.02884	3.1
97.06519	1.0
97.10137	0.8
99.04451	1.2
99.08078	4.4
103.03896	0.4
103.05462	0.6
105.04526	0.3
105.07017	12.6
107.04918	0.8
107.08576	14.1
108.04446	0.7
109.02873	2.1
109.06496	1.2
109.09458	0.5
109.10145	5.3
111.04410	1.4
111.08044	0.8
111.08768	0.3
113.09630	1.5
115.03925	0.5
115.05459	1.0
117.06992	3.9
119.08559	55.4
120.08900	0.8
121.06485	0.9
121.10121	5.6
121.10924	0.5
123.08038	0.8
123.11692	5.3
124.99972	0.6
125.05970	0.3
125.09596	0.7
127.03925	1.6
127.08392	0.3
129.05417	0.3
129.06987	2.4
130.08600	0.6
131.08548	5.0
133.10106	100.0
134.10446	1.8
135.08070	0.8
135.11662	18.6
136.11981	0.4
137.09628	1.4
141.06972	0.5
143.08542	1.8
145.04988	0.3
145.06465	0.6
145.10089	4.5
146.10896	0.4
147.08041	0.5
147.11667	5.1
149.09587	0.5
149.13200	1.8
150.49706	0.3
151.07480	0.3
151.11121	0.5
153.09027	0.3
155.08548	0.9
157.06384	0.4
157.10092	1.8
159.07982	0.5
159.11656	3.2
160.12399	0.5
161.09641	0.3
161.13258	1.6
163.14796	0.5
166.07768	0.3
167.08464	0.5
169.10127	1.1
171.08006	0.4
171.11665	1.7
173.13206	2.9
175.14792	86.5
176.15192	1.7
177.12686	0.3
181.09972	0.6
183.11653	1.2
184.07320	2.5
185.09689	0.3
185.13208	1.1
187.11171	0.4
187.14778	1.1
189.12668	0.7
191.10631	0.2
191.14246	0.4
193.15849	20.2
197.09608	0.3
197.13257	1.0
199.14798	0.4
201.12546	0.3
201.16289	0.3
203.14265	0.5
205.15865	0.4
209.13260	0.6
209.15387	0.3
211.15004	0.7
211.16882	15.1
213.12720	0.6
215.14313	0.4
221.15317	0.3
233.22371	0.3
241.19402	0.5
243.20924	0.5
259.20490	1.1
261.22104	1.9
271.20236	0.4
273.18488	0.3
273.22128	0.7
275.23730	0.4
277.14478	0.6
277.21533	1.0
285.21960	1.1
287.19922	0.3
289.21506	0.7
291.23087	0.9
297.21631	0.3
301.21445	1.2
303.23120	2.8
313.21552	0.4
315.23050	0.4
319.22528	0.5
323.23447	0.3
327.23053	1.0
331.22589	0.4
341.24805	1.5
345.24106	1.0
351.23013	1.9
357.24213	0.5
359.25668	0.4
369.24203	4.9
387.25238	5.6
405.21298	0.3
405.26312	5.8
423.27319	1.8
650.42700	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.4295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.7
54.03475	2.1
55.05490	11.0
57.07061	7.1
59.04985	5.2
61.75611	1.9
64.09682	2.1
64.26550	1.9
67.05496	23.2
69.03423	10.7
69.07051	11.9
71.04970	5.5
71.08624	3.5
79.05484	22.3
81.03399	9.2
81.07044	29.5
83.04978	13.6
83.08593	6.9
85.02878	7.4
85.06506	2.2
85.10191	2.9
91.05463	21.2
92.83665	2.1
93.07030	31.4
95.04951	7.2
95.08587	38.4
96.08920	2.3
97.02846	2.4
97.06538	4.3
99.08086	11.5
105.07012	25.9
107.04960	3.3
107.08580	55.2
107.09307	3.8
109.02872	4.1
109.06512	14.5
109.10146	22.3
111.04422	3.8
111.08092	4.6
113.09622	2.9
115.05373	1.9
117.06998	7.8
119.08551	18.2
121.06478	5.8
121.10126	53.2
123.08064	8.6
123.11672	6.4
124.82526	1.8
125.09605	9.9
127.03876	4.0
129.07005	4.3
129.72031	2.3
130.08632	2.6
131.08551	21.6
133.10092	40.8
134.10480	2.4
135.08026	19.6
135.11653	15.8
137.09596	8.3
137.13286	6.1
139.11110	3.6
143.08531	5.7
145.10107	14.8
147.08131	3.0
147.11655	34.2
149.09593	33.3
149.13246	27.1
151.11157	52.5
153.09126	2.7
157.10114	4.6
158.10907	6.0
159.11664	6.1
161.09528	2.2
161.13248	4.9
163.14792	16.1
165.12715	22.1
167.14270	2.5
171.11641	3.3
173.13237	45.3
175.14746	2.2
179.14360	2.2
183.11662	2.0
187.14630	2.5
191.14273	100.0
192.14670	3.7
209.15320	52.3
227.16325	10.9
303.23026	2.8
331.26309	3.6
341.24631	2.8
369.24258	5.6
387.25153	6.6
405.26178	4.0
515.17615	3.6
595.38055	2.1
617.25153	3.3
649.26990	4.0
649.42859	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.4298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03695	0.6
53.03936	2.0
55.01852	1.1
55.05272	0.8
55.05505	10.6
56.24039	0.5
57.03428	5.6
57.07056	2.7
59.04980	2.2
61.02917	0.5
65.03928	1.5
67.05497	16.1
69.03419	7.2
69.07054	8.9
71.04976	6.6
71.53339	0.9
75.04464	0.9
75.34394	0.6
79.05479	12.7
81.03410	8.1
81.07040	23.4
83.04960	4.6
83.08604	10.4
85.02885	4.8
85.06526	3.5
85.10175	0.9
86.09687	2.0
87.04432	1.0
91.05466	13.8
93.07027	20.0
94.07327	0.7
95.04953	53.4
95.08591	16.8
97.02869	2.8
97.06514	22.0
97.10142	2.1
98.06883	0.7
99.04438	13.0
99.08061	3.7
105.07018	22.0
107.04948	1.7
107.08575	19.5
109.02827	1.6
109.06499	31.8
109.10134	11.9
111.04446	1.5
111.08057	5.6
113.05953	0.8
113.09605	1.8
113.75062	0.6
115.03938	0.8
115.05466	0.7
115.07536	2.0
117.06987	4.7
119.08570	15.3
121.06494	2.8
121.10126	19.6
123.04388	1.5
123.07202	1.0
123.08044	14.8
123.11700	4.3
124.99973	1.9
125.05982	1.1
125.09634	3.1
127.03909	2.6
127.07542	1.8
128.06181	0.7
129.06985	3.3
131.04897	0.6
131.08542	15.7
133.06491	0.9
133.10109	48.2
135.08034	8.6
135.11667	6.1
137.09622	1.6
137.13219	0.8
139.11140	3.5
141.06918	1.5
143.08543	3.2
145.06447	0.8
145.10097	8.1
147.08017	1.4
147.11662	27.7
149.09595	3.1
149.13252	6.5
150.10370	1.8
151.07489	1.7
151.11139	3.4
153.09084	38.4
153.12743	1.1
155.08527	1.3
157.10135	3.0
158.10878	2.0
159.08009	0.8
159.11670	3.2
161.13258	2.9
163.11134	1.5
163.14784	6.6
164.01636	0.6
164.41333	0.6
165.12730	16.1
167.14275	0.7
169.10049	1.3
171.10152	3.2
171.11668	2.8
173.09621	0.7
173.13235	22.2
175.11148	1.3
175.14804	1.6
177.16277	0.6
181.10008	0.7
183.11650	1.2
184.07347	6.3
185.09537	0.9
185.13234	1.5
189.12726	1.2
191.14276	50.1
192.14607	1.3
197.13214	0.7
199.11201	0.9
199.14877	1.1
201.16154	0.6
207.11903	0.6
207.13760	2.2
209.15332	100.0
210.15744	1.1
211.14545	0.7
225.14774	0.9
227.16377	57.7
228.16705	1.1
243.20567	0.6
259.20541	1.2
261.22076	1.8
271.20831	0.8
273.21979	0.8
277.21518	1.3
289.21506	0.9
291.23141	1.0
297.21906	0.7
301.21613	0.9
303.23129	1.6
305.86197	0.8
315.23206	1.5
317.17432	0.8
317.89084	0.6
327.22922	0.8
341.24698	1.4
345.24112	1.3
351.23056	2.2
369.24200	4.8
387.25211	4.7
405.26218	5.7
423.27206	1.1
539.97015	0.7
568.65314	0.7
649.38818	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.4294
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84550	0.6
53.03929	1.2
53.55607	0.6
55.01849	1.4
55.05499	4.7
57.03409	1.9
57.07043	2.1
58.60020	0.6
59.05001	1.2
65.03925	1.2
65.17793	0.5
66.61215	0.5
67.05489	13.4
69.03421	5.0
69.06711	1.0
69.07053	9.5
70.47765	0.9
71.01330	0.8
71.04978	12.4
79.05479	9.5
81.03404	8.1
81.06583	1.0
81.07039	18.5
83.04965	3.0
83.08598	3.7
84.08102	2.0
85.02891	3.5
85.06532	8.2
86.09680	1.3
87.04433	1.6
88.36829	0.6
89.06021	1.1
89.39667	0.5
91.05458	8.2
93.07024	21.0
93.60670	0.6
95.04948	65.5
95.08588	13.8
97.02857	3.4
97.06510	7.3
97.10137	0.8
98.20996	1.0
99.04439	20.5
99.08068	8.3
101.05977	0.8
105.07006	14.3
106.90326	0.6
107.04908	0.6
107.08577	21.3
109.02856	1.4
109.06495	8.8
109.10137	24.9
111.04472	0.8
111.08049	2.3
113.09577	1.0
115.05433	1.3
115.07545	10.3
117.07004	3.8
119.08549	9.3
121.06464	1.3
121.09328	0.8
121.10137	9.5
123.08045	2.3
123.11684	15.1
124.11922	0.6
125.05994	0.7
125.09605	2.2
125.41547	0.6
127.03901	1.6
127.07532	3.9
127.11161	1.7
129.06949	1.7
130.06805	0.6
130.08615	3.3
131.08528	11.2
133.10103	69.7
134.10416	1.1
135.08037	5.8
135.11652	5.1
137.09560	1.1
139.11111	4.1
143.08546	2.2
145.10077	6.5
147.08043	1.2
147.11617	5.0
149.09599	3.4
149.13226	9.5
151.07527	1.0
151.11154	16.5
153.09073	30.6
155.08492	1.1
157.10080	1.1
158.10873	3.3
159.11623	1.9
161.13239	1.5
163.14819	4.0
165.12732	0.8
167.14218	0.7
169.12196	11.7
171.10100	2.3
171.11583	1.2
173.13232	28.9
174.13670	0.7
175.14827	0.9
185.13258	0.6
189.12695	0.9
191.14267	47.7
199.14771	0.7
209.15323	100.0
210.15680	1.7
224.44408	0.6
227.14105	1.2
227.16367	26.2
231.08968	0.6
261.22086	2.2
265.23383	0.7
272.25610	0.6
276.98920	0.6
277.21683	0.7
279.12396	0.6
327.22992	0.8
369.24051	2.1
387.25278	1.8
405.26285	1.8
649.44672	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	649.4296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.3
53.51949	1.7
55.01849	5.0
55.05504	18.7
57.03417	6.5
57.07059	6.9
59.04979	5.2
65.03917	2.3
65.80200	1.5
67.05490	46.5
69.03412	17.0
69.07057	16.1
71.01347	1.6
71.04984	12.2
71.08617	3.1
79.05478	32.6
81.03409	20.2
81.07044	61.8
83.04988	14.1
83.08608	14.9
84.08147	4.7
85.02899	12.3
85.06538	6.7
85.10168	2.6
89.06008	3.8
91.05467	28.3
93.07026	39.5
95.04954	34.1
95.08594	45.4
97.02886	12.0
97.06506	18.7
97.10174	6.5
98.20759	5.4
98.21487	5.3
99.04443	7.6
99.08085	7.6
105.07021	42.7
107.04942	3.5
107.08582	43.4
109.02878	5.5
109.06500	46.2
109.10140	34.9
111.04429	6.0
111.08036	8.2
113.05972	2.0
113.09611	2.8
115.05393	3.3
115.07561	6.6
117.07006	12.6
119.08559	35.8
121.06496	5.6
121.10128	46.4
123.04420	2.5
123.08045	26.0
123.11686	15.7
125.05977	2.9
125.09628	7.0
127.03910	10.1
127.07571	2.6
128.06236	2.8
129.05486	2.9
129.06987	6.9
130.08630	7.6
131.08534	30.8
133.06516	2.9
133.10103	90.4
135.08054	13.4
135.11664	15.0
137.05917	2.2
137.09605	3.9
137.13278	3.1
139.07539	3.3
139.11165	7.7
142.07755	2.5
143.08562	9.9
145.10110	24.2
147.04420	2.0
147.11664	39.1
149.09621	7.4
149.13210	13.4
151.07513	37.2
151.11191	5.6
153.09084	19.9
155.08598	3.0
157.10104	5.9
158.10899	4.1
159.11671	14.0
161.09610	1.9
161.13306	8.6
163.11151	29.3
163.14822	9.0
165.09084	2.0
165.12727	12.4
167.14313	5.6
169.10043	2.8
171.10182	5.3
171.11719	7.1
173.13235	43.6
174.13617	1.8
175.11241	2.8
175.14822	6.7
177.12706	1.8
181.12230	6.1
183.11662	2.6
185.09628	1.9
185.13373	4.4
187.14864	2.6
189.12752	5.9
191.14276	70.6
199.11018	1.8
199.14861	2.6
201.16396	2.3
207.13765	34.6
209.15326	100.0
225.14832	4.9
227.16382	60.1
235.17094	1.8
259.20667	3.2
261.22125	8.3
263.23633	3.3
277.21637	3.6
291.23303	2.7
301.21490	2.2
303.23306	4.3
341.24841	2.9
351.23264	3.4
369.24136	10.5
371.25851	2.4
382.28574	1.9
387.25211	9.5
405.26294	8.6
407.28015	2.8
423.27451	3.4
425.29224	2.4
469.37454	2.3
489.22324	1.9
613.40973	4.9
631.41913	5.8
649.44836	77.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3007
Annotation	Gnidilatidin
Peak:m/z	Relative Intensity
57.07056	0.7
66.55852	0.5
67.05483	0.9
69.90137	2.6
71.08623	0.6
78.34082	0.5
81.07066	1.0
93.07010	0.6
95.08591	0.7
98.20836	0.7
109.10123	0.5
133.10106	0.5
133.79387	0.5
197.42159	0.5
288.58768	0.5
288.68405	0.5
304.81418	0.5
314.01566	0.5
403.19223	2.3
404.19757	0.6
405.20508	1.2
415.19418	0.7
416.20166	1.0
417.20901	2.7
418.21457	1.4
419.22232	1.4
430.17917	1.5
431.18631	3.7
432.18726	1.0
433.24365	2.4
444.19092	2.4
445.19943	5.9
446.20792	1.5
447.21762	1.6
458.16980	0.8
459.22162	6.0
460.22855	3.8
461.23453	2.8
472.18765	0.8
473.19308	5.8
474.24814	0.6
487.20908	2.9
489.22778	1.7
501.22931	1.0
502.23877	1.9
503.24539	4.9
515.24353	1.1
519.24304	1.7
531.23798	1.4
532.23865	0.6
533.22070	1.0
545.22046	0.6
546.26599	0.7
547.27014	9.9
548.27539	0.6
557.25854	0.7
560.24066	0.6
561.24335	2.4
575.26154	0.9
589.28040	21.6
590.28223	1.4
591.25220	0.7
607.28748	2.4
617.26825	0.9
620.26086	1.0
649.30072	100.0
650.30347	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	649.391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.3
55.01863	0.5
55.05494	0.9
56.04780	0.2
56.05026	2.3
57.03420	0.5
57.07068	0.3
57.80826	0.1
60.74836	0.2
61.02909	0.4
62.86673	0.1
67.05495	1.1
69.03415	1.4
69.07067	0.9
69.41703	1.4
70.06583	0.5
71.04969	0.4
71.08625	0.2
72.04516	0.2
73.02897	0.5
75.04478	0.1
79.05472	0.7
81.03399	1.1
81.07043	1.3
82.06579	0.5
83.04955	0.3
83.08614	0.6
84.08127	100.0
85.02883	2.4
85.06528	0.4
85.07951	0.2
85.08456	0.7
86.09680	0.3
87.00804	0.5
89.06004	0.3
91.05463	1.0
93.07013	1.7
94.06544	0.3
95.04935	0.8
95.08588	1.1
97.02881	0.9
97.06506	0.3
97.10146	0.4
99.04456	0.5
101.10728	0.3
103.03970	0.2
105.01879	0.3
105.07008	0.9
107.08577	0.6
108.08060	0.2
109.02850	0.8
109.06507	0.2
109.10133	0.5
110.06028	0.4
111.04410	0.3
111.08068	0.5
112.07587	0.3
115.03948	0.2
117.06978	0.3
119.08559	0.8
120.08057	0.3
121.06478	0.4
121.10090	1.0
122.06012	0.6
123.08057	0.4
123.11703	0.4
124.07618	0.4
126.09111	0.2
127.03879	1.4
128.07065	1.3
129.01787	0.2
129.06998	0.2
129.10211	2.3
130.08617	9.0
131.04901	0.2
131.08556	0.2
133.10123	0.6
135.08051	0.2
135.11659	0.4
136.06215	0.2
136.07570	0.5
137.05934	0.3
137.09659	0.2
138.05440	0.2
140.05893	0.2
140.07014	0.6
142.07645	0.2
145.02859	0.2
145.04996	0.2
145.10106	0.4
146.06052	0.3
147.04393	0.2
147.08031	0.2
147.11252	3.9
148.07539	0.2
149.09636	0.4
150.05469	0.2
150.09117	0.2
154.08574	0.2
157.10107	0.2
159.11681	0.3
161.09642	0.2
162.05521	0.2
162.07611	1.1
162.09128	0.7
163.11275	0.2
164.07047	0.3
165.09125	0.2
169.10127	0.2
172.03923	0.2
176.10661	0.5
177.05495	0.2
180.10120	0.8
190.08835	0.2
204.06578	0.5
205.06754	0.2
206.08139	0.2
207.06642	0.2
208.09654	1.7
209.09898	0.2
225.10216	0.2
227.08083	0.3
227.11864	0.2
237.10168	0.3
238.10944	0.2
239.11757	0.3
241.09767	0.4
243.11282	0.3
249.10251	0.3
251.07974	0.2
251.11868	0.4
253.09779	0.3
255.11209	0.2
259.10648	0.4
260.00851	0.2
263.11905	0.2
265.09644	0.2
265.13174	0.2
267.11362	0.2
271.13828	0.2
273.12463	0.2
277.09604	0.2
279.11115	0.3
283.10788	0.4
285.12231	0.4
287.10178	1.1
287.13354	0.3
288.14026	0.2
295.10788	0.2
297.12225	1.1
298.13037	0.3
309.12134	0.3
311.10254	0.3
313.11768	0.5
319.12924	0.3
320.29443	4.1
323.10056	0.3
329.11145	0.3
337.11572	0.2
338.30484	1.6
343.12668	0.2
344.13553	0.4
355.13007	0.2
358.15451	0.2
369.14850	0.2
373.13785	0.4
374.14462	0.3
383.32599	11.9
384.32785	0.3
386.14648	0.2
400.16025	0.2
401.33655	40.9
402.34247	0.8
416.15283	0.2
425.33890	0.4
429.34723	0.3
430.17368	0.3
438.20078	0.3
443.34885	0.4
446.16611	0.3
447.35779	0.4
448.18500	0.2
456.15494	0.2
458.16937	0.2
464.17984	0.2
473.33740	0.3
474.16440	0.6
475.16864	0.3
476.17172	0.3
477.18222	0.2
491.20078	0.2
491.34485	0.6
494.18411	0.4
500.16821	0.2
506.18976	1.3
507.18982	0.4
508.20914	1.1
512.19574	0.3
524.20026	0.7
525.20105	0.3
526.21802	2.4
527.22162	0.2
546.25916	0.2
571.25146	0.3
573.26874	0.2
581.22638	0.3
595.35352	0.6
599.24335	1.5
613.24835	0.3
613.36188	0.3
617.25171	1.2
631.26306	0.8
631.37213	0.4
649.28192	1.1
649.38690	2.6
650.27698	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02329	0.5
51.40169	0.5
53.03920	0.8
54.16822	0.5
54.23965	0.4
55.01836	0.6
56.83957	0.5
67.05471	1.1
69.07028	1.0
71.18297	0.9
79.05462	1.1
81.07028	0.7
88.09019	0.5
91.05474	4.3
93.07032	5.5
94.06551	2.7
95.04948	2.6
95.08575	0.9
106.06498	0.7
107.08538	0.6
108.08055	1.7
109.06468	0.9
109.37819	0.5
110.06016	1.0
111.08074	4.1
117.06976	1.0
119.08549	0.8
120.08041	0.8
121.06449	1.6
122.06009	5.2
124.07544	2.3
132.08081	1.1
134.06000	1.0
134.09650	4.5
135.08032	3.0
136.07556	8.3
137.05940	1.7
138.05443	1.1
138.09117	0.6
140.07097	4.0
143.08566	0.5
144.07938	0.9
145.06367	0.7
145.10109	0.6
146.05936	1.3
146.09566	0.9
147.06703	0.8
148.07576	2.9
150.09125	2.9
152.07010	1.7
152.10699	3.3
154.08614	6.1
158.06026	0.7
160.07530	2.0
162.09109	34.4
163.07504	2.3
163.09360	0.9
164.07076	3.1
166.08649	3.3
171.09187	2.4
172.03896	0.7
172.07545	0.9
173.10736	5.0
174.09090	2.0
176.07045	1.1
176.10603	0.6
178.08542	0.7
180.10173	29.6
181.93443	0.5
183.09077	0.8
184.07523	0.6
185.06931	0.6
190.04941	0.7
190.08611	6.3
196.07623	0.8
197.10616	0.7
198.09082	1.9
199.08640	4.0
200.07082	1.1
200.09293	1.1
201.10213	4.3
202.08505	1.0
204.06502	2.5
208.09653	72.5
209.10077	1.6
211.08539	0.8
212.09361	0.6
213.06714	0.7
213.10182	5.5
215.08122	4.4
215.11749	2.1
218.08058	1.5
219.08926	0.6
220.09663	1.9
221.10243	0.5
223.08548	1.0
225.10245	2.8
226.08548	1.7
226.11017	1.9
227.08109	11.4
227.11620	1.1
228.08731	1.9
229.09651	1.3
231.11089	0.7
235.12157	0.6
237.10193	2.1
238.10953	1.4
239.08115	0.8
239.11732	4.7
240.08932	0.9
241.09677	14.4
242.07983	0.6
243.11253	16.3
245.09189	4.2
246.07436	3.3
249.10147	1.1
251.08221	0.6
251.11775	1.6
252.08812	0.6
253.09746	1.9
253.13324	0.9
255.11368	0.8
257.09158	2.7
257.12064	0.5
259.10733	12.9
263.07794	0.7
263.11761	3.5
264.08743	1.6
264.12326	0.6
265.09756	3.4
265.13251	1.7
266.10446	0.6
267.07675	0.9
267.11243	3.5
269.09204	12.2
271.10626	0.7
271.14401	2.2
277.09518	1.1
279.11224	9.6
280.11926	0.8
281.09134	2.3
281.12665	0.7
282.13538	0.6
283.10757	2.3
285.08725	2.8
285.12244	1.9
286.09412	1.3
287.10211	100.0
288.10492	3.4
289.15543	1.1
291.11261	2.3
292.12106	0.7
293.09079	1.6
293.12631	1.1
295.10684	3.5
297.12302	7.3
298.13165	3.7
299.10547	0.6
299.13882	1.5
301.11716	0.8
303.13312	1.4
307.10709	0.8
309.08716	1.2
309.12207	6.2
310.12811	1.1
311.10168	2.8
311.13736	1.2
312.08414	1.0
313.11819	3.1
315.13409	0.8
319.12830	6.3
321.08670	0.8
321.12064	0.8
323.10309	0.7
323.13760	1.3
325.11752	2.0
327.13419	0.6
329.11276	1.4
331.13281	0.7
336.11075	1.2
337.11719	6.4
338.12509	1.2
339.09592	2.2
339.13370	5.2
341.11133	2.5
344.11029	0.8
347.12292	0.9
351.09680	0.6
353.11267	5.6
354.11884	0.8
355.12866	1.6
360.16684	0.6
361.13858	2.6
367.12970	1.0
368.13547	0.7
369.14499	2.3
370.15460	0.6
371.15994	3.5
373.13983	1.3
385.13788	0.9
387.15579	1.8
388.16370	0.8
404.16132	0.8
406.17755	0.6
410.17123	8.9
416.15900	0.9
430.17697	0.8
434.17139	1.2
442.19516	1.9
446.16690	0.7
448.18484	0.8
450.20148	2.0
458.16965	1.5
460.18607	5.4
461.18781	0.6
476.18039	7.6
477.17490	0.8
478.19702	1.2
492.21173	2.0
494.19141	64.3
495.19669	3.8
508.20776	4.0
512.20184	11.1
526.21765	99.0
527.22083	4.8
581.24243	0.8
599.24866	9.5
600.24152	1.0
617.25970	25.1
617.36176	1.2
618.26117	1.4
631.27563	1.1
649.28491	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	648.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63232	0.1
55.05498	0.2
56.05013	1.2
56.05245	0.1
67.05499	0.3
69.89924	0.2
69.90337	0.3
70.06552	0.1
71.04961	0.1
79.05473	0.1
81.07045	0.3
82.06577	0.1
83.08624	0.1
84.08127	51.1
84.43533	0.1
84.74825	0.1
85.08450	0.5
87.04453	0.1
88.12641	0.1
89.06006	0.1
89.55704	0.1
91.05445	0.1
93.07029	0.2
95.04939	0.1
95.08612	0.2
99.04446	0.2
105.07000	0.3
107.08588	0.2
109.06512	0.2
109.10127	0.1
119.08603	0.1
121.10140	0.2
123.08025	0.1
130.08614	100.0
131.08965	1.6
133.10135	0.1
147.11653	0.1
173.13170	0.1
207.13814	0.1
225.14780	0.2
226.15097	0.1
488.96048	0.1
501.38068	0.1
509.36017	0.1
636.71844	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	649.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05014	1.0
70.69223	1.3
73.61663	0.4
79.05475	1.3
81.07021	0.9
87.20542	0.4
94.06549	0.9
96.04552	0.5
96.08107	1.6
99.04408	0.5
106.06513	0.8
108.08106	0.7
110.17884	0.4
116.04965	0.6
118.06546	0.8
120.04436	0.5
120.08057	0.8
121.05250	0.8
122.05994	3.1
124.07563	43.3
125.07890	0.4
126.09154	0.5
134.06004	1.4
136.07588	0.6
144.04468	1.4
145.05380	0.4
146.05989	10.1
147.06700	0.7
148.07532	2.1
152.07059	1.6
160.07587	1.0
162.05455	1.3
163.06300	0.7
164.07147	0.7
166.08609	0.7
172.03909	13.2
172.05386	0.8
173.04677	4.1
174.05470	13.0
174.09125	0.6
175.06065	0.6
176.07043	8.0
178.08614	0.5
187.12282	1.1
188.06998	0.7
190.04990	1.8
191.05690	3.8
192.06560	1.6
197.07085	0.6
197.10728	0.6
198.09184	1.1
199.08659	1.6
200.09306	1.1
201.10353	0.8
204.06520	24.6
206.08081	7.4
211.08685	1.3
211.12251	0.8
212.09377	0.9
213.10144	3.0
214.10983	0.8
215.09953	0.6
215.11737	3.7
224.09517	0.6
225.10295	2.2
226.08650	1.1
226.10822	0.7
227.11789	1.2
229.09708	0.8
237.10248	1.7
238.10977	0.8
239.11789	1.9
241.09639	2.5
241.13445	1.2
243.11232	16.9
245.12885	1.3
249.10226	1.1
251.08231	0.5
251.11826	1.6
253.09624	0.6
254.10493	1.5
255.11301	1.5
256.12061	0.8
257.09146	0.6
257.12851	1.0
259.10880	0.5
263.08182	1.0
265.09671	2.3
266.10562	0.9
267.11176	0.9
268.00800	0.5
269.09363	2.0
269.12851	8.9
270.09955	0.7
271.11093	2.5
271.14154	3.3
272.11566	0.7
273.12283	0.6
277.09625	0.8
278.10458	0.6
279.11285	1.4
280.12161	0.6
281.09576	0.5
281.12933	0.7
283.10706	4.7
284.11334	1.8
285.09094	0.9
285.12274	16.0
287.10181	4.6
288.11212	0.7
293.09442	0.7
295.10583	0.8
297.12283	25.4
298.12717	1.4
299.10233	3.3
299.13892	1.3
300.11108	0.8
301.11612	2.2
302.12845	1.2
303.13327	53.0
304.13898	3.0
305.15137	0.6
311.13785	0.9
313.11969	1.5
314.13052	0.5
314.16458	0.6
315.13361	7.5
316.10779	1.6
316.14569	1.4
317.15195	0.9
318.15991	2.1
319.16821	2.0
323.10281	1.3
325.11853	0.9
327.13916	0.6
328.14563	0.7
329.11548	1.1
329.14905	13.6
330.12317	1.9
330.15674	1.3
331.13141	1.5
332.13885	1.1
332.17532	1.1
337.11710	0.6
342.12271	0.8
342.16092	1.1
343.13449	1.0
344.13745	3.1
345.14807	1.4
346.15460	4.0
347.16061	3.3
348.17200	0.8
354.12253	0.8
355.12878	0.9
356.13995	1.0
358.11865	1.0
358.15588	2.3
359.16522	0.6
360.17087	3.7
367.13199	0.6
368.14172	0.8
370.11896	1.8
370.15781	0.7
371.12613	2.2
372.13269	5.1
372.17377	0.7
373.13968	3.7
374.14758	3.7
376.16635	0.8
378.18268	1.0
381.10461	0.5
384.13077	1.0
385.14130	2.2
386.14844	7.7
387.15735	7.7
388.16467	5.7
390.13895	0.7
396.13446	0.9
398.15106	1.0
400.12488	0.9
400.17029	0.9
401.13208	0.8
401.17719	0.6
402.14359	1.3
402.18716	1.1
403.15359	0.8
404.15909	3.8
405.16904	2.5
406.17548	5.4
407.18445	0.6
414.14362	7.9
415.15173	15.6
416.15952	18.1
417.16406	1.4
418.17490	1.4
419.18301	0.7
428.16013	1.8
429.16660	1.1
430.17596	4.5
431.17969	0.8
432.15549	1.5
433.16074	4.4
434.17020	3.9
438.14276	0.8
446.17133	5.7
447.17746	2.0
456.15454	3.2
457.16147	1.0
458.16898	0.7
460.14746	0.6
474.16473	17.3
475.17288	10.5
476.17996	5.4
506.19186	3.6
507.19455	2.3
526.22034	0.6
555.25830	1.1
557.23798	2.7
581.23798	4.9
599.24878	100.0
600.25299	8.0
613.26666	0.6
617.25629	0.7
631.27515	6.3
632.28180	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	2.0
56.05016	1.5
57.07062	0.8
59.04979	0.9
64.23274	0.6
67.05497	3.1
68.87174	0.6
69.03403	2.0
69.07034	1.3
69.79699	1.6
69.80111	1.7
71.08598	0.8
79.05475	2.1
81.03392	1.2
81.07041	2.7
82.07339	0.9
83.04971	1.1
83.08614	1.0
84.08128	43.1
85.02876	0.9
85.06536	0.8
86.09705	1.2
87.04470	1.2
89.06024	1.7
91.05450	2.5
93.07024	3.7
95.04935	2.4
95.08588	2.7
95.43032	0.5
97.06506	0.7
97.10155	0.9
98.21443	1.1
99.04446	0.6
103.03934	1.1
105.07013	5.2
107.08565	3.4
109.06487	0.9
109.10117	1.7
119.08565	9.0
121.06480	0.7
121.10143	3.0
122.10479	0.9
123.08041	1.1
123.11650	0.8
129.06940	0.8
130.08617	100.0
131.08513	1.7
133.08592	0.7
133.10104	2.8
135.08044	1.4
135.11610	0.8
143.08513	1.0
145.10083	2.5
147.11667	8.4
149.09607	1.3
151.07471	0.7
152.07811	0.6
153.09084	0.8
158.10895	0.7
159.11771	0.9
163.11166	1.2
171.66193	0.7
173.13243	4.9
174.13541	0.8
177.11357	0.7
179.14227	1.1
184.07285	3.9
189.12630	0.8
191.14267	8.1
194.66998	0.5
199.31085	0.6
207.13757	2.1
208.14120	0.7
209.15256	3.3
225.14812	1.4
320.08496	0.6
320.13654	0.6
362.23001	0.7
481.03732	0.7
588.23279	0.7
648.43518	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	648.4455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.1
55.01853	0.7
55.05491	2.7
57.03416	0.8
57.07048	1.9
59.04987	0.5
63.53881	0.3
65.03931	0.8
67.05491	7.1
68.71411	0.3
69.03415	40.8
69.07053	5.9
70.03739	0.4
71.04978	2.9
75.04461	0.9
79.05477	5.5
81.03411	4.2
81.07035	10.1
83.04959	3.7
83.08602	2.1
85.02888	2.0
85.06532	2.4
87.04436	0.5
91.05453	5.2
93.07029	8.5
95.04942	1.8
95.08588	12.1
96.08085	0.4
97.02878	1.6
97.06509	4.2
97.10181	0.5
98.06057	0.4
99.04428	0.6
103.05398	0.4
105.07003	8.2
107.08571	15.0
107.09303	0.8
107.70666	0.3
109.02857	1.1
109.06490	5.1
109.10130	4.6
111.04399	0.7
111.08057	3.0
115.05460	0.7
117.07000	1.5
119.08556	6.7
121.06519	2.1
121.10121	12.0
123.08030	4.1
123.11679	7.0
124.07541	0.6
125.09603	19.4
127.03872	1.1
128.06230	0.4
129.05417	0.4
129.06969	1.4
131.08542	9.9
133.06418	0.4
133.10101	17.6
135.08031	11.1
135.11656	6.2
135.76451	0.3
137.09538	1.2
137.13206	0.5
139.40605	0.3
141.06915	0.3
142.08592	1.2
143.08548	1.9
144.09274	0.9
145.04921	0.6
145.06348	0.4
145.10100	5.2
147.08041	0.6
147.11665	4.8
149.09587	7.4
149.13223	4.2
151.07492	0.4
151.11151	1.1
153.09064	7.4
155.08450	0.4
157.10081	0.6
158.10875	4.0
159.07971	0.4
159.11644	1.6
161.09587	1.0
161.13216	1.0
163.11150	2.6
163.14784	5.1
165.12729	3.5
171.11588	0.9
173.13225	26.1
175.11171	0.4
175.14697	0.6
176.11919	1.1
183.11597	0.5
185.13301	0.7
191.14267	88.8
192.14592	1.4
199.62849	0.4
209.15320	100.0
210.15643	1.2
211.14725	0.4
219.47398	0.4
226.25980	0.4
250.18069	0.4
260.40662	0.4
261.22040	1.1
301.21625	0.7
303.23209	0.6
315.23105	0.6
320.53497	0.4
341.24643	0.6
351.23065	0.7
369.24124	1.7
387.25201	2.3
405.26077	2.1
648.43347	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.0
55.05502	11.8
57.03427	21.5
57.07058	1.9
59.04990	3.0
61.02913	7.3
65.03925	2.6
67.05492	83.3
69.03416	21.6
69.04465	0.9
69.07058	16.0
71.01350	2.4
71.04984	2.6
71.08597	1.0
71.53784	1.1
73.02904	42.6
74.02426	1.2
76.06025	0.9
79.05479	20.7
81.03380	4.4
81.07041	100.0
83.04972	1.7
83.08597	8.7
85.02888	29.8
85.06528	3.6
86.23907	0.9
87.04450	2.4
89.06011	1.1
91.03981	1.2
91.05453	12.0
93.07027	28.7
93.31233	1.2
95.04961	2.0
95.08588	84.5
97.02878	34.7
97.03512	1.6
97.06508	2.8
97.10155	4.8
99.04450	1.9
99.08068	2.0
105.04563	1.4
105.06989	9.9
107.08576	21.9
109.02876	2.5
109.06483	2.1
109.10136	53.8
110.06017	4.3
111.06380	1.2
111.08071	2.1
111.11705	3.1
113.09604	1.8
115.03908	22.9
117.07008	4.1
119.08565	10.2
121.06547	1.0
121.09212	1.2
121.10126	25.5
121.11015	1.6
123.08074	2.7
123.11684	32.2
125.09613	2.2
125.13268	1.1
127.03915	7.4
129.09097	1.2
130.08630	1.6
131.08539	12.6
133.04915	5.6
133.08589	1.3
133.10112	11.8
133.35876	0.9
135.08003	2.1
135.11664	19.4
137.09604	2.3
137.13237	15.4
139.11159	1.7
141.09186	1.1
145.04938	7.7
145.10094	10.4
147.11646	8.9
149.09581	2.8
149.13228	14.3
150.07613	1.6
151.11115	4.7
151.14771	6.3
153.12685	1.3
155.10551	1.2
157.12236	1.0
159.11664	10.2
161.13243	10.9
163.06018	2.7
163.11139	1.4
163.14803	12.1
165.12723	5.7
165.16423	2.7
167.10710	2.2
169.12236	1.6
171.13826	1.2
173.13234	12.0
175.14798	4.2
177.07840	1.0
177.12682	1.6
177.16315	4.8
179.14305	4.1
181.12190	2.7
181.16042	1.1
183.13843	1.2
187.14792	7.7
189.16222	1.3
191.14316	3.4
193.04976	1.1
195.13773	4.0
197.15379	1.6
201.16409	3.4
205.15919	3.0
209.15343	4.7
223.05971	2.6
223.16890	5.3
225.08662	4.2
226.08955	1.7
233.22726	2.8
233.26553	1.1
237.18439	1.6
241.07111	3.2
243.21054	32.3
244.21330	1.2
245.22943	1.2
261.22092	80.7
262.22369	2.2
263.23740	3.4
279.23132	44.9
295.10257	1.3
295.22449	1.0
319.26297	11.0
337.27313	74.7
338.27625	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	647.414
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.0
55.01852	1.7
55.05499	9.8
57.03414	2.3
57.07051	3.5
59.04982	3.6
59.73920	0.7
59.79801	0.7
60.09864	0.7
64.76630	0.7
65.03911	1.4
67.05492	19.8
69.03416	8.4
69.07059	7.8
71.04985	7.7
71.23898	1.1
71.24217	1.3
77.03933	1.0
79.05479	18.5
79.57773	0.7
81.03409	9.9
81.07040	28.4
83.04974	7.3
83.08604	7.0
85.02889	11.5
85.06523	3.2
87.04461	7.0
88.42210	0.8
91.05460	19.4
93.07030	25.3
95.04945	16.5
95.08588	21.7
97.02879	6.4
97.06515	10.1
97.10140	2.1
99.04427	8.6
99.08057	3.5
101.05991	2.0
103.03925	1.4
105.07008	25.2
107.04933	1.9
107.08571	66.8
108.08920	1.0
109.02847	3.7
109.06496	96.7
109.10139	19.1
110.06845	1.7
111.04421	3.4
111.08073	5.0
113.05965	1.6
113.09622	1.2
117.06992	6.1
119.06061	1.0
119.07700	0.9
119.08556	24.2
121.06475	2.8
121.10120	46.4
122.10426	1.0
123.04424	1.6
123.08044	51.6
123.11673	21.4
125.05961	2.6
125.09606	19.6
127.03883	3.3
127.07529	3.4
128.06181	0.9
129.05478	1.4
129.06985	4.3
131.08530	14.4
133.06459	3.2
133.10086	9.4
135.08035	2.8
135.11650	7.9
137.05936	1.9
137.09593	4.5
137.13237	3.2
137.58878	0.9
139.11154	9.9
141.06934	1.2
142.07709	2.2
143.08557	5.0
145.06438	0.9
145.10091	14.1
147.08026	3.2
147.11659	44.6
148.11942	1.3
149.09590	100.0
149.13206	5.0
150.09956	3.0
151.07527	13.0
151.08694	1.4
151.11153	1.0
153.09077	1.9
155.08569	2.3
155.10657	2.6
156.09303	3.4
157.10175	4.1
159.07990	1.9
159.11678	8.4
161.09570	3.3
161.13254	6.0
163.07545	1.3
163.11134	6.4
163.14774	2.5
165.09096	2.8
165.12730	17.2
167.10649	28.3
168.11107	1.0
169.08676	0.8
169.10031	1.7
171.07993	1.3
171.11636	11.6
173.09586	2.5
173.13237	5.1
175.11099	1.7
175.14841	1.5
177.09152	0.9
177.16473	0.8
179.10675	1.3
179.14288	7.6
181.10059	1.0
181.12201	1.2
183.11647	2.5
183.13762	2.8
185.13222	3.5
187.11099	1.6
187.14771	2.6
189.12703	18.6
189.16287	1.1
190.13046	1.0
191.10596	2.5
191.14276	1.9
195.11705	1.3
195.13739	1.0
197.13147	1.3
199.11102	1.4
199.14854	1.6
203.14218	1.2
207.13754	58.1
208.14133	1.9
209.13390	1.9
209.15366	2.9
211.11197	1.4
213.12729	1.9
221.15265	1.2
225.14795	44.7
226.15186	2.2
231.13531	1.0
243.21115	1.7
249.14720	8.1
259.20612	1.3
261.14777	1.9
261.22083	5.9
273.22137	1.2
275.20184	1.5
275.23474	1.2
277.21570	3.2
279.22946	1.2
285.22046	1.1
289.21515	1.6
291.15829	2.7
293.20850	0.9
301.21500	1.5
303.23203	4.0
315.15735	1.9
315.23044	1.5
319.22696	1.4
327.23123	1.5
331.22809	1.2
333.16830	1.9
341.24670	2.6
351.23166	1.6
359.25787	1.2
367.22391	0.9
369.24149	9.1
370.24390	1.7
377.26898	1.0
387.20319	1.6
387.25198	14.7
388.25662	1.1
405.26328	11.8
423.27475	5.2
457.08914	1.0
535.95557	1.1
571.36115	0.9
611.39270	2.4
629.40131	3.9
647.41046	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	647.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.8
55.01837	1.0
55.05479	1.2
55.59300	0.4
57.03395	0.6
57.78696	0.4
61.89782	0.5
65.03908	0.6
67.05474	2.8
68.32915	0.5
69.03408	0.8
69.07050	2.8
70.06570	0.8
71.04965	0.8
77.03904	0.5
79.05441	1.7
80.04988	1.1
81.07027	2.6
83.04926	1.0
83.08580	1.2
83.80262	0.4
84.04484	1.2
85.02873	1.4
86.09695	0.8
91.05463	8.1
93.05790	0.5
93.07018	7.8
94.06548	2.8
95.04964	3.4
95.08555	1.6
96.04453	0.6
97.02885	0.9
97.06480	0.8
97.10110	0.6
105.04449	0.9
105.06964	1.4
106.06515	1.6
107.08552	1.6
108.08089	3.9
108.41060	0.4
109.06484	1.1
109.10132	1.2
110.05999	1.6
110.09611	0.6
111.08055	4.9
117.06969	1.2
118.06533	0.6
119.07280	0.7
119.08510	1.4
120.04439	1.0
120.08061	1.6
121.06438	1.5
121.10086	1.4
122.02325	0.8
122.06014	4.4
122.09608	0.5
123.07985	0.5
124.07556	1.9
126.05431	0.7
127.03870	0.7
132.07999	0.9
133.10062	0.5
134.05981	2.7
134.09636	5.2
135.08015	2.4
136.07559	7.9
137.05922	1.5
138.05452	1.1
138.09077	1.6
139.07527	0.9
140.03395	4.3
140.07036	3.5
143.07423	0.5
144.08064	1.1
145.06432	1.0
146.05983	1.2
147.06702	0.5
148.03899	1.1
148.07480	0.9
149.05893	0.5
150.05481	0.9
150.09081	1.2
152.07014	1.5
152.10675	3.4
154.04964	3.9
154.08569	1.8
156.08096	0.6
157.09979	0.5
158.09573	0.9
160.07559	1.0
161.05957	0.5
162.05450	2.1
162.07625	2.3
162.09094	29.9
163.07495	2.2
164.03397	0.8
164.07022	0.8
165.09027	1.1
166.04958	1.1
166.08554	1.1
167.07133	1.0
170.08304	0.6
172.03897	1.2
172.07532	1.6
174.05540	1.0
174.09225	1.0
176.03386	1.0
178.04883	0.8
178.08618	1.2
180.06630	0.8
180.10159	28.7
182.08177	0.8
182.09621	2.1
183.09135	0.9
184.07555	0.8
184.09871	1.2
185.06979	0.7
186.09143	1.6
187.08600	0.7
190.04953	1.3
190.08565	4.8
191.03340	0.5
195.09138	0.6
196.09909	0.7
197.06859	1.0
197.08499	0.6
197.10669	0.9
198.07635	0.9
198.09151	1.7
199.08643	2.7
199.12303	3.0
201.10283	0.7
202.08705	0.5
204.06491	1.6
204.10141	1.1
208.09642	70.3
209.10411	0.9
210.09093	2.0
210.10983	0.5
211.08600	7.2
211.12061	0.8
212.09262	3.2
213.06551	0.7
213.10078	2.3
214.08607	1.0
214.10709	0.7
215.11749	2.1
220.09669	0.9
222.07780	0.9
222.11301	1.2
223.08664	1.2
224.07211	0.6
224.09171	0.7
225.06500	0.6
225.10178	4.8
226.08894	0.5
226.10886	1.7
227.08070	1.4
227.11757	27.2
228.10168	0.8
228.12239	0.9
229.09673	1.4
229.13255	0.6
232.09723	1.1
236.09325	0.9
237.10167	3.6
238.08720	0.6
238.10880	0.6
239.07968	1.1
239.11749	2.1
240.12500	0.6
241.09595	1.5
241.13275	2.7
242.08025	0.9
243.11208	4.0
248.09071	0.8
249.10211	1.5
250.10736	0.9
251.08153	1.2
251.11731	2.1
252.08943	0.7
253.09624	3.7
255.07635	1.3
255.11168	2.7
256.09634	0.9
257.09097	0.8
257.12827	1.7
258.11096	0.6
259.10660	1.1
260.08972	0.6
263.08109	1.1
263.11819	0.9
264.08829	0.6
265.09631	5.6
265.13217	1.3
266.07874	0.7
266.10382	1.4
267.07727	0.9
267.11224	7.4
269.12796	34.4
270.07370	1.1
271.10571	2.5
273.12277	1.4
277.09671	0.9
277.12943	0.5
279.07974	0.9
279.11218	4.2
281.09192	1.6
281.13004	0.7
283.10699	5.4
284.09082	1.9
284.11707	0.9
285.09256	0.7
285.12247	12.0
286.10483	1.0
286.13113	4.4
287.10361	3.5
287.13834	27.8
290.12796	1.1
291.11096	0.6
293.09143	13.0
293.12375	0.6
295.10730	0.7
297.12415	1.1
299.10522	0.7
299.14151	0.7
300.11359	0.8
301.11734	3.7
302.12994	1.0
303.13510	4.3
304.10919	0.6
305.12384	0.7
306.12482	0.7
311.10214	14.7
311.13770	1.4
312.08411	6.3
313.11856	2.1
315.13809	1.0
316.11108	1.1
316.14542	1.0
317.12076	0.9
318.12347	1.7
320.13940	2.3
321.12109	2.9
323.10233	1.0
323.13837	1.4
325.11957	3.0
326.12686	0.6
329.11337	8.5
330.09192	6.2
330.12515	1.7
332.10306	1.0
332.13846	1.1
334.11954	0.7
334.15686	0.6
339.13589	1.3
341.11566	0.8
342.12390	1.1
343.12900	6.1
344.10751	6.6
344.14566	0.8
345.11334	0.6
346.11880	1.5
346.15591	1.1
347.12344	13.9
348.13321	1.8
349.14157	0.9
351.13242	1.4
352.14273	0.6
353.14911	2.5
355.13718	0.5
356.13828	1.3
358.11697	1.2
358.15564	1.0
359.12665	0.6
360.13354	2.1
361.13895	9.6
362.14874	3.8
364.12665	1.2
364.16769	0.8
365.11188	1.4
368.13849	1.2
370.11710	1.2
371.12946	1.1
372.13486	2.2
374.14944	1.4
378.14337	1.2
383.16138	0.8
384.13196	1.2
384.17569	0.6
385.17819	0.9
386.14993	1.3
387.15268	0.7
388.12585	5.5
388.16037	0.6
389.13364	2.9
390.14362	6.3
396.13297	0.7
398.14777	2.1
400.12878	1.4
401.13586	1.0
402.14078	1.3
404.16898	0.7
406.13922	6.5
407.14328	1.1
408.15433	12.7
414.14191	2.7
416.15976	2.7
420.15445	0.8
426.14676	0.6
428.15994	1.1
430.17792	0.6
432.15781	1.1
436.32004	0.6
438.16455	2.0
440.17899	2.7
442.13889	1.4
443.11642	0.5
456.15381	2.3
457.15958	0.8
458.17130	2.2
460.14804	2.2
462.16531	1.6
463.17902	0.6
472.14749	0.8
474.15536	2.9
476.17993	2.5
488.18628	0.7
490.19955	0.7
491.20953	0.5
492.21121	1.0
504.17429	1.8
506.19412	2.1
519.19604	1.0
524.24207	0.9
536.22070	0.8
551.22882	1.5
552.21069	0.8
553.24225	0.9
554.22986	1.0
555.22675	0.5
561.21295	1.8
567.21912	0.6
569.24146	0.9
571.25507	3.5
579.22290	8.2
580.21088	1.3
585.27283	1.0
587.25305	0.6
597.23340	26.1
598.21912	2.8
611.24908	3.6
615.24329	100.0
616.24664	2.9
629.25842	9.3
647.26929	24.1
648.26581	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.2
55.01847	0.5
55.05490	0.5
56.05011	0.4
57.03424	0.2
65.03940	0.3
67.05482	1.3
68.05020	0.2
69.03407	0.6
69.07053	1.5
69.92670	0.2
70.06578	0.2
71.26113	0.3
79.05463	0.6
81.03386	0.6
81.07050	1.2
82.02934	0.3
83.04973	0.4
84.08127	12.6
85.02867	0.6
85.06554	0.2
91.05460	0.7
93.05754	0.2
93.06992	0.9
94.06551	2.8
95.04936	0.8
95.08601	1.1
97.02863	0.4
97.06506	0.5
100.16757	0.2
105.07008	0.5
107.08566	0.6
108.04437	0.6
108.08089	0.5
109.10158	0.5
110.06009	0.8
112.07569	0.6
116.04951	0.6
117.05743	0.2
117.06975	0.3
118.06500	0.4
119.08534	0.6
120.66540	0.2
121.06490	0.3
121.10110	0.5
122.06001	10.2
123.04427	0.5
123.11710	0.2
124.07560	0.9
127.03896	0.5
128.06194	0.3
129.10248	0.2
130.06514	0.2
130.08617	1.5
131.08475	0.3
132.08075	0.3
133.10075	0.4
134.05986	0.3
135.11674	0.3
136.07562	2.4
138.05449	0.4
139.11082	0.2
140.07039	9.7
141.07784	0.2
143.08522	0.5
144.04416	1.3
144.08028	0.5
145.10101	0.3
146.05980	7.8
146.09637	0.3
147.06618	0.3
147.11349	0.6
148.07532	0.8
150.05467	1.0
155.07199	0.5
155.08435	0.5
157.08836	0.3
157.10023	0.3
158.05920	0.5
160.07530	0.8
161.07097	0.4
162.05399	1.2
162.07620	0.5
162.09099	0.6
164.07077	0.4
167.07184	0.3
169.08861	0.3
170.09607	2.5
172.03894	10.7
172.07446	1.0
172.09862	0.5
172.11172	0.9
173.04588	0.6
173.08353	0.4
174.05475	3.4
174.09125	0.7
175.08600	1.0
178.08653	0.4
180.10155	0.3
183.06717	0.3
184.07468	0.5
184.11205	0.8
186.05452	0.2
186.09093	0.5
187.08607	0.4
187.12257	3.6
188.10632	0.3
190.05006	0.6
191.05717	0.8
192.06557	0.7
197.08325	0.5
198.09103	21.3
199.09763	0.3
199.12192	0.4
200.09161	2.2
200.10742	1.1
201.10211	0.4
201.13788	0.4
202.08635	0.4
204.06514	17.2
205.07030	0.4
206.08080	9.5
208.09708	0.7
210.09135	0.7
212.10724	4.0
213.06665	0.3
213.10187	0.6
215.11755	19.5
216.12086	0.3
225.09970	1.1
226.08621	6.4
227.08109	1.1
227.11769	1.8
228.08771	1.1
229.09726	0.6
229.13324	1.0
230.10416	0.6
231.11197	1.0
237.10193	0.6
239.11810	0.6
240.10435	2.8
241.09682	1.7
241.13292	1.8
242.10315	1.5
243.11237	98.5
244.11594	1.6
249.10109	0.6
250.10538	0.3
253.09616	0.3
255.11238	9.8
256.12018	0.7
257.12775	5.4
259.10510	0.3
261.12460	0.3
265.09622	0.4
267.11188	0.6
268.09598	0.4
269.09225	0.3
277.09348	0.4
279.11194	0.6
283.10760	1.9
284.11395	0.8
285.12274	88.3
286.12598	1.5
287.10248	0.3
287.13876	0.5
293.09103	0.5
295.10794	0.3
301.11752	10.3
302.12485	0.3
303.13321	100.0
304.13611	1.2
313.11768	3.3
317.14859	0.6
318.27744	0.3
323.10349	0.3
325.11569	0.4
326.12823	0.3
327.09744	0.3
327.13419	0.3
331.12933	1.1
345.14417	5.9
347.15909	1.5
353.11420	0.4
356.14038	0.3
363.15546	0.5
371.12454	0.3
381.31036	1.6
383.12540	0.6
386.14838	0.4
399.32126	4.8
414.14407	0.7
428.16022	0.5
430.17685	0.8
431.31378	0.3
442.75775	0.2
446.17062	0.6
456.15771	1.0
458.16779	0.4
474.16528	3.9
475.17343	0.3
489.18951	0.3
492.17346	0.5
506.19348	1.1
518.60455	0.3
524.20337	1.1
553.24005	0.4
571.25372	2.7
579.22382	0.5
587.25049	1.1
597.23303	2.6
615.24353	10.9
616.24152	0.3
629.25702	0.9
647.27356	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.27
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.8
53.77742	1.7
55.01857	3.0
55.05492	3.1
59.04968	2.1
64.99995	1.7
67.05478	8.5
69.03409	4.3
69.07043	6.8
70.06568	4.7
71.04966	2.7
72.08150	2.7
79.05462	7.5
81.03403	2.3
81.07029	8.4
82.06538	2.9
83.04932	3.5
83.08612	2.7
84.08120	5.3
85.02878	2.7
85.06517	2.3
86.09698	2.5
89.06029	2.3
91.05463	9.9
93.05737	2.3
93.07016	17.2
94.06547	8.0
95.04938	10.0
95.08603	8.7
96.04481	1.9
97.02887	2.4
98.21439	4.0
99.39973	1.9
105.06986	5.1
106.06530	2.7
107.04910	2.2
107.08560	6.0
108.08122	4.4
109.02825	2.2
109.06486	5.2
109.10114	4.1
110.06003	9.2
111.08084	10.0
115.05453	1.8
116.04983	2.0
117.07011	3.0
118.06511	1.7
119.04947	1.9
119.08553	5.0
120.04415	2.3
120.08094	3.2
121.06496	5.8
121.10125	3.9
122.06017	19.6
123.04366	3.6
123.08069	1.8
124.03983	2.1
124.07558	8.2
125.09595	2.2
130.08640	4.4
132.08037	3.0
133.10139	4.7
134.05992	5.7
134.09610	8.6
135.08031	3.0
135.11699	1.8
136.07587	14.5
137.05959	5.3
138.05475	12.4
140.07053	14.2
144.04395	5.7
145.10086	3.9
146.05980	20.8
147.04420	4.5
147.08067	1.7
148.07541	5.5
149.09567	2.4
150.09126	4.5
152.07027	6.0
152.10626	4.3
156.06490	2.8
158.91946	1.7
159.11681	2.8
160.07513	2.5
161.09575	2.5
162.05453	4.3
162.07744	2.9
162.09100	48.7
163.07523	5.9
164.07054	2.8
167.07063	3.7
170.09544	2.5
172.03900	22.1
172.07526	3.0
173.04662	3.9
173.13170	2.3
174.05472	14.2
176.07018	7.3
180.10156	34.1
188.07072	1.9
190.05000	5.6
190.08578	6.5
191.05753	6.0
192.06549	3.7
196.07489	3.0
197.08411	2.0
197.10727	2.5
198.09143	12.3
199.08585	2.8
201.10240	2.4
204.06532	47.5
206.08122	13.5
208.09647	92.1
209.10602	3.4
210.09320	3.2
211.08623	4.9
212.09128	2.3
213.10165	8.6
214.08762	2.3
215.08174	2.3
215.11771	8.6
220.09720	3.1
222.07521	3.5
223.08673	4.6
223.12177	3.0
224.09357	3.6
225.10133	12.4
226.08617	3.9
226.10672	2.7
227.08182	10.9
227.11732	20.1
228.08894	3.2
228.12091	1.8
229.09669	2.0
230.44772	1.9
233.13193	1.9
235.08629	6.0
236.09372	8.3
237.10162	18.5
238.07352	2.1
238.10966	5.4
239.08217	4.1
239.11874	9.3
240.08890	3.0
241.09653	17.3
242.10394	3.1
243.07515	2.6
243.11258	54.2
245.09180	2.6
246.07669	2.6
249.10091	12.8
250.10995	7.4
251.08144	5.5
251.11743	29.5
252.08925	2.4
252.12651	3.3
253.09697	10.2
254.10445	2.3
255.11253	17.2
256.08386	5.4
257.09119	4.2
257.12793	4.2
259.10730	10.8
261.10150	3.5
262.10867	2.5
263.08115	5.0
263.11813	5.8
264.08679	10.6
265.09695	28.1
266.10504	5.5
267.07681	2.1
267.11240	13.0
268.08188	2.1
269.09457	11.2
269.12762	17.9
271.10620	8.6
277.09653	8.2
278.10434	5.8
279.07703	12.2
279.11246	38.6
280.11914	3.2
281.09326	3.1
281.12595	4.6
282.09909	1.9
283.10696	18.7
283.50861	2.1
284.07910	6.0
284.11523	9.1
285.08719	11.5
285.12277	57.5
286.09448	10.5
287.10211	53.5
287.13785	17.2
289.09546	2.8
291.11252	4.6
292.08310	4.0
293.09119	15.5
295.10721	6.9
296.11478	3.1
297.08994	2.7
297.12256	16.2
299.10287	4.1
301.11813	24.2
302.12479	2.2
303.13324	70.9
305.09116	5.4
307.10693	11.3
309.12292	4.7
310.09302	2.2
311.10248	29.0
312.11285	2.3
313.11679	9.9
314.12796	3.9
315.13516	4.3
316.14413	3.4
317.11328	4.2
319.12930	3.3
321.12396	2.2
323.10092	8.3
323.13513	3.2
324.11069	3.8
325.11786	42.4
328.14459	4.9
329.11288	25.2
329.14990	3.8
330.12488	2.7
330.15955	5.1
331.13007	3.8
331.16440	8.6
335.10306	4.5
337.11929	2.8
339.09711	6.4
339.13394	4.2
341.11319	5.2
342.12344	5.6
343.12906	16.9
344.13943	2.7
344.17603	5.7
345.14532	7.4
347.12274	7.5
351.09662	12.5
352.10458	12.1
353.11206	57.7
354.12204	3.5
355.13187	5.7
356.13849	9.2
357.14484	4.1
358.15527	11.5
361.14099	9.5
366.12378	2.2
367.12936	5.3
368.14001	2.3
370.15463	6.8
371.12405	2.5
372.17123	2.6
373.14484	2.4
378.14059	2.9
382.11694	2.6
383.12262	18.9
384.13202	23.0
384.17520	3.0
385.13852	79.6
386.14792	4.9
386.18796	4.3
388.16525	3.2
390.18094	2.6
398.14853	14.7
399.15753	20.8
400.16556	29.0
401.13919	2.6
402.13959	3.1
402.18655	2.1
408.15396	14.5
412.16708	3.4
414.17987	7.0
416.15768	6.2
417.16544	5.5
418.17667	8.7
428.15915	2.5
430.17603	7.0
437.17648	3.9
440.17639	5.9
444.44711	1.9
446.17096	3.8
447.17969	2.4
448.18338	7.6
449.19293	3.5
458.17075	39.4
459.17868	15.5
460.18564	2.7
464.18076	2.9
474.16519	18.2
475.16797	6.3
476.17484	5.8
477.16507	6.9
489.18869	8.5
490.19662	11.0
491.20560	3.6
492.17523	56.5
493.18405	13.3
494.19284	14.5
505.18701	3.8
506.19116	8.5
510.18442	8.6
524.20227	51.4
525.20557	6.6
553.24426	3.9
555.22058	3.6
569.23077	2.6
571.25891	8.6
573.23480	3.2
579.22137	8.6
585.24213	2.5
587.24268	2.9
597.23260	37.3
598.21777	4.7
615.24408	100.0
629.25842	11.8
647.28107	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	647.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.7
55.01850	0.6
55.05476	0.3
65.03913	0.5
67.05470	1.2
69.03410	0.7
69.07054	1.7
69.57355	2.4
70.06561	1.1
71.04964	0.4
79.05477	0.7
80.04965	0.4
81.03381	0.5
81.07021	0.6
84.08103	0.8
85.02859	0.4
86.09686	0.4
91.05437	0.7
93.07009	0.8
94.06548	3.8
95.04969	0.7
95.08569	0.6
96.04404	0.3
97.06503	0.7
105.07003	0.7
106.06591	0.4
107.08591	0.6
108.04450	0.4
108.08091	0.8
109.02824	0.4
109.10136	0.4
110.06003	1.3
112.07548	0.8
116.04935	0.7
118.06524	0.4
119.07210	0.5
119.08562	0.8
120.08064	0.6
121.05228	0.3
121.06499	0.4
121.10075	0.6
122.05995	11.9
123.04364	0.4
124.07565	0.7
129.06949	0.5
130.06409	0.4
134.06007	0.5
136.07552	2.1
137.05922	0.5
138.09108	0.6
140.07034	11.1
141.07854	0.5
143.03447	0.4
143.08472	0.6
144.04408	1.9
144.08139	0.5
145.10098	0.7
146.05978	11.6
147.04440	0.4
147.06541	0.4
148.07542	0.4
150.05441	1.6
155.08525	0.6
157.08835	0.6
157.10080	0.4
160.07590	0.6
161.07121	0.5
161.09566	0.4
162.05435	1.7
162.07709	0.4
162.09099	0.7
164.07025	1.5
167.06967	0.5
170.09593	2.7
172.03891	12.0
172.07500	1.1
172.09868	0.8
172.11209	1.0
173.04567	0.8
174.05499	4.0
174.09142	0.7
175.08635	1.2
176.07002	0.8
177.05412	0.5
182.08258	0.5
182.09744	0.4
183.06737	0.5
186.09123	0.8
186.11450	0.4
187.12302	3.5
190.04901	1.1
191.05714	0.8
192.06526	0.5
198.09091	19.4
199.12236	0.4
200.09085	1.6
200.10727	1.0
204.06522	22.0
205.07037	0.6
206.08073	10.0
208.09700	0.5
212.07283	0.3
212.10765	4.0
213.10107	1.0
215.11749	17.1
216.10054	0.4
216.12091	0.5
225.10182	0.8
226.08606	7.1
226.10751	0.7
227.08183	0.8
227.11761	2.6
228.08696	0.9
229.09692	0.6
229.13313	1.2
230.10629	0.4
231.11154	0.8
237.10170	0.8
239.11723	1.1
240.10127	1.8
241.09761	1.9
241.13286	1.6
242.10440	1.4
243.11237	90.9
244.11568	2.3
249.10104	0.7
250.10713	0.5
255.11247	9.1
256.11932	0.9
257.12781	5.4
263.11789	1.8
265.09738	1.1
267.11218	1.5
268.09454	0.5
269.09113	0.7
269.12646	0.5
273.12054	0.4
277.09711	0.5
279.11380	0.5
283.10623	1.6
284.11508	0.8
285.12268	81.0
286.12747	1.7
287.05447	0.4
287.10410	0.6
287.13904	1.2
291.11160	0.9
293.09344	0.7
295.10733	1.7
301.11780	10.6
302.12573	0.7
303.13315	100.0
304.13675	1.5
307.10556	0.4
309.12305	0.9
311.10291	0.6
313.11697	4.2
323.10263	0.7
323.13791	1.0
325.11624	0.9
327.13477	0.6
329.11298	0.7
331.12784	1.9
336.11044	0.8
343.12952	0.7
345.14377	6.7
347.15930	1.5
351.09335	0.4
353.11102	0.4
355.12695	0.7
356.13654	0.5
361.14105	0.5
363.15649	0.5
368.13434	1.2
369.14365	1.3
370.15381	0.8
371.12350	1.7
383.12463	0.5
385.13843	0.8
386.14734	0.7
388.16486	0.8
398.14917	0.7
414.14481	0.7
415.15176	0.5
416.15829	1.8
428.16107	0.5
430.17499	0.9
431.18115	0.7
434.17160	0.4
446.17010	0.4
456.15335	1.1
458.17270	0.6
474.16443	4.6
475.17410	1.8
490.19580	1.5
492.17554	0.7
494.19150	0.7
506.19226	1.6
512.20282	0.7
524.20074	1.3
571.25397	2.9
579.22418	0.9
587.24908	0.7
597.23267	5.4
615.24347	14.3
615.34546	0.8
629.25592	1.2
647.28107	1.7
660.76990	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.5
57.03442	0.7
57.07064	100.0
59.04989	32.2
69.07050	2.2
70.58736	1.5
71.08616	98.2
72.08981	0.7
73.06537	1.9
77.39539	0.5
81.07041	0.7
83.08610	2.2
85.10165	95.7
86.10502	0.6
87.04454	7.5
89.06012	68.7
97.10144	1.5
98.21446	0.5
98.39445	0.5
99.11714	12.0
101.09627	3.3
103.07559	0.7
107.07064	2.8
117.09117	5.2
130.08595	2.5
131.06978	3.7
131.10739	0.6
133.08577	52.2
139.14767	0.6
141.16348	13.3
147.10173	1.1
154.03136	0.5
161.11502	0.7
168.91006	0.5
175.09630	3.3
177.11192	26.5
181.19476	0.6
185.73282	0.5
191.12682	0.9
199.20528	30.9
208.54375	0.6
219.12170	1.3
221.13800	6.5
223.15446	0.6
235.15207	0.6
239.14760	1.2
240.23099	1.6
257.24686	15.2
265.16345	2.0
283.17441	2.9
309.18970	1.6
327.19910	2.5
353.21460	1.6
371.22659	24.3
372.22665	0.7
411.25748	4.6
429.26971	4.6
459.27481	1.1
469.29492	1.9
627.46307	3.2
644.38239	0.6
644.49188	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	645.4511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	7.0
55.77903	0.9
57.03422	3.0
57.07066	100.0
58.04209	11.6
58.07403	1.2
59.04990	35.8
60.04504	1.6
67.05499	9.1
69.07055	6.1
70.07840	1.1
70.10950	1.7
70.11301	4.6
71.04980	3.2
71.08620	69.0
72.05765	18.7
73.02915	8.2
73.06132	1.3
73.06541	25.4
74.06078	1.2
75.04475	2.2
79.05478	4.9
81.07047	9.0
82.07819	2.6
83.08601	6.4
85.06538	1.3
85.10168	62.0
86.07306	2.7
87.04454	26.7
87.08100	1.6
88.05239	4.0
88.07610	1.5
89.06016	30.8
90.01900	52.6
91.05460	2.4
93.07015	5.1
95.04939	5.0
95.08586	6.2
96.09360	2.6
97.06506	1.7
97.10161	4.4
98.21373	1.1
99.04422	1.3
99.11719	9.3
100.08849	1.3
101.06013	3.9
102.05522	1.6
102.06787	1.8
103.07566	20.6
105.07021	3.3
107.07087	1.4
107.08547	5.1
109.06508	1.2
109.10156	4.2
111.04374	1.2
111.11690	1.2
113.13291	2.2
115.07555	2.2
116.08315	6.0
117.09122	19.8
119.07018	1.0
119.08556	2.7
121.10149	1.6
123.11734	1.1
127.42374	1.1
129.09196	0.9
131.07036	3.9
131.08551	1.6
133.08577	15.7
135.10133	1.2
135.11734	1.5
136.09637	1.0
141.16458	1.3
145.10098	1.4
147.10143	4.7
147.11629	1.8
149.09634	2.0
149.11739	1.7
152.15556	2.6
155.17941	6.2
159.11603	1.9
161.11734	3.3
163.09747	1.3
163.11113	1.3
165.11247	1.9
175.09674	1.2
177.11171	7.0
178.07051	7.6
178.14400	1.4
179.12863	2.0
180.12303	1.3
182.58340	1.0
183.17427	6.0
189.11247	1.8
191.12772	1.4
194.13882	2.5
199.20590	2.8
207.12343	1.1
208.13797	1.1
208.15424	5.7
209.13782	1.0
212.21376	3.7
213.22075	7.1
221.13756	1.2
222.09720	14.7
222.16948	6.4
223.13318	4.8
223.15457	4.2
224.14925	2.0
238.16541	2.1
241.15166	2.8
252.18010	4.4
253.16475	2.5
254.15874	1.5
257.24829	4.2
266.09854	1.0
266.12265	5.4
266.19476	6.1
268.17392	4.7
270.84030	1.0
271.16440	2.8
275.20044	3.7
280.21310	1.1
282.19193	2.9
285.17816	2.5
293.21115	1.7
296.17773	1.3
296.20538	6.7
310.22250	8.7
312.20248	2.2
315.18811	1.3
326.21820	5.6
335.25537	5.0
340.23380	4.4
349.24030	1.0
356.22760	3.4
362.32483	4.9
363.27438	1.4
367.24765	2.5
368.26276	1.7
378.32086	1.3
380.30017	1.3
406.35172	10.0
416.21060	7.9
422.34485	2.4
425.33453	1.7
450.37897	2.5
466.37457	2.1
469.36227	1.3
494.40454	23.2
495.40714	2.0
510.39807	3.7
538.43604	2.4
554.42651	3.9
627.46149	4.7
645.25854	36.0
645.44958	12.4
646.25488	2.5
648.91876	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.1
56.05019	1.1
60.05345	0.1
63.17043	0.1
63.44788	0.1
67.05486	0.3
69.07039	0.1
69.27349	0.9
71.04945	0.1
81.07059	0.2
82.06538	0.1
84.08125	50.6
85.08453	0.3
91.05488	0.1
93.07022	0.1
97.06442	0.1
107.08557	0.2
112.07567	0.1
124.93109	0.1
130.08611	100.0
131.08971	0.7
259.09711	0.1
293.05722	0.1
362.00589	0.1
376.15756	0.1
583.79333	0.1
644.37457	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	644.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.1
56.05020	1.1
57.07056	0.1
59.64134	0.1
63.74826	0.1
67.05510	0.2
68.76675	0.1
69.07053	0.2
69.64980	0.7
71.08609	0.2
79.05477	0.3
81.03388	0.3
81.07041	0.4
83.08579	0.1
84.08130	52.6
85.08468	0.6
89.06014	0.1
91.05466	0.1
93.07023	0.1
95.08561	0.1
96.60209	0.1
98.21494	0.2
105.06989	0.2
107.08574	0.1
109.06523	0.1
119.08537	0.2
123.11695	0.1
124.71899	0.1
130.08620	100.0
131.08997	0.6
133.10121	0.2
145.10039	0.1
185.15298	0.2
199.16862	0.6
213.18439	0.4
250.21191	0.1
260.90170	0.1
267.15829	0.3
308.05954	0.1
541.35077	0.1
559.36090	0.3
614.32428	0.1
633.12341	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	644.4929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.0
57.07065	100.0
59.04991	15.9
67.05469	0.8
69.07056	2.3
69.97298	3.1
71.08618	63.3
72.08943	0.7
73.06541	4.4
83.08595	1.3
83.31639	0.7
85.06525	0.8
85.09411	0.9
85.10167	53.5
87.04449	13.1
89.06014	95.9
92.52735	0.7
93.07074	0.9
97.10141	1.6
98.21187	2.3
99.11720	9.4
103.07563	7.4
107.07048	2.7
113.13219	3.3
116.41705	0.7
117.09112	3.0
120.99198	0.6
129.09035	0.7
130.08614	2.6
131.07013	6.7
133.08577	81.4
134.08936	1.0
155.17903	8.7
161.11696	1.2
173.11761	0.8
175.09666	6.0
177.11192	42.6
195.12143	0.7
195.20856	0.9
205.43852	0.7
213.22107	9.1
219.12227	1.4
221.13789	8.4
223.15317	0.8
233.91956	0.7
239.14763	2.0
257.24719	7.7
265.16492	3.5
267.17868	0.7
283.17365	3.1
309.18918	2.7
327.19919	4.2
353.21713	1.3
371.22467	2.3
392.97305	0.8
397.23956	2.7
415.25290	22.8
416.26108	0.9
455.28357	5.3
473.29013	0.7
627.46558	4.7
644.49268	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	644.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.4
55.01855	3.9
55.05497	2.0
57.03411	2.7
61.02900	0.9
63.56620	0.8
65.03918	1.7
67.05483	2.7
69.03412	7.3
69.07056	2.2
70.06561	4.6
71.04961	2.4
71.08567	0.8
71.52104	1.1
72.08158	1.5
73.02901	1.4
74.09685	1.4
79.05482	6.8
81.03410	7.7
81.07028	6.2
82.07384	1.1
83.04949	1.2
84.04466	1.4
84.08124	2.1
85.02890	13.3
85.06519	5.1
85.26165	1.0
86.06874	1.0
86.09682	2.3
87.00800	4.4
90.05568	1.1
91.05463	20.1
93.07023	6.1
94.04195	1.7
94.07349	1.1
95.04939	5.8
95.08572	4.2
96.08897	1.0
97.02883	6.6
97.06518	1.9
99.04443	2.3
99.08080	1.9
100.07522	1.0
102.04664	0.9
103.03913	1.2
103.05453	15.7
105.01836	3.3
105.03367	1.2
105.07015	13.7
105.94118	0.9
107.04203	1.4
107.04934	29.0
107.08586	3.2
109.02846	5.9
109.06503	5.7
109.10142	4.3
110.07095	1.0
111.08058	1.6
115.05437	3.5
117.05451	2.9
117.07005	2.0
119.04925	17.5
119.08553	3.2
121.06482	7.7
121.10105	3.5
122.03645	4.9
122.07231	1.3
123.04391	1.3
123.08040	1.9
123.11673	2.2
124.12020	1.3
127.03906	7.9
128.06200	1.4
129.01814	1.0
129.06990	8.7
129.10205	1.0
130.04158	2.0
130.08629	3.3
131.04904	26.2
131.08525	3.2
133.02859	1.9
133.06473	10.6
133.10109	3.1
135.08037	9.7
135.11655	2.4
136.05072	1.0
136.07500	1.0
137.05952	100.0
138.06337	2.0
139.07538	0.9
139.11142	1.0
141.07010	1.2
143.04955	1.2
145.04935	2.6
145.06447	3.4
145.07513	0.9
145.10060	1.5
146.03709	1.3
146.07193	3.1
146.10335	0.9
147.04384	16.2
147.07988	2.0
147.11653	2.0
148.05191	3.4
149.05948	11.1
149.09589	2.2
151.03836	1.9
151.07520	49.8
151.11060	1.0
152.07887	1.5
153.09077	1.3
157.06415	6.4
159.02869	2.0
159.04396	1.7
159.08089	1.8
160.05154	1.2
160.08858	0.9
161.05952	93.0
161.09590	20.6
162.06700	6.8
163.07513	57.9
163.11122	1.7
164.07999	1.5
165.07027	2.3
165.09067	5.4
167.07040	2.1
167.08554	3.8
169.06459	1.7
171.67314	1.0
174.06750	5.6
175.07529	13.9
177.05403	2.6
177.09053	6.7
179.07068	6.3
181.06303	1.1
181.06973	1.1
181.08574	13.1
182.08121	1.6
187.07472	2.2
189.03960	2.1
189.09079	65.0
190.09395	2.2
191.06992	9.7
193.06458	1.6
193.08585	1.3
194.07220	1.3
195.08054	5.5
195.09978	1.9
197.05977	2.2
201.09007	2.1
202.07597	1.0
203.07062	6.2
205.06479	0.9
205.08469	1.1
207.10121	96.2
208.10446	2.6
209.09602	1.5
211.07521	1.6
212.08293	1.7
215.07008	2.5
219.10110	10.4
221.05954	2.8
221.09627	2.3
223.07407	4.5
224.08261	1.8
225.09079	3.3
226.45280	1.0
227.10652	9.6
229.08586	3.0
231.04944	1.8
233.08081	2.8
235.07581	1.1
237.09068	2.7
237.18491	3.0
238.09735	1.3
238.18857	2.6
249.11162	1.2
253.08568	5.3
253.12196	6.2
255.10135	11.9
255.19644	1.5
256.19788	2.4
257.08057	2.0
265.08606	2.9
267.10101	3.4
269.07999	1.6
272.10376	2.1
273.11121	2.5
281.11691	3.2
285.11063	11.0
285.16980	2.5
287.05563	1.7
287.12726	27.6
291.12573	1.2
297.11218	4.4
299.12704	5.4
301.14087	1.1
306.24948	1.7
311.12723	15.5
313.14273	33.0
314.14688	1.7
315.08887	1.2
323.12524	1.3
323.25778	1.8
324.26205	1.8
325.14291	2.7
331.15338	99.2
332.15576	4.9
342.27057	1.2
343.15314	13.5
379.10413	2.1
421.16006	1.0
433.20471	1.5
644.23749	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	643.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49900	0.2
53.82027	0.2
57.07035	0.4
58.58138	0.2
67.05488	0.3
70.87959	0.5
70.88297	0.3
79.05462	0.4
81.30428	0.2
82.21413	0.3
87.01614	0.2
87.04432	0.3
91.05421	0.3
93.07015	0.5
95.08519	0.3
105.06973	0.2
129.07022	0.3
133.10065	0.4
165.54752	0.3
175.21631	0.3
227.20128	0.4
245.89609	0.3
254.78018	0.2
308.73679	0.3
396.12283	0.8
397.12952	0.9
398.13892	0.5
399.14423	0.3
410.13861	1.7
411.14493	3.6
412.15118	2.5
413.16055	0.9
423.14288	1.0
424.15799	2.0
425.16083	6.9
426.16870	5.3
427.17392	0.8
428.18491	0.8
437.16400	0.5
438.13077	1.5
438.17764	0.5
439.13235	5.7
440.19153	2.3
441.19196	21.0
442.19623	0.6
451.17667	0.4
452.13885	1.9
453.15155	7.8
454.16122	2.4
455.16687	0.5
456.18506	0.4
458.15454	0.5
459.20175	0.4
463.14136	0.5
465.15540	0.5
466.12195	0.5
467.17090	16.6
468.17795	8.4
468.24207	0.5
469.18713	10.1
470.19662	0.5
471.16318	0.5
472.16797	0.4
479.17044	0.4
481.14758	12.0
482.15204	2.4
483.14639	0.3
485.18234	0.8
494.18216	0.5
495.15747	2.5
496.17105	12.5
497.17914	2.2
499.16422	1.0
508.19318	0.5
509.18121	1.3
510.19055	0.6
512.20569	1.0
514.17017	0.4
522.18262	0.5
523.19501	0.9
527.23212	1.5
537.19885	0.6
540.19604	0.3
542.21600	1.1
545.23492	0.4
555.22321	14.6
556.23047	0.9
568.19000	0.7
573.23450	0.4
583.21796	100.0
584.22131	4.4
587.24701	0.9
593.26520	0.8
600.20789	0.3
607.28009	0.3
611.20923	1.3
614.23572	0.3
615.24359	7.0
615.66858	0.3
625.29370	3.3
643.23694	31.9
644.23737	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	643.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18953	0.5
61.26007	0.5
64.67387	0.5
65.93499	0.4
69.95177	1.1
69.95574	1.3
126.09829	0.5
134.85838	0.5
153.02347	0.5
198.01019	0.5
252.85756	0.5
396.12314	0.7
397.12897	1.8
398.13538	1.1
410.13702	2.8
411.14514	4.2
412.15353	3.8
413.15985	1.6
423.14508	1.4
424.10468	0.8
424.15234	2.2
425.16187	10.7
426.16812	6.9
427.17395	1.6
428.18478	2.3
437.16559	1.0
438.12991	1.9
438.17685	1.2
439.13464	14.8
440.19086	5.0
441.19257	41.8
442.19455	2.0
451.13492	0.6
452.13992	2.9
453.15308	17.5
454.15909	4.3
457.14633	0.7
465.15723	0.6
466.12006	0.8
467.17041	26.0
468.17831	17.4
469.18726	13.9
471.16525	1.9
480.17712	0.7
481.14606	13.1
482.15433	3.2
485.18198	1.4
486.18896	0.6
494.17575	0.5
495.16574	2.3
496.17093	13.4
497.17740	3.0
498.18832	0.6
500.19366	0.5
508.18423	0.9
509.18225	3.4
510.19110	1.0
512.20789	1.6
514.22327	3.6
522.17517	0.7
523.19440	2.1
527.23328	3.9
528.22614	0.6
540.19965	0.7
542.21484	1.2
545.23700	0.9
555.22314	32.3
556.22583	1.8
583.21802	100.0
584.22260	4.9
586.21063	0.7
587.24866	2.6
611.21191	2.0
614.23517	1.3
615.15063	1.1
615.24365	12.8
643.23846	85.7
644.23871	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	643.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
55.01841	0.7
55.05486	1.1
57.03180	0.4
57.03427	4.6
58.43693	0.3
58.73077	0.3
59.04982	0.6
61.02900	0.6
61.71620	0.3
65.03930	3.1
67.05495	1.7
68.99754	0.5
69.03411	1.6
69.07066	0.9
70.06578	1.4
71.01329	0.5
71.04980	25.9
71.13500	0.7
72.08141	0.4
72.84917	0.3
73.02890	1.1
73.30189	0.2
74.52209	0.2
75.04462	0.9
79.05481	1.4
81.03407	0.7
81.07044	3.6
83.04963	0.7
83.08595	0.4
84.04446	0.3
84.08120	0.8
85.02888	27.1
85.06518	0.8
86.06076	0.4
86.09686	0.9
87.04447	0.9
88.02166	0.3
89.03906	0.4
89.05987	0.5
91.05459	4.2
92.02594	0.5
93.03381	3.5
93.07024	2.3
94.04174	0.3
95.01331	0.3
95.04936	1.1
95.08587	3.2
97.02852	0.5
97.06499	0.8
98.06039	0.3
99.04427	0.5
99.08101	0.7
100.07585	0.3
101.06003	0.3
103.03941	0.4
103.05448	0.6
105.06999	1.3
106.36670	0.3
107.04932	1.4
107.08579	1.5
109.02853	0.7
109.06516	0.6
109.10180	1.4
110.03622	0.4
111.00789	0.3
111.04421	9.6
116.07040	0.3
117.03341	0.5
117.07014	0.5
117.40793	0.3
119.04939	2.5
119.08557	1.2
120.08138	0.4
121.02821	1.3
121.06516	1.6
121.10125	0.9
122.03596	0.7
123.04399	0.9
123.11689	0.6
124.05182	0.4
125.05972	10.7
125.09570	0.5
127.03889	0.8
129.05455	6.3
129.10202	0.4
131.04880	0.5
131.08551	0.4
133.06421	0.4
133.10068	0.8
134.03593	0.6
135.04391	1.6
135.11664	0.5
136.07521	0.5
137.02347	1.7
137.05954	14.0
137.09506	0.4
137.13181	0.3
141.12747	0.4
145.02838	0.8
145.06476	0.5
145.10086	0.7
147.04395	0.9
147.06516	0.6
147.08031	0.5
147.11641	0.6
149.05952	27.4
150.06770	1.8
151.03886	1.0
151.07509	1.8
152.04556	0.4
152.06935	0.3
153.01813	6.7
153.05435	26.0
154.05701	0.3
155.14276	0.5
159.07980	0.3
161.05949	0.7
161.09679	0.4
161.13235	0.3
163.03888	1.2
163.07402	0.3
165.01845	1.2
167.07007	10.0
169.15715	0.3
171.11551	0.4
173.05948	0.6
173.13228	0.4
177.05429	3.2
178.05856	0.3
179.07022	0.5
181.04893	1.8
183.02853	0.4
189.09152	0.4
191.10657	0.6
195.06506	5.2
201.05418	0.9
203.03391	0.6
207.06488	0.4
209.08035	3.1
217.04967	1.7
218.05760	0.6
219.02750	0.3
228.04153	0.9
229.04910	2.5
245.04379	2.5
246.05235	1.0
253.05016	0.3
257.04440	1.1
273.03937	2.3
274.04675	2.0
285.03967	1.1
285.16907	1.0
286.04550	0.3
287.05530	0.5
287.10086	0.5
301.03394	4.9
302.04123	9.6
303.04922	34.5
304.05252	1.0
305.24615	0.5
313.03305	0.4
315.04858	2.3
323.25577	0.5
327.04974	3.9
341.27017	0.3
343.04428	1.5
355.04572	1.2
361.05472	1.0
377.29080	0.7
417.15350	0.6
437.08557	0.5
451.10031	2.4
479.09842	0.8
497.10690	100.0
498.11057	4.7
511.12201	6.5
512.13177	0.3
539.11536	0.6
553.29456	0.3
572.32245	0.3
593.22754	0.4
599.30518	0.5
643.29651	1.6
643.82043	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.5134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05315	1.4
55.05505	2.6
57.03438	2.1
57.07065	95.1
59.04989	60.4
67.05515	2.9
68.02684	1.1
69.07043	2.0
70.49767	3.6
71.08617	100.0
76.55331	1.4
79.05473	1.8
81.07032	3.5
82.01857	1.1
83.08598	6.1
85.10165	93.1
86.10480	1.3
87.04447	5.4
89.06010	23.0
93.07013	1.8
95.08612	2.1
97.10151	3.0
99.11710	10.9
101.06034	1.5
101.09645	8.5
103.07568	2.8
115.07563	2.9
117.09104	23.2
120.09846	1.3
121.10146	1.2
127.63402	1.1
130.08649	1.7
131.07106	1.1
133.08583	12.9
133.10101	1.2
135.11676	1.2
141.16356	13.1
147.10104	1.9
155.17906	2.0
157.12102	1.3
158.11705	2.5
172.61449	1.2
175.13275	2.4
177.11217	8.9
195.12268	6.0
199.20525	33.0
202.90868	1.3
213.22115	1.7
229.64136	1.2
235.15402	3.8
240.23187	3.2
253.16400	4.8
255.23187	1.5
257.24710	45.4
271.26154	2.0
311.20587	4.1
314.61014	1.3
315.28815	2.7
346.53873	1.2
373.21991	1.3
642.50891	5.5
643.25012	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	643.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
53.49138	0.4
55.01859	1.1
55.05494	1.5
56.05016	0.6
57.03424	5.2
61.02899	0.4
65.03931	1.7
67.05497	2.1
69.03419	2.2
69.07053	2.4
69.24728	1.0
69.25133	4.2
70.06577	6.3
71.01342	0.4
71.04980	36.5
72.07861	0.4
72.08150	4.2
73.02893	0.8
75.04472	1.3
79.05478	2.7
81.03396	1.5
81.07044	5.0
82.07382	0.4
82.24255	0.4
83.04961	1.8
83.08553	0.6
84.04492	0.9
84.08128	2.8
85.02888	35.1
85.06523	1.4
85.32140	0.4
86.06062	0.6
86.09693	5.7
87.04447	1.0
91.05479	3.0
93.03374	2.1
93.07028	3.6
95.01310	0.5
95.04940	2.4
95.08592	4.4
97.02870	1.2
97.06520	1.3
97.10162	0.9
99.04446	1.0
99.08083	0.5
100.07595	1.0
103.03902	0.5
103.05432	1.0
105.07014	3.3
107.04931	0.9
107.08566	3.3
109.02863	1.1
109.06533	1.0
109.10130	2.5
110.03680	0.5
110.07098	0.9
111.04414	5.4
111.08061	2.1
116.07079	0.5
117.05461	1.2
117.07014	0.8
119.04908	1.5
119.08552	1.9
120.08079	0.7
121.02842	0.8
121.06472	0.9
121.10147	2.5
123.04453	1.1
123.08067	0.5
123.11694	2.2
125.05970	8.6
125.09589	0.8
127.03891	1.0
129.05463	8.9
129.10216	0.9
130.08662	1.4
131.04913	1.2
131.07036	0.8
131.08591	0.8
133.02820	0.5
133.06465	0.5
133.10114	1.4
135.07985	0.6
135.11682	2.4
136.07593	0.6
137.02324	8.0
137.03374	0.3
137.05936	2.3
137.13245	0.6
139.11182	1.0
140.06989	0.6
143.11818	0.9
145.10101	1.4
146.10439	0.4
147.04402	0.8
147.06488	1.6
147.08107	0.7
147.11646	1.0
149.02350	0.8
149.05971	0.6
149.09537	0.6
149.13287	0.7
150.05511	0.5
151.03891	3.0
151.07521	1.0
151.11183	1.0
153.01808	1.8
153.05438	25.1
153.12776	0.6
159.11659	0.8
161.05945	0.8
161.09550	0.5
161.13246	0.8
163.03903	0.8
163.07512	0.8
163.11174	1.4
165.01744	0.8
165.12836	0.7
167.06967	3.2
167.10733	0.5
173.05942	1.0
173.13223	0.9
177.01906	0.7
177.05434	1.8
179.03416	1.1
179.06926	0.7
181.04968	0.8
191.03391	0.6
191.07043	0.7
195.06477	11.8
199.17947	2.2
201.05519	0.5
205.01303	1.8
209.08066	1.0
217.01305	1.9
219.10115	0.9
226.07217	0.5
227.12790	1.1
227.17439	2.1
228.13100	0.6
229.04922	2.6
230.05629	0.5
253.04839	0.5
255.06673	0.5
255.19113	0.4
257.04395	2.3
264.55136	0.4
273.03705	0.5
275.05481	0.4
281.04474	0.8
283.15280	2.8
284.15747	1.6
285.03900	1.2
287.05438	0.7
287.10138	3.1
298.21176	1.6
299.05472	1.7
301.06784	0.5
302.04279	0.8
303.04916	47.6
303.23117	0.7
304.05267	0.8
307.10080	0.9
313.03452	1.9
315.04971	1.2
321.24207	1.0
327.05078	1.1
328.18420	0.6
329.02875	2.0
329.06537	6.6
331.04230	4.0
337.03403	0.9
345.05829	1.0
347.03876	4.5
355.04422	11.6
373.05472	4.3
377.06342	0.5
377.26822	0.6
395.07513	0.6
395.27789	1.4
397.28122	1.4
401.29297	0.5
403.61670	0.5
405.06137	1.3
409.09088	0.5
413.28891	1.3
419.07651	0.4
421.05438	1.0
432.19852	0.6
437.08609	9.4
479.09744	3.8
481.11005	0.6
496.34830	0.9
497.10684	100.0
498.11078	1.8
563.34644	0.6
611.24371	0.6
625.27283	0.6
643.21844	1.0
643.31775	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.5139
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10188	0.6
55.05500	3.0
57.03425	2.2
57.07066	100.0
58.07399	1.0
59.04991	38.3
61.48031	0.6
67.05486	2.5
69.03412	0.5
69.07043	2.5
69.62350	0.5
71.08620	76.3
72.08923	0.5
79.05493	1.8
81.07030	2.7
83.08602	3.1
85.10168	64.0
86.10514	0.8
87.04431	2.6
87.08089	0.8
89.06016	19.4
91.05457	1.5
93.07011	1.4
95.04955	1.0
95.08593	1.5
97.06517	0.6
97.10152	4.4
99.08064	0.8
99.11058	0.7
99.11714	13.7
101.06000	0.8
101.09635	4.0
103.07590	1.0
105.07025	1.2
107.08570	1.6
109.06506	0.9
109.10159	1.1
111.11718	1.1
113.13270	5.6
115.07582	1.1
116.07063	0.6
117.09113	13.7
119.08572	1.1
121.10126	0.7
125.13216	0.6
130.08607	2.2
130.78026	0.5
131.07021	0.7
133.08585	16.1
145.10040	0.7
155.16740	0.8
155.17921	11.2
158.11714	0.8
158.76265	0.5
159.13817	0.8
175.13297	1.5
176.67717	0.6
177.11209	5.2
191.12611	0.8
213.22093	24.7
214.22345	0.8
219.11836	0.5
221.13762	1.5
229.20567	0.6
239.14871	7.1
254.24741	3.2
263.80289	0.6
271.26282	29.6
272.26599	1.3
273.18338	0.6
291.19464	1.3
297.19067	4.8
329.30463	2.5
335.25632	0.7
337.21832	0.9
355.23227	3.8
395.26361	1.0
413.27295	0.6
625.46924	1.5
642.51404	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	642.4772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	3.8
57.03435	2.3
57.07068	100.0
59.04994	40.3
67.05489	3.4
69.07053	4.5
69.77502	7.5
71.08622	79.6
73.02907	8.6
78.74418	1.2
79.05473	3.2
81.07050	3.5
83.08590	3.0
84.08048	1.5
85.10173	60.3
87.04449	15.0
87.08059	1.2
89.06032	11.0
93.07026	3.7
95.04916	1.6
95.08614	2.1
97.10149	4.3
98.21489	1.4
99.11702	9.6
101.09628	5.4
103.03934	28.5
103.07556	2.6
105.06969	1.6
107.08569	2.5
113.13290	6.2
117.07013	1.5
117.09116	12.7
119.08537	2.2
121.10161	1.8
127.14796	1.4
130.08620	2.4
131.07028	2.6
133.08600	6.7
147.06506	4.6
155.17932	11.2
163.09642	1.4
175.09654	3.4
177.11140	2.5
185.18933	3.0
191.09094	3.8
199.20422	1.3
205.10635	1.6
213.22131	19.4
235.11775	3.1
243.23154	4.9
251.14783	1.5
254.24779	2.4
257.24597	1.9
269.15884	1.7
271.26276	23.7
279.14221	3.5
297.15479	7.4
355.19681	3.1
539.26080	2.7
567.25885	3.1
581.27087	1.6
582.96204	1.5
599.28479	7.0
611.24786	4.2
625.44879	1.6
642.47931	10.4
643.24750	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.4925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	3.9
55.05499	4.8
57.03416	1.5
57.07069	11.3
60.39791	0.8
66.27791	0.9
67.05505	4.3
67.96673	0.8
69.07066	5.4
70.73454	2.6
71.08617	12.3
79.05479	4.4
81.07038	27.1
83.04948	2.3
83.08598	3.8
84.77100	0.9
85.10160	4.7
91.05450	1.4
93.07030	3.0
95.08579	9.5
100.48470	0.9
105.07023	2.7
107.08567	4.4
109.06485	11.3
109.10149	4.5
111.04414	12.9
117.06976	1.2
119.08552	3.8
120.04488	0.9
121.10113	4.0
123.08050	1.9
123.11667	3.2
124.90420	0.8
125.05959	3.3
126.22939	0.8
130.08592	1.4
131.08563	1.7
133.10104	2.5
135.08017	2.6
135.11687	4.3
137.05952	100.0
137.13220	2.6
138.06281	1.9
147.07999	1.6
147.11647	4.2
149.09601	3.6
151.07498	3.4
151.11090	0.9
157.10101	1.7
161.09602	6.7
161.13249	1.8
163.11154	3.7
165.09117	1.6
167.10532	1.2
171.11626	1.4
175.11113	4.7
175.14841	1.0
179.10664	1.8
189.12766	1.5
203.17865	5.2
205.19536	1.1
213.16370	2.5
221.19029	1.4
231.17389	7.7
239.23590	1.1
249.18459	4.5
277.17944	37.2
278.18253	2.0
295.18985	13.6
310.57532	0.9
313.27301	34.3
314.27521	1.4
351.21619	19.5
369.22791	2.3
508.47968	1.2
520.86688	1.1
550.64075	1.0
589.44507	85.9
590.44934	7.0
607.45728	5.3
642.57422	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	642.4559
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81803	0.6
53.03934	0.9
55.05508	2.7
57.03417	0.8
57.07068	22.5
57.26622	0.5
59.04993	6.6
60.98187	0.6
67.05498	3.6
68.91816	0.5
69.03429	4.3
69.07043	2.4
71.04977	0.5
71.08624	14.5
71.39416	0.5
73.02904	3.1
79.05476	1.4
81.03412	4.5
81.06592	0.8
81.07047	10.7
83.04961	0.9
83.08595	2.5
84.08110	0.8
85.02894	24.5
85.06543	0.7
85.10172	12.1
86.49044	0.6
87.04462	3.6
89.05999	2.8
91.05485	3.5
93.07014	3.3
95.04970	0.9
95.08601	6.6
97.02888	3.9
97.10179	1.4
98.20802	1.4
98.77069	0.5
99.04440	0.6
99.11702	2.0
101.09642	0.6
103.03922	1.5
105.07016	10.9
107.08573	2.8
109.02850	2.9
109.06497	2.0
109.10141	4.1
113.13256	0.6
117.06984	1.7
117.09112	1.6
119.08566	13.9
121.10134	3.4
123.08043	1.3
123.11687	24.0
125.05960	2.0
127.03918	2.9
129.06958	1.0
130.07784	1.1
130.08563	1.0
131.07001	0.6
131.08566	2.5
133.06477	6.1
133.08543	1.6
133.10118	1.5
141.07008	0.6
141.16345	1.0
143.08540	1.2
145.04919	1.4
145.10101	16.1
147.08037	2.5
147.11664	26.1
149.09572	2.6
151.07593	0.8
153.19565	0.5
155.17932	1.4
156.09323	4.0
159.08055	1.4
159.11694	0.7
160.08832	0.7
161.09605	0.6
161.13237	0.8
165.12749	1.1
166.38474	0.5
171.11679	4.3
174.10384	1.5
177.11292	0.6
185.19067	0.6
189.12714	100.0
190.13081	2.4
191.09177	0.6
199.20564	1.3
207.13771	20.8
213.22137	0.7
221.13722	0.6
225.14806	4.3
229.14128	0.7
232.24353	0.5
236.17871	0.5
239.23671	2.3
257.24710	2.6
271.26285	1.0
283.17468	1.0
367.82816	0.6
373.66690	0.6
383.27612	3.2
401.28931	3.8
642.47540	2.0
643.25232	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	642.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03044	0.5
53.03927	1.3
54.18593	0.6
55.01854	1.3
55.05500	5.1
57.03428	1.3
57.16887	0.6
58.24923	0.5
61.02908	2.3
67.05492	14.5
69.03412	0.9
69.07059	6.2
71.04967	0.7
71.52433	1.2
79.05479	12.5
81.03400	0.8
81.07040	14.8
83.04956	1.6
83.08621	3.6
84.08115	2.5
85.02869	2.5
85.06514	1.0
87.04440	0.6
87.56823	0.6
91.03930	1.5
91.05465	15.1
91.34110	0.6
93.07027	13.6
95.04974	2.8
95.08588	12.6
96.77834	0.6
97.02859	1.2
97.06509	1.8
97.10137	1.6
99.08082	0.7
105.07011	15.5
106.07325	0.8
107.04939	1.6
107.08572	7.6
109.06472	2.1
109.10118	5.3
111.08041	1.8
114.12821	0.6
115.05409	0.8
117.06996	8.9
119.08566	12.0
121.06490	2.2
121.10127	6.3
123.08076	1.5
123.11735	0.6
124.70464	0.6
125.09600	1.3
128.06184	1.2
129.06979	6.2
130.08617	4.9
131.08549	16.0
133.06448	0.6
133.10103	7.5
135.08034	2.1
135.11694	2.0
137.09587	1.3
141.06955	2.4
143.08525	7.6
145.06406	0.6
145.10100	9.5
146.10535	0.7
147.08034	2.4
147.11664	2.1
149.09589	1.9
155.08571	3.0
157.10104	5.1
159.08040	0.8
159.11684	4.4
161.09608	1.7
161.13290	1.4
163.11133	0.7
167.08524	1.1
169.10062	3.7
171.11646	4.6
173.09583	0.7
173.13261	1.9
175.11157	0.9
175.14775	0.9
179.08569	0.7
181.10150	1.7
183.11646	2.5
185.13216	2.4
187.11102	0.8
187.14793	1.2
189.12753	0.9
195.11728	2.0
197.13287	2.2
197.67712	0.5
199.14841	1.3
201.16310	0.8
209.13278	1.6
211.14844	1.5
213.12776	0.7
215.14278	0.8
223.14771	1.6
233.15268	0.8
247.16855	1.4
273.18542	1.4
275.20016	1.2
286.61581	0.5
312.32727	0.6
325.25235	1.8
335.23776	0.9
343.26208	2.6
353.24539	4.7
357.71106	0.6
371.25650	7.5
372.26041	0.9
389.26752	7.0
427.28342	2.0
445.29416	100.0
446.29745	5.9
463.30457	38.2
464.30609	1.7
582.27905	0.8
607.34161	1.4
625.16644	0.7
642.30127	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	641.2959
Annotation	Scortechinone S
Peak:m/z	Relative Intensity
55.05502	1.0
57.07064	0.6
62.46541	0.4
67.05499	1.2
69.07044	0.8
79.05469	1.2
81.07044	2.6
83.08609	0.6
89.06027	0.6
91.05473	0.9
93.07039	1.2
95.08607	0.6
97.10164	0.4
105.06991	1.0
107.08575	0.7
109.06485	0.5
109.10174	0.5
119.08544	0.8
121.10133	0.7
130.08643	0.4
131.08572	0.5
133.10133	0.6
195.09102	0.5
197.10716	0.7
198.11581	0.5
209.10767	1.1
211.12321	1.2
219.55113	0.4
223.12160	0.7
224.13036	0.7
225.13910	0.7
227.11783	1.4
235.12335	0.5
236.72346	0.4
237.13840	1.2
238.14647	0.9
239.11838	0.7
239.15416	1.1
249.13702	0.6
261.14035	0.5
275.20090	1.4
277.06082	0.5
281.12872	0.7
304.18024	0.8
305.15186	0.4
313.15555	1.4
314.16647	0.4
318.16083	0.7
319.16974	0.6
332.17578	0.8
334.19171	1.1
341.15240	0.6
344.17822	0.7
345.18237	0.9
349.23618	0.8
360.20831	0.7
369.15039	0.5
374.19070	0.7
375.19528	0.6
378.18765	0.5
384.17130	1.9
389.17542	0.9
390.22052	0.7
391.13376	0.4
391.18903	1.4
392.19833	1.7
393.20462	1.2
401.17697	0.8
402.18341	0.6
403.19183	1.2
404.20044	1.4
405.20908	1.6
406.21365	3.0
407.22092	4.1
412.16513	1.0
414.14182	0.5
415.19315	1.7
416.20020	1.5
417.20914	3.1
418.21484	2.7
419.22543	2.2
420.22821	1.5
421.23587	3.7
422.24380	5.2
426.18158	0.7
427.19342	0.8
429.21106	2.3
430.21609	1.6
431.22778	3.4
432.23404	1.0
433.24051	5.2
434.24579	3.6
435.21704	1.0
443.22476	0.9
444.19238	2.3
444.23773	1.5
445.23895	2.8
446.24875	1.0
447.25443	1.7
448.19308	0.6
449.23599	0.8
459.21091	3.1
460.22446	2.6
461.19510	0.7
462.20297	3.5
463.21295	3.0
471.21558	0.8
472.22552	1.2
473.23538	2.6
474.24112	2.4
475.20956	3.7
476.21991	1.5
477.22797	10.8
478.23157	1.0
485.23392	1.0
487.24841	4.6
489.22882	1.5
490.23096	1.0
491.24695	3.0
492.24655	0.7
503.24274	1.0
504.25604	1.0
505.25815	2.5
506.26898	2.8
515.24323	1.8
517.22528	1.0
518.22723	0.6
519.27771	2.0
523.27301	0.6
532.24261	0.9
535.22668	2.4
545.25409	6.8
546.25970	1.4
547.26996	12.6
548.27112	0.7
549.24854	8.6
550.25616	14.1
551.25867	1.0
563.26178	2.5
564.27106	2.8
565.27734	1.0
566.24878	0.6
577.27661	1.0
579.29584	5.8
581.27277	1.0
591.26001	10.0
605.17560	0.8
605.27435	14.0
606.27844	1.1
609.26929	9.7
623.28516	100.0
624.28784	6.3
626.26880	0.8
641.29572	7.8
641.41534	0.7
641.43250	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2959
Annotation	Crooksiine
Peak:m/z	Relative Intensity
55.05499	0.8
57.33319	0.4
62.06558	0.4
65.22578	0.5
67.05487	1.4
69.07065	0.5
69.86132	2.8
74.67426	0.4
76.97556	0.4
79.05482	1.1
81.07030	0.7
84.08131	1.0
91.05490	1.2
92.79966	0.4
93.07031	0.7
97.06539	0.5
98.21436	0.4
105.07014	1.0
105.65179	0.4
107.04959	0.5
107.08545	0.8
108.08094	0.5
109.10194	0.5
112.87415	0.5
117.06992	0.5
118.06454	0.6
119.08561	0.6
120.04461	0.6
121.10110	0.7
122.09605	0.5
130.08632	1.2
173.10774	0.5
185.10748	1.4
187.12303	0.6
188.03377	0.7
197.10797	1.0
209.10719	1.4
210.11476	1.1
211.12337	1.8
212.13144	0.5
221.10840	0.6
223.12347	1.3
224.13141	1.2
225.13799	2.4
227.11853	1.6
233.10677	0.6
235.12366	1.1
237.10220	0.5
237.13890	1.6
238.14607	1.3
239.11888	0.8
239.15411	2.5
240.16348	0.6
247.12343	0.5
249.13916	0.6
251.15439	0.7
253.13275	0.8
273.13550	0.5
274.13257	0.5
275.14233	0.6
275.20050	1.3
275.26532	0.6
276.15100	0.7
277.06284	0.5
277.15948	0.8
279.11313	0.7
281.12918	0.6
287.15253	0.7
290.16507	2.0
291.17218	0.6
292.18149	1.6
300.15073	0.6
302.16571	0.6
304.14429	1.1
304.18195	1.7
305.15634	0.5
305.18951	1.9
307.10809	0.8
309.26590	0.5
312.14957	0.5
313.15588	1.7
314.16544	0.7
315.17575	0.7
316.14539	0.9
318.15970	1.4
319.16821	1.4
321.12277	1.0
326.12677	0.7
330.16101	1.2
331.17551	1.0
332.17545	1.9
332.21378	0.5
333.18298	0.7
334.19037	1.0
342.15881	0.5
344.17651	1.2
345.18506	0.7
346.19086	1.0
347.19833	0.8
348.20743	0.8
354.12296	0.7
358.19345	0.6
360.17053	0.6
369.14447	0.8
374.18680	1.1
375.19592	1.3
377.18045	0.7
378.18298	0.8
382.11673	0.7
384.17184	3.3
388.19913	0.5
390.22226	0.9
391.19351	1.4
392.19717	3.4
393.20764	2.5
401.17310	0.6
403.19211	1.2
405.21255	2.0
406.21252	5.3
407.22092	6.7
408.23145	1.3
412.16382	2.8
415.19296	0.9
416.20087	1.1
417.21048	1.2
418.21613	1.1
419.22372	3.8
420.23117	2.9
421.23688	6.8
422.24335	7.9
426.17899	1.0
427.19116	1.2
429.21170	0.9
430.22107	0.6
431.22348	1.7
433.17502	0.6
433.24060	1.6
434.18170	0.8
434.24463	5.5
435.21997	1.0
443.22656	0.6
444.18900	4.3
445.24249	1.3
447.18039	1.4
447.25876	0.8
448.19333	0.7
449.23444	1.2
457.20203	0.6
458.20056	0.7
459.21445	2.1
460.22437	1.5
461.19434	1.4
461.24222	0.5
462.20187	3.1
463.21072	9.8
472.22375	0.6
473.23373	1.5
474.24347	1.0
475.21048	3.6
476.20941	2.1
477.23056	4.4
479.24493	1.0
481.15112	0.5
485.23355	0.8
487.24905	1.4
489.22507	1.9
491.24518	3.0
494.26944	2.7
495.16730	3.7
495.28027	2.1
503.24298	0.8
504.24814	0.5
505.25824	1.2
506.26770	1.4
508.22284	1.5
515.24432	0.6
517.22021	0.8
518.23444	1.3
519.20209	0.8
519.27496	1.1
520.20978	0.7
522.26166	1.2
523.27039	1.2
531.23901	1.0
532.23810	0.6
533.21655	0.5
534.22168	0.6
535.26831	0.8
545.25458	8.1
546.18610	0.6
547.19659	0.7
547.26996	7.3
548.24445	1.7
549.24908	14.9
550.25800	5.5
559.23126	0.5
561.21021	2.2
563.26538	5.4
564.26709	1.2
565.28003	1.5
576.23608	1.5
577.27496	0.6
579.29596	1.5
581.27338	1.8
591.25958	38.2
592.25824	1.6
593.23505	0.6
594.24200	0.5
605.27582	5.8
608.26172	1.0
609.26990	15.3
610.27686	0.8
623.28558	100.0
624.28796	3.9
626.26312	0.7
641.29535	22.0
642.22504	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	641.2951
Annotation	Crooksiine
Peak:m/z	Relative Intensity
55.05503	0.3
67.05502	0.3
69.07049	0.3
70.83093	0.5
79.05470	0.2
81.07047	0.5
84.08145	0.2
89.13837	0.2
91.05470	0.7
93.07037	0.5
95.08556	0.3
97.36558	0.2
105.07018	0.3
107.08625	0.3
113.40528	0.2
119.70777	0.2
120.08090	0.4
121.10129	0.3
122.09673	0.3
130.08601	0.3
148.07501	0.3
150.09157	0.2
160.13278	0.2
172.03963	0.2
211.12331	0.4
213.10226	0.2
225.10190	0.3
227.11761	0.3
237.10225	0.4
239.11809	0.4
241.13426	0.3
249.10335	0.4
251.11877	0.3
263.11844	0.3
265.09866	0.3
265.13501	0.2
269.12842	0.4
275.20090	0.6
280.96591	0.2
287.11008	0.2
302.12888	0.3
311.14011	0.2
314.12863	0.3
316.14612	0.3
325.15485	0.4
327.13605	0.3
328.14352	0.4
329.15338	0.3
330.15936	0.4
340.14243	0.3
342.16092	0.3
344.17603	0.3
349.23499	0.2
354.15671	0.2
358.15680	0.3
369.14484	0.2
372.17081	0.2
376.16614	0.2
377.17630	0.4
389.17542	0.3
390.18341	0.4
391.18991	0.7
392.20062	0.4
404.00165	0.2
404.15701	0.4
405.16312	0.4
405.21295	1.0
406.21436	0.8
407.22244	0.6
414.18063	0.2
417.17084	0.3
418.17758	0.8
419.18097	1.6
420.18335	0.3
420.23145	0.7
421.24481	0.4
424.20697	0.2
430.21298	0.5
431.18564	0.4
432.14777	0.3
432.19431	0.8
433.20154	3.2
434.21106	2.1
435.22534	0.9
437.19769	0.3
439.17575	0.3
445.20349	0.5
446.16443	0.4
446.21695	0.3
447.17728	1.2
447.22125	1.5
448.23141	1.5
449.23193	0.9
451.21097	0.6
460.18320	0.4
461.19363	8.6
462.20181	3.5
463.21112	0.7
465.18689	1.5
467.24384	2.0
474.20477	0.5
475.20932	1.0
476.21844	2.5
477.22861	2.9
478.20764	0.3
479.19995	1.1
480.21167	1.2
481.21771	0.3
489.22726	0.8
491.20428	0.4
493.22134	2.1
494.15988	0.2
494.22733	5.4
495.23630	1.6
504.21048	0.3
505.22363	0.5
507.23730	0.8
508.24915	0.4
509.22476	0.2
519.20728	0.4
520.24426	0.8
521.22131	1.1
531.23608	0.4
533.21429	0.6
535.27747	1.1
536.23743	0.3
538.25360	0.5
539.23529	0.3
548.23987	3.6
549.24854	1.2
553.21045	0.4
553.28137	1.2
554.24866	0.5
563.26465	5.2
564.26367	1.0
565.24194	0.6
566.24786	0.8
576.23462	0.7
579.22363	0.4
580.25891	0.2
581.27484	10.6
582.27563	0.8
593.24268	0.5
595.27026	0.2
607.29071	0.3
608.26093	2.3
609.26154	0.5
612.25983	0.3
623.28687	1.6
624.28033	0.4
626.26868	0.5
641.29535	100.0
642.29950	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	639.2798
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
62.57095	2.1
71.20898	5.1
98.21595	2.2
221.07976	2.0
224.53922	2.1
355.99826	2.9
423.21594	2.7
436.18570	2.5
437.23102	3.2
459.21777	19.0
465.22723	5.9
492.21646	4.2
493.22128	5.1
519.23755	6.9
547.26959	11.5
551.26672	6.5
579.25800	6.1
580.26489	5.9
589.25098	2.8
606.28241	90.9
607.25446	19.4
611.28882	12.5
622.27582	5.0
639.27899	100.0
640.28186	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	641.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.6
57.60063	0.3
58.97599	0.3
66.87144	0.3
67.05489	1.1
67.34406	0.3
70.06567	0.4
71.52649	0.5
74.79514	0.3
79.05478	1.2
81.07039	2.6
83.08617	0.3
84.08124	0.4
86.09727	0.3
91.05471	0.7
92.71722	0.3
93.07028	0.9
95.08587	0.7
105.07055	0.8
107.04980	0.4
107.08579	0.6
109.06486	1.0
109.10114	0.3
109.48454	0.3
119.08568	0.7
121.10145	0.5
127.07278	0.4
128.73648	0.3
131.08571	0.5
133.10149	0.5
133.70442	0.3
135.08041	0.4
145.10159	0.4
147.11705	0.4
149.13199	0.3
171.05099	0.3
178.65289	0.3
220.20068	0.3
223.12421	0.3
267.20795	0.3
275.20065	1.2
284.29605	0.4
328.14380	0.3
349.23630	0.5
372.87317	0.3
377.17700	0.4
379.19232	0.7
385.09433	0.3
391.19254	0.8
392.19894	1.0
393.20828	1.5
395.22147	0.5
405.16577	2.1
406.17734	0.9
407.18396	0.8
407.22617	4.2
408.23080	0.7
409.23920	0.3
414.97238	0.3
419.18237	2.4
419.23376	0.5
420.18976	1.9
421.20172	4.0
421.24698	0.3
422.21109	0.6
423.21890	1.1
433.20166	4.6
434.21304	3.4
435.21799	6.2
436.22806	1.4
437.22931	0.6
438.78281	0.3
447.21835	1.2
448.23428	0.5
449.19455	7.6
450.20422	0.6
461.19058	0.5
462.20197	0.7
463.20920	2.9
464.21942	2.1
465.18607	0.3
465.23209	0.5
466.23724	0.4
467.24353	0.5
475.21167	0.4
476.22122	0.3
477.22571	0.8
479.19882	1.6
480.21362	0.6
481.22125	1.6
493.21622	2.3
494.22989	3.3
495.23663	2.7
507.24173	1.8
521.25562	8.5
522.26178	0.7
523.27216	0.5
526.25720	0.4
535.23242	0.4
539.23413	1.2
543.37085	0.4
549.25275	0.4
550.24976	0.5
551.26111	0.5
553.24805	0.8
563.26294	0.6
567.26080	0.5
581.27545	22.3
582.27814	1.8
609.25067	0.6
610.27393	0.4
623.27399	0.4
623.43152	0.6
641.29553	100.0
642.29559	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	639.2803
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
53.02571	0.3
57.07056	0.8
59.05006	0.4
67.05512	0.4
71.08638	0.4
71.51957	0.5
81.07039	0.6
84.08148	0.3
87.04440	0.3
95.08593	0.4
95.24632	0.3
102.44382	0.3
124.46407	0.3
130.08673	0.4
131.74635	0.3
161.44751	0.3
163.28468	0.2
191.07228	0.3
194.18367	0.3
206.53725	0.2
208.10233	0.3
209.10608	0.4
221.10722	0.5
223.12404	0.3
225.13950	0.3
237.13913	0.4
251.15384	0.3
297.12451	0.4
297.15967	0.3
300.14941	0.3
312.15079	0.4
314.16479	0.4
326.16348	0.4
328.17963	0.4
336.91296	0.3
337.73523	0.3
354.16068	0.3
364.17654	0.3
375.16425	0.4
376.16895	0.5
377.17548	1.7
378.18518	0.8
379.18875	0.4
388.17859	0.3
389.18021	0.9
389.96747	0.3
390.18271	2.0
391.19122	4.6
392.19836	4.0
393.20746	0.9
400.20700	0.3
403.19617	1.1
404.20129	1.2
405.20688	10.1
406.21375	5.2
407.22272	12.8
408.22534	0.9
412.16110	0.3
415.19449	0.4
417.21237	1.3
418.21658	1.0
419.22397	4.4
420.22989	4.7
421.17603	0.6
421.23792	18.5
422.17349	0.9
422.24503	4.1
429.20911	0.6
431.17935	0.5
431.22568	1.0
432.23456	0.8
433.24124	4.4
434.24606	2.5
435.18692	1.5
435.24530	1.5
436.18866	1.5
437.19730	0.9
445.20099	1.7
446.20938	0.8
447.20599	1.5
447.26263	1.0
448.26129	1.0
449.18988	1.6
449.27542	0.5
450.20142	1.6
451.21240	15.1
452.21988	4.1
453.22562	0.4
459.22104	0.6
460.22369	1.0
461.23724	1.6
463.21536	2.4
464.21786	1.7
465.22797	18.4
466.23471	2.6
472.18481	0.4
473.19052	1.9
475.20142	0.5
475.24875	1.6
476.25534	0.9
477.22507	1.1
478.23706	2.0
479.24442	1.6
486.20807	0.5
487.21130	2.3
488.21869	2.0
489.22891	0.7
491.19858	2.2
492.20438	2.0
493.26495	1.9
501.22983	2.3
502.23477	1.1
503.24377	13.5
504.24789	1.6
505.22495	1.1
507.27484	11.5
508.28256	2.8
519.23895	1.0
520.24390	0.5
521.21594	0.3
523.23297	3.7
533.25574	1.5
535.26984	14.1
536.27295	1.5
537.24915	10.3
538.25165	0.9
547.23273	0.5
551.26440	5.7
552.27246	15.4
553.27753	1.0
561.24951	4.0
562.25513	1.2
579.25848	6.9
580.26422	2.4
593.27509	1.1
595.29028	5.5
607.25769	0.5
611.27771	0.4
621.26984	15.2
622.27258	0.7
639.28027	100.0
640.28345	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	639.2797
Annotation	Moluccensin G
Peak:m/z	Relative Intensity
54.59097	0.2
57.07063	0.3
63.02619	0.2
67.05486	0.2
69.28574	2.0
71.08614	0.3
73.68612	0.2
79.14072	0.2
81.07060	0.4
82.25793	0.2
84.82979	0.2
85.10183	0.3
93.42168	0.2
95.04949	0.2
107.08576	0.2
120.08128	0.2
130.08638	0.3
133.08644	0.3
172.03867	0.3
184.80338	0.2
204.06587	0.6
225.10168	0.5
227.11797	0.3
236.09543	0.2
239.11769	0.4
240.12560	0.2
248.51712	0.2
249.10262	0.3
250.11028	0.3
251.11787	0.5
263.08408	0.2
263.11771	0.2
265.13513	0.3
272.40131	0.2
285.12457	0.3
302.13010	0.2
318.16034	0.2
325.11847	0.2
325.15494	0.3
327.13748	0.2
328.14200	0.3
340.10699	0.3
356.13873	0.3
391.15509	0.7
392.15933	0.4
393.16971	0.7
393.20990	0.5
394.21408	0.3
400.16345	0.3
403.18869	0.2
405.17096	0.7
406.17810	0.9
407.18640	1.6
408.19229	0.5
417.16867	0.4
418.18085	0.3
419.14301	0.6
419.19455	1.1
420.15570	0.7
420.19724	0.7
421.20395	5.1
422.20761	1.7
423.21689	0.8
430.17538	0.3
431.18961	0.4
432.19449	0.7
433.15982	0.8
433.20370	1.2
434.17419	1.3
434.21777	0.6
435.17404	2.8
436.23056	1.8
437.23364	0.4
445.16202	0.5
447.21811	1.3
448.18567	2.0
449.19568	8.5
450.20163	3.0
451.21359	0.6
459.18405	0.8
460.18594	0.5
461.19965	1.3
462.20395	0.7
463.21640	4.4
464.21994	5.8
464.27991	0.4
465.23148	1.0
473.19489	0.5
474.20184	0.7
475.21570	1.6
476.18301	0.6
477.18713	4.4
478.19659	2.1
479.20520	1.1
481.22235	0.3
489.19263	0.3
491.19904	1.1
492.21075	1.4
493.22168	0.8
494.23248	0.3
495.23965	0.6
504.21802	0.4
505.22223	0.8
507.24457	1.1
508.24911	0.3
509.25604	0.3
519.19586	0.3
521.21759	0.4
523.22742	2.3
524.23889	0.3
532.21106	0.3
533.22235	1.0
535.23486	2.7
536.24066	1.4
537.22015	1.6
546.22491	0.3
547.23511	0.4
549.21228	0.4
550.25854	1.2
551.26398	2.5
561.24890	3.3
562.25323	0.4
563.22949	0.6
564.23584	4.9
565.24310	2.4
566.24878	0.4
567.24969	0.3
578.24933	0.3
579.25903	5.3
580.26239	0.6
581.23926	0.6
592.23206	0.4
595.25330	2.8
596.26068	1.4
597.26947	0.4
607.25378	0.7
610.27185	0.8
611.28033	0.6
621.27008	2.6
622.26727	0.5
624.15967	0.4
624.25647	4.2
625.25671	0.4
639.27972	100.0
640.28290	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	639.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60295	0.8
53.84082	0.9
67.05491	2.0
70.13736	0.9
71.53635	1.0
79.05478	2.3
81.07050	1.9
91.05431	1.7
93.07051	1.4
95.04945	0.9
95.08501	0.9
105.07018	1.5
106.06526	0.9
107.07352	1.0
107.08597	1.2
108.08135	1.7
120.04436	1.7
120.08055	7.3
122.09661	2.1
130.58878	0.8
144.04456	1.1
146.06013	1.5
148.07556	1.8
150.09114	2.1
158.09628	0.9
172.03889	7.4
187.08650	1.9
195.09181	1.1
197.10715	1.4
198.09230	1.1
199.12425	0.9
201.10172	1.1
204.06548	9.8
210.11504	1.1
211.08647	2.2
223.08644	1.6
223.12222	1.1
225.10257	3.5
225.13837	1.8
227.11771	5.0
235.08572	1.2
236.09402	2.2
237.10178	1.6
238.11148	1.0
239.11752	1.2
249.10309	4.6
251.08177	1.3
251.11812	3.9
253.09827	1.9
253.13429	2.1
261.10202	1.3
263.08286	1.0
263.11816	1.6
264.08820	0.9
264.24957	0.8
265.09711	1.2
277.09561	1.7
279.11298	3.2
281.09161	0.8
285.12390	2.5
289.12454	1.1
291.11368	1.2
296.35333	0.9
299.13940	1.5
302.09619	0.8
303.11404	0.9
303.14877	0.9
305.26938	1.0
307.10776	1.5
309.12524	1.9
311.13977	2.4
312.11496	1.2
313.12424	0.9
314.12921	2.7
325.12378	1.5
326.12799	2.2
327.13998	1.6
328.10748	1.5
328.14365	3.5
330.16214	1.5
339.13577	2.6
340.14316	2.2
340.75827	0.8
341.15247	1.2
342.12354	5.2
342.16086	2.7
343.16705	0.9
344.13892	1.7
351.13373	1.4
354.12302	2.1
354.16071	1.1
355.13055	2.3
356.13889	4.4
356.17810	2.3
357.14569	2.1
358.15567	1.7
367.13358	1.0
368.13971	3.8
369.14673	1.4
370.11642	1.1
370.15427	5.0
371.16141	1.7
382.15552	2.2
383.16208	2.3
384.17410	4.2
391.15823	1.0
396.13354	1.4
398.14929	1.6
400.16483	1.4
410.15213	1.8
411.16159	0.9
412.16449	3.4
414.18301	1.1
419.14835	1.9
426.18137	3.8
428.15762	1.2
429.16583	1.4
430.17557	1.9
433.16489	1.7
434.17276	1.2
435.17978	2.0
442.17508	1.8
444.19159	10.1
447.18222	1.6
449.19287	4.1
452.16476	1.5
461.19937	1.2
463.21283	1.2
464.21829	1.2
470.17123	2.7
472.18414	1.2
477.18915	1.1
477.23264	1.4
504.20795	1.3
505.22305	1.6
509.25388	1.0
519.23981	1.8
521.21893	1.1
533.25610	1.5
551.26526	10.4
561.25470	1.2
579.25806	10.3
607.25513	10.6
608.25360	1.2
611.28510	48.4
612.29028	4.3
621.27069	2.1
639.28027	100.0
640.28247	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	638.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.6
55.01855	0.4
55.05488	0.6
56.05027	0.7
57.03404	0.4
59.05001	0.5
59.18176	0.3
60.04508	0.8
60.87550	0.3
67.05484	1.1
69.03421	2.2
69.07053	0.9
69.88799	1.7
70.06583	6.4
71.04967	1.0
71.06904	0.5
72.08134	3.0
73.02901	0.9
73.06541	1.6
79.05473	0.9
81.02900	0.3
81.03399	1.5
81.07043	1.2
82.06563	1.4
83.04980	0.6
84.04482	1.2
84.08136	4.2
85.02886	4.1
85.06538	0.7
86.06042	0.6
86.09690	3.2
87.04455	8.7
88.02190	0.8
88.03955	0.9
89.06017	100.0
90.06358	0.6
91.05464	1.5
91.07590	0.6
93.07022	1.4
95.04950	1.5
95.08565	0.9
96.59808	0.4
97.02875	1.7
98.06001	0.5
99.04427	0.9
99.54944	0.4
100.07592	1.6
101.07039	0.4
103.05445	1.6
104.05800	0.5
105.07008	1.3
107.04943	1.2
107.07044	3.7
107.08540	0.8
109.02867	1.4
109.06508	0.9
109.10145	0.8
110.07157	0.8
111.08077	0.5
111.52776	0.4
113.05949	0.4
115.05447	0.5
116.07088	0.8
117.09122	0.9
119.04926	0.9
119.08549	1.3
120.08093	1.3
121.06441	0.4
121.10155	0.6
122.02681	0.5
122.05976	0.6
123.04400	0.6
123.08009	0.4
124.07562	0.7
125.09606	0.6
125.53417	0.4
127.03877	1.1
128.07018	0.7
130.08615	4.3
131.04919	3.4
131.05750	0.5
131.06195	0.4
131.07013	3.2
131.08586	0.7
132.05252	1.3
133.08580	61.4
134.04465	0.6
134.08884	0.5
136.06168	1.1
136.07578	1.8
137.05946	1.4
140.07085	0.9
145.02827	0.6
145.04980	0.7
145.10083	0.8
146.08092	3.5
147.04382	2.1
147.08167	0.5
149.05957	1.1
151.03841	0.7
151.09712	0.5
159.11678	0.4
161.05925	3.3
163.07581	1.2
165.05507	0.4
165.09116	0.4
166.08563	0.5
167.07037	0.9
173.13089	0.7
175.09650	1.8
177.05475	1.7
177.11197	29.7
181.04964	0.7
187.07501	0.6
195.12341	0.6
203.03392	0.7
203.06992	4.4
209.08003	0.5
209.15387	1.0
210.08502	0.5
219.12219	0.9
221.13800	5.9
233.08174	0.5
239.14856	2.9
265.16431	1.5
267.11246	0.4
283.10126	0.4
283.17453	4.0
298.28592	0.9
303.04953	0.5
309.19037	1.6
313.11783	0.6
315.04871	1.5
325.10461	0.5
327.20065	3.1
329.02939	1.0
336.10806	0.6
337.09109	0.9
353.21732	1.3
371.22672	3.7
415.25323	3.7
441.27176	0.9
459.27939	57.3
460.28192	2.0
477.10257	0.8
539.23639	0.5
606.19916	1.3
620.21918	0.7
638.22766	3.6
638.35040	2.2
639.22314	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89194	0.6
57.07056	1.1
67.05474	0.6
69.85138	4.1
70.72953	0.6
81.07040	1.1
95.08623	0.7
109.10139	0.8
111.76676	0.7
130.08620	0.7
152.14928	0.6
203.22198	0.7
391.19272	1.3
392.19632	0.9
400.17252	1.1
404.20291	0.9
405.20526	3.5
406.21362	4.3
413.17728	1.0
414.18304	1.7
415.19141	2.9
417.20886	1.6
418.21823	0.8
420.22983	3.6
421.23892	5.7
428.19946	1.5
429.20734	7.2
430.21738	2.0
431.18497	1.7
432.23111	0.7
433.24554	1.3
434.24960	1.2
442.21622	1.1
443.22403	4.6
444.23096	2.8
445.20251	2.4
455.18347	1.1
457.24863	3.0
458.25067	4.8
459.21707	5.8
460.22549	3.9
461.19504	5.0
471.21976	0.9
472.22644	5.0
473.19266	1.4
475.21439	2.2
476.21680	4.5
485.23367	11.2
486.20242	0.9
486.24438	2.1
487.20700	1.2
488.22018	3.3
499.21448	1.1
500.22025	1.4
503.24368	13.4
513.22754	2.8
514.23859	1.8
517.25879	6.4
529.25952	2.1
535.27039	18.0
536.27277	0.9
545.25385	55.2
546.25488	3.8
549.24976	0.8
563.26727	5.2
573.24841	13.9
574.25092	0.8
577.27509	1.3
578.28040	0.9
605.27478	53.9
606.27905	2.5
637.30103	100.0
638.30371	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	637.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45595	0.4
53.03909	0.6
53.67115	0.3
55.01826	0.8
55.05485	0.7
56.00406	0.3
56.05017	0.7
57.03405	0.6
61.01107	0.5
67.05457	1.6
69.03380	1.3
69.07024	1.3
70.06578	2.3
71.04954	1.0
71.06845	0.4
71.53543	0.7
72.08107	1.0
73.02888	0.8
76.02171	0.9
76.22668	0.3
77.03873	0.4
79.05446	0.8
81.03378	1.4
81.07040	2.7
83.04928	0.8
84.04438	0.7
84.08096	1.5
85.02887	2.2
85.06539	0.4
86.09664	1.2
91.05441	2.1
93.07026	3.3
94.06526	0.8
95.04898	1.2
95.08547	1.7
96.08073	0.4
96.56298	0.4
97.02857	0.8
97.06479	0.5
99.04420	0.6
100.97462	0.4
101.83058	0.3
104.05312	2.0
105.01855	0.4
105.07014	2.3
106.06492	1.0
107.04904	0.7
107.08543	2.0
108.08060	0.7
109.02812	0.5
109.10107	1.0
111.08036	0.7
113.16981	0.4
119.08540	3.4
120.08067	2.2
121.06462	0.6
121.10095	3.0
122.05974	1.3
123.04317	0.5
123.11667	0.7
124.07556	7.9
125.09564	0.7
127.03830	0.7
129.05322	0.4
130.08577	1.0
131.04831	0.6
131.08430	0.6
133.10066	1.5
134.05960	0.6
135.08008	0.5
135.11623	0.5
136.07547	21.2
137.05879	1.4
137.07823	0.4
137.09598	1.1
139.03831	0.4
139.11105	0.5
140.06982	1.1
145.04918	0.4
145.10011	0.9
146.05966	1.6
146.09560	0.6
147.04352	0.7
147.08014	0.4
147.11546	0.5
148.07553	6.6
149.05975	0.4
149.09593	2.1
150.08997	0.6
151.03899	0.6
151.11137	0.5
153.05429	0.4
155.43073	0.4
158.05927	0.5
161.09586	0.7
161.13208	0.5
162.07570	1.4
162.08879	0.5
164.07028	48.1
165.07367	0.7
165.09079	0.7
166.08594	11.9
167.07014	1.2
167.10600	0.5
174.05507	0.5
174.09061	0.5
175.14755	1.3
176.07027	1.4
177.05518	0.8
178.05013	0.4
179.04785	0.9
179.06950	0.5
183.06412	0.4
190.04965	1.0
192.10153	1.4
203.07068	0.8
208.09621	0.5
209.08076	0.7
209.10719	0.9
210.08949	0.4
210.11456	1.2
211.12187	1.1
217.08444	0.7
218.08095	1.2
223.12296	2.1
224.12975	2.4
227.11748	1.1
235.08669	0.6
235.12297	0.5
236.13116	0.5
237.10127	1.4
237.13704	2.1
238.10916	3.3
238.14615	0.4
239.11726	7.7
240.12350	0.6
246.07523	0.5
249.10214	1.1
249.13997	0.7
250.10866	2.1
251.11754	7.1
252.12442	2.8
253.13261	3.9
255.11186	0.5
260.10614	1.2
263.11740	2.3
263.14163	0.6
264.08759	0.4
264.12589	0.9
265.13318	12.6
266.13858	1.2
267.11172	0.7
267.14941	0.7
269.12781	2.5
270.13586	0.7
271.11282	0.4
271.14319	4.6
277.09656	1.1
278.10391	0.8
279.08365	0.8
279.11224	10.4
280.11847	1.1
281.42709	0.4
283.14334	4.2
284.14758	0.8
287.13766	2.1
291.11157	1.5
293.12811	6.2
294.11459	0.4
295.10718	2.4
295.14035	0.8
296.11508	1.3
297.12265	5.8
298.13040	1.0
299.13394	0.6
303.13382	0.8
305.14868	0.5
308.09131	0.6
309.12274	8.2
310.13022	5.3
311.13824	66.0
312.14529	14.2
313.11932	0.5
313.15292	6.5
314.16336	0.6
315.13287	0.8
319.10721	1.7
319.22729	0.6
321.12183	1.0
323.15961	2.1
331.16229	0.5
337.11743	18.9
337.23572	0.4
338.12439	5.8
339.13257	5.3
340.13724	0.7
357.14276	1.3
366.18369	0.5
371.14911	0.4
373.18576	0.5
390.18130	0.4
399.15494	0.5
400.16541	0.6
401.13452	1.4
417.16394	0.5
432.18881	0.9
436.22232	100.0
437.22574	7.0
458.17093	1.0
462.20163	9.6
463.20282	1.0
476.18033	1.0
480.21210	9.6
481.21414	1.0
494.19214	1.3
508.08838	0.4
533.27814	0.7
556.21088	0.4
557.27576	2.5
559.25287	0.7
575.28430	1.0
583.25525	1.4
593.29645	2.8
601.26526	3.0
619.27515	8.8
620.27765	1.0
637.27808	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
65.10110	0.3
66.63638	0.2
67.05418	0.3
69.48988	0.2
77.28253	0.2
79.05402	0.3
80.85275	0.3
81.06973	0.3
86.70147	0.2
90.05426	0.3
105.06891	0.3
117.23765	0.3
128.11620	0.3
147.02676	0.3
168.07884	0.3
182.09531	0.4
207.13417	0.3
235.12323	0.5
239.11478	0.3
249.10167	0.3
259.12051	0.3
316.44559	0.3
352.14209	0.3
360.14532	0.3
363.15826	0.5
372.14282	0.4
374.16403	0.4
375.16809	0.4
376.17245	0.4
377.17596	0.9
378.18137	0.7
379.19058	0.3
385.14554	0.6
386.15439	0.8
387.16290	0.6
388.17508	0.8
389.17905	0.3
390.18423	0.5
391.18997	1.2
392.19702	1.0
393.20618	1.8
398.15872	0.3
399.16238	2.0
400.16904	2.3
401.17654	3.5
402.18506	0.8
403.19070	0.5
405.16129	0.4
405.20599	1.0
406.21671	0.4
407.22424	2.4
408.22720	0.4
411.16193	0.5
412.17276	0.5
413.17706	2.4
414.18643	3.9
415.19275	7.7
416.19788	1.0
417.20953	1.5
419.18402	0.9
421.20010	2.5
424.16943	0.4
425.17535	1.0
427.19788	2.0
428.20346	3.6
429.21188	7.1
430.21982	2.4
431.18820	0.9
433.20279	0.5
435.21460	1.5
436.22205	0.7
439.19070	1.0
441.16406	1.4
442.17233	1.6
443.18271	3.8
443.22546	3.4
444.18594	4.5
445.20151	2.0
446.21588	0.4
447.17538	0.5
447.22452	0.5
448.18912	0.4
449.18723	0.3
455.18738	0.8
456.19522	1.2
457.20422	4.9
458.21201	3.5
459.18149	0.9
461.19662	0.8
462.20270	0.4
463.20966	0.5
469.16357	0.6
470.17313	0.8
471.22083	7.1
472.23093	3.8
473.19574	4.4
474.20273	1.0
475.21533	0.5
476.17990	0.4
481.20148	0.4
483.18201	0.4
484.18842	0.9
485.19885	2.6
486.20422	5.7
487.21509	2.3
488.21735	0.8
489.22321	1.4
490.19650	2.7
491.20529	0.6
498.20126	0.3
499.21240	10.4
500.22919	2.3
501.22290	0.4
502.19818	1.0
503.25058	3.1
504.21655	0.7
513.19006	1.1
514.20123	0.8
515.20709	0.4
516.21326	1.1
517.22192	4.0
521.25122	0.5
522.25891	0.3
527.20831	2.7
528.21167	1.1
529.22217	0.3
530.22906	0.9
531.23834	12.0
532.24121	0.6
536.38214	0.3
541.22046	0.8
543.23773	1.4
544.21100	0.8
545.21680	0.8
549.24695	1.0
559.23291	76.3
560.23615	3.7
578.25458	0.3
587.22784	13.4
588.23376	0.7
591.26129	0.6
605.24066	0.8
619.25391	100.0
620.25635	4.3
637.26440	16.2
638.26782	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18785	0.5
57.07055	1.1
67.05485	1.5
70.77328	1.5
71.08611	0.6
81.07036	1.6
83.04919	0.5
109.10188	1.2
119.08556	0.7
235.12651	0.6
245.16676	0.5
251.11795	0.6
301.02249	0.6
305.09491	0.5
374.16315	0.9
376.17654	0.7
377.17551	1.8
378.18332	1.1
385.14825	1.0
386.15369	0.5
387.16141	1.3
388.17365	1.2
389.17487	0.6
390.18570	1.2
391.19357	2.7
392.19922	2.0
393.20718	3.2
399.16333	1.2
400.17017	1.6
401.17929	2.5
402.18851	0.6
403.19543	0.9
405.16415	1.0
405.20862	1.9
406.21933	0.8
407.22238	4.3
413.17770	2.1
414.18500	2.9
415.19406	6.2
416.20502	0.6
417.21118	1.1
418.18350	0.9
419.18460	0.9
419.23035	0.9
421.20209	4.1
427.19675	0.7
428.20001	2.3
429.21448	4.9
430.21497	1.6
431.18503	1.5
433.15869	1.2
435.21463	3.4
436.22449	1.5
439.19421	0.9
441.17117	1.5
442.17941	1.2
443.18457	2.4
443.22842	2.1
444.18750	3.3
445.20840	2.8
447.17429	3.0
455.18530	0.7
456.19559	1.0
457.21103	2.8
458.21368	3.0
459.18323	2.4
461.19830	2.2
462.20319	1.0
463.21448	1.5
469.16476	0.7
470.16928	0.8
471.22592	4.6
472.23102	3.6
473.19403	4.7
474.20316	1.9
475.17029	1.3
475.22394	0.8
485.19629	2.8
486.20456	4.5
487.21173	1.6
488.22278	0.8
489.18991	2.4
489.23367	1.9
490.19583	3.4
491.20438	1.0
499.21304	8.1
500.23132	2.4
501.20016	0.8
502.19672	0.7
503.21133	1.5
503.23880	1.8
507.23969	0.8
513.19202	5.5
514.19977	1.2
516.21716	1.4
517.22467	10.9
518.21130	0.8
519.20428	0.8
521.25220	2.0
524.69183	0.6
527.20636	3.3
528.21216	0.9
529.22461	1.5
531.24323	10.0
543.24042	0.9
545.22052	0.9
549.24823	6.8
550.25726	0.8
555.19427	0.7
559.23309	53.9
560.23926	1.9
573.20905	0.8
577.24310	1.8
587.22833	11.6
591.26031	2.8
605.23853	5.5
609.26666	0.6
619.25385	53.9
620.25586	1.5
637.26447	100.0
638.27045	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	635.4504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.9
54.21614	0.4
54.22406	0.2
54.71453	0.3
55.01853	1.6
55.05498	8.0
57.03419	0.8
57.07068	1.4
59.04977	0.3
60.24057	0.2
65.03915	0.6
65.57130	0.2
67.05493	8.5
69.03420	4.4
69.07055	13.8
71.04980	2.8
71.05865	0.8
71.08616	0.8
79.05476	8.6
81.03406	3.1
81.07040	19.1
82.07363	0.3
83.04957	1.3
83.08601	8.9
85.02895	2.0
85.06531	2.4
87.04454	0.4
89.06023	0.5
89.39105	0.2
91.05462	7.4
93.07026	16.8
94.07384	0.3
95.04951	1.7
95.08588	30.2
96.08896	0.4
97.02877	1.3
97.06511	0.8
97.10144	5.8
98.21599	0.3
99.04448	0.3
99.08073	20.4
103.03931	0.5
103.05469	0.5
105.07009	6.1
107.04949	0.7
107.08572	34.1
108.08871	0.4
109.02840	0.8
109.06493	1.1
109.10136	10.1
111.04420	1.0
111.08060	7.8
111.11707	0.8
113.09634	1.9
115.05404	0.4
117.06982	2.4
119.06027	0.3
119.08549	4.5
119.22698	0.3
121.06458	0.7
121.10120	53.3
122.10452	1.0
123.04426	0.4
123.08044	0.9
123.11665	2.1
125.08755	0.4
125.09624	5.8
125.13242	0.4
127.03883	0.8
128.06229	0.4
129.05498	0.4
129.06989	1.6
130.07802	0.3
131.08546	3.2
133.06398	0.4
133.10107	3.3
135.08026	0.6
135.11659	12.2
136.12001	0.3
137.09610	0.6
137.13232	5.7
139.11142	1.3
141.07013	0.4
142.07829	0.3
143.08543	1.4
145.04936	0.4
145.06462	0.4
145.10098	2.4
147.07997	0.5
147.11676	1.9
149.09578	0.7
149.13242	4.7
151.07513	0.3
151.11182	0.3
153.12776	0.3
155.08513	0.4
157.10120	1.0
159.08028	0.3
159.11665	2.4
161.09642	0.5
161.13220	1.4
161.44798	0.3
163.11157	0.4
169.10091	1.0
171.08029	0.4
171.11671	1.0
173.09605	0.6
173.13271	1.6
175.11084	0.3
175.14813	1.1
177.16351	100.0
178.16742	1.9
179.10664	0.4
179.35629	0.2
181.10074	0.5
183.11674	0.7
184.07320	0.4
185.13289	0.9
187.14813	0.6
195.17410	19.5
196.17775	0.5
197.11690	0.8
197.13336	0.5
199.11235	0.3
205.12498	0.3
209.13266	0.4
211.14819	0.3
213.18456	38.3
214.18837	0.9
217.15852	0.4
223.14804	0.4
226.20483	0.3
229.15851	0.4
239.18085	0.3
241.19630	0.3
243.20972	0.4
259.20554	0.7
261.22058	0.9
271.20578	0.4
273.22214	0.4
277.21573	0.7
285.18549	0.3
285.22122	0.5
289.21542	0.7
291.23190	0.7
301.21533	0.4
303.19751	0.5
303.23087	1.5
313.21539	0.4
315.23242	0.7
319.22635	0.6
327.23163	0.4
341.24835	0.7
345.24155	0.6
351.23166	1.2
369.24142	3.0
387.25183	3.2
405.26233	3.2
423.27472	0.7
448.40833	0.3
550.80121	0.4
610.30963	0.3
635.40167	1.0
636.41333	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65616	0.9
53.03926	2.0
55.01846	2.3
55.05504	7.4
57.03416	3.7
57.07059	2.9
59.04994	1.3
61.02907	1.2
67.05496	11.8
69.03417	8.3
69.07059	27.0
70.06580	2.7
71.04967	2.9
71.55279	1.3
72.74159	0.8
73.02911	2.1
79.05476	8.4
81.03407	5.9
81.07047	35.5
83.04954	6.0
83.08601	7.8
84.08130	1.4
85.02892	15.7
85.06529	3.3
87.00815	3.3
91.05468	5.6
93.07024	17.3
95.04961	3.3
95.08585	19.8
95.09155	1.7
97.02885	6.0
97.06519	4.8
97.10141	2.9
99.04456	3.5
99.08058	6.8
105.01861	2.7
105.07017	23.4
107.08572	17.3
109.02884	3.6
109.06497	9.7
109.10138	29.3
111.04433	1.6
111.08076	4.0
111.11693	7.0
113.09540	1.1
113.40399	1.0
115.07597	1.0
117.06959	1.5
119.04929	1.2
119.08574	15.7
121.06541	1.6
121.10124	14.6
123.08048	5.7
123.11689	15.1
125.09611	1.8
125.39841	1.0
126.05491	1.5
127.03925	6.8
127.07486	1.9
127.11170	9.1
129.06998	1.7
130.08618	1.1
131.08557	3.3
133.10118	9.3
135.08066	2.5
135.11667	11.0
137.06007	1.7
137.09636	6.6
137.13234	3.0
139.11153	4.7
143.08534	1.3
145.04936	1.8
145.10114	5.8
147.07892	0.9
147.11661	32.5
149.09607	4.1
149.13255	4.6
151.11179	7.5
153.12744	1.9
157.10060	1.5
159.02888	2.0
159.11661	3.2
161.09592	1.2
161.13225	20.6
162.07597	3.0
163.11215	2.5
163.14822	3.9
165.12724	20.6
167.14140	0.9
171.11699	2.6
173.13254	2.0
175.11162	4.3
175.14700	1.7
177.12755	3.6
177.16394	1.4
179.14272	5.7
181.12131	0.9
183.13724	1.2
187.14789	2.3
189.12737	4.4
189.16313	2.0
191.17856	1.6
193.12213	17.0
194.12538	1.0
199.14780	1.0
201.16318	2.3
203.18051	1.3
207.13760	13.8
207.17389	1.4
213.16386	1.0
217.19498	1.1
219.17552	2.2
225.14700	1.1
229.14359	11.0
237.18456	5.3
243.15868	17.8
245.15215	1.1
255.19524	10.2
257.18994	1.1
277.21533	2.2
281.22763	1.6
285.16809	2.1
299.23676	4.1
307.26620	1.3
309.24130	3.1
317.21088	1.5
317.24677	15.4
335.25729	49.3
336.26184	1.9
352.32239	1.1
353.26804	100.0
354.23398	1.2
354.27231	5.7
371.27844	24.4
404.17236	1.1
439.26755	3.0
471.05307	1.0
604.26166	2.3
636.30823	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.4346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22657	1.0
53.03931	1.5
55.01865	1.2
55.05499	5.6
56.48593	1.0
57.07064	1.6
58.47780	1.1
59.04979	1.3
59.34956	1.0
65.03918	1.1
67.05490	12.1
67.07588	1.2
69.03410	4.7
69.07058	6.3
70.90051	2.3
71.04964	2.8
71.08619	1.7
74.69022	1.0
79.05486	8.1
81.03411	6.5
81.07034	16.9
83.04953	1.6
83.08598	2.2
85.02899	2.5
85.06527	1.2
89.06006	1.1
91.05465	9.5
93.07022	11.6
95.04949	2.6
95.07973	1.2
95.08591	23.1
97.02864	2.0
97.06546	1.1
97.10175	1.3
99.08084	3.4
105.07018	15.8
107.04916	1.6
107.08571	16.1
107.27067	1.0
109.06499	2.0
109.10132	6.9
109.11929	1.0
113.09615	2.2
113.54041	1.0
115.26455	1.0
117.06993	3.7
119.08562	63.0
121.06481	1.3
121.10127	6.1
123.08012	1.9
123.11668	5.5
125.09644	1.7
127.03843	1.9
131.08517	5.3
133.10106	89.1
135.11668	20.1
137.09576	1.6
138.64305	1.1
143.08536	3.2
145.10069	5.4
147.11603	6.2
149.13213	1.6
157.10060	1.5
159.11638	2.7
159.58981	1.1
161.13239	1.2
163.11389	1.2
165.50211	1.3
167.95810	1.0
169.10100	1.3
171.11732	2.2
173.13235	1.9
175.14793	100.0
193.15862	17.9
196.05238	1.0
197.13284	1.1
203.14281	1.1
207.13757	1.0
211.16879	9.7
258.46042	1.3
261.22098	1.2
303.22961	1.2
315.23419	1.5
338.39349	1.2
369.24094	3.8
387.25180	3.7
405.26276	2.3
633.42413	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.5
55.01860	2.5
55.05507	8.7
55.12741	0.7
57.03428	30.3
57.07064	3.1
57.65517	0.7
59.04984	1.1
61.02916	8.6
65.03940	1.3
67.05495	68.0
69.03419	27.0
69.07063	10.0
69.99725	4.2
71.01348	3.4
71.04983	2.9
72.07548	0.9
73.02906	59.9
79.05476	20.2
81.03410	4.4
81.07043	79.0
82.07396	0.9
83.04980	1.5
83.08611	7.6
85.02891	37.8
85.06521	2.7
87.04471	2.9
91.03911	1.4
91.05463	13.0
93.07029	25.1
95.04965	3.3
95.08593	67.0
96.08919	1.7
97.02876	49.3
97.06520	3.2
97.10159	4.3
99.04439	2.4
99.08082	2.8
102.74672	0.8
103.03933	1.1
105.07021	12.0
107.08574	20.0
109.02866	3.5
109.06523	2.1
109.10138	41.9
111.08076	2.3
113.09707	1.0
115.03914	34.2
117.07005	3.3
119.08559	11.1
121.10126	24.6
122.10435	1.0
123.08083	2.6
123.11686	28.5
125.09628	2.7
127.03888	13.2
129.06981	1.0
130.08633	1.9
131.08560	11.1
132.06602	1.5
133.04951	8.0
133.10120	9.9
133.19702	0.9
135.08078	1.5
135.11668	18.3
136.12024	0.9
137.09595	2.2
137.13228	11.8
139.11162	2.3
145.04942	10.0
145.10092	11.7
147.11649	9.6
149.09526	0.9
149.13240	13.6
150.07579	2.8
151.11168	4.3
151.14848	4.2
153.12747	1.4
159.11676	9.9
161.13245	9.1
161.82001	0.8
163.05992	2.6
163.11156	2.8
163.14789	11.0
165.12735	5.0
165.16434	1.4
166.98393	1.7
167.14331	1.1
169.05016	1.0
173.13206	12.7
175.14812	3.9
177.12720	3.5
177.16345	7.0
179.14313	4.2
187.14813	7.6
189.16446	1.0
191.14319	2.6
193.04979	1.5
199.06050	0.9
201.16364	2.7
205.15816	3.2
213.14806	1.2
215.18108	1.1
219.17471	1.5
223.06017	4.4
233.22636	2.0
239.16408	2.2
241.07092	3.6
241.17938	1.3
243.21037	38.8
244.21417	1.9
253.18031	1.2
259.08099	3.4
261.22098	83.1
262.22418	4.0
267.19571	2.6
269.82605	1.0
281.21042	1.1
283.39886	0.9
295.10138	2.2
305.24820	3.7
314.96832	1.3
317.83658	0.8
323.25751	100.0
324.26126	4.9
333.15332	1.6
374.98923	1.7
392.99646	0.9
400.68399	0.9
407.18903	1.3
408.18866	1.1
431.05338	1.0
634.21515	1.3
634.40643	1.0
635.19971	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51140	0.4
55.01859	0.8
55.05502	1.0
56.05029	0.5
57.03415	0.8
61.02913	0.5
65.03925	0.6
67.05495	2.3
68.05008	1.8
69.03409	1.5
69.07047	1.9
70.06576	2.7
70.90388	1.0
71.04965	0.9
72.08134	1.3
73.02910	0.6
77.03942	0.4
79.05479	2.8
80.04978	0.6
81.03389	1.2
81.05787	1.3
81.07045	3.4
82.06570	0.4
83.04963	1.0
84.04471	0.5
84.08125	2.3
85.02905	2.2
85.06512	0.8
86.09653	1.0
87.00820	0.6
87.04419	0.4
89.05998	0.9
91.05459	2.0
93.07030	3.0
94.06548	1.9
95.04945	2.0
95.08579	1.8
96.04469	0.7
96.08120	4.0
96.08728	0.7
97.02811	0.9
97.06509	0.6
97.10198	0.4
99.04430	0.9
103.05450	0.5
105.07019	2.4
106.06510	1.1
107.04946	1.1
107.08571	1.9
108.08099	1.0
109.02858	0.8
109.06506	0.9
109.10114	1.3
110.06040	0.8
118.06515	0.6
119.04957	0.7
119.07408	0.5
119.08546	2.6
120.04426	0.5
120.08062	2.8
120.08781	0.5
121.06499	1.0
121.10114	1.7
122.06034	4.4
123.08045	0.6
123.11695	0.6
124.07568	100.0
125.07932	0.7
127.03865	1.3
130.08606	2.7
131.04886	1.9
131.08884	0.5
133.06441	0.6
133.08527	0.5
133.10107	2.0
134.05978	1.6
135.04463	0.6
135.08044	0.6
136.07539	1.2
137.05952	3.0
137.09608	0.8
138.05450	0.5
139.07567	0.5
140.07014	0.9
143.08597	0.4
145.02832	0.5
145.10077	1.1
146.05984	6.3
146.08043	0.4
147.04401	1.2
147.08023	0.6
147.11626	0.8
148.07545	78.3
149.07938	0.5
149.09558	0.7
150.09106	0.8
151.07399	0.4
151.11066	0.5
152.07021	1.7
157.10110	0.8
160.07574	0.9
161.09589	0.9
162.05513	0.7
162.07613	1.8
163.07571	0.6
164.07056	0.5
165.09093	1.2
166.08607	0.5
167.07010	1.0
172.03853	1.1
173.04671	0.6
173.13277	0.7
174.05518	2.8
175.03833	0.6
176.07043	1.6
177.05421	0.7
187.12405	0.6
190.04970	2.9
191.05717	1.0
192.06520	0.9
196.07390	0.6
197.10681	1.2
198.09108	1.8
199.08655	1.2
200.09294	0.9
201.10226	0.6
208.09637	1.0
211.08624	0.5
213.10234	1.7
214.10925	0.6
215.11778	3.5
225.10210	1.9
227.11768	1.1
229.13216	0.5
237.10133	0.6
238.10934	0.6
239.11797	1.2
241.09689	1.0
243.11266	18.4
245.12794	1.0
251.11708	1.0
253.13332	1.1
255.11256	1.5
256.12070	0.6
257.09256	0.5
257.12756	1.7
259.10587	0.8
265.09644	0.9
267.11105	1.2
269.09418	0.5
269.12726	1.7
271.14362	77.9
272.14780	1.0
273.12305	2.1
275.13702	1.0
275.19946	0.5
283.10538	1.7
284.11258	1.0
285.09424	0.7
285.12289	8.3
287.10138	0.7
289.15341	1.1
297.12256	6.4
299.10242	1.1
299.13660	0.7
301.11835	1.2
302.12662	1.3
303.13333	84.4
304.14047	3.2
305.15076	0.7
310.12549	0.5
311.10205	0.7
311.13834	0.8
313.11813	1.5
314.12698	0.6
315.13239	3.1
316.14328	0.7
317.15390	0.8
318.15906	2.3
319.16757	2.4
321.14383	0.6
329.15408	0.5
330.16000	0.5
331.13461	0.5
332.13965	0.6
332.17599	0.7
342.15854	0.6
344.13751	0.8
345.14703	1.0
346.15414	1.8
347.12527	0.8
347.16165	3.4
348.12604	0.9
348.16580	0.9
358.15469	1.0
359.16415	0.8
360.17093	2.3
362.18625	0.8
368.13849	0.5
371.12527	0.6
372.13150	0.7
373.14014	0.7
374.14902	1.6
376.16815	0.6
377.17221	0.6
378.18225	2.2
379.18674	1.0
386.14832	1.2
387.15543	0.9
388.16391	2.6
389.17230	1.2
392.15851	0.5
400.12262	0.5
402.18405	0.8
404.15607	0.6
406.17532	5.7
408.18939	1.1
414.14249	1.2
415.15152	1.7
416.15973	4.1
420.19086	1.0
430.17441	2.8
431.18182	0.8
433.16708	0.7
434.16956	1.3
446.17136	0.7
448.18631	8.8
449.19336	3.4
450.19894	0.5
468.21167	1.4
474.16400	2.2
475.17230	1.2
476.18054	0.8
555.25867	1.3
573.26959	20.4
574.27283	0.6
581.24017	0.6
585.22559	0.7
599.24890	12.6
600.24817	0.8
617.26404	1.9
635.31567	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.4345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65880	0.8
53.03922	2.7
55.02103	1.0
55.05500	9.1
57.03425	2.2
57.07060	2.8
59.04986	2.3
59.45485	1.1
65.03914	1.0
67.05490	26.9
69.03410	11.5
69.07043	7.6
71.01350	1.1
71.05004	5.3
71.05305	1.7
71.08588	2.1
79.05058	1.1
79.05482	16.1
81.03401	13.9
81.07041	27.9
83.04973	5.4
83.08604	6.2
85.02872	6.7
85.06525	6.0
91.05463	11.9
93.07023	30.9
95.04945	16.2
95.08585	39.4
97.02880	4.6
97.06496	2.2
97.10133	0.9
99.04429	8.9
99.08071	83.5
101.05975	2.1
105.07010	9.6
107.08569	21.2
109.02827	2.3
109.06481	3.3
109.10138	34.3
111.08042	3.7
117.06978	2.8
119.08556	11.5
121.10120	14.4
123.08010	1.6
123.11674	12.2
125.09598	6.3
127.03880	3.6
129.07010	1.1
131.08537	5.8
133.10091	9.7
135.07999	2.3
135.11659	28.2
137.08627	1.5
137.09598	14.4
139.11145	1.0
145.02831	1.1
145.10101	4.1
147.11624	4.2
149.13202	2.7
151.11143	1.6
153.09076	1.6
155.10635	29.4
159.11652	3.2
161.13203	2.8
163.14848	1.2
163.27048	1.0
165.16313	5.1
173.13237	3.0
175.14792	7.1
183.11568	1.1
185.13219	1.1
193.15833	33.4
201.24550	1.1
207.13817	1.4
211.16885	100.0
212.17162	2.4
245.11748	2.1
261.22031	3.3
301.17963	1.9
303.23050	1.8
319.18921	0.9
369.24185	1.7
387.24924	2.7
405.26038	1.4
633.38757	1.3
633.43982	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	633.4346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.2
53.03933	3.4
55.01863	2.3
55.05503	24.0
57.03418	3.7
57.07058	3.4
59.04974	2.5
65.03923	1.2
67.05493	24.8
69.03417	9.9
69.06677	1.5
69.07054	25.6
69.77476	2.2
69.77885	3.7
71.01330	1.1
71.04975	4.1
71.08613	1.5
74.51330	1.0
77.03886	1.0
79.05482	19.8
81.03398	10.0
81.07040	38.2
83.04963	6.0
83.08604	12.2
85.02888	6.3
85.06537	5.4
91.05458	22.3
93.07029	57.3
95.04959	10.5
95.08593	41.6
97.02866	4.9
97.06509	2.3
97.10145	1.4
99.04446	3.5
99.08073	45.9
101.05971	1.0
105.04457	1.1
105.07015	33.5
107.04944	2.4
107.08572	57.4
109.02875	3.4
109.06516	4.5
109.10136	29.3
111.04395	2.2
111.08061	7.7
113.09643	1.8
115.05418	1.1
117.07007	8.0
119.08562	57.3
121.06482	2.0
121.10119	37.9
123.04396	2.1
123.08055	6.1
123.11684	11.1
125.09624	2.1
127.03885	3.4
128.06261	1.1
129.05470	1.3
129.06975	4.7
130.08633	0.9
131.08563	11.8
133.10103	88.6
134.10458	1.6
135.08043	3.6
135.11670	38.3
137.05968	1.4
137.09587	18.1
137.13176	1.3
139.11180	1.9
141.06934	1.5
142.07762	1.3
143.08528	5.1
145.06456	2.5
145.10107	8.9
147.07968	1.8
147.11673	10.5
149.09537	2.1
149.13229	59.4
151.11151	12.3
151.14810	2.4
153.09087	1.1
155.08513	3.7
155.10645	3.7
157.10089	4.1
159.08015	1.0
159.11676	8.7
161.09702	1.3
161.13260	4.8
163.11125	1.9
163.14864	1.6
165.09079	1.6
166.07805	1.3
167.08501	1.6
167.14320	1.9
169.10150	3.4
171.08029	1.2
171.11612	6.0
173.09642	1.4
173.13210	6.5
175.11432	1.9
175.14787	77.0
176.15096	1.5
177.12750	3.1
177.16347	2.5
179.14336	1.3
181.10072	1.1
183.11662	3.2
185.13240	2.8
187.11156	1.2
187.14848	1.8
189.12808	1.2
191.14291	2.0
193.15845	100.0
194.16281	1.4
195.11781	1.3
195.13719	1.3
197.13197	1.7
199.11115	1.3
199.14809	1.6
203.14354	1.5
207.11702	1.1
209.13242	0.9
211.14914	1.9
211.16882	41.8
211.74857	0.9
213.12773	1.2
213.16362	1.4
217.15782	1.0
221.15288	2.3
225.16263	1.3
243.21062	2.1
259.20602	1.3
261.22156	3.0
277.21481	1.7
287.19785	1.4
301.17932	1.6
301.21600	2.8
303.23074	3.9
319.22726	1.2
327.22974	1.0
341.24774	2.0
351.23059	2.7
369.24219	6.5
387.25174	6.6
405.26102	5.4
423.27338	1.5
460.08551	1.1
527.40277	1.0
597.40942	2.7
615.41522	2.3
633.45361	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	633.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.8
53.49319	0.7
55.01880	0.7
56.05004	1.1
57.04929	0.6
65.03919	1.1
67.05485	2.3
69.07047	3.9
69.96966	2.6
70.06589	5.5
71.04974	0.7
72.08145	1.7
79.05466	1.5
81.03411	1.2
81.07012	1.0
84.04488	1.4
84.08125	2.6
85.02881	1.7
86.09698	2.7
91.05468	1.3
93.07001	1.2
93.08820	0.7
94.06558	6.5
95.04931	2.0
97.02824	1.0
105.07005	1.6
106.06525	2.9
107.04943	0.9
107.07316	1.1
108.08080	3.2
109.02865	0.9
109.06496	1.2
112.07584	1.4
119.08533	2.0
120.08092	2.0
121.02855	1.1
122.06005	19.4
123.04422	1.3
124.07556	3.4
127.03713	0.7
129.10239	1.4
132.08029	0.8
133.10095	0.9
134.05942	1.2
136.07555	13.7
137.05974	1.3
140.07034	29.8
144.04402	1.9
146.05984	13.9
146.09602	1.9
147.04370	1.3
148.07536	7.3
150.09108	1.8
152.07025	2.8
154.08557	1.3
162.05475	1.7
162.09065	0.9
164.07036	12.2
166.08597	15.4
167.06989	1.0
168.10139	0.9
172.03902	16.8
173.04684	0.8
174.05472	9.4
176.07037	10.6
177.05496	1.5
186.09067	0.9
186.12674	1.0
190.04922	3.8
191.03355	2.5
191.05685	1.5
192.03722	0.9
192.06349	1.0
197.10727	1.9
198.09103	1.5
204.06522	34.3
204.08446	1.7
206.08057	11.3
210.11447	1.3
211.12276	2.3
212.10492	0.9
213.10220	1.1
215.11771	6.5
218.08145	2.0
220.09689	1.0
221.10815	1.5
222.11418	1.6
223.12250	2.0
224.13075	0.9
225.10165	2.5
227.11736	1.8
228.06856	0.9
229.09811	1.1
229.13333	11.4
235.08597	2.7
235.12198	2.5
236.09306	0.8
236.12949	1.5
237.10149	7.6
237.13731	3.8
238.10881	6.4
239.11726	12.0
241.09618	4.7
242.10471	1.8
243.11221	1.0
246.07518	2.1
247.12093	1.0
248.09384	2.9
249.10132	7.6
250.10881	6.3
251.11742	13.5
252.12434	2.6
253.13303	3.3
255.11201	2.4
261.12347	1.9
262.11224	1.1
263.11746	20.9
264.08789	2.5
264.12439	4.4
265.09711	7.2
265.13297	35.2
266.10379	2.7
266.13995	2.2
267.11325	5.7
268.11945	1.2
269.12741	1.8
271.14380	10.2
275.11786	1.8
275.14542	0.8
277.09641	7.8
277.12982	1.7
278.10468	4.0
279.11209	74.6
280.11908	6.3
281.12772	4.4
282.13675	1.0
283.10733	1.6
283.14261	1.4
284.11478	1.1
285.12238	2.6
287.13821	6.5
289.15414	41.2
291.11215	8.2
292.11990	3.4
293.09152	3.1
293.12766	11.1
294.10339	1.1
294.13379	4.0
295.10657	6.3
295.14252	2.7
296.11444	3.4
297.12268	40.9
298.13071	8.8
299.13803	3.3
303.04956	0.9
305.12711	1.4
309.12277	53.1
310.13037	26.0
311.10370	1.3
311.13770	5.3
313.11749	9.1
319.10690	7.3
320.11179	1.4
321.12222	6.5
323.10196	1.3
324.11102	1.2
325.11823	3.6
325.15250	1.0
331.12924	5.6
337.11746	80.5
338.12531	30.2
338.18622	1.2
339.13321	40.5
340.13928	3.0
341.14841	1.2
345.14365	22.5
352.14017	0.8
360.16595	1.0
363.15775	1.9
369.14368	19.8
370.15283	4.7
371.15933	11.4
372.16620	1.4
374.18698	1.2
374.52975	0.8
382.17462	2.4
400.16406	4.4
401.17374	1.2
402.17990	2.2
414.18317	1.0
416.19495	2.7
418.17313	2.3
419.18246	0.8
432.18884	3.1
438.20126	8.4
442.17313	3.3
448.18765	1.7
450.20374	1.3
460.18585	37.9
461.19495	7.5
462.19827	2.4
478.19629	45.4
479.20087	2.6
480.21292	4.6
492.21222	4.4
493.21869	1.0
496.20563	2.7
510.14960	1.5
510.22189	18.0
511.22690	1.5
557.27704	2.3
559.25348	1.7
573.27051	3.4
583.25378	4.7
601.26453	100.0
602.26697	4.5
633.29218	15.5
634.29309	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.4
55.01831	0.5
55.05478	0.6
67.05460	1.2
69.03403	0.7
69.07057	1.8
69.49434	2.9
70.06550	0.6
71.04962	0.7
71.84582	0.3
79.05457	0.6
81.03378	0.5
81.07002	1.1
83.04945	0.7
84.04469	0.3
84.08128	2.5
85.02843	1.2
86.09646	0.5
91.05438	1.1
93.05709	0.3
93.07000	0.8
94.06564	1.9
95.04907	0.8
95.08543	0.7
97.02843	0.6
105.06980	0.8
106.06518	0.7
107.08516	0.8
108.08071	1.1
109.10085	0.6
110.05983	0.4
112.07610	0.4
119.08485	0.7
120.04416	0.6
120.08058	1.0
121.10076	0.8
122.06010	6.3
124.07535	0.8
127.03841	0.5
129.10190	0.6
130.08577	0.9
134.05969	2.2
136.07547	12.9
138.05446	1.2
140.07028	9.0
143.08417	0.3
144.04427	0.7
144.06459	0.5
145.10054	0.5
146.05986	4.9
146.09569	1.2
147.06595	0.4
148.07558	3.2
150.09132	0.8
152.07007	2.3
161.09512	0.4
162.05504	0.7
162.07530	2.0
162.08960	0.8
164.07037	18.1
165.07428	0.5
166.08578	5.1
172.03893	6.0
174.05502	3.2
176.07043	10.1
190.04901	1.4
192.06459	1.2
197.10585	0.5
198.11436	0.3
204.06505	9.2
204.49162	0.4
206.08067	3.1
208.09567	1.9
209.10612	0.6
210.11464	2.9
211.08696	0.5
211.12257	2.0
212.13094	0.4
216.10220	0.4
218.08076	0.8
220.09712	0.5
221.10693	1.2
222.11427	1.2
223.12180	1.8
224.09396	0.8
224.12993	1.4
225.10187	2.7
225.13773	0.8
226.10883	0.4
227.11725	1.4
229.13219	0.6
233.10493	0.4
235.08632	0.8
235.12210	2.8
236.12907	0.8
237.10144	7.2
237.13673	1.8
238.10922	6.6
239.11736	9.9
241.09616	0.4
247.12167	1.3
248.09377	3.2
249.10161	5.8
250.10902	4.0
251.11732	9.4
252.09085	0.4
252.12462	1.6
253.09534	0.5
253.13382	2.2
255.11249	1.3
256.11966	0.6
261.09930	0.6
261.12357	1.6
262.10861	1.0
263.11755	21.0
264.08893	0.6
264.09329	0.6
264.12454	4.7
265.09692	6.1
265.13266	21.8
266.10388	1.6
266.13599	1.8
267.11234	2.6
268.11978	0.8
269.12762	2.7
270.13602	0.6
271.14359	4.3
275.11688	0.7
277.09619	2.5
277.13229	1.6
278.10342	3.5
279.11212	62.6
280.11890	6.7
281.12726	3.8
282.13583	1.8
283.10690	1.7
283.14227	1.6
284.11453	1.0
285.12283	2.0
287.13867	4.8
289.15363	1.5
291.11169	7.6
292.11847	2.8
293.12787	6.4
294.09857	0.8
294.13452	1.3
295.10675	3.0
295.14276	1.2
296.11462	2.4
297.12271	40.7
298.12991	5.8
299.13815	1.5
309.12259	49.2
310.13010	18.0
311.13754	7.3
313.11725	2.6
315.13480	0.8
316.14093	0.4
319.10654	3.7
321.12280	6.1
322.13098	0.5
323.10138	0.9
323.13806	0.9
324.10880	1.2
324.14084	0.8
325.11508	3.0
325.15002	0.5
331.12674	1.8
336.10959	0.6
337.11731	45.1
338.12503	18.4
339.13309	42.9
340.13953	2.8
341.14728	0.8
342.15750	0.4
345.14423	3.9
347.16025	0.8
351.13138	0.8
358.15280	0.5
360.16739	0.5
368.13385	0.5
369.14352	46.6
370.15042	9.3
371.15915	37.1
372.16568	1.6
372.62015	0.4
385.13950	0.4
385.30496	0.7
386.15002	0.4
392.19632	0.9
400.16452	2.2
401.17502	0.7
402.18063	0.8
416.19662	0.7
418.17685	1.0
419.18494	0.5
420.18854	0.4
432.19208	0.7
437.19263	0.8
438.20166	2.9
442.17407	2.2
446.16986	0.4
448.18698	0.6
450.20105	1.2
460.18561	26.3
461.19434	1.6
462.19794	0.4
464.17862	0.9
465.19092	1.1
466.19769	1.6
478.19620	18.4
479.20291	2.1
480.21140	5.4
492.21509	1.8
496.20898	0.8
498.22699	0.5
509.20749	0.5
510.22238	100.0
511.22778	4.4
512.22778	1.5
583.25049	1.3
601.26404	51.9
602.26843	1.5
633.28906	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	633.2901
Annotation	Meliacarpinin B
Peak:m/z	Relative Intensity
57.19212	0.8
66.47351	1.0
67.05500	1.0
69.07037	3.5
70.70708	2.9
94.06537	4.1
108.08110	1.6
112.07559	1.1
117.70076	0.9
118.06567	0.9
120.04425	1.1
120.08080	0.8
122.06008	10.4
122.10097	1.0
134.05969	2.4
136.07539	15.3
140.07042	15.4
144.04503	1.2
146.05986	11.2
146.09637	1.6
148.07545	11.2
148.61813	1.0
150.09088	1.2
152.07054	3.4
164.07021	14.6
166.08591	11.5
172.03906	8.0
173.04727	1.0
174.05453	5.9
176.07039	15.8
190.04974	3.9
192.06451	1.9
204.06476	10.3
206.08029	2.2
208.09653	1.8
210.11482	1.2
211.12210	1.9
221.10814	1.1
222.11551	1.1
223.12178	1.1
224.09305	1.7
224.12904	1.4
225.10205	2.9
227.11685	1.0
235.08731	1.4
235.12358	4.2
236.13034	2.3
237.10172	8.7
237.13916	2.5
238.08665	1.4
238.10933	11.5
239.11740	12.0
246.07541	2.2
248.09416	2.0
249.10196	4.4
250.10963	3.8
251.11783	11.3
252.12515	2.1
253.09540	1.0
253.13277	3.2
255.11336	1.0
261.12405	2.7
263.11713	16.0
264.08884	2.5
264.12451	2.8
265.09778	5.1
265.13290	27.8
266.10471	2.1
266.13892	2.0
267.11288	5.0
269.12845	1.7
271.14322	9.2
275.11545	1.4
277.09637	4.3
277.13272	3.3
278.10492	3.0
279.11212	100.0
280.11902	9.5
281.12759	4.0
283.10675	4.3
283.13925	2.0
284.11670	1.3
285.12228	3.0
287.13791	9.9
289.15381	3.2
291.11160	5.4
292.11969	1.5
293.12811	7.5
294.13348	2.5
295.10675	5.0
295.13998	1.7
296.11588	3.2
297.12259	60.1
298.13046	7.2
299.13806	1.5
309.12259	38.1
310.13004	19.6
311.10663	1.1
311.13791	5.9
313.11752	7.1
315.13190	1.0
319.10764	6.4
319.13895	1.3
320.11557	1.2
321.12250	12.1
324.10944	1.9
325.11749	3.3
331.12839	3.7
337.11737	63.7
338.12527	23.2
339.13306	73.1
340.13876	4.2
345.14401	3.9
369.14401	14.7
370.14957	2.9
371.15945	39.3
372.16626	1.5
382.15747	1.0
385.13971	2.2
392.19604	1.2
400.16425	2.6
401.17273	1.9
402.17505	1.6
418.17480	1.6
432.19342	1.3
436.54279	1.2
438.20142	5.9
442.17377	3.9
460.18570	63.4
461.18936	3.6
462.20255	1.7
464.17908	1.4
465.18900	2.7
466.19620	2.7
478.19641	54.0
479.20255	4.5
480.21332	9.3
492.21103	1.4
496.20334	1.9
510.15012	1.8
510.22177	24.4
511.22409	2.5
512.22925	1.1
583.25269	3.3
601.26434	72.8
602.26599	3.9
633.28644	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	631.4361
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06605	0.9
53.00285	1.2
55.05490	4.7
57.03415	3.9
57.07064	98.2
58.04206	13.1
59.04989	45.7
59.05291	1.8
60.04514	1.8
60.13783	1.1
67.05489	4.9
68.06250	1.1
69.03416	1.8
69.07063	7.9
69.69009	7.8
71.04974	3.1
71.08617	100.0
72.05759	21.8
72.08931	1.4
73.02901	12.7
73.06542	27.3
75.04465	1.5
79.05460	2.6
81.03371	1.6
81.07040	6.9
82.07825	3.0
83.04960	1.9
83.08610	6.2
85.06529	2.4
85.10165	80.5
86.07298	2.1
87.04452	39.9
87.08061	1.9
88.05228	4.3
88.07611	2.0
89.06016	46.9
90.01898	64.1
91.05463	2.3
91.07580	2.2
93.07008	2.9
95.04944	6.5
95.08567	5.7
96.09380	2.6
97.06517	2.0
97.10145	4.0
98.21478	2.3
99.04437	2.0
99.08081	1.5
99.11709	7.9
101.05976	4.2
102.05497	1.6
102.06768	1.8
103.07564	22.5
105.07005	3.3
107.07031	1.8
107.08570	3.1
109.06512	2.9
109.10134	5.0
111.08080	1.4
111.11695	1.7
113.05978	1.2
115.07571	1.6
116.08322	5.8
117.09110	20.5
118.06255	1.0
119.06998	1.5
119.08580	2.5
121.08618	1.6
121.10127	2.3
123.07938	1.1
123.11677	1.6
130.08601	2.1
131.07005	5.4
131.08545	2.5
133.07651	1.9
133.08591	26.7
133.10068	5.5
134.04416	1.1
135.07968	1.7
135.11690	1.5
137.13263	1.2
138.11230	1.1
138.13994	4.2
139.14664	1.3
140.15657	1.2
141.16319	6.8
142.89983	1.0
145.10063	1.1
147.10136	4.2
147.11664	1.6
148.09731	1.3
149.11687	1.0
149.13261	1.4
150.11311	1.4
154.60826	1.4
155.14366	1.5
155.17845	1.4
161.11710	6.0
163.09610	1.5
165.11130	1.5
166.17139	1.1
169.15831	5.8
173.13231	4.3
175.09666	2.0
177.11197	11.0
178.07066	9.8
179.12762	3.1
180.12276	2.0
185.19023	1.6
191.12799	1.8
191.14262	8.3
194.13904	2.8
198.19760	3.7
199.20538	9.4
208.15450	5.4
209.08015	4.2
209.13678	2.5
209.15364	7.6
219.12396	1.4
221.13789	2.9
222.09659	16.5
222.16948	7.0
223.15353	3.8
224.14865	4.4
238.16443	2.6
241.15187	1.7
243.23183	5.3
252.18063	6.6
253.16362	3.2
254.15990	1.4
264.15683	1.1
266.12347	5.4
266.19589	6.7
268.17480	4.1
271.16336	3.0
274.56766	1.1
282.19064	2.8
285.17816	2.6
296.20599	7.1
298.18625	1.8
305.23053	1.4
305.26602	1.3
310.22180	10.5
312.20093	2.4
315.18854	1.2
326.21738	6.4
329.20505	2.1
340.23230	8.8
348.30997	5.8
349.25696	2.8
356.22778	4.2
364.30243	1.6
366.50421	1.1
392.33624	11.1
408.33334	1.9
416.21127	10.8
436.36307	4.1
452.35562	2.8
455.34094	1.3
480.38879	27.2
496.37921	2.9
519.26453	1.2
524.41284	3.2
540.40656	5.5
631.44208	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	631.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37947	0.4
53.03918	0.9
55.01852	0.6
55.05511	2.3
57.07072	3.0
59.04975	1.1
67.05493	6.3
69.03418	2.8
69.06712	0.4
69.07053	2.4
70.63624	0.8
70.63980	1.1
71.04969	1.5
71.08630	2.2
71.70792	0.4
75.36028	0.4
79.05480	3.8
81.03401	3.0
81.07036	5.9
83.04950	1.2
83.08585	0.6
85.02872	1.4
85.06524	1.3
85.10153	1.7
87.04449	1.3
89.05995	1.9
91.05460	5.7
93.07026	7.2
95.04955	2.0
95.08587	18.6
97.02865	1.7
97.06499	5.3
99.04424	0.9
99.08087	0.8
103.07571	0.4
105.06392	0.7
105.07018	8.5
107.08582	5.1
109.02871	0.7
109.06486	1.6
109.10152	3.6
111.04393	0.7
111.08044	0.8
115.05401	0.8
117.07022	2.0
118.07816	0.7
119.08560	6.5
121.10124	6.8
123.08054	1.3
123.11672	1.1
127.03903	0.8
129.06978	1.1
130.07770	0.5
130.08623	0.6
131.08537	6.0
133.10100	92.2
134.10437	0.8
135.08018	1.2
135.11659	2.9
137.13162	0.5
139.12724	0.6
143.08511	2.6
145.10106	4.2
147.11687	2.3
149.09590	1.2
149.13242	2.4
151.07439	0.5
151.11131	0.8
155.08586	0.5
157.10074	1.8
158.10873	3.0
159.11681	1.8
161.13245	1.8
163.11177	0.5
163.14824	3.1
169.10046	0.5
171.11652	0.9
173.13229	21.7
175.14801	2.0
183.11751	0.6
185.13277	0.8
187.14760	1.1
191.14267	12.2
195.11652	0.6
197.13315	0.6
201.16466	0.5
209.13399	0.7
209.15350	2.7
221.15424	0.7
230.37901	0.4
261.22162	0.6
303.23151	0.7
369.24179	0.6
387.25269	1.0
411.13440	0.6
412.14117	1.0
413.14453	1.4
414.14990	0.6
425.15067	0.9
426.15988	1.9
427.16220	5.1
428.16916	3.6
429.17612	4.1
430.17780	0.6
439.16809	1.4
440.17847	3.6
441.18015	11.1
442.18512	8.9
443.19128	1.7
444.19827	1.9
453.14978	2.9
454.15097	9.1
455.15311	31.1
456.15753	3.7
456.21283	9.3
457.20779	39.8
458.21036	4.9
466.14462	0.5
467.16641	2.2
468.17133	6.5
469.16992	33.5
470.17471	11.5
471.18161	1.5
473.16910	0.5
475.21976	0.5
482.18747	3.2
483.18765	9.3
484.19165	26.0
485.19803	4.1
486.17160	0.8
487.18213	1.5
488.18823	0.9
495.18771	0.6
496.18546	1.7
497.20529	1.3
498.21921	0.7
501.19781	1.5
510.19980	1.3
511.21790	1.7
514.20941	1.1
515.21436	1.7
516.21777	1.1
525.21844	0.9
528.22198	1.2
529.23608	0.8
530.23718	4.5
543.25031	4.2
544.24927	1.2
555.22632	1.5
556.21442	1.3
569.24188	2.0
570.24310	4.1
571.23999	100.0
572.24109	14.7
599.23523	1.8
602.22485	2.4
603.26813	4.3
613.41138	1.0
616.23145	0.5
631.26007	98.7
632.26178	14.0
632.36633	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.4191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99966	0.7
53.03927	4.8
53.29873	0.7
55.01842	3.2
55.05264	1.2
55.05503	16.1
57.03418	3.1
57.07065	9.0
59.04976	2.6
60.05965	0.7
65.03923	2.3
66.69852	0.8
67.05492	32.5
69.03417	13.5
69.07050	16.6
70.66621	1.7
71.01299	0.8
71.04985	6.2
71.08601	3.1
73.02884	2.4
79.05008	1.0
79.05477	32.0
81.03397	14.6
81.07039	71.2
83.04955	7.5
83.08154	0.8
83.08607	11.6
84.08106	1.1
85.02525	0.7
85.02895	8.6
85.06541	4.6
85.10139	1.9
87.04448	2.5
89.06007	1.8
89.78275	0.7
91.05463	19.3
93.07025	34.7
95.04951	20.6
95.08591	34.2
97.02871	5.7
97.06504	9.1
97.10118	1.7
99.04419	3.1
99.08064	1.7
103.03900	0.9
103.05430	1.0
105.07011	33.9
107.04931	1.7
107.08571	34.4
109.02869	4.5
109.06497	100.0
109.10133	32.8
110.06795	1.7
111.04397	3.1
111.08063	6.3
111.11668	0.8
113.09599	1.7
115.05443	1.8
117.06998	10.1
119.08564	28.4
121.06483	3.4
121.10117	28.1
123.08047	11.2
123.11684	12.9
125.05925	1.9
125.09588	4.2
127.03900	6.6
127.07524	1.6
128.06216	1.6
129.05464	1.4
129.06989	5.9
131.08543	26.8
133.06471	1.3
133.10104	60.1
135.08025	25.5
135.11653	15.9
137.09587	4.4
137.13206	2.5
139.11180	4.5
141.06961	1.5
142.07716	1.9
143.08534	10.2
144.09323	1.6
145.06416	1.3
145.10092	19.7
147.08009	2.4
147.11674	16.9
149.09627	5.0
149.13225	10.4
151.07513	2.4
151.11208	4.5
151.14815	0.9
153.09062	7.0
155.08514	3.2
155.10638	2.4
156.09341	1.0
157.10069	7.9
158.10878	4.3
159.08011	2.1
159.11664	13.7
161.09589	2.5
161.13211	8.8
163.11131	3.2
163.14761	3.5
165.09073	1.2
165.12680	4.1
167.08560	1.1
167.10481	1.0
167.14267	3.2
169.10112	4.6
170.10715	0.9
171.08028	1.3
171.10239	1.6
171.11618	7.8
173.09599	2.0
173.13217	36.1
175.11189	2.3
175.14801	8.0
177.12741	1.1
177.16377	1.1
181.10127	2.3
181.12201	3.6
183.07881	0.8
183.11684	4.3
185.09569	1.3
185.13200	5.7
187.11188	1.1
187.14813	6.2
189.09100	0.9
189.12712	3.1
189.16331	2.9
191.14272	59.9
192.14615	1.7
193.12022	1.2
193.15828	1.5
195.11644	2.4
197.09506	1.0
197.13210	3.3
199.11041	1.0
199.14798	3.6
201.12663	1.4
201.16367	2.5
203.14262	1.8
203.17935	1.2
207.11638	1.2
207.13686	1.9
209.13268	3.2
209.15300	27.6
211.11192	1.0
211.14824	3.1
213.12939	1.1
213.16344	2.7
215.14336	1.0
215.17915	2.0
217.15875	0.9
223.14856	1.6
225.16333	2.0
227.14313	1.2
229.19522	1.5
233.19104	1.0
239.17807	1.1
241.19495	1.3
243.20970	1.3
255.17511	0.8
257.18921	1.1
259.20505	3.0
261.22043	2.8
269.22656	1.0
275.20117	0.9
277.21558	2.5
291.23071	1.0
295.23917	1.0
299.23450	1.8
303.23199	1.3
311.23651	2.0
313.25107	6.6
315.22937	0.9
327.22922	0.9
329.24789	2.0
331.26169	1.7
353.19522	1.3
367.22568	1.2
369.24051	1.1
369.28104	1.4
373.27158	1.6
387.25150	2.7
395.29568	1.2
403.25610	1.1
405.26144	1.7
421.26358	2.7
423.28436	0.9
439.28152	2.9
451.35501	5.6
457.29324	5.5
469.36475	3.1
475.30441	23.1
493.31320	5.3
559.37488	1.3
577.38519	3.4
585.40900	0.9
595.39758	6.2
613.40845	11.5
621.98639	1.0
631.31946	1.2
631.41846	19.1
652.91479	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.4182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21242	0.7
53.03930	1.8
55.01846	0.9
55.05489	4.3
57.07066	3.3
59.04976	0.8
65.03937	0.8
67.05489	9.1
69.03413	14.3
69.07047	3.6
69.27239	0.7
70.06587	0.7
71.04964	1.3
71.08602	2.1
71.53432	0.9
73.02920	0.8
76.02956	0.6
79.05474	10.8
81.03407	3.5
81.07046	12.5
82.06545	0.9
83.04958	1.5
83.08597	2.3
84.08111	0.7
85.02876	1.6
85.06548	1.4
85.10154	1.6
87.04455	2.1
89.06011	3.3
91.05466	9.3
93.07030	15.0
93.07615	0.9
94.07335	0.8
94.36123	0.7
95.04942	3.8
95.08586	10.2
97.02870	1.3
97.06499	2.2
99.04446	0.7
103.05424	1.7
105.07008	19.0
105.07682	1.4
107.04950	4.7
107.08583	10.9
109.02879	1.3
109.06502	5.7
109.10149	6.4
111.04392	1.1
111.08064	1.3
111.17927	0.8
117.06993	2.7
119.08571	10.1
121.06502	5.5
121.10122	23.5
123.08057	4.3
123.11684	7.9
125.05981	0.9
125.09583	5.2
125.39508	0.7
127.03905	1.2
129.06982	1.9
130.08598	1.2
131.08511	6.4
133.06517	0.8
133.07622	0.8
133.08574	1.8
133.10112	6.6
135.08044	3.7
135.11649	3.8
137.09531	1.8
141.06987	1.3
143.08540	3.1
144.09285	1.2
145.10077	5.3
146.08118	3.3
147.08138	1.2
147.11673	3.7
149.09592	100.0
149.13257	2.0
150.09961	1.9
151.07529	1.2
151.11159	6.2
153.09062	1.6
155.08511	1.4
156.09386	1.1
157.10124	3.6
158.10933	0.9
159.11685	3.9
161.09549	0.9
161.13269	1.0
163.11172	1.8
163.14789	1.9
165.09038	1.3
165.12764	1.0
167.06810	0.6
167.10675	3.0
169.10109	2.3
171.11679	3.5
173.13217	7.9
175.11050	0.9
175.14780	1.3
181.12262	0.8
181.45915	0.6
183.11678	2.7
185.13254	2.1
187.11209	1.0
187.14827	2.0
189.12682	1.0
191.14273	52.8
193.15828	1.2
195.11650	0.7
197.13235	1.7
199.14842	1.5
203.14343	1.2
209.13443	1.0
209.15312	19.5
211.11298	0.7
211.14780	1.2
213.16202	0.9
221.15280	3.5
241.19255	1.0
299.20236	0.8
423.27921	0.9
497.25244	0.8
552.23785	1.6
569.38214	0.9
587.39032	0.9
595.39844	1.3
599.40186	1.2
613.40491	3.4
631.27594	1.7
631.41876	5.4
647.83423	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.4
57.03424	0.6
57.07054	0.6
58.06594	0.5
65.03931	0.7
67.05484	1.9
69.03428	1.0
69.07059	1.4
70.06563	1.1
70.23702	2.3
73.02884	1.0
79.05478	1.7
81.03400	1.0
81.07030	1.6
81.38557	0.6
83.04955	0.8
83.08602	1.1
84.04475	0.9
84.08125	0.8
85.02893	1.8
89.05997	1.6
91.05450	1.5
93.07024	2.5
94.06554	5.4
95.04967	1.2
95.08566	1.6
96.04440	0.7
97.02853	0.7
104.04951	0.7
105.06995	1.9
107.08543	1.4
108.08068	1.1
109.02882	0.6
116.04964	1.2
118.06583	0.8
119.08562	0.7
121.05228	0.9
121.10137	2.2
122.06005	20.1
124.07562	3.9
127.03918	0.7
131.04904	1.0
131.08585	0.7
133.06461	0.5
133.08566	0.8
134.05969	1.8
136.07536	2.7
140.07040	6.7
144.04425	1.8
145.10068	0.8
145.97017	0.6
146.06001	6.8
146.61168	0.5
147.04463	0.8
147.06760	1.1
147.07951	0.7
147.11694	1.0
148.07550	1.6
149.09575	0.9
151.07578	0.6
152.07013	0.7
157.10052	0.6
159.11617	0.7
160.03839	0.9
162.05484	1.5
162.07545	3.4
163.11197	0.6
167.07103	0.7
171.11732	0.6
172.03914	11.8
172.07507	1.1
173.04698	3.9
173.13179	0.7
174.05486	7.8
174.09169	0.7
176.07025	6.2
182.09627	1.1
190.04964	2.8
191.05737	7.5
192.06549	1.3
197.10754	2.4
199.08698	0.9
199.12244	1.3
204.06526	27.5
205.06860	0.8
206.08098	3.6
209.07039	0.6
209.10704	1.0
209.13742	0.6
210.09312	1.1
211.08685	2.6
211.12294	0.8
212.09412	1.3
213.10248	1.0
215.11819	1.1
218.07921	0.7
223.08553	1.3
224.09402	1.8
225.10207	7.9
226.10864	1.1
227.11754	14.6
227.13937	1.1
228.12099	0.8
237.10150	3.0
237.46461	0.6
238.10992	1.4
239.11728	5.8
240.12585	1.3
241.09828	1.6
241.13297	1.8
243.11220	4.0
249.10292	2.0
250.11115	0.6
251.08147	1.2
251.11682	2.7
252.08798	3.1
252.12482	0.6
253.09695	4.3
253.13329	0.9
255.11230	1.3
259.14410	0.7
263.11841	0.9
264.09018	0.8
265.09720	2.3
266.10562	0.8
267.11255	12.3
267.14023	0.9
268.11816	0.9
269.09332	2.1
269.12781	16.5
270.13171	0.7
271.10721	8.8
277.09631	1.4
279.07791	0.7
279.11273	1.9
280.08374	0.9
280.11908	0.8
281.12814	1.0
283.10724	8.0
284.11526	5.3
285.12253	3.3
287.13834	29.6
288.14359	1.2
295.10727	20.4
296.11301	0.9
297.12195	4.7
297.18298	0.6
299.14053	1.3
300.14920	0.7
301.11902	4.6
302.12936	1.8
307.10995	0.6
309.12326	3.7
313.11740	27.5
314.12625	1.8
315.13705	2.2
316.14453	5.4
317.15182	0.8
323.10303	2.0
323.13956	0.8
324.11118	1.0
326.16592	1.0
327.13379	22.7
327.16995	1.3
328.14334	3.2
329.11588	2.6
329.15277	2.3
330.12338	2.0
330.15991	6.1
331.12881	12.7
331.16821	7.6
332.17407	1.4
340.14465	1.5
341.11615	1.4
341.15671	0.7
342.12280	4.8
343.13016	4.9
344.13751	1.9
344.17599	5.0
345.14404	14.6
345.18329	1.1
346.19125	0.8
348.28375	0.8
354.16135	1.0
355.13361	1.1
356.13843	4.2
356.17548	0.7
357.14825	2.2
358.15329	6.8
359.12390	0.9
363.15274	0.8
365.11371	1.0
370.11597	1.2
370.15659	2.3
371.12314	1.2
371.16510	1.7
372.17053	4.7
373.13773	4.3
374.14612	0.7
374.18823	0.8
380.13800	1.3
382.11856	2.2
382.16049	0.9
383.12741	2.0
384.13248	11.9
385.14032	3.7
386.14444	4.6
386.18842	2.5
388.16559	1.3
390.18033	4.5
391.18695	1.3
396.17053	1.1
398.14893	13.2
399.15689	22.5
400.16476	27.8
401.16873	1.9
402.14377	2.3
403.18875	1.1
412.16785	1.4
413.17136	0.7
414.18185	6.4
415.19028	1.4
416.15921	3.6
417.16843	6.3
418.17612	7.0
430.17374	2.6
431.18457	2.9
440.15936	3.3
441.16452	1.1
442.17599	0.6
444.15518	2.3
451.17569	0.8
458.17026	29.9
459.17743	14.2
460.18582	2.2
465.19223	0.6
474.16101	0.8
486.07727	0.8
490.19638	7.2
491.20306	2.9
506.19107	1.2
508.20905	1.3
510.22144	1.0
537.25281	1.2
539.22992	3.4
555.23370	1.7
557.23572	2.0
563.23029	2.2
581.23853	38.4
582.24146	2.5
599.24878	100.0
600.25250	6.2
613.26208	1.4
631.27295	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	631.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77995	0.2
52.27344	0.3
55.01842	0.4
55.05470	0.3
65.03902	0.5
67.05469	0.7
68.04983	0.6
69.03417	0.3
69.06725	0.3
69.07056	3.9
71.13444	0.6
79.05469	0.5
80.04970	0.5
91.05436	0.3
93.05741	0.5
94.06551	6.1
95.04951	1.3
97.06524	0.4
104.04967	0.2
106.06496	0.4
108.08072	1.6
110.06033	0.6
112.07615	1.2
116.04924	1.0
118.06498	0.8
120.04433	0.6
120.08076	0.4
122.06006	19.2
123.04385	0.8
124.07533	0.6
130.06505	0.2
132.04369	0.3
134.05959	1.4
136.07462	0.4
140.07036	30.7
140.57249	0.3
141.07454	0.4
144.04431	2.1
144.08035	0.4
145.05121	0.5
146.05980	10.6
147.06741	0.7
148.07529	2.0
152.06995	0.7
154.08524	0.3
158.09683	0.3
160.07460	0.3
162.05475	2.0
163.06216	0.3
168.08028	0.4
172.03897	15.7
172.07500	0.8
173.04689	1.7
174.05476	14.3
176.07045	6.3
178.08580	0.4
182.09616	0.7
184.09763	0.4
185.10690	0.6
186.09157	0.4
187.08572	0.4
190.04967	3.6
191.05765	1.8
192.06509	1.6
197.10706	1.1
198.11501	0.4
199.08644	0.5
199.12247	1.6
204.06517	34.7
205.06979	0.9
206.08083	11.8
208.09641	0.3
209.10674	0.7
210.09073	0.8
210.11475	0.6
211.08586	1.5
211.12260	0.5
212.09402	0.9
213.10164	1.1
214.11000	0.3
216.10143	0.7
221.10674	0.3
223.08650	0.7
223.12228	0.4
224.09421	0.9
225.10156	5.2
226.08919	0.3
226.10941	0.9
227.08273	0.5
227.11739	12.6
228.12161	0.3
229.63060	0.3
235.08496	0.3
236.09326	0.5
237.10220	2.0
238.10968	1.0
239.08124	0.4
239.11726	3.2
240.12500	0.4
241.09628	1.4
241.13313	0.8
243.11263	0.7
244.09483	0.5
249.10187	1.2
250.10887	0.5
251.08049	0.5
251.11771	2.6
252.08731	0.3
253.09645	2.5
253.13326	0.5
255.07570	0.7
255.11217	1.1
261.12177	1.5
262.10898	0.3
263.08151	1.0
263.11603	0.4
264.08896	1.1
265.09680	2.6
266.10413	0.5
267.11215	1.7
268.09595	0.3
269.09607	0.4
269.12790	9.5
270.09967	0.2
271.10703	3.8
274.10876	0.3
277.09711	0.7
278.10501	0.4
279.11130	1.1
280.11877	0.3
281.09299	0.6
283.10706	9.0
284.11499	5.6
285.12268	4.4
286.13293	0.5
287.13837	28.3
288.14294	0.9
289.13367	0.4
291.11536	0.3
293.12662	0.4
295.10690	1.3
296.11542	0.6
297.12350	2.5
298.13123	0.5
300.12122	0.8
301.12061	2.5
302.12891	1.4
305.08945	0.4
310.13028	0.4
312.15024	1.0
313.11746	28.7
314.12845	2.0
315.13782	1.7
316.14407	5.2
316.18024	0.5
317.15070	0.8
321.08731	0.4
321.12314	0.4
323.10114	1.5
324.11093	0.9
325.11957	0.7
326.13214	0.3
326.16525	1.3
327.13809	0.6
327.17267	0.8
328.10983	0.4
328.14450	2.3
329.11536	2.6
329.15317	2.3
330.12280	1.9
330.15985	5.3
331.12833	6.6
331.16745	6.4
332.17371	1.5
338.12955	0.3
339.14182	0.5
340.14355	0.9
340.18115	0.4
341.12100	1.2
342.12262	4.1
342.15903	0.6
343.13028	3.4
343.16550	0.5
344.13773	1.1
344.17462	5.7
345.14380	20.3
346.15176	0.5
346.19052	0.4
351.14160	0.3
354.12274	0.6
354.16055	0.9
355.13739	1.1
355.17441	0.4
356.13806	3.8
356.17056	0.3
357.14957	2.2
358.15448	6.6
359.16162	0.4
363.15372	1.7
365.11441	0.8
366.15912	0.4
367.13239	0.4
368.13913	0.6
368.17838	0.5
369.11102	0.9
370.11658	1.3
370.15656	2.3
371.12350	0.6
371.16214	1.0
372.12903	0.4
372.17026	4.1
374.14542	0.5
374.18637	1.0
380.13974	0.7
382.11423	2.5
382.15646	0.7
383.12442	2.0
384.13300	10.3
384.18048	0.6
385.14142	3.7
386.14502	4.3
386.19492	2.0
387.15375	0.4
388.16455	1.2
390.18021	4.7
391.18436	0.7
392.19638	0.6
394.15445	0.5
396.12930	0.4
396.17496	0.3
397.14902	0.4
398.14886	11.7
399.15698	20.3
400.16473	29.9
401.17081	1.7
402.13950	1.8
402.18893	0.4
403.14368	0.4
403.18994	1.2
412.16467	1.6
413.17230	0.9
414.18024	5.6
415.19217	1.8
416.15735	1.9
417.16745	6.5
418.17493	6.5
419.18353	0.4
422.15073	0.4
430.17471	2.4
431.18286	1.7
440.15942	3.8
441.16708	1.5
442.17383	1.0
444.15506	2.0
458.17010	22.2
459.17755	12.2
460.18506	2.5
490.19632	4.3
491.20367	1.8
492.21527	0.3
539.22009	0.3
555.25745	1.1
557.23871	2.7
581.23853	4.0
599.24878	100.0
600.25146	4.3
631.27435	6.4
632.27802	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35592	0.4
55.01841	0.7
62.20573	0.3
67.05485	1.9
68.05012	0.6
69.03416	0.9
69.07054	3.4
69.85384	2.0
70.06577	1.4
71.04974	0.3
79.05469	1.0
80.05006	0.6
81.07038	1.2
84.08127	0.8
84.27543	0.4
84.84113	0.4
85.02892	0.6
86.09706	0.5
91.05472	1.1
92.05022	0.5
93.05746	0.4
93.07034	0.7
94.06541	5.8
95.04954	1.3
95.08604	1.2
97.06489	0.4
104.04951	0.5
105.07021	1.0
106.06580	0.4
107.04978	0.4
107.08545	0.6
108.08082	1.7
109.10120	0.7
110.06039	0.6
112.07578	1.3
116.04967	0.7
118.06519	1.1
119.08582	0.8
120.08099	0.7
121.05257	0.5
121.10033	0.4
122.06001	20.2
123.04406	0.8
124.07556	0.9
131.60765	0.4
134.06003	1.7
136.07573	1.3
137.05934	0.5
140.07033	32.1
144.04431	2.3
144.08061	0.5
146.05971	11.4
147.06799	0.8
147.08000	0.5
148.07541	2.3
152.07037	0.8
158.09509	0.5
160.07608	0.5
162.05495	1.8
163.06224	0.6
164.07034	0.6
167.07059	0.7
172.03897	15.8
172.07507	0.8
173.04697	2.0
174.05476	16.5
176.07036	6.1
178.05026	0.7
182.08252	0.5
182.09692	0.9
183.09109	0.5
184.09953	1.0
185.10634	0.9
186.09163	0.5
187.08696	0.7
188.07176	0.5
189.07750	0.5
190.04945	3.7
191.05719	2.6
192.06557	1.5
195.09244	0.4
196.09883	0.6
197.10744	1.6
199.08649	0.9
199.12297	2.1
204.06514	28.9
205.07019	0.6
206.08086	12.1
209.10701	0.7
210.09152	1.8
210.11333	0.6
211.08533	2.5
211.12228	0.7
212.09286	1.0
213.10173	1.1
216.10187	0.6
221.10739	0.5
223.08673	1.1
223.12244	0.5
224.09431	1.5
224.12791	0.4
225.10147	5.1
225.13760	0.7
226.10782	1.0
227.08195	0.6
227.11728	13.9
227.13939	0.8
228.12090	0.6
235.08536	0.6
236.09393	1.1
237.10176	2.4
238.10864	1.9
239.11714	3.8
240.06828	0.5
240.10170	0.5
240.12692	0.7
241.09732	1.7
241.13322	0.8
243.11301	0.8
244.09612	0.5
249.10222	1.8
250.10927	0.8
251.08070	0.9
251.09424	0.5
251.11719	3.0
253.09598	3.1
253.13422	0.8
255.07724	0.6
255.11224	1.3
257.12686	0.5
261.12411	1.8
263.08194	1.0
263.11777	1.7
264.08908	1.1
265.09656	1.9
265.13635	0.4
267.11154	1.9
269.09882	0.7
269.12796	10.8
269.15555	0.8
270.10080	0.7
271.10690	4.4
277.09650	1.8
278.10345	0.6
279.11285	1.5
281.09158	0.7
283.10739	9.2
284.11444	5.2
285.12292	4.7
286.13049	0.7
287.05447	2.7
287.13821	26.9
291.11194	0.8
292.11823	0.6
293.12814	0.5
295.10828	1.8
296.11429	0.6
297.12256	2.8
298.13440	0.6
300.12033	1.2
301.11948	4.8
302.12802	1.1
303.13593	0.6
309.12442	1.0
312.15109	0.9
313.11719	32.0
314.12729	2.3
314.16351	0.5
315.13702	2.9
316.14355	4.6
317.15195	1.0
323.10223	1.1
324.10925	0.9
325.12076	0.5
326.16580	0.9
327.14050	1.4
328.11060	0.7
328.14511	2.6
329.11575	3.0
329.15372	2.3
330.12302	2.5
330.16003	5.9
331.12888	8.9
331.16788	6.6
332.17355	1.1
337.11716	0.7
338.12927	0.5
339.14050	0.7
340.14713	0.7
341.12167	0.6
341.15747	0.5
342.12399	4.7
342.16083	1.0
343.13132	3.8
343.16498	0.5
344.13791	1.3
344.17578	5.3
345.14404	19.0
346.15207	0.4
354.15997	1.1
355.13525	1.5
356.13809	3.7
356.17410	0.5
357.14731	3.1
358.15396	6.6
363.15640	1.6
367.13336	0.5
368.14093	0.9
368.17798	0.5
369.10977	0.9
369.15390	1.1
370.11655	1.0
370.15558	3.5
371.12549	0.6
371.16599	0.9
372.13055	0.5
372.17172	4.4
374.18753	0.9
380.13962	1.4
381.14825	0.5
382.11273	2.5
382.15793	1.1
383.12479	2.1
384.13245	10.5
385.14044	3.8
386.14410	5.1
386.19531	2.8
388.16492	1.4
390.18066	5.0
391.18622	0.5
392.19437	0.8
394.15601	0.5
396.17249	0.5
397.14844	0.6
398.14880	13.1
399.15677	20.7
400.16455	26.8
401.16724	1.5
402.14474	1.8
403.19037	0.9
412.16608	2.4
413.17465	0.6
414.18234	5.0
415.18674	1.7
416.15836	2.4
417.16705	6.8
418.17487	9.1
422.15140	0.7
426.13922	0.5
430.17593	2.9
431.18137	1.8
440.15866	4.0
441.16608	1.1
442.17496	0.8
444.15594	2.4
446.16943	0.8
458.17023	31.3
459.17764	15.7
459.24329	0.6
460.18506	3.7
476.18317	0.5
490.19629	5.6
491.20264	2.2
506.18588	1.3
508.20291	0.8
555.25671	1.5
557.24017	3.2
581.23828	6.3
582.22327	0.7
587.33801	0.7
595.21735	0.7
599.24866	100.0
600.25238	4.5
613.22791	0.5
631.27191	4.1
631.33868	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	631.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
53.05065	0.4
54.14170	0.3
55.70206	0.3
67.05488	1.3
68.05019	0.5
69.07050	3.0
69.32021	3.3
79.05456	0.6
80.05025	0.4
81.07031	0.5
88.15369	0.4
93.05774	0.4
94.06556	4.8
95.04960	1.1
97.06479	0.6
98.21588	0.4
106.06544	0.7
107.82420	0.3
108.08102	2.1
110.06039	0.9
112.07574	0.8
116.04966	1.5
118.06484	0.5
120.04455	0.4
121.05184	0.6
122.06005	14.9
123.04442	0.5
124.07587	0.9
133.10094	0.4
134.06000	1.7
136.07564	1.1
140.07034	21.4
144.04424	3.7
144.08133	0.4
145.05231	0.4
146.05984	10.4
146.07092	0.8
147.06775	1.1
148.07533	2.0
152.07068	0.9
153.13768	0.4
162.05478	2.1
163.06252	0.9
172.03914	19.9
172.07550	0.6
173.04492	1.1
174.05490	7.7
176.07042	6.0
178.08620	0.8
182.09727	0.6
183.10497	0.5
186.09076	0.5
187.08653	0.4
190.04958	2.7
192.06534	0.7
196.09920	0.5
197.10725	1.8
199.08524	0.6
199.12256	1.2
204.06523	37.9
205.06996	0.7
206.08095	16.4
209.10690	1.5
210.09151	1.2
210.11348	0.7
211.08670	2.4
211.12207	0.7
212.07480	0.4
212.09407	1.5
213.10152	0.9
214.10751	0.4
223.08638	1.0
223.12219	0.7
224.09383	1.2
225.10161	4.8
226.10982	1.1
227.11745	9.3
235.12206	0.4
236.09361	0.7
237.10152	2.0
238.11003	1.1
239.11757	3.5
240.10214	0.6
240.12485	0.7
241.09720	1.5
241.13287	0.7
242.11806	0.6
243.11119	0.5
249.10129	1.9
250.10916	0.7
251.07977	0.6
251.11771	2.9
252.08931	0.5
252.12617	0.5
253.09732	1.8
255.07655	0.9
255.11209	1.0
261.12308	1.7
263.07990	1.0
263.11792	1.4
264.08917	0.8
265.09702	2.8
266.10419	0.6
267.11157	1.9
269.09750	0.8
269.12787	6.8
271.10629	4.1
277.09692	1.7
278.10376	0.5
279.11234	1.7
280.11926	0.4
283.10706	9.9
284.11520	5.1
285.12265	4.2
286.13284	0.8
287.13846	23.3
288.14621	0.6
291.11282	0.9
293.12769	0.8
295.10837	2.3
296.11334	0.7
297.12302	3.1
298.13348	0.7
299.11398	0.5
300.12070	1.3
301.12070	3.3
302.12839	1.3
303.13474	0.4
305.09192	0.4
309.12341	1.6
310.13226	0.9
312.15158	0.8
313.11716	10.1
314.12711	2.1
315.10394	0.5
315.13593	2.2
316.11060	0.7
316.14413	5.2
317.15213	0.5
321.12158	0.6
323.10287	1.2
323.13739	0.7
324.11035	0.7
324.14786	0.5
325.11893	0.5
326.16385	1.4
327.13705	1.1
327.17175	1.2
328.10876	0.8
328.14465	2.1
329.11572	2.0
329.15231	2.6
330.12250	2.4
330.15961	5.2
331.12839	5.1
331.16772	7.3
332.17383	1.3
337.11780	1.1
339.13547	0.6
341.12500	1.4
342.12427	3.8
342.15891	0.7
343.13043	3.1
343.16824	0.5
344.13705	1.4
344.17523	5.5
345.14404	27.3
346.14871	1.0
346.19037	0.8
354.16043	0.9
355.13876	1.5
356.13754	4.2
356.17407	0.6
357.14859	2.2
358.15393	6.3
363.15387	1.8
367.13055	0.8
368.13715	1.0
369.10825	0.6
369.14853	0.8
370.11270	0.7
370.15646	2.7
371.16354	1.2
372.12964	0.5
372.17053	4.1
373.17792	0.5
374.18753	0.7
380.13821	1.1
382.11526	2.9
382.16010	0.8
383.12543	2.1
384.13315	9.5
385.13971	3.1
386.14487	4.4
386.19232	2.1
387.15939	0.5
388.16534	1.4
390.18091	5.6
391.18405	0.6
394.15448	0.5
396.17276	0.5
397.14725	0.6
398.14871	11.9
399.15723	20.1
400.16483	28.4
401.16867	1.4
402.14349	1.1
403.18845	0.8
412.16269	1.8
414.18240	5.6
415.18692	1.2
416.15732	2.6
417.16840	4.9
418.17529	9.9
430.17648	3.3
431.18286	1.6
440.15945	3.5
441.16669	1.1
442.17520	0.6
444.15323	2.0
458.17014	29.1
459.17798	18.4
460.18393	5.3
475.17892	0.4
490.13058	0.7
490.19684	8.3
491.20432	4.9
492.20914	0.6
506.18524	0.8
508.20551	0.9
555.25970	1.7
557.23914	3.5
581.23901	6.6
582.22803	0.4
587.33527	0.7
599.24890	100.0
600.25311	6.6
631.26886	19.7
632.27887	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.3
55.05497	0.7
65.03914	0.4
67.05482	1.1
69.03405	0.6
69.07053	3.2
71.25282	0.6
79.05479	0.6
81.03418	0.5
81.07019	0.6
83.08588	0.8
85.02888	0.6
91.05469	0.7
93.07010	0.8
94.06551	4.3
95.04934	0.8
95.08565	0.3
97.06500	0.5
97.10149	0.3
105.07007	0.5
106.06507	0.4
107.08569	0.4
108.08092	1.2
110.06033	0.7
112.07591	1.5
116.04947	1.0
118.06541	0.8
119.08538	0.5
120.04442	0.5
120.08098	0.5
121.10085	0.7
122.06003	13.5
123.04454	0.4
124.07596	0.8
127.84953	0.3
134.05998	1.3
136.06149	0.3
136.07593	0.5
140.07036	19.8
144.04407	2.6
145.05261	0.4
145.10118	0.5
145.93205	0.4
146.05978	10.1
147.06712	0.6
148.07529	1.9
150.01447	0.4
152.07004	0.6
160.07622	0.4
162.05450	2.5
162.07613	1.2
163.06203	0.6
167.07155	0.6
172.03900	18.0
172.07501	0.5
174.05458	6.8
176.07018	4.8
178.08614	1.0
182.09694	0.5
184.09860	0.4
186.09097	0.5
187.08725	0.5
189.07751	0.4
190.04924	2.8
192.06549	0.9
196.09911	0.4
197.10754	0.9
199.08673	0.7
199.12288	0.9
204.06516	35.0
205.06969	0.9
206.08087	12.2
209.10660	0.7
210.09206	0.5
211.08603	2.1
212.09453	1.3
213.10260	0.9
214.10887	0.4
216.10257	0.6
221.10555	0.4
223.08539	0.9
223.12151	0.5
224.09315	0.8
225.10143	5.0
226.10774	0.5
227.11731	9.5
228.12259	0.5
236.09398	0.6
237.10138	1.6
238.10971	1.3
239.11742	3.0
241.09697	0.8
241.13332	0.8
243.11292	0.8
244.09552	0.5
249.10190	1.1
250.10924	0.4
251.08191	0.4
251.11708	1.8
253.09744	2.0
253.13150	0.8
255.07703	0.6
255.11227	1.2
259.14417	0.5
261.12311	1.4
263.08026	0.5
263.11795	0.7
264.09048	0.5
265.09628	1.5
266.10455	0.6
267.11218	1.8
269.09601	0.5
269.12778	5.6
271.10641	3.0
277.09601	1.0
279.11087	1.0
281.09219	0.5
283.10724	7.3
284.11462	4.6
285.12204	3.4
287.13821	21.6
288.14215	0.5
291.11270	0.4
295.10565	1.8
296.11560	0.8
297.12283	2.4
300.12122	1.0
301.12137	2.6
301.15472	0.5
302.12863	1.0
304.14432	0.5
309.12360	0.6
311.14124	0.6
312.14911	0.7
313.11707	8.3
314.12683	1.6
315.13690	1.7
315.17221	0.4
316.14383	5.1
316.17792	0.7
317.15103	0.9
321.08652	0.4
323.10175	1.6
324.11105	0.7
326.16467	1.2
327.13745	0.6
327.17282	0.8
328.10974	0.7
328.14474	2.2
329.11563	2.0
329.15305	1.5
330.12241	1.7
330.15973	4.3
331.12802	4.7
331.16730	6.1
332.17380	1.1
340.14584	0.5
341.12341	0.8
342.12390	3.5
342.15967	0.9
343.13019	2.7
343.16565	0.3
344.13791	1.1
344.17526	5.0
345.14401	24.7
346.14905	1.0
352.14145	0.5
354.12241	0.9
354.16165	0.8
355.13181	0.8
356.13760	3.0
356.17633	0.6
357.14633	1.8
358.15375	6.1
359.16019	0.8
363.15237	2.3
365.28909	0.4
366.15714	0.7
366.29260	0.8
368.14035	0.5
368.17773	0.5
369.10904	0.7
369.14941	0.7
370.11618	1.1
370.15558	2.5
371.16510	0.9
372.17096	3.6
374.18451	1.0
380.14090	0.5
382.11496	2.0
382.16010	0.6
383.12567	1.3
384.13229	9.1
385.14078	3.3
386.14420	3.8
386.19342	2.1
388.16470	1.7
389.17126	0.5
390.18024	5.0
391.18533	0.9
392.19846	0.6
397.14929	0.6
398.14896	10.5
399.15692	19.5
400.16476	26.7
401.16748	1.1
402.13901	1.7
403.14529	0.5
412.16510	1.2
413.17258	0.7
414.18015	4.6
415.18988	1.8
416.15915	2.4
417.16699	5.5
418.17499	7.1
422.14880	0.9
430.17554	2.3
431.18277	1.6
432.18747	0.4
440.15979	3.8
441.16632	1.2
442.17795	0.8
444.15445	2.2
446.17194	0.6
458.17035	19.5
459.17755	10.0
460.18579	2.1
490.19672	4.7
491.20285	3.0
508.20206	0.5
531.25702	0.4
555.25787	1.0
557.23669	2.1
581.23804	3.2
599.24872	100.0
600.25226	5.1
631.27411	16.8
632.28070	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.4774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	0.6
55.05500	1.9
57.07064	74.4
58.07384	0.7
59.04990	15.0
69.07041	1.8
71.03006	1.5
71.08617	67.2
73.06547	3.9
78.77604	0.5
83.08598	2.5
85.10167	64.3
86.10498	0.9
87.04459	12.4
89.06013	100.0
90.06345	1.1
91.07583	0.8
99.11698	5.4
103.07565	7.4
107.07072	2.9
117.09087	3.7
130.08603	2.5
131.07027	7.0
133.08578	82.1
134.08842	1.1
135.10197	1.2
141.16359	6.8
146.08066	2.5
161.11664	1.5
171.16139	0.6
175.09654	4.5
177.11188	37.9
181.19267	0.8
192.24155	0.6
199.20528	10.1
219.12184	1.9
221.13777	8.6
223.15382	1.0
239.14784	1.9
243.23174	6.6
265.16431	2.7
283.17426	3.7
309.18839	1.5
327.20007	2.6
353.21573	1.6
371.22537	2.3
397.24130	2.7
415.25253	23.1
416.25616	1.1
455.28409	5.5
613.45038	5.8
630.38971	0.7
630.47717	9.7
631.47369	0.9
632.32764	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2008
Annotation	Eucalmaidin D
Peak:m/z	Relative Intensity
50.35851	0.3
53.03938	2.7
55.01853	1.2
55.05502	2.0
57.03425	5.4
59.04969	0.4
61.02911	0.7
63.58788	0.3
65.03922	0.8
67.05493	2.1
69.03413	7.0
69.07049	0.9
69.30166	3.1
70.06592	0.4
71.04968	0.8
71.39242	0.3
73.02904	0.6
75.04465	8.8
77.03913	0.6
79.05476	12.6
81.03401	8.3
81.07039	6.6
83.04982	0.7
84.08140	0.4
85.02885	3.9
85.91785	0.3
86.09644	0.4
87.04427	0.8
91.05460	13.2
93.03376	0.5
93.07022	82.0
94.06538	1.0
94.07368	1.1
95.04944	5.8
95.08587	3.7
97.02870	4.3
97.06506	1.6
98.21487	0.6
99.04436	1.5
103.05434	0.9
105.04481	1.5
105.07009	7.0
106.07805	0.5
107.04932	0.4
107.08569	11.8
109.02859	4.3
109.06506	0.9
109.10133	0.5
111.00776	0.7
111.04413	1.0
111.08049	6.1
115.12978	0.3
116.06210	0.6
117.07007	0.5
119.08553	6.2
121.02859	0.9
121.06526	1.6
121.10116	83.9
122.05998	2.0
122.10423	1.5
123.04383	0.5
123.08051	1.6
123.11690	1.7
124.07587	0.6
125.05974	1.2
127.03886	3.3
129.06960	0.7
131.08522	4.0
133.06520	0.4
133.07587	0.9
133.10089	0.7
135.11670	0.4
137.02309	2.7
137.05917	0.5
139.11154	4.1
140.07033	3.3
145.04932	1.3
145.06439	0.4
145.10123	0.8
146.05991	2.1
147.07977	0.5
147.11716	0.4
148.07507	0.4
149.09583	14.5
151.07507	0.4
153.01805	3.7
155.08507	0.3
157.10165	0.6
161.09567	0.5
162.05504	0.4
163.03868	0.9
163.11238	0.4
165.01810	1.6
166.02692	0.4
167.07057	0.6
167.10640	15.5
172.03897	3.3
172.49884	0.3
173.06013	0.6
173.09616	0.6
174.05428	1.8
176.07030	1.1
181.04749	0.4
183.02835	0.9
187.03822	0.3
191.10573	0.4
201.05435	1.3
204.06511	5.7
205.04881	0.4
206.08075	1.9
225.10240	0.7
227.11783	1.1
229.04901	4.6
237.10381	0.4
239.11731	0.4
241.09598	0.4
247.06026	0.8
247.13217	0.5
249.10138	0.4
253.09647	0.5
257.04413	2.1
257.11853	0.3
263.11795	1.9
269.12811	1.1
271.10779	0.6
274.04764	0.4
275.12866	0.4
279.11230	0.7
282.41000	0.3
283.10635	1.2
284.11346	0.4
285.03918	1.3
285.12296	0.7
287.13809	3.4
291.11264	0.6
293.13705	5.4
295.10571	0.5
297.12280	0.9
303.04916	100.0
304.05319	2.8
309.12265	1.0
311.14816	5.8
313.11609	2.0
315.04794	1.8
315.13748	0.4
316.14401	0.9
323.13950	1.0
327.04675	0.4
329.11981	0.6
329.15714	2.5
330.15933	0.7
331.12964	0.8
331.16708	1.1
336.10983	1.0
337.11603	0.4
338.12485	0.4
342.12589	0.5
343.13010	0.5
345.05911	1.0
345.14392	3.6
356.13834	0.7
357.14825	0.4
358.15298	0.9
358.19446	0.4
367.12674	0.5
368.13565	0.9
369.14459	1.9
370.15231	0.9
372.16718	0.5
384.13351	1.4
385.14011	0.5
386.14612	0.6
390.18127	1.1
398.14734	1.8
399.15686	2.6
400.16422	3.9
414.18286	0.6
416.15771	0.6
417.16803	1.0
418.17426	1.1
430.17947	0.4
458.16946	3.8
459.18109	1.8
460.18753	0.5
478.19714	0.4
490.19501	1.3
491.19919	0.9
508.20712	1.3
510.22128	0.9
557.23541	0.6
581.23517	1.3
599.24866	15.3
600.25427	0.4
631.27301	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.4567
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60099	0.8
53.00290	0.9
55.05490	4.1
56.44287	0.9
57.03415	2.9
57.07067	100.0
58.04208	6.7
59.04992	48.2
67.05493	7.3
69.07055	6.5
69.23557	11.2
71.04992	1.3
71.08622	75.1
72.05772	4.4
72.08963	1.1
73.02893	2.6
73.06543	6.0
79.05473	3.4
81.07043	9.9
82.07833	1.5
83.04939	1.2
83.08614	4.7
83.71329	0.9
85.06529	1.7
85.10168	62.7
86.07279	1.6
87.04447	7.9
87.08080	2.8
88.05216	1.3
89.06015	8.2
90.01331	1.1
90.01895	21.6
90.02417	1.9
91.05479	2.4
93.07018	4.0
95.08590	5.9
97.06528	1.5
97.10146	5.2
99.11720	10.5
100.08870	2.1
101.06004	1.3
101.09655	4.8
103.07556	5.0
105.04488	0.9
105.06998	3.0
106.00857	1.0
107.07026	1.1
107.08588	1.9
109.10130	2.6
111.11714	1.9
113.13254	4.9
115.07540	2.0
116.32098	0.9
117.07027	1.4
117.08348	1.5
117.09112	13.7
119.08561	1.6
121.10098	2.3
129.09045	1.0
130.08620	2.5
131.08536	1.7
133.08562	4.7
133.10126	1.0
147.11710	1.4
152.15585	3.9
155.17926	8.1
161.11729	2.0
175.11223	1.1
177.11147	1.2
178.07071	3.0
183.17404	2.6
190.18449	0.9
203.23293	1.0
207.15852	1.7
208.15471	2.7
212.21280	1.8
213.22079	16.9
222.09673	4.7
237.16919	1.9
241.21521	1.3
254.24747	1.6
266.12354	2.1
270.25537	1.5
271.26279	17.8
284.13324	3.6
310.22385	1.0
324.23532	1.3
329.30466	1.5
340.23120	1.5
342.17447	2.7
352.26837	1.9
382.27957	1.9
390.35944	1.2
401.20486	1.0
433.09521	1.0
451.20139	1.0
478.41034	9.9
494.40195	1.1
517.38770	2.2
522.43250	1.5
531.40399	2.2
611.46210	2.7
629.29279	1.8
629.45941	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	629.4033
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.5
51.65794	1.6
51.85076	1.4
53.03925	7.5
54.51544	1.3
55.01853	4.8
55.05499	32.6
56.79322	1.3
57.03425	7.7
57.07069	10.0
59.04982	3.3
60.56711	1.5
63.95394	1.5
65.03912	4.3
66.20982	1.5
67.05491	73.0
69.03416	27.4
69.07055	33.2
70.12283	6.9
70.12664	3.2
71.04980	8.0
71.08612	5.3
73.02880	3.1
77.03856	1.8
79.05009	2.0
79.05476	49.4
81.03397	29.9
81.07039	72.9
82.07374	2.1
83.04980	10.2
83.08591	13.1
84.08132	1.8
85.02895	32.2
85.06511	3.2
85.10144	4.3
86.00394	2.0
87.04452	3.6
89.05996	4.6
91.05462	44.6
93.07027	61.6
95.04948	21.1
95.07977	3.6
95.08588	70.1
97.02874	15.5
97.06510	10.3
97.10130	8.0
99.04424	5.8
103.03876	2.5
103.05428	2.6
105.06291	3.5
105.07008	69.4
107.04939	5.6
107.08571	48.3
109.02860	11.6
109.06493	52.9
109.10128	42.8
111.04423	7.6
111.08040	6.0
115.03940	1.7
115.05431	4.7
116.06209	1.8
117.06985	22.6
119.08555	61.5
121.06470	7.6
121.10114	40.5
123.04406	4.5
123.08048	22.2
123.11672	18.5
125.05968	4.9
125.09565	3.8
127.03887	16.5
128.06149	8.8
129.06976	18.5
130.07785	3.3
130.08641	5.0
131.08539	48.9
133.06502	7.8
133.08571	2.3
133.10103	38.6
135.08031	42.0
135.11665	17.3
137.05884	1.6
137.09570	11.4
137.13220	2.7
139.11121	1.9
141.06950	8.4
142.07805	9.4
143.08530	34.6
144.09326	4.0
145.06462	12.5
145.10089	52.4
146.07149	2.1
147.08020	28.6
147.11658	39.7
147.49919	1.6
149.09589	16.8
149.13246	9.9
150.10399	1.9
151.07541	2.9
151.11177	6.4
153.06967	2.9
153.09103	1.8
154.07707	2.4
155.08527	19.0
156.09277	11.6
157.10109	34.0
158.07251	2.6
158.10844	3.6
159.08011	29.3
159.11661	32.7
161.09560	11.2
161.13239	10.9
163.07520	2.2
163.11148	14.9
163.14813	4.3
165.05470	2.1
165.06856	2.8
165.12770	8.8
167.07127	2.7
167.08562	7.2
168.09352	4.6
169.10091	23.7
170.10854	3.5
171.07985	5.8
171.11658	32.2
172.08728	2.4
173.09590	23.9
173.13203	24.2
174.10342	4.6
175.11185	9.4
175.14816	6.9
177.12701	5.4
177.16331	2.1
179.08556	3.1
179.14270	4.5
181.10094	13.8
182.10858	4.6
183.08051	4.6
183.11633	25.0
184.12321	2.2
185.09595	14.8
185.13208	17.4
187.11136	15.7
187.14766	9.0
189.09117	2.6
189.12711	55.8
191.14261	40.5
193.10118	6.2
193.12077	2.3
194.10860	2.3
195.11610	13.7
196.12434	3.8
197.09593	6.4
197.13188	17.8
198.10379	2.0
199.11174	10.5
199.14769	14.2
201.12724	11.8
201.16374	4.9
203.14282	6.8
205.10120	3.3
205.15897	3.4
207.11723	7.2
207.13724	61.4
208.12317	2.1
209.13225	12.1
209.15413	6.4
211.11162	3.3
211.14734	14.2
213.12747	6.2
213.16289	7.6
215.14281	6.5
217.15903	2.4
219.11636	4.3
219.17374	2.5
220.12579	1.8
221.13264	5.5
222.13960	3.1
223.11208	3.9
223.14819	12.1
225.12686	4.1
225.16371	7.4
227.10811	1.9
227.14246	9.6
227.17874	3.4
229.15823	3.9
229.19629	1.9
231.17494	2.8
233.13251	1.8
233.19019	1.8
235.14845	5.0
236.15579	1.9
237.12668	2.3
237.16393	6.4
239.14336	2.2
239.17946	6.2
241.15829	3.3
241.19461	4.3
243.17378	2.4
245.18993	3.0
249.16322	4.2
251.18016	3.6
253.19460	2.5
255.13884	1.8
255.17375	2.6
259.17065	1.7
259.20538	6.0
261.18585	2.1
261.22079	2.6
265.19412	3.7
269.18979	3.1
271.16754	1.8
271.20541	4.1
273.14987	3.5
273.22153	1.8
275.20212	1.9
277.21710	2.1
279.23337	2.0
281.19019	2.8
283.20480	3.8
285.21933	3.2
289.21677	3.1
297.18549	2.4
297.22003	2.2
299.19928	2.0
301.18185	2.4
301.21619	4.8
303.19946	1.8
303.23199	3.0
309.21979	4.1
311.23520	1.8
315.15588	2.2
323.20102	2.3
323.23584	1.9
325.21786	2.9
325.25354	3.4
335.23767	2.4
339.23242	2.7
341.24432	3.6
343.19196	2.0
345.24359	2.2
349.25174	2.3
351.23114	2.9
365.24420	2.2
367.22275	2.2
367.26215	11.4
369.24203	5.1
385.23566	4.7
387.25073	7.6
391.30200	3.0
393.27747	2.4
403.24869	4.7
405.26590	5.6
407.33066	5.2
421.25916	4.8
423.23401	3.6
431.33057	4.0
449.34201	13.0
467.35220	7.1
493.29224	2.2
511.30615	5.7
519.29956	2.0
529.31512	23.1
547.32568	100.0
548.32562	3.5
555.33105	5.4
555.53748	1.7
569.37903	2.4
571.35864	4.4
573.33990	14.2
575.37238	6.4
593.38147	13.2
593.46790	2.2
611.39154	46.0
612.39246	2.8
629.40228	92.9
630.40613	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	629.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09099	0.4
51.52834	0.4
57.07051	0.6
59.04988	0.6
59.61973	0.4
61.08478	0.4
64.94429	0.4
69.36208	3.8
71.08627	0.8
81.07027	0.5
83.71517	0.5
87.04432	0.5
89.06018	1.4
95.08643	0.4
105.05638	0.4
110.77587	0.5
125.37502	0.5
133.08620	1.2
149.88483	0.4
158.41409	0.4
177.11217	0.7
210.72308	0.4
421.52332	0.5
609.87756	0.5
629.27240	100.0
630.27716	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	629.4037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56959	3.1
53.03929	10.7
54.00632	2.8
55.01859	10.5
55.05502	29.5
57.03423	7.2
57.07059	16.1
59.04988	5.6
65.03912	5.7
67.05495	82.7
69.03418	26.0
69.07053	29.4
69.26277	31.1
71.04987	15.1
71.08594	5.8
71.18499	3.3
73.06507	2.7
79.05477	56.8
81.03406	37.8
81.06588	5.5
81.07043	91.4
82.07368	3.5
83.04958	11.6
83.08599	15.0
85.02888	97.8
85.06496	4.5
85.10182	6.2
89.05984	3.9
91.05468	55.0
93.07025	66.8
95.04951	25.7
95.08592	77.0
97.02874	36.2
97.06507	9.2
97.10129	5.6
99.04440	11.6
99.08043	4.4
99.43818	3.1
103.03924	3.7
105.07013	68.3
107.05000	6.8
107.08568	52.1
109.02869	14.5
109.06499	37.4
109.10142	46.8
111.04421	12.4
111.08111	6.8
117.07010	22.1
119.08560	62.7
121.06470	8.2
121.10117	49.2
123.08047	20.1
123.11684	100.0
125.05981	6.0
125.09579	5.0
127.03892	29.4
128.06233	7.8
129.06958	16.1
130.07774	6.7
130.08636	3.3
131.08539	43.6
133.06453	12.8
133.10109	43.9
135.08035	19.7
135.11662	26.3
137.09586	11.3
139.07518	5.7
141.06947	8.5
142.07764	5.8
143.08528	27.4
145.05081	3.4
145.06453	8.1
145.10101	57.4
146.08107	11.8
147.08002	18.7
147.11673	49.3
149.05959	7.0
149.09592	35.0
149.13228	13.6
151.07512	8.2
151.11153	4.9
155.08498	10.8
156.09337	10.2
157.10101	27.1
159.08005	19.7
159.11649	28.8
161.09572	8.9
161.13219	13.6
163.11192	11.5
163.14709	3.2
165.12740	12.2
167.08501	4.8
169.10083	18.4
171.08090	6.7
171.11673	28.3
173.09575	10.9
173.13214	25.7
174.10400	3.2
175.11215	15.8
175.14740	6.6
177.11217	3.8
177.12675	7.7
179.08607	3.8
181.10085	8.9
183.11642	23.4
185.09607	10.6
185.13260	14.8
187.11142	12.7
187.14792	7.6
189.12697	75.1
191.14275	23.8
193.10135	4.0
195.11650	18.0
197.09555	3.7
197.13196	15.8
199.11128	5.0
199.14764	10.4
201.12749	7.1
203.14264	5.8
205.15813	3.6
207.11705	7.6
207.13733	74.0
209.13120	8.9
209.15167	6.6
211.14775	9.7
213.12724	7.9
213.16402	6.0
215.14212	3.3
221.13428	3.7
223.11269	3.7
223.14899	6.6
225.12746	4.5
225.16373	6.2
227.14276	9.3
229.15796	8.3
233.13319	3.8
235.14865	5.8
235.19832	3.2
239.14186	4.2
239.17941	5.0
243.21080	4.9
251.17963	6.1
255.13779	14.5
255.17564	3.5
257.19064	3.8
259.20529	6.6
261.22180	7.5
267.21136	4.4
271.20627	4.5
273.22098	4.6
275.20169	3.5
277.21622	6.4
301.21625	3.3
313.21909	3.3
341.24539	5.0
351.18353	4.9
367.26468	5.1
369.24139	6.2
385.23407	4.6
387.25266	7.9
403.24585	6.3
405.26199	8.6
421.25864	4.1
449.34006	11.0
467.34735	4.7
511.30273	3.9
527.43713	3.6
529.31329	13.3
547.32556	53.8
553.35168	5.1
571.36194	6.4
573.33722	3.4
575.36853	6.1
593.38239	14.5
611.39001	47.1
629.39935	82.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
61.66281	0.4
67.05441	0.6
67.53101	0.4
69.03362	0.5
69.06994	1.5
70.06519	0.7
71.25413	1.0
73.02840	0.6
74.09614	0.4
81.06992	0.9
84.04424	0.6
85.02825	1.4
91.05418	0.7
93.06950	1.4
94.06477	1.1
95.04902	0.7
95.08482	0.6
97.02790	1.0
103.05379	0.5
105.06952	1.0
107.08506	0.6
108.08055	0.5
109.10060	0.9
119.08491	1.0
120.04389	0.9
121.06382	0.6
121.10065	0.9
122.05903	1.9
127.03841	0.8
129.29790	0.5
131.04799	1.6
135.11671	0.4
137.05833	0.6
137.73360	0.5
140.07013	2.3
144.07951	0.6
146.05859	0.7
162.07504	1.9
172.07526	1.1
189.47656	0.5
197.07068	0.7
198.07726	0.6
199.08582	0.8
206.08215	0.7
211.08615	2.4
221.10626	2.1
223.08554	0.5
225.10139	1.2
235.08525	2.4
235.12161	0.5
236.09373	1.8
237.10040	1.4
239.37698	0.5
247.08473	0.9
248.09265	1.4
249.10170	14.8
250.10895	2.1
251.11774	3.9
253.09628	0.7
261.10052	1.5
262.10901	0.6
263.08124	3.2
263.11642	2.9
265.09509	1.3
265.13300	1.0
267.11292	0.7
277.09671	6.8
278.10327	0.8
279.11133	2.5
281.08942	1.4
291.11032	0.8
295.10635	1.8
301.13321	0.5
307.10837	0.6
308.11807	0.5
309.12280	6.9
310.13019	2.0
311.13754	2.0
312.11780	1.1
313.12238	2.1
322.13260	1.0
323.10162	3.8
323.13837	9.1
324.14719	2.1
325.13028	1.7
326.09290	0.9
326.12964	2.2
327.13959	2.9
328.10925	0.8
328.14420	5.3
336.14975	1.0
337.12073	0.9
338.12872	1.0
338.16370	3.6
339.13718	0.8
339.17535	5.4
340.10657	1.7
340.14426	2.4
340.18060	1.1
341.11478	9.8
341.15375	2.4
342.12210	8.1
342.15976	5.6
343.13046	1.7
343.16785	1.2
344.13843	0.6
350.13083	0.7
351.13843	0.8
352.14612	3.0
353.11978	2.1
354.12244	9.3
354.15988	0.7
355.13016	9.6
356.13831	21.7
356.17511	1.5
357.14502	2.3
358.15292	0.7
364.14316	1.5
366.12714	0.6
366.15915	3.4
367.17020	7.2
368.09998	1.9
368.13828	6.8
368.17670	0.8
369.14731	6.8
370.11014	0.8
370.15463	13.1
371.16101	1.7
372.17038	1.3
373.14578	0.6
380.13895	7.1
381.11264	1.4
382.11185	3.7
382.15979	2.8
383.11798	2.8
383.16296	1.9
384.13159	6.4
384.17020	9.7
385.18042	2.9
386.14423	1.1
386.19040	2.3
388.16479	0.8
392.13583	0.9
394.15393	1.7
396.13141	4.4
397.14053	1.4
398.14795	14.4
398.18729	9.0
399.19543	2.3
400.12604	1.1
401.13577	12.6
401.18488	1.0
402.13776	0.9
402.18176	1.3
410.14951	2.2
411.15744	1.7
412.16486	8.6
413.13016	0.6
414.14346	9.7
414.19534	0.7
415.15201	1.3
416.15729	5.1
417.16617	1.4
424.13049	0.6
426.18015	2.0
427.18890	1.0
428.15817	2.0
429.16772	8.8
430.17545	11.1
438.14429	6.6
439.14951	1.9
440.16263	2.2
442.13855	1.4
444.19031	13.9
445.19745	1.6
456.15430	9.6
457.16220	28.8
458.16989	26.8
471.17709	1.4
472.18613	1.6
474.16513	6.4
488.18094	15.8
489.18839	100.0
490.19617	29.7
490.26883	1.1
491.20236	0.7
551.23218	0.7
552.22754	0.6
579.22247	5.2
597.23273	20.0
598.24432	0.6
611.24854	4.8
629.25916	37.4
630.25977	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.259
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05904	0.2
53.30017	0.2
55.51899	0.2
57.02258	0.2
57.06953	0.6
57.07243	0.4
58.57655	0.2
59.04910	0.2
67.05409	0.4
68.44312	0.2
69.88305	1.1
71.08482	0.9
71.08900	0.4
72.14119	0.2
81.06955	0.4
85.10061	0.4
87.04337	0.3
88.69541	0.2
89.05883	0.6
89.06356	0.2
91.05355	0.3
93.06908	0.3
98.21405	0.3
100.43791	0.2
105.06832	0.4
107.08441	0.5
109.06370	0.3
109.10027	0.3
131.08429	0.2
133.08443	0.3
171.11496	0.2
278.99417	0.2
410.13556	1.1
411.14297	1.8
412.14975	0.7
413.15421	0.2
423.14789	0.3
424.15259	1.3
425.16031	5.0
426.16809	3.2
427.17636	3.3
437.15845	0.8
438.12311	0.8
438.16736	1.5
439.17957	10.4
440.18500	7.7
441.19168	2.1
442.20041	1.9
451.17322	0.8
452.13922	3.9
453.15375	32.7
454.15488	2.5
454.20044	3.6
455.20804	41.6
456.21097	3.0
465.15109	0.6
466.15646	2.4
467.16919	35.1
468.17590	11.1
469.17426	0.7
469.23312	0.4
470.15582	0.7
471.16385	1.1
473.21899	0.4
479.16223	0.4
480.17755	0.5
481.18497	7.2
482.19153	37.3
483.19968	4.0
484.17105	0.9
485.17862	1.6
486.18686	0.7
494.18439	1.5
495.20328	2.0
496.20914	0.8
498.18109	0.2
499.19556	1.0
500.19904	1.1
508.19611	1.2
509.22311	1.3
510.18542	0.2
510.22580	0.4
511.19916	0.6
512.20612	0.7
513.21301	1.4
514.21857	1.6
522.20544	0.3
523.21985	1.3
524.21204	0.8
525.22717	0.5
526.22327	1.1
527.23193	0.4
528.23553	4.4
537.21088	0.8
540.19995	0.7
541.24835	4.4
542.24768	1.0
543.25885	0.3
553.21930	5.3
554.21301	1.4
559.25690	0.6
568.19324	0.4
569.23871	94.7
570.24115	4.2
586.23743	0.5
597.23376	1.7
600.22247	2.1
601.26471	4.3
614.23834	0.7
629.25830	100.0
630.26062	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	629.2231
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
53.77975	0.4
57.36087	0.3
69.83025	0.9
69.83425	1.3
72.77232	0.3
95.08539	0.4
102.38700	0.4
107.61555	0.3
112.13814	0.3
121.10212	0.5
172.22169	0.3
339.04758	0.4
384.12259	0.4
396.12067	1.4
397.13071	2.0
398.13690	1.1
399.14243	0.9
400.15176	1.1
409.13382	0.5
410.13510	2.7
411.14450	6.6
412.15131	5.4
413.16034	5.3
414.16638	0.8
422.14285	0.4
423.14606	1.5
424.10794	1.1
424.16129	2.7
425.16141	14.8
426.16785	10.9
427.17606	3.6
428.18555	4.3
429.19327	0.6
437.16428	0.8
438.13101	2.9
438.17538	1.3
439.13541	20.7
440.13824	2.3
440.19086	8.0
441.19223	42.7
442.19553	5.1
444.17813	0.5
450.15817	0.5
451.18143	0.5
452.14252	4.0
453.15323	25.3
454.15564	7.2
455.16473	1.1
455.21677	0.6
456.18213	1.8
457.14462	0.9
458.15253	0.5
459.20029	0.4
465.15356	0.6
466.12088	0.5
467.17139	27.1
468.17798	21.5
469.18607	12.2
470.19431	1.9
471.16550	1.8
472.17300	1.2
478.15912	0.7
480.16800	1.1
481.14465	10.8
482.14523	3.2
483.15869	0.4
484.21994	3.7
485.17050	1.8
485.22314	0.5
486.18924	1.1
494.17398	0.6
495.16818	2.0
496.17029	15.2
497.17062	3.4
498.19196	1.8
499.19202	1.4
500.20660	5.4
501.20663	0.7
508.19989	0.8
509.18716	2.2
510.19290	0.4
512.21039	3.3
513.21765	6.7
514.21509	1.2
522.17297	0.5
523.19324	1.4
525.21545	0.7
526.18396	0.8
527.19073	0.7
528.19873	1.8
531.22314	0.6
537.18860	1.3
538.18835	0.4
541.20752	43.5
542.21039	5.3
551.19373	0.4
553.20581	1.5
554.17603	0.4
557.19867	0.4
559.21649	0.7
569.20190	87.8
570.20532	11.6
572.19086	0.9
573.23541	2.6
583.22101	0.5
597.19629	31.9
598.19873	4.3
600.21753	1.0
601.22803	14.3
602.22974	1.9
611.21576	0.4
615.20789	1.3
629.22180	100.0
630.22540	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	628.4982
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02142	0.8
55.01850	3.0
55.05496	7.0
57.03415	1.0
57.07063	34.6
59.04977	3.7
67.05493	9.8
68.05817	1.1
69.07056	6.9
69.97764	1.4
69.98161	2.7
71.04971	1.2
71.08620	33.8
73.06541	9.1
79.05474	7.8
80.05815	1.0
81.03397	1.5
81.07037	10.4
83.04926	0.9
83.08595	6.9
84.08106	1.5
85.10168	21.3
87.04450	7.9
89.06015	100.0
91.05457	6.6
91.07556	1.3
92.05775	0.9
93.07023	7.9
94.07320	1.0
95.04954	2.4
95.08596	6.8
95.09174	1.2
96.08929	1.3
97.06501	3.1
97.10158	7.3
98.20860	1.2
99.11711	3.2
103.07527	1.1
105.07020	6.2
107.04942	1.4
107.07025	4.3
107.08561	6.0
108.08873	1.8
109.06460	1.1
109.10107	4.9
110.10499	1.1
111.11675	4.3
113.13252	1.6
117.06988	1.4
117.09097	6.5
119.08539	3.8
120.08875	1.4
121.10111	3.0
122.10444	1.3
123.11665	1.7
125.13259	1.7
127.14786	1.4
129.07008	1.1
130.08620	6.4
131.07008	2.2
131.08530	3.4
133.08578	63.8
133.10001	4.0
134.08856	1.0
134.10440	1.6
135.10081	1.2
135.11694	1.6
139.14760	1.0
141.16342	1.3
143.08531	1.1
145.10075	2.7
147.11659	2.3
149.09605	1.8
149.13176	1.1
151.14606	0.9
155.08421	0.7
157.09993	1.7
159.11639	1.9
159.88586	0.8
161.11703	1.3
161.13199	1.1
163.11166	1.0
169.10107	1.3
171.11679	0.9
172.11960	1.0
173.13220	1.6
177.11189	27.4
180.52840	0.9
181.21823	0.7
195.11853	0.8
197.22597	3.7
213.22060	1.0
221.13838	5.9
227.12711	1.2
236.14706	0.9
239.14865	1.8
241.25246	2.7
258.19345	1.1
275.19974	4.7
276.20343	3.5
283.17441	3.5
285.27789	11.7
327.19995	2.6
329.30389	6.8
335.25745	2.6
336.26047	2.1
349.23749	1.4
350.24060	2.3
371.22821	1.4
391.33698	1.0
397.77948	0.8
415.25333	10.0
416.25421	1.6
476.73535	0.9
489.35999	1.0
516.37329	1.4
523.42419	1.0
530.39014	1.3
610.45215	8.8
611.47174	13.7
612.47223	2.0
628.47650	10.1
629.47992	1.3
646.72491	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.4627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
55.01857	4.3
55.05506	10.3
55.60967	1.2
57.03434	3.0
57.07067	100.0
59.04992	29.3
63.27058	1.2
67.05498	15.3
69.03433	1.6
69.07063	8.8
70.06572	1.7
71.04981	1.9
71.08620	73.5
71.52686	1.1
73.02901	5.0
79.05486	13.9
80.05813	3.0
81.03414	3.3
81.07049	18.7
82.07381	3.4
83.04967	1.6
83.08599	5.9
83.21075	1.3
84.08131	1.7
85.10171	63.5
87.04466	8.7
89.06026	22.0
91.05485	9.5
92.05808	1.4
93.07025	12.2
94.07359	1.7
95.04934	2.0
95.08598	12.9
97.06512	5.2
97.10150	5.8
99.11715	11.5
101.09650	3.3
103.03928	37.7
103.07549	4.2
105.07015	10.6
106.07354	2.3
107.04946	3.1
107.07050	1.9
107.08558	8.8
107.42204	1.4
108.08944	2.8
109.06503	2.1
109.10143	5.6
111.11659	1.3
113.13266	5.6
117.07028	2.1
117.09145	5.3
119.08577	7.3
120.08915	2.1
121.10135	4.1
122.10368	1.5
123.11678	1.5
127.03905	2.8
127.07741	1.3
127.14834	2.0
130.08630	3.3
131.07034	2.1
131.08530	5.7
133.08580	14.8
133.10081	5.8
134.10466	1.9
135.08095	1.6
135.11707	3.2
143.08568	2.4
145.10086	6.1
146.10500	1.8
147.06538	4.4
147.10146	1.6
147.11684	3.3
147.63707	1.3
148.12065	1.7
149.09573	3.2
149.13235	1.7
155.17929	9.4
159.11612	3.3
161.13237	2.3
163.09738	1.5
163.11263	1.4
171.11650	1.3
173.13365	1.6
177.11218	5.5
183.11620	1.4
185.19026	2.2
189.12711	2.0
191.09105	4.2
205.10735	1.3
207.12202	2.7
213.22092	17.5
221.13976	1.2
235.11815	6.2
243.23222	2.7
254.24498	1.5
271.26349	5.8
275.20120	6.8
276.20367	4.1
279.14331	1.9
313.18246	1.4
323.16998	2.6
335.25748	5.2
336.26169	4.2
341.17996	11.0
341.21649	1.6
349.23654	2.5
350.24158	2.0
381.21146	1.7
399.22278	2.7
431.32776	2.4
610.45593	10.9
628.46417	31.5
635.83545	1.2
644.33032	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	628.4979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00288	0.6
55.05495	2.6
57.03422	1.5
57.07062	100.0
58.07402	0.6
59.04987	32.8
61.90822	0.4
67.05499	0.8
69.07058	1.7
69.20930	0.9
69.21336	4.5
70.10242	0.4
71.08615	73.6
72.08965	0.4
83.08614	2.1
85.10163	65.5
86.10499	0.7
87.04449	4.0
89.06009	33.2
91.05466	0.4
91.07584	0.5
93.07061	0.5
95.08547	0.7
97.10149	3.0
99.08074	1.2
99.11715	14.7
101.05978	0.6
101.09631	3.4
103.07547	1.3
107.07065	0.7
111.11701	0.7
113.13255	5.0
117.09106	11.5
130.08600	1.4
131.06987	0.9
133.08571	22.3
135.10077	0.6
147.10136	1.1
155.17915	13.1
175.09573	1.0
177.11176	12.9
186.78308	0.5
194.91307	0.5
213.22086	27.0
219.12004	0.6
221.13722	1.9
235.15237	0.9
239.14853	1.3
254.24757	1.7
254.57568	0.6
265.16245	1.3
271.26263	28.1
272.26544	1.1
283.14294	0.7
283.17422	13.2
323.20398	2.0
329.30310	1.1
341.17776	0.6
341.21631	6.7
381.24503	1.6
399.25436	1.8
413.82358	0.5
415.24905	1.6
439.28491	0.8
611.46576	1.3
619.78601	0.5
625.16296	0.5
628.27557	0.9
628.49854	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	628.4981
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	0.7
55.05502	2.4
55.16557	0.7
57.03429	2.4
57.07065	100.0
58.07409	0.7
59.04990	52.4
67.05492	2.3
69.07049	3.5
69.19847	2.5
69.20271	4.6
71.08617	94.4
72.08958	1.1
73.06542	0.9
79.05466	0.8
81.07034	2.5
82.07347	0.8
83.08626	3.5
85.10168	92.6
86.10489	1.9
87.04436	2.8
89.06016	29.6
89.06573	1.5
91.05430	1.1
93.07025	1.3
95.08591	1.7
97.06515	0.7
97.10149	1.8
99.11709	11.4
101.06007	1.3
101.09629	5.3
103.07536	3.1
103.30417	0.6
105.06976	1.7
107.07056	1.4
107.08537	0.9
109.10110	1.0
111.11703	0.8
115.07555	0.9
117.09112	19.3
119.08546	0.7
121.10172	0.8
128.86134	0.6
130.08585	2.2
131.06990	1.2
133.08578	24.0
135.84575	0.6
141.16353	11.6
147.10100	1.2
157.12245	0.9
158.11755	1.3
159.13680	0.8
175.09598	0.8
175.13306	1.2
177.11198	5.6
189.11249	0.6
191.12584	1.2
199.20543	33.3
200.20815	1.0
213.22003	0.9
221.13727	2.0
227.19905	2.1
239.14847	9.7
240.23141	3.0
256.25748	0.7
257.24710	40.4
258.25073	1.9
279.17880	1.2
283.17371	0.7
297.19049	7.3
315.29010	3.4
336.25757	0.8
337.21902	1.7
355.22977	2.3
395.26257	1.0
428.80942	0.8
611.46411	1.9
628.27887	1.2
628.49957	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	627.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.7
55.01859	0.9
55.05502	1.6
57.03426	5.5
57.07058	0.5
59.04972	0.5
61.02911	0.6
65.03932	0.8
67.05491	2.3
68.99791	0.4
69.03412	1.3
69.07052	3.4
69.99944	1.0
70.06569	1.0
71.01357	0.3
71.04980	32.3
71.08604	0.4
72.04510	0.4
72.05309	0.4
72.08117	0.4
73.02905	1.6
73.11956	0.2
74.25999	0.2
75.04459	1.3
79.05475	1.5
81.03403	1.2
81.06575	0.5
81.07039	8.1
82.07362	0.2
83.04950	1.3
83.08609	0.9
84.04490	0.7
84.08098	0.6
85.02888	36.1
85.06528	9.7
86.09675	0.3
87.04449	1.0
91.03913	0.3
91.05466	2.2
93.03404	0.4
93.07030	3.6
95.04944	0.9
95.08587	4.2
96.04418	0.3
97.02867	0.7
97.06495	2.2
97.10167	0.6
98.20851	0.4
99.04441	0.5
99.08064	1.0
103.03929	0.5
105.07008	2.7
107.04950	0.7
107.08576	3.4
109.02841	1.0
109.06519	1.0
109.10147	3.3
111.00783	0.7
111.04411	0.9
111.08051	1.0
111.11658	0.3
117.06989	0.4
119.04904	0.5
119.08570	3.4
121.02843	2.3
121.10114	3.1
122.03709	0.3
123.04401	0.6
123.08038	0.3
123.11686	4.5
124.07596	0.3
125.09586	0.5
127.03908	0.8
127.11163	0.6
129.05452	7.7
131.04936	0.5
131.08554	0.4
133.10103	1.4
135.08037	0.4
135.11673	1.0
137.02332	6.9
137.05951	41.7
137.13199	0.6
138.06313	0.7
139.11151	0.5
141.01740	0.3
141.12704	0.6
143.08554	0.3
144.06528	0.3
145.04964	0.3
145.06461	0.3
145.10106	0.6
147.04359	1.3
147.06485	1.4
147.08020	0.9
147.11658	3.8
149.02322	0.7
149.13214	1.5
151.11165	0.7
153.01802	3.3
153.12724	0.4
156.89467	0.3
159.11674	0.6
161.05942	0.7
161.09546	0.3
161.13257	0.8
162.07585	3.2
163.03885	1.1
163.06096	0.3
163.14783	0.5
165.01788	2.2
165.09070	0.4
165.12746	1.9
167.07045	1.3
169.06425	0.3
173.05986	0.5
173.13287	0.4
175.03851	0.3
175.14738	0.3
177.05499	0.4
177.12856	0.3
177.16362	0.7
179.07007	4.2
181.04866	0.5
181.08574	0.3
181.15771	0.3
183.02893	0.6
187.03888	0.3
187.11118	0.3
189.01813	0.3
189.16225	0.2
191.03415	0.4
191.07033	0.3
191.14288	0.3
193.12193	0.4
195.02954	0.3
201.05463	1.0
203.03438	0.4
203.17932	1.1
205.01270	0.9
207.06367	0.3
209.07922	0.5
213.05510	0.4
217.01247	0.8
219.06493	0.4
221.18930	3.0
225.05522	0.3
228.04239	0.3
229.04901	4.0
229.14366	0.4
231.02884	0.3
239.03462	0.3
239.20000	8.5
247.05864	0.6
253.04971	0.8
257.04364	3.8
257.21066	0.5
259.02594	0.3
267.15851	2.2
271.06030	0.7
273.03995	0.3
274.04700	0.8
281.04541	0.7
285.03964	2.1
285.16904	7.0
287.23856	0.4
294.11783	0.9
299.05408	1.1
303.04929	80.9
304.05316	3.4
305.02795	0.4
305.24521	0.4
307.26208	1.3
313.03384	0.3
313.27133	0.3
315.04996	0.8
323.26059	0.3
325.27313	1.2
327.04929	0.6
329.02832	2.5
343.28421	1.5
345.05954	2.0
347.03931	4.4
355.04413	5.8
361.29343	0.4
365.06491	0.5
377.06491	0.4
379.28577	0.9
387.07196	0.5
395.08032	0.3
397.29449	1.3
405.05701	0.3
407.07535	15.1
408.07962	0.7
413.08649	1.5
431.09726	0.7
447.22345	0.3
449.08636	10.1
450.09018	0.7
481.11215	100.0
482.11569	5.9
583.43152	0.3
619.20306	0.3
627.22498	0.4
627.32922	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.5176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	2.6
57.03418	2.4
57.07065	100.0
58.86407	2.7
59.04989	48.2
69.29986	18.9
69.30393	3.5
71.08615	65.1
83.08605	2.3
85.10170	66.4
87.04452	3.6
89.06023	8.6
97.10185	3.6
99.11720	14.9
101.09640	6.6
107.55265	2.0
113.13263	4.9
117.09106	16.6
147.10207	2.6
155.17918	9.5
175.13301	3.0
205.14317	3.8
210.78442	2.0
213.22089	22.2
223.15350	2.6
245.15810	2.2
254.24709	3.3
260.58148	2.1
271.26303	29.6
329.30643	3.7
626.65723	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	627.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
55.01865	0.8
55.05510	2.8
56.05015	0.3
57.03430	4.0
57.07060	1.3
59.04983	1.0
61.02913	0.7
65.03919	0.4
67.05498	2.8
68.05818	0.5
68.99776	0.5
69.03414	2.5
69.06678	0.7
69.07059	14.5
69.80283	1.4
70.06576	1.2
70.07397	2.0
71.04982	23.5
71.08602	0.3
72.08141	0.5
73.02899	1.0
75.04466	0.7
75.98423	0.2
78.51145	0.3
79.05489	1.6
81.03423	1.9
81.07045	8.8
81.07521	0.5
82.07372	1.2
83.04960	1.1
83.08607	1.9
84.08130	1.2
84.08947	0.4
85.02894	25.8
85.06526	1.1
86.03229	0.4
86.09688	0.6
87.00815	1.1
87.04449	0.9
88.03874	0.3
91.05451	1.8
91.27549	0.3
93.03410	0.3
93.07035	4.0
94.07368	0.4
94.99707	0.2
95.04944	2.0
95.08595	6.7
96.08929	1.2
97.02873	1.2
97.06507	1.3
97.10153	0.9
99.04434	0.9
99.08063	0.9
100.08425	0.3
101.05995	0.5
101.10278	0.2
103.03909	0.3
103.05461	0.5
105.01849	1.3
105.07023	2.7
107.04961	0.7
107.08572	3.1
108.08914	0.5
109.02860	1.6
109.06518	1.5
109.10139	4.8
110.10491	0.9
111.00783	0.8
111.04443	0.8
111.08070	1.0
111.11711	4.0
112.12031	0.9
117.03417	0.3
117.07018	0.5
119.01698	0.3
119.04916	0.6
119.08552	2.3
120.08092	0.4
120.08889	0.5
121.02841	1.2
121.06497	0.8
121.10121	2.6
122.10439	0.5
123.04401	0.6
123.08068	0.8
123.11682	4.6
124.12032	1.2
125.05954	0.5
125.09573	0.6
127.03928	1.8
127.11176	0.9
129.05472	5.7
131.04875	0.4
131.08556	0.7
133.06454	0.4
133.10075	1.3
135.08054	0.5
135.11705	0.9
136.12024	0.3
137.02368	2.0
137.05957	46.6
137.13210	1.4
138.06325	0.9
138.13658	0.3
139.11150	2.9
140.11494	0.8
143.08615	0.3
145.04933	0.6
145.06427	0.3
145.10100	1.3
146.08095	0.3
147.04375	0.8
147.06471	0.7
147.08040	0.4
147.11668	1.3
149.06004	0.6
149.09560	0.5
149.13243	1.4
150.13574	0.4
151.03966	0.4
151.07500	0.4
151.11165	0.4
151.14767	0.6
153.01823	2.2
153.05353	0.5
153.12718	0.4
155.10664	0.3
157.12219	0.8
159.02837	0.3
159.11707	1.1
160.12016	0.3
161.05945	0.5
161.09563	0.6
161.13239	1.0
162.07573	1.0
162.13640	0.5
163.03822	0.4
163.07509	0.3
163.14844	0.7
165.01820	1.1
165.09091	0.4
165.12753	0.8
167.07001	1.5
167.14302	0.4
173.13263	0.5
174.13666	0.3
177.05428	0.4
177.12727	0.5
179.07007	17.1
179.14288	0.9
180.07373	0.4
181.04974	0.3
183.02870	0.5
183.13628	0.4
185.09686	0.3
187.03940	0.4
187.11140	0.4
191.07095	0.5
191.17923	0.3
193.15813	0.4
195.02953	0.3
199.14856	0.4
201.05396	0.6
207.06479	0.5
215.03343	0.5
229.04877	2.3
233.18880	0.4
247.06001	0.5
251.19872	0.3
253.04956	0.5
257.04446	1.8
271.24042	0.3
274.04517	0.3
277.25137	0.5
278.25568	0.4
281.04303	0.3
285.03897	0.9
288.24173	0.5
289.25095	1.5
290.25604	1.0
295.26208	3.9
296.26590	3.6
299.05493	1.1
302.04199	0.4
303.04935	100.0
304.05307	3.9
306.25146	0.4
307.26242	9.3
308.26614	8.6
317.02859	1.3
325.27322	3.2
326.27606	3.4
327.04929	0.9
330.03851	0.7
341.06326	0.3
343.28329	0.9
344.28653	0.9
345.05981	7.1
346.06693	0.5
355.04410	5.1
387.07111	3.6
405.08246	0.7
407.07712	2.7
449.10187	1.4
481.11227	9.3
482.11447	0.8
520.30060	0.3
523.12445	0.4
538.31140	0.7
556.31653	0.5
571.61426	0.3
627.21893	0.4
627.29767	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50874	1.5
53.03929	4.2
55.01860	4.7
55.05497	17.3
57.03415	6.2
57.07059	5.1
59.04979	4.7
61.02908	2.9
67.05497	19.8
69.03419	14.0
69.07056	80.2
69.28009	7.8
69.28437	9.8
70.06569	6.9
70.07394	2.7
71.04978	22.1
71.08624	2.8
72.08163	2.0
73.02894	3.5
76.02212	4.2
79.05488	10.4
81.03419	8.9
81.06588	3.5
81.07044	62.6
82.07369	5.7
83.04960	4.5
83.08620	10.8
84.04489	4.1
84.08134	4.8
85.02892	31.7
85.06536	12.7
86.09679	3.6
87.00806	7.5
91.05463	12.1
93.07033	27.6
94.07354	5.8
95.04960	19.2
95.08591	50.7
96.05257	2.2
96.08913	3.9
97.02895	10.6
97.06506	8.9
97.10144	8.0
99.04416	2.4
99.08078	6.2
101.06029	4.1
105.01863	5.7
105.07015	15.5
107.04940	4.0
107.08577	21.4
108.08897	2.3
109.02852	6.6
109.06493	5.5
109.10137	34.9
111.04405	2.8
111.08075	9.3
111.11694	25.7
117.07008	2.8
119.04977	1.9
119.08574	12.5
120.08926	2.1
121.06471	2.6
121.10115	21.5
122.10447	3.2
123.07172	1.6
123.08000	3.5
123.11692	31.3
124.11951	3.1
125.09612	5.2
127.03926	9.8
127.11161	7.3
129.05475	4.2
129.12717	2.0
130.08595	2.0
131.08524	6.1
133.06448	1.6
133.10089	9.8
135.08057	4.0
135.11668	13.8
137.05948	27.1
137.09608	4.9
137.13234	11.5
138.09927	1.7
138.13617	1.9
139.11179	18.5
143.08487	1.8
145.04968	2.5
145.10097	7.4
146.08118	4.7
147.02841	2.2
147.04346	1.9
147.07979	1.9
147.11678	9.2
149.09566	5.0
149.13249	12.8
151.11127	4.7
151.14775	4.9
153.12778	2.0
157.10115	2.4
157.12206	4.6
159.02802	1.7
159.07924	2.2
159.11646	5.7
160.11955	1.9
161.09563	2.5
161.13239	7.8
162.07602	3.9
162.80481	1.7
163.14810	5.6
165.01761	1.9
165.09084	2.3
165.12724	4.6
167.07013	5.1
167.14261	1.8
169.15875	1.9
172.12122	1.7
173.09628	2.2
173.13216	3.4
175.14778	2.5
177.05453	2.3
177.12653	3.4
177.16286	2.2
179.04874	2.2
179.07018	11.4
179.14284	5.0
181.04883	1.8
189.16373	2.6
191.17831	3.5
201.16345	2.2
203.17952	2.4
214.12357	1.8
214.16638	2.2
215.17857	3.8
219.20935	1.8
231.04834	2.5
233.09250	1.9
237.18349	2.5
255.19421	2.1
271.24103	3.6
277.25180	5.6
285.12167	2.3
287.23639	4.3
288.23990	3.1
289.25256	21.2
294.11819	2.4
295.26270	32.6
296.26569	3.1
303.04941	59.0
303.13309	3.7
305.24765	7.6
306.25076	7.5
307.26248	100.0
308.26605	6.6
313.27295	2.5
323.25693	4.2
324.26010	4.5
325.11795	1.9
325.27222	39.8
326.27740	2.9
343.28140	9.4
345.06061	5.3
355.04431	4.2
407.07605	2.5
429.20795	2.6
481.10938	6.8
519.29700	1.8
537.30389	4.1
555.31104	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	626.373
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91985	1.5
53.03947	1.8
55.01870	2.4
55.05503	15.8
57.01742	1.5
57.03429	4.1
57.07058	5.5
57.63721	1.6
58.84828	1.7
59.04988	2.7
61.02906	1.5
66.52090	1.8
67.05491	18.7
69.03422	10.3
69.06677	2.7
69.07056	56.5
69.22215	20.2
70.06570	8.0
71.04977	9.6
71.08619	3.0
72.08155	3.7
73.02893	2.5
79.05482	15.7
81.03394	6.7
81.07043	83.7
82.06593	1.9
82.07342	2.0
83.04960	5.7
83.08601	12.9
84.08118	6.2
85.02885	12.4
85.06509	10.4
86.09682	2.3
87.00797	2.2
91.05468	15.2
93.06464	3.6
93.07028	39.9
94.07331	2.1
95.04949	8.4
95.08591	54.3
96.08920	2.7
97.02899	4.4
97.06516	11.7
97.10164	7.1
99.04433	2.4
99.08076	3.8
99.54189	1.7
105.01832	4.2
105.07014	32.4
106.07309	3.4
107.04900	2.5
107.08575	34.4
109.02899	3.6
109.06503	9.8
109.10131	41.7
111.04462	2.1
111.08079	11.6
111.11714	15.2
117.03407	2.0
117.07007	2.9
119.04922	2.0
119.08562	19.8
120.08058	2.1
121.06454	3.8
121.09307	3.4
121.10123	42.3
121.10913	3.4
122.02733	2.2
122.10448	2.7
123.04417	2.0
123.11692	69.5
124.07582	4.2
124.12009	2.2
125.09617	8.0
125.13248	1.8
127.03914	7.9
130.08633	5.1
131.04945	2.6
131.08560	5.7
133.10109	14.6
135.11681	18.6
136.07501	2.0
137.05942	5.3
137.09615	4.5
137.13231	11.9
138.05522	1.9
139.11145	14.8
145.04997	2.5
145.10092	7.8
146.08104	1.8
147.04419	2.6
147.11658	23.3
148.11971	1.7
149.05937	4.5
149.13228	16.0
151.03893	2.5
151.07489	2.5
151.11182	11.0
151.14786	3.0
153.12712	12.8
159.07935	1.9
159.11673	7.6
161.13261	7.4
163.07574	2.2
163.11186	4.6
163.14789	7.1
165.09100	2.6
165.12750	26.8
165.86186	1.9
167.07036	7.7
167.14293	4.7
169.12228	10.3
173.09515	2.5
173.13184	4.6
174.05586	2.4
175.14804	11.8
177.05446	2.6
177.16418	3.0
181.04915	3.5
181.08556	2.2
181.12207	10.1
185.13167	1.9
187.14813	3.1
189.16348	3.8
191.17987	3.3
201.16318	4.3
203.17915	3.3
215.17857	2.2
229.06084	2.0
229.19693	1.9
231.04922	2.0
233.18973	2.2
245.22672	7.9
249.06049	2.0
249.22125	2.4
259.24240	1.7
271.24115	20.6
277.25171	13.0
283.10574	2.0
285.12079	2.3
287.10187	2.0
289.25201	65.0
290.25580	2.6
295.26337	4.1
307.26251	100.0
308.26648	4.2
311.22202	2.2
315.04941	5.9
325.27249	14.9
416.72183	2.1
417.15192	2.4
466.19492	3.9
519.29333	4.7
537.30145	4.0
555.31567	5.7
626.37244	2.3
627.23792	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	625.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.9
55.01851	1.9
55.05505	5.8
57.03418	2.8
57.07069	1.0
61.02908	1.8
65.03915	1.2
67.05172	1.2
67.05494	16.7
67.25455	0.9
69.07055	5.2
70.06580	0.9
71.04977	2.3
71.53339	1.4
79.05483	12.1
81.03406	1.3
81.07038	16.3
83.04993	1.1
83.08620	2.3
85.02869	1.5
91.05460	16.4
93.07033	15.4
95.04955	2.0
95.08591	10.7
97.02889	1.2
97.06519	1.6
97.10139	1.5
99.08047	1.0
101.72205	1.1
105.07020	19.5
107.04903	1.5
107.08585	7.8
109.06495	2.1
109.10120	3.5
111.08031	1.2
115.05432	0.9
117.07009	8.9
119.08570	12.7
121.06496	2.1
121.10140	6.4
123.08060	1.5
129.06967	7.0
130.08644	1.5
131.04869	1.0
131.08543	18.1
133.06483	1.1
133.10095	8.3
135.08066	1.5
135.11647	1.7
137.09515	1.0
139.85846	0.9
141.06978	1.9
142.96724	0.9
143.08553	6.3
145.06473	1.3
145.10092	10.8
147.07991	2.6
147.11705	1.9
149.09550	2.8
155.08502	3.7
157.10071	4.7
159.07999	1.0
159.11655	4.6
161.09631	1.2
161.13249	1.4
169.10060	2.7
171.11635	3.3
173.09677	1.7
173.13177	1.4
181.10083	1.6
183.11670	2.7
185.13206	2.6
187.11137	1.2
193.10066	1.0
195.11630	2.4
197.13229	2.6
199.14893	1.5
209.13263	1.7
211.14760	1.7
227.59874	1.0
247.16821	1.5
259.16776	1.5
273.18744	0.9
275.19931	1.0
286.90109	0.9
302.30399	4.9
325.25284	1.6
335.23618	2.0
343.26102	2.7
353.24670	6.8
371.25674	8.5
389.26782	9.0
403.87524	0.9
406.26520	1.0
445.29395	100.0
446.29480	4.2
463.30402	24.7
464.30975	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.4
55.01852	2.9
55.05501	9.3
57.03414	2.9
60.73086	1.3
67.05492	22.3
68.96089	1.3
69.03404	2.7
69.07059	9.4
70.06592	2.3
71.04980	2.4
71.53784	2.6
73.02913	1.5
79.05476	16.8
81.03413	2.1
81.07043	26.3
83.04968	2.2
83.08599	6.2
84.08118	1.6
85.02866	2.6
85.06527	1.9
91.05465	22.0
91.17976	1.2
93.07027	20.8
93.34788	1.2
94.30889	1.2
95.04962	3.1
95.08597	16.4
97.02876	1.2
97.06512	2.6
97.10132	6.9
99.42986	1.2
103.05503	1.4
105.06380	1.9
105.07021	21.1
107.04919	2.1
107.08589	12.8
109.06495	3.6
109.10139	5.0
111.08070	2.5
115.05442	2.1
117.07001	12.7
119.08550	16.5
121.06473	2.8
121.10140	8.5
125.09620	5.5
129.07021	8.9
130.08643	4.1
131.08539	22.8
133.06474	2.7
133.10089	10.7
135.08022	3.0
135.11671	2.6
141.07024	3.3
141.77841	1.5
143.08540	10.4
145.06427	2.9
145.10110	14.1
147.11700	2.2
149.09529	2.6
155.08510	7.3
157.10081	7.1
159.11630	7.0
161.09622	1.4
161.13223	2.3
167.08487	1.5
169.10123	4.4
171.08046	1.6
171.11711	3.8
173.13249	3.0
181.10149	2.6
185.09511	1.8
185.13246	3.2
187.14839	3.6
189.11259	2.0
195.11772	1.8
197.13179	2.5
205.15991	1.5
209.13232	3.0
211.09435	5.6
211.14812	1.3
213.16284	2.3
223.14787	1.5
225.16446	1.6
227.12674	3.4
233.15323	1.8
247.16917	1.4
259.16913	1.5
308.09375	1.4
325.25201	2.4
335.23776	1.9
343.26254	3.7
353.24704	13.9
371.25757	14.9
389.26880	16.9
391.46167	1.3
437.21420	4.1
445.29419	100.0
446.29883	6.0
463.30457	61.6
464.30844	4.1
625.31830	70.5
626.32281	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48709	0.5
53.03930	1.2
55.05500	5.9
57.03414	1.8
57.07051	1.1
59.04978	0.7
61.02897	0.6
67.05492	14.6
69.03384	0.6
69.07052	5.5
70.39085	2.3
71.04967	1.4
79.05054	1.1
79.05480	11.5
81.03406	0.9
81.06578	1.0
81.07040	15.9
83.04950	0.9
83.08596	2.0
85.06506	1.4
91.05463	18.0
93.07029	13.4
95.04946	2.3
95.08588	11.0
97.02896	0.7
97.06500	1.9
97.10143	2.3
99.08047	0.7
103.05431	0.6
104.35667	0.6
105.07008	16.4
107.04910	1.4
107.08586	6.4
109.06516	1.8
109.10142	4.0
111.08083	0.6
111.21146	0.6
115.05453	1.1
117.06997	8.0
119.08555	12.1
121.06483	2.9
121.10130	6.9
123.08030	1.6
123.11742	0.6
128.06209	0.9
129.06978	5.9
131.08542	15.2
133.06476	2.0
133.10098	6.4
135.08018	1.3
135.11674	2.3
137.09515	0.7
137.51784	0.6
141.06995	1.9
143.08530	4.8
145.06479	1.0
145.10092	9.2
147.08064	1.9
147.11678	2.2
149.09583	2.4
151.11133	0.8
155.08572	3.6
157.10080	4.4
159.11693	4.7
161.09645	1.1
161.13263	1.2
167.08585	1.0
169.10097	3.1
171.11679	3.1
173.09537	1.0
173.13211	2.1
175.11169	0.9
181.10094	2.0
183.11681	2.7
185.09628	0.7
185.13246	2.1
187.14816	1.3
195.11670	2.4
197.13145	2.7
199.11041	1.1
199.14841	1.6
201.12733	0.9
205.15901	0.7
209.13197	1.8
211.14853	1.3
213.12695	1.4
225.16376	0.8
232.56270	0.7
237.16327	0.6
241.15817	0.9
247.16943	1.3
259.16910	1.1
261.18295	0.8
313.42020	0.7
325.25256	1.2
335.23749	2.0
343.26309	1.9
353.24683	5.8
359.67114	0.7
371.25748	9.2
389.26758	11.3
427.28955	1.5
445.29419	100.0
446.29688	3.1
463.30515	25.3
469.36588	0.7
515.55267	0.6
625.32904	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	625.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98406	0.6
53.03891	1.5
55.01823	1.2
55.05450	6.4
57.03377	3.1
57.07035	1.3
65.03903	0.9
67.05492	19.7
68.55389	0.6
69.03395	0.7
69.07058	8.1
69.56056	1.5
69.56384	5.7
69.76627	0.6
71.04955	1.3
76.97783	0.7
79.05481	16.2
81.03352	1.7
81.07043	20.3
83.04942	1.4
83.08614	4.0
85.02864	0.9
85.06492	0.9
91.03858	0.6
91.05465	23.6
91.82355	0.7
93.07024	17.6
94.07371	0.7
95.04959	3.7
95.08594	15.4
97.02770	0.8
97.06526	3.5
97.10126	1.4
98.20793	1.3
103.05435	0.9
105.07012	23.9
107.04873	2.3
107.08575	11.1
109.06434	2.0
109.10142	5.2
110.89510	0.7
111.08003	1.4
111.77922	0.7
114.28380	0.7
115.05399	0.8
117.06999	10.4
119.08556	17.5
121.06401	2.5
121.10129	7.4
123.07986	1.5
123.11664	0.8
128.06131	1.5
129.06972	8.2
131.08548	22.3
133.06403	1.6
133.10109	10.3
135.07948	2.4
135.11652	3.2
137.09579	1.2
141.06960	3.8
142.07753	0.9
143.08530	8.4
145.06407	1.4
145.10103	13.4
147.07919	2.1
147.11597	3.0
149.09541	2.5
155.08549	4.3
157.10094	6.1
159.07974	1.9
159.11653	6.1
161.13159	1.9
163.11115	1.0
165.09100	0.6
167.08502	2.0
169.10089	3.7
171.11713	4.5
173.13252	4.1
175.11069	1.4
175.14810	0.8
179.08516	1.1
181.10027	3.2
183.11597	4.2
184.06876	0.7
185.04132	1.0
185.13153	3.1
187.11107	1.5
187.14728	2.5
188.55095	0.8
195.11562	2.8
197.13203	2.7
199.14682	1.7
201.16417	1.1
203.05231	1.7
207.11772	0.9
209.13107	2.5
211.14668	2.1
213.12646	0.9
213.16257	1.3
215.14262	1.3
223.14665	2.0
227.14272	1.3
229.70258	0.7
233.15381	0.9
237.16386	1.2
241.15706	1.1
247.16916	1.6
255.17319	1.0
259.16846	0.9
261.18350	1.1
269.18729	0.9
273.18369	1.5
275.20129	0.8
325.25146	2.1
335.23627	2.8
343.26172	4.4
353.24667	10.6
371.25708	13.0
389.26810	14.5
427.28217	1.9
435.31174	1.0
445.29428	100.0
446.29800	2.8
463.30679	54.7
590.84650	0.8
607.33978	0.8
625.31848	24.2
625.42279	1.1
626.32550	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	625.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.4
55.01858	4.6
55.05502	19.7
57.03421	4.7
57.07058	9.7
58.07597	1.5
59.04977	3.6
61.02916	1.6
65.03910	2.3
67.05489	34.4
69.03417	16.2
69.06670	2.5
69.07053	49.8
70.06574	6.9
70.07398	1.7
71.04983	12.9
72.08153	1.8
73.02898	2.7
73.06548	1.7
79.05476	22.4
80.12905	1.3
81.03410	10.1
81.07041	100.0
83.04966	14.5
83.08614	10.0
84.08134	6.7
85.02892	23.4
85.06528	65.2
85.06924	1.3
86.09706	3.5
87.00817	6.7
87.04446	1.5
88.02207	1.9
91.05467	16.2
93.07026	60.7
94.07362	2.7
95.04951	28.3
95.08591	72.6
96.08085	1.4
96.08899	1.9
97.02869	8.3
97.06513	12.7
97.10146	4.9
99.04430	7.7
99.08075	5.4
101.05994	5.0
103.05428	2.4
105.01820	7.3
105.07015	40.2
106.07341	5.0
107.04948	2.1
107.08573	54.2
109.02871	6.7
109.06497	10.4
109.10137	71.9
111.04443	1.7
111.08067	18.1
111.11691	8.1
111.19000	1.3
113.09611	2.2
115.03808	1.7
117.06976	4.4
119.08566	28.9
120.08145	2.2
121.06495	5.4
121.10122	47.4
123.08060	5.0
123.11684	52.2
125.02351	1.4
125.05993	2.4
125.09635	10.1
127.03910	13.8
127.07546	3.1
127.11132	11.8
128.06155	1.8
129.06975	2.7
130.08603	3.9
131.04945	1.6
131.08539	10.2
133.10106	27.1
134.10405	3.0
135.08011	5.7
135.11667	28.3
137.05981	4.4
137.09576	6.3
137.13226	21.9
139.11160	31.7
141.12730	3.8
143.08521	4.0
143.10715	1.8
145.04932	4.1
145.10059	18.5
145.10957	1.7
146.08051	1.9
147.04387	1.8
147.11676	29.1
149.05931	2.6
149.09631	3.5
149.13228	21.1
151.11137	24.2
153.12715	16.2
155.08463	1.7
155.10619	1.8
157.10060	6.7
157.12218	3.9
159.02878	3.6
159.11661	17.4
161.05974	1.8
161.09579	5.2
161.13211	9.4
163.11142	12.3
163.14789	5.8
165.12730	13.1
167.07066	2.7
167.10654	2.6
167.14270	17.0
169.12236	3.1
171.11676	5.2
171.13794	5.0
173.13245	9.0
175.11226	2.2
175.14812	5.4
177.05469	5.6
177.12714	2.3
177.16333	5.1
179.07051	1.7
179.10657	1.7
179.14195	1.5
181.04979	1.9
181.12181	10.4
183.13814	5.5
185.13261	3.6
185.15399	2.3
187.14752	9.0
189.05522	2.0
189.09055	3.2
189.12677	1.9
189.16418	9.2
191.10583	2.6
191.14261	2.9
195.13860	2.6
199.13184	2.3
199.14825	3.2
201.14749	2.0
201.16376	8.8
203.17926	4.2
205.15855	4.1
205.19278	1.8
207.06534	2.3
207.17442	3.6
213.03983	2.0
213.16418	9.1
215.17940	5.1
217.19476	2.9
219.10172	4.1
219.17432	3.0
223.16821	1.9
227.18008	1.7
231.04912	2.4
231.17427	6.3
233.18945	1.9
237.18483	4.0
243.21181	2.6
249.18462	10.6
251.20006	3.4
257.22690	2.2
267.19434	13.3
269.22690	9.8
275.23703	4.6
277.25186	1.9
283.15427	2.4
287.05487	2.6
287.23602	25.8
293.24625	9.8
294.14209	2.4
305.24683	91.8
306.25009	3.3
311.25739	5.5
323.25751	55.6
323.29495	3.3
324.26239	1.9
341.26779	14.8
359.27911	4.4
377.29016	3.0
378.08710	1.7
535.28912	2.3
553.29565	2.5
625.29669	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	625.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03374	0.3
57.07058	0.9
59.04977	0.5
66.56535	0.3
67.05490	0.8
70.73740	0.9
70.74086	0.3
71.08616	0.7
79.05473	0.8
81.07040	1.0
83.04961	0.4
84.08117	0.5
87.04451	0.4
89.06036	0.7
91.05447	0.4
93.07028	0.9
95.08584	0.8
105.07023	0.4
107.08597	0.5
109.10204	0.4
119.08572	0.5
121.10142	0.4
133.08636	0.6
145.10034	0.4
390.18097	0.5
391.19324	0.7
392.20059	0.6
405.20865	1.5
406.21579	0.9
407.22754	0.8
418.17389	1.6
419.17929	2.0
419.23291	0.5
420.23288	2.8
432.19492	1.5
433.20001	5.3
434.20935	1.4
435.22394	0.7
437.23584	1.1
439.14105	0.4
445.20215	0.4
446.21008	1.3
447.21567	4.5
448.22348	2.0
449.19498	2.8
450.17062	1.6
451.25455	2.4
452.25967	0.7
461.23373	0.6
463.20572	3.2
464.21841	2.1
465.22800	4.0
477.22818	2.4
478.23627	6.5
479.24698	8.6
491.24854	2.0
492.25290	0.6
495.23627	0.6
505.25870	1.2
509.21143	0.5
510.26099	1.0
519.24243	0.9
521.25836	0.6
523.23029	2.3
533.25800	0.5
534.26245	0.7
535.26526	0.7
536.20227	0.9
537.25232	1.4
551.26196	0.7
565.28387	27.3
566.27838	1.2
593.27106	1.1
594.28394	0.7
596.26288	0.6
597.30402	0.8
625.30096	100.0
626.30634	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	625.1753
Annotation	Isorhamnetin-3-Glucoside-4'-Glucoside
Peak:m/z	Relative Intensity
53.03928	0.4
55.01856	0.6
55.05490	0.7
57.03187	0.2
57.03430	2.0
59.04988	0.2
60.04510	0.3
61.02920	0.8
65.03908	0.1
67.05495	0.3
69.03416	1.4
69.07058	0.4
69.22201	0.3
69.22594	1.5
69.89410	0.2
70.06585	3.7
71.01345	0.1
71.04982	11.0
72.08148	0.3
73.02895	0.6
75.04459	0.4
79.05446	0.3
81.03397	0.8
81.07043	0.8
82.06540	0.2
83.04980	0.8
83.08592	0.6
84.08112	0.4
85.02893	15.3
85.06494	0.2
86.09675	0.4
87.04440	0.6
91.03906	0.2
91.05452	0.6
92.02607	0.3
93.03374	0.5
93.07016	0.8
95.04957	0.4
95.08601	0.8
97.02874	1.5
99.04418	0.6
100.07598	0.4
100.11239	1.2
103.03925	0.2
103.05458	0.2
105.07014	1.1
107.04942	0.2
107.08547	0.5
108.49500	0.1
109.02848	0.6
109.06536	0.2
109.10116	0.6
110.07175	0.2
111.00813	0.3
111.04419	0.8
111.08089	0.2
115.08681	0.2
118.06516	0.5
119.08559	0.4
120.08070	0.6
121.02847	0.7
121.06482	0.2
121.10119	0.6
123.04393	0.2
123.11630	0.2
126.03105	0.2
127.03926	1.0
128.07039	0.5
129.05458	3.5
131.08536	0.2
132.35997	0.2
133.09198	0.1
133.10081	0.8
135.07999	0.2
135.11803	0.2
136.07593	0.3
137.02321	0.2
137.05945	0.5
137.07002	0.3
137.09583	0.2
139.03845	0.6
140.07028	0.3
145.04967	0.9
146.06010	0.9
147.06477	1.0
147.11693	0.3
151.03918	0.7
153.01802	4.0
157.09735	0.6
161.09604	0.5
162.09872	0.3
165.01823	0.5
172.11185	0.2
177.05516	0.3
182.15385	1.0
185.09198	0.4
190.09424	0.2
201.05415	0.6
209.16489	0.2
210.14851	1.5
217.04936	0.3
218.05621	0.4
219.02814	0.2
228.04128	0.8
229.04968	2.0
230.05455	0.2
245.04532	0.6
246.05200	1.3
257.04333	1.8
260.10434	0.2
271.06024	0.3
273.03867	1.1
274.04691	3.1
275.11520	0.2
284.03125	0.2
285.03888	3.0
287.05426	0.5
287.23605	0.2
288.06158	0.2
293.13840	0.2
294.14215	0.2
296.03552	0.2
299.05185	0.2
302.04163	10.3
303.04568	0.4
305.24673	0.3
315.13394	0.2
317.06500	100.0
318.06857	1.9
322.13684	0.2
323.25674	0.3
330.14447	0.8
425.13913	0.2
435.89740	0.2
441.17554	0.3
479.11783	0.4
608.39929	0.2
625.26050	2.4
625.42255	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.6
55.01865	1.5
55.05498	9.2
57.03435	2.4
57.07062	6.9
59.04987	3.6
61.02917	1.0
65.03927	1.6
67.05494	19.5
69.03423	9.3
69.07058	28.8
69.89085	1.8
69.89503	3.3
70.06583	1.2
71.04984	14.5
71.08610	0.9
73.02921	1.0
73.06609	0.9
77.03911	1.5
79.05482	13.9
81.03394	7.3
81.07043	92.8
82.07360	0.9
83.04971	2.9
83.08604	10.8
84.08175	1.0
85.02883	11.3
85.06522	4.3
86.09711	1.4
87.00824	5.7
87.04459	2.8
91.05463	12.7
93.07029	67.4
95.04471	0.7
95.04953	56.2
95.08591	71.8
97.02862	4.6
97.06513	6.5
97.10150	4.6
99.04425	1.8
99.08069	3.6
103.05413	0.9
105.01852	4.4
105.04561	1.6
105.07018	25.4
107.08576	32.2
109.02862	3.8
109.06518	8.6
109.10137	29.9
109.10914	0.9
111.08060	9.8
111.11703	3.0
113.09660	1.4
113.87051	0.9
117.07009	1.9
119.04955	1.1
119.08555	19.5
120.08108	1.0
121.06470	1.9
121.10123	30.1
123.08023	3.5
123.11686	34.7
124.61658	0.9
125.05899	1.4
125.09574	4.8
125.13261	1.0
127.03885	6.1
127.07575	2.0
127.11203	6.0
129.07004	1.2
131.08554	8.1
133.10121	13.2
135.08020	1.7
135.11673	13.8
137.05977	1.3
137.09583	3.6
137.13229	51.5
139.11162	6.9
141.12769	5.2
143.08546	2.9
143.10649	1.1
145.04953	3.8
145.10107	12.0
147.08076	1.0
147.10497	1.8
147.11670	28.1
148.11911	1.1
149.09589	2.4
149.13229	12.2
151.11165	3.8
151.14879	1.1
153.12743	5.3
157.10104	9.0
159.02852	2.9
159.11659	16.9
161.09685	1.4
161.13239	9.5
163.11183	2.5
163.14763	4.6
165.12730	13.2
167.10667	5.0
167.14342	1.0
171.11685	3.7
173.13210	10.0
175.14760	4.7
176.16544	0.9
177.12750	2.7
177.16379	3.9
179.14275	1.2
181.04955	1.3
181.12245	1.8
183.13733	5.5
185.13289	2.8
187.14841	4.0
189.16396	3.4
191.17915	1.0
193.15849	1.7
195.13806	1.0
195.17465	1.8
199.14835	5.7
201.09169	1.1
201.14789	7.1
201.16428	9.0
203.17911	3.4
213.03752	1.0
213.16379	8.2
213.18364	1.5
215.17953	3.1
217.19507	2.8
219.21068	1.2
225.18570	1.1
227.17947	1.7
229.19518	2.8
231.05009	1.6
233.19099	1.4
235.20526	1.7
243.21094	2.5
245.22929	1.0
247.20581	1.5
259.24170	1.8
261.22153	2.3
263.23883	1.0
269.22617	13.8
270.22845	1.1
275.23721	2.9
277.25204	11.0
287.23639	49.3
293.24673	14.3
305.24692	100.0
306.24960	2.4
311.25723	11.8
317.24478	1.1
323.25760	60.2
341.26678	5.9
359.27908	1.3
377.24384	1.0
413.27289	1.0
416.14908	1.0
431.28247	1.3
517.27734	1.5
526.12714	1.0
535.28796	3.9
553.29889	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	624.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	0.3
54.52676	0.4
55.01853	1.4
55.05499	0.5
57.03427	2.7
57.07058	0.9
57.22586	0.4
58.99564	1.6
59.04985	0.4
61.02917	1.9
67.05498	2.0
69.03419	33.5
69.07070	2.3
70.06579	1.8
71.01308	0.5
71.04967	0.9
71.22753	0.8
72.08152	0.7
73.02503	0.5
73.02904	9.9
73.07482	0.4
76.02215	3.0
78.39329	0.4
79.05477	1.8
81.03389	1.5
81.07043	3.2
83.04957	2.6
83.08586	0.6
84.04477	0.9
84.08128	1.5
85.02893	8.8
85.06522	1.1
86.09675	0.5
86.99003	0.8
87.04449	0.9
89.36051	0.4
91.05460	1.2
93.07030	3.6
95.08592	5.3
97.02873	4.5
97.06524	2.3
99.04424	0.7
100.02175	1.5
105.00061	1.6
105.07050	2.3
107.04941	0.9
107.08581	8.5
109.02847	1.3
109.06503	3.3
109.10123	1.6
110.07167	0.8
111.08066	2.1
115.03940	3.2
117.06976	0.5
119.08558	2.8
120.08071	0.6
121.06525	1.9
121.10123	10.1
122.02713	19.6
123.08095	1.9
123.11684	6.1
124.03872	0.5
125.09618	14.1
127.03883	2.4
129.06557	0.4
130.04942	0.8
130.08606	0.7
131.08534	4.3
131.79398	0.4
133.04942	2.2
133.10094	3.2
135.08037	8.1
135.11662	4.1
137.05972	0.7
143.08591	0.4
145.04932	2.1
145.10136	1.9
146.02707	1.7
147.04407	0.9
147.11649	2.2
149.09593	7.1
149.13226	3.2
151.11165	1.2
153.01849	0.5
153.09079	6.9
154.04962	1.6
158.10878	2.1
163.05896	0.7
163.11121	2.3
163.14806	4.4
164.03741	0.9
165.12718	2.3
167.05190	1.4
167.07010	0.6
167.10635	3.2
168.06564	0.4
173.13243	15.8
176.11943	0.6
177.03185	0.6
177.05472	0.5
188.03664	0.6
191.14273	56.7
192.14612	1.0
197.08269	0.4
197.09882	0.8
200.03694	1.4
207.06483	0.4
209.15332	100.0
210.15662	1.3
218.04803	1.9
223.11487	3.0
230.05072	0.4
236.05640	0.6
241.12538	8.6
248.05815	0.9
254.06963	2.4
266.06927	0.6
284.08011	0.6
293.01163	0.5
298.09491	0.5
321.00589	1.9
330.17294	25.9
349.00003	1.4
371.20386	1.2
372.18506	0.9
462.21381	1.6
474.21472	0.9
492.22540	16.1
495.06857	0.5
549.07562	0.6
606.25909	0.4
624.26886	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	624.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.4
55.01840	1.5
55.05483	3.3
56.05009	1.0
57.03413	1.1
58.38182	1.0
59.04988	2.3
61.02863	1.3
65.03908	1.2
67.05488	3.2
69.03417	6.3
69.07044	3.6
69.17496	4.9
69.17925	6.6
70.06577	3.6
71.04976	18.1
72.08135	1.0
76.02186	1.9
79.05467	6.1
81.03387	1.1
81.07037	11.6
83.04960	1.2
83.08592	1.8
84.08131	35.4
85.02884	4.0
85.06519	1.3
85.08452	2.6
87.04445	5.8
89.06012	21.8
90.06341	4.4
91.05454	10.7
93.07028	9.8
95.04945	4.6
95.08596	8.2
97.02879	2.6
97.06552	1.7
99.04440	35.0
103.05427	1.7
105.07011	100.0
107.04964	1.7
107.08569	10.2
109.06487	1.9
109.10139	4.2
111.08070	1.8
115.05416	1.5
117.07001	2.4
119.04892	1.5
119.08559	13.0
121.06477	4.3
121.09360	1.4
121.10106	7.1
122.02692	3.7
123.08059	5.3
123.11680	2.7
125.09575	1.7
128.06149	1.7
130.07802	1.1
130.08589	6.0
131.08524	3.4
133.04974	6.2
133.06493	10.5
133.08611	11.5
133.10103	76.6
134.08908	3.0
135.08029	1.5
135.11658	4.3
137.05974	2.2
137.09589	1.3
141.01753	1.7
143.07027	1.3
143.07550	1.1
143.08519	7.8
145.10088	7.0
146.07237	3.3
147.11548	2.7
149.13184	1.9
151.07515	1.9
151.11147	2.3
157.09955	1.4
159.11693	2.5
161.09589	92.1
161.13237	3.0
163.11145	15.2
171.08057	5.0
173.13295	1.3
177.11246	5.3
177.12540	1.1
177.16397	3.0
178.11572	1.8
179.10635	26.4
183.06491	1.4
185.08047	5.1
187.14981	1.1
189.09087	38.5
189.16402	5.2
201.16315	2.9
205.15826	1.5
207.10100	15.8
213.07510	9.6
217.15773	1.8
225.11235	5.3
231.08582	8.4
235.17068	1.6
265.14328	4.7
275.12671	4.6
281.13712	8.8
293.13770	54.9
297.20456	2.5
303.12210	8.4
309.20547	4.0
311.14786	9.5
321.13284	26.2
339.14331	29.1
357.15475	1.5
358.20303	1.3
413.17746	5.1
425.33130	1.3
431.19049	2.6
443.34943	1.9
444.27594	1.4
457.16797	2.1
461.35727	9.7
462.35855	9.0
478.19403	2.5
549.33740	2.5
589.21246	1.4
624.26422	6.3
624.41199	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	623.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.3
63.95534	0.2
67.05492	0.3
69.27874	1.8
79.05481	0.3
81.07032	0.4
83.54597	0.2
91.05465	0.4
93.07030	0.6
95.08559	0.3
97.06598	0.2
105.07050	0.6
107.08617	0.2
109.86811	0.2
117.07005	0.3
119.08588	0.3
121.10240	0.2
131.08588	0.2
133.10155	0.3
152.31464	0.2
183.11687	0.2
198.49402	0.2
223.12299	0.3
247.12354	0.3
275.20511	0.2
298.13248	0.2
387.16104	0.3
388.16580	0.4
389.17584	1.1
390.18399	0.4
391.19235	0.5
400.16608	0.3
401.17865	0.7
402.18323	0.8
403.14734	0.3
403.19547	1.4
404.20102	1.3
405.20801	1.3
415.19284	1.1
416.20276	1.4
417.16946	1.8
417.20959	1.7
418.17337	0.6
418.21481	0.8
419.22531	5.1
420.22925	0.6
428.16022	0.3
429.16965	0.9
429.21512	0.4
430.17712	0.7
430.22427	0.4
431.18616	2.9
431.22830	1.6
432.18887	1.9
433.20175	1.9
434.20755	0.2
435.21704	0.6
442.17920	0.6
443.18582	3.8
444.19162	1.4
445.20059	8.4
446.20938	4.6
447.22192	4.6
448.22498	0.6
449.23508	1.6
450.23831	0.3
457.20016	1.1
458.20572	1.0
459.21909	3.6
460.22614	0.9
461.18637	1.2
462.20145	1.5
463.20761	1.7
473.23804	0.9
475.20840	1.7
476.21887	4.8
477.22806	6.3
478.23401	0.7
487.21109	0.2
489.22940	2.1
490.23492	0.6
491.20428	1.0
501.22751	0.3
503.25183	1.0
504.24606	0.3
505.21292	0.9
508.24680	0.3
517.22375	0.5
521.21155	1.2
522.26941	0.2
531.24261	0.4
532.24994	0.3
533.25427	14.3
534.25635	1.4
535.26001	0.7
545.25354	1.0
549.24548	0.3
561.24664	0.5
563.26428	18.7
564.26776	1.5
565.27777	0.4
590.24774	0.4
591.26208	0.5
592.26654	0.5
593.27600	4.8
594.26672	0.4
605.27838	1.3
623.28522	100.0
624.28876	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	623.341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	1.1
53.03938	2.5
55.01860	2.9
55.05499	11.5
57.03432	4.9
57.03656	0.9
61.02911	19.8
65.03941	1.6
67.05490	25.3
69.03417	6.6
69.07050	9.1
70.06327	4.2
71.04988	3.4
73.02911	6.1
77.03902	1.1
79.05473	23.0
81.03392	3.7
81.07035	25.2
83.04950	5.5
83.08606	8.6
85.02885	16.8
85.06529	2.6
91.03934	9.7
91.05461	30.1
93.07025	23.6
95.04938	6.9
95.08585	14.9
97.02869	9.6
97.06522	4.2
97.10157	2.6
99.04421	2.2
99.08061	1.3
103.05462	2.7
105.07012	28.4
107.04937	3.5
107.08574	11.9
109.06483	3.1
109.10138	7.7
111.04437	2.9
111.08007	1.2
115.05426	3.3
117.06985	19.0
119.04916	1.6
119.07764	1.9
119.08552	18.2
121.06503	3.4
121.10137	10.4
123.04430	1.0
123.08059	3.9
123.11693	0.9
124.93192	1.0
125.09604	1.9
127.03909	2.7
127.21261	0.9
128.06184	4.9
129.05519	1.4
129.06975	25.5
131.04901	2.2
131.08542	28.5
133.06477	3.9
133.10106	8.8
135.08043	3.0
135.11670	3.7
137.09619	2.4
139.11166	1.6
141.06982	10.7
142.07820	2.2
143.08531	19.5
145.04942	1.8
145.06444	6.6
145.10085	12.7
147.08043	5.5
147.11665	2.2
149.09596	5.6
149.13214	2.2
151.11203	1.5
153.07008	2.5
154.07805	1.4
155.08521	16.9
157.06422	2.1
157.10104	12.8
159.08015	4.4
159.11613	6.4
161.06067	1.1
161.09564	2.6
161.13222	1.9
163.11185	1.6
165.06992	2.6
165.09099	1.3
166.07751	2.0
167.08534	7.9
168.09334	1.9
169.06419	1.0
169.10092	11.4
171.08028	2.9
171.11639	5.8
173.09590	3.6
173.13205	2.1
175.11153	2.0
175.14789	1.3
178.07823	1.0
179.08565	4.4
181.10094	8.4
183.08002	1.2
183.11682	8.2
183.13101	1.5
185.09613	2.5
185.13220	5.0
187.11096	2.9
187.14783	1.8
189.09029	1.3
189.12759	1.5
192.09407	0.9
193.10098	3.7
193.11807	0.8
194.10770	1.0
195.11697	9.4
197.09595	1.5
197.11668	1.0
197.13196	6.6
199.11136	1.6
199.14758	3.4
201.12709	2.5
203.14316	1.6
207.11662	4.5
209.13167	5.7
211.11325	1.4
211.14799	4.4
213.12701	2.5
215.14310	4.0
217.15756	1.1
219.11763	1.5
220.54883	1.1
221.13194	5.9
223.14888	5.1
225.12695	1.2
225.16237	2.0
227.14413	2.1
229.14186	1.5
231.13840	1.3
233.13280	1.6
235.14813	4.0
237.16431	1.1
239.14267	4.2
241.15930	2.1
243.17485	1.3
245.13338	1.1
245.15561	1.0
249.16623	1.4
253.15833	3.8
255.17604	1.2
257.15353	2.7
259.16995	1.7
267.17352	1.8
271.17017	4.1
275.16272	1.5
283.16599	1.4
315.21024	2.4
323.23566	5.0
333.22089	10.3
341.24725	5.0
351.23105	31.6
364.70486	1.0
369.24191	23.4
370.24573	1.3
387.25204	12.2
407.25540	2.3
415.28433	1.6
425.26907	6.2
433.29291	1.5
443.27841	100.0
444.28027	3.5
461.28894	67.4
462.29099	3.7
551.29541	1.2
605.33264	2.5
623.33844	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	623.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87174	0.2
57.07050	0.3
61.76935	0.1
69.78655	0.9
71.08615	0.3
73.85014	0.2
81.07043	0.2
81.44095	0.2
81.90344	0.1
85.10181	0.3
89.05975	0.2
98.21498	0.3
121.50476	0.2
133.08530	0.3
160.15244	0.1
170.49725	0.2
209.10719	0.4
221.10754	0.3
223.12234	0.3
235.08543	0.2
237.13776	0.2
341.98804	0.2
363.16125	0.3
375.16284	0.2
387.16202	0.3
388.16818	0.5
389.17627	0.5
390.18323	0.5
391.19229	0.9
391.83832	0.2
393.21039	0.3
400.16675	0.2
401.17642	0.6
402.18631	0.5
403.19391	1.5
404.19894	0.8
405.15982	0.3
405.21182	1.4
406.21423	0.5
407.22369	0.9
414.18594	0.2
415.19666	0.9
416.20193	1.0
417.16849	1.1
417.21753	1.5
418.17682	0.7
418.21851	0.5
419.22580	2.8
420.23132	1.0
421.24030	0.4
428.20679	0.3
429.16348	0.4
429.20795	1.0
430.17017	1.5
430.22665	0.4
431.17627	2.6
431.22949	1.1
432.18472	1.0
432.23953	0.4
433.20056	4.6
434.20627	0.6
435.21652	0.4
441.20395	0.2
443.17596	1.1
444.18771	1.7
445.19775	6.0
445.25574	0.3
446.20990	3.4
447.21817	4.9
448.22763	0.9
449.23770	0.9
457.20285	0.7
458.20862	4.9
459.21667	4.9
460.22681	2.9
461.19269	0.6
461.24088	0.4
462.20309	0.7
463.21167	1.4
465.22580	0.4
471.21826	0.4
472.22495	0.6
473.23697	1.6
474.20242	0.2
475.20551	1.4
476.21854	1.1
477.22763	2.1
478.23749	0.4
485.23376	0.5
486.23959	0.2
487.25638	0.3
488.22012	0.2
489.18887	0.3
489.23038	0.6
490.23813	0.3
491.24176	0.5
501.22870	0.3
502.23380	0.3
503.20438	0.6
503.25497	0.3
504.24722	0.5
505.22601	1.4
505.27423	0.2
506.22739	0.3
513.22845	0.3
516.21582	0.4
517.22504	0.6
518.23053	3.7
519.23743	0.6
521.21405	1.1
530.23114	0.4
531.23608	0.9
532.24847	1.2
533.25464	7.4
534.25549	0.7
535.27441	1.6
545.25433	4.1
546.26080	1.0
549.25049	0.3
562.25598	0.3
563.26392	11.2
564.26801	0.7
565.27979	0.4
573.25146	0.7
576.23981	0.2
577.28265	0.9
591.25757	0.6
593.27789	0.3
594.23834	0.2
595.28491	0.2
605.27539	9.4
606.28082	0.8
623.28479	100.0
624.28705	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95852	0.2
53.55319	0.2
57.07058	0.3
58.96194	0.2
59.04953	0.2
67.05499	0.3
69.62997	0.7
69.63397	0.5
71.08597	0.4
76.81226	0.2
77.30651	0.2
79.05466	0.3
81.07053	0.5
89.05997	0.4
91.05462	0.4
93.07028	0.2
94.06510	0.2
95.08577	0.4
106.06525	0.4
133.08540	0.5
195.09111	0.3
197.10716	0.3
204.06471	0.3
209.10750	0.3
210.11566	0.2
210.70695	0.2
211.08698	0.2
211.12347	0.4
221.10666	0.3
223.12279	0.3
224.13049	0.4
225.10223	0.4
225.13834	0.2
235.08499	0.2
235.12245	0.3
237.10139	0.2
237.13922	0.2
265.13333	0.3
284.11563	0.2
300.14688	0.3
311.13885	0.3
312.14957	0.4
314.16278	0.3
328.14404	0.3
338.12863	0.3
340.14548	0.2
342.15918	0.2
353.15134	0.2
354.16354	0.2
368.17654	0.2
375.15948	0.5
376.16891	0.4
377.17444	0.6
378.18365	0.2
387.16422	0.3
388.16772	0.3
389.17682	0.6
390.18478	0.6
391.19266	1.5
392.19800	0.6
393.20645	0.5
400.16382	0.3
401.17453	0.4
402.18384	0.5
403.14624	0.3
403.19708	1.1
404.15524	0.4
404.20355	1.0
405.16681	0.5
405.21152	2.1
406.21750	1.3
407.22263	0.8
415.19482	0.5
416.20084	0.5
417.16019	1.2
417.20990	0.8
418.17139	1.1
418.22491	0.3
419.17636	2.9
419.22635	1.5
420.19241	0.7
420.23615	0.4
421.19003	0.2
421.24179	2.0
428.19638	0.2
429.16895	0.8
430.17615	0.6
431.17621	1.4
431.22800	0.9
432.18835	1.5
433.19995	3.4
434.20953	0.9
435.21567	1.3
437.23724	0.2
442.17725	0.2
443.18646	0.6
444.19382	0.8
445.20117	2.9
446.21204	1.7
447.22446	4.4
448.22653	2.1
449.23373	4.8
450.24377	0.4
457.20239	0.6
458.20981	1.2
459.21918	2.5
460.22513	0.8
461.19699	2.0
461.24289	0.6
462.19592	1.3
463.21130	1.7
473.23703	0.2
475.20407	1.7
476.21887	5.5
477.22726	4.5
478.23782	0.4
485.23807	0.2
489.23026	2.1
490.23431	0.7
491.20029	0.2
493.22409	0.6
503.24686	1.4
504.24609	0.2
505.22601	0.8
507.23248	0.3
508.24692	0.3
513.23468	0.2
517.22357	0.4
519.23651	0.9
521.20996	1.2
522.26550	0.3
531.24048	0.5
533.25446	3.3
534.23096	0.3
535.27258	4.2
536.27393	0.2
545.25330	1.8
546.25568	0.2
547.26715	0.4
548.24158	0.4
563.26385	19.7
564.26776	1.7
573.25189	0.2
576.23737	0.3
591.26208	1.0
593.27411	0.5
594.26135	0.2
595.28644	0.9
605.27557	3.0
606.28247	1.7
623.28485	100.0
624.28833	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18695	0.2
54.63778	0.2
66.75436	0.2
71.03242	0.6
80.93914	0.2
89.06033	0.3
91.05495	0.3
95.08562	0.3
105.56207	0.3
128.21587	0.2
146.16968	0.2
147.11647	0.3
163.97258	0.2
184.73839	0.2
201.09016	0.4
207.09109	0.2
209.10762	0.4
223.12320	0.2
249.10255	0.3
259.15210	0.2
294.28674	0.3
317.43875	0.3
338.12665	0.2
372.14954	0.3
374.15631	0.3
375.16055	0.6
376.17065	0.3
377.17572	0.3
388.16867	0.5
389.17511	3.0
390.18338	1.4
391.19122	2.5
392.19803	0.3
393.20731	0.3
401.17947	0.4
402.18314	0.5
403.19354	2.1
404.19986	1.5
405.20752	8.5
406.21381	1.4
415.19324	0.5
416.20129	1.1
417.16483	6.6
418.17447	3.2
419.18420	3.4
429.21283	0.3
430.17731	0.4
431.18256	6.3
432.19257	7.0
433.20129	8.7
434.20700	0.9
435.21909	0.4
443.18445	0.7
444.19196	0.5
445.20291	2.7
446.20920	1.0
448.22702	0.3
449.23697	1.6
457.20062	0.3
458.20688	0.3
459.21790	1.7
460.23068	0.3
461.19342	2.7
462.20297	1.1
463.21246	1.6
464.22043	0.6
465.22995	0.2
475.21353	1.8
476.21924	4.0
477.23468	3.9
478.23505	0.7
487.20966	0.4
489.22998	1.3
490.22968	0.3
491.25058	1.5
503.24524	0.4
504.20853	0.3
505.22357	0.4
508.24182	0.4
519.23834	22.8
520.24078	1.4
521.21790	0.9
536.23163	0.3
545.25177	0.7
547.23627	1.0
548.23749	0.4
551.26465	0.6
563.26428	15.7
564.27002	0.8
579.25909	6.0
580.26538	0.5
591.25922	0.5
595.28943	0.3
605.27020	0.3
623.28491	100.0
624.28632	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	623.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06869	0.2
57.07071	2.2
59.04987	1.1
67.89306	0.2
71.08620	1.4
73.02911	0.3
75.95053	0.3
80.57367	0.2
85.10168	1.1
87.04446	0.4
89.06020	1.7
91.30968	0.2
96.21829	0.2
99.11703	0.3
133.08606	1.1
163.36919	0.2
177.11203	0.3
203.69319	0.3
223.12074	0.2
229.68706	0.3
375.16129	0.3
377.17499	0.5
389.13626	0.3
390.18527	1.0
391.19031	1.2
392.20004	0.5
404.16153	0.4
405.16595	0.3
405.20804	3.2
406.21219	0.3
415.19238	0.6
416.20047	0.5
417.20996	0.5
418.17279	0.6
419.17755	1.2
420.23044	1.0
421.24124	0.6
429.20923	2.3
430.21899	0.6
433.19812	3.4
434.20624	0.4
435.21698	0.6
443.22452	1.4
444.23730	1.3
445.23828	1.0
446.17538	1.0
447.17868	8.3
448.23004	2.6
449.23520	2.4
452.22061	0.9
457.19495	0.5
457.24973	0.4
458.24600	0.8
459.21274	2.6
460.22406	1.1
461.19223	6.6
462.20407	0.9
463.21365	1.2
471.21762	0.5
472.22647	1.2
473.23975	1.3
474.24103	0.5
475.21158	1.6
476.21960	19.8
477.22708	3.1
479.20532	1.4
485.23340	2.5
486.23923	0.6
487.25134	1.8
489.19104	0.5
490.23444	0.4
503.24811	1.4
508.24423	0.4
517.26074	1.4
519.23322	1.7
521.21747	0.7
531.23700	3.0
535.23877	0.3
545.25397	12.0
546.25702	1.2
547.26923	0.9
563.26459	8.1
564.26874	0.6
573.25232	0.5
591.26025	0.8
605.27692	2.9
623.28503	100.0
624.28784	6.6
624.38971	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55775	0.2
57.07071	1.0
59.04956	0.7
64.25729	0.2
68.72543	0.2
69.73092	1.2
71.08629	0.9
76.17107	0.2
85.10132	0.6
87.04437	0.4
89.06027	0.9
117.09119	0.3
133.08620	0.4
177.11116	0.3
218.74271	0.2
221.10751	0.2
223.12222	0.2
237.13878	0.2
239.00926	0.2
247.77411	0.2
254.36961	0.2
388.17648	0.3
389.18091	0.3
391.19308	0.6
399.15662	0.3
400.16745	0.3
401.17542	0.6
402.19482	0.3
403.19412	0.4
404.20151	0.6
405.20984	0.4
413.17630	0.7
414.18353	1.0
415.19247	1.6
416.20233	0.6
417.16446	0.3
417.21329	0.4
418.17365	0.4
419.17676	0.4
419.22284	0.8
420.18948	0.3
421.20221	0.3
427.19159	1.0
428.19995	1.0
429.20731	4.7
430.21790	1.1
431.18051	1.4
432.19156	0.6
433.19202	0.4
433.24869	1.3
434.20966	0.6
442.21487	0.7
443.22449	4.0
444.23456	2.7
445.18945	0.4
445.23877	1.2
446.21301	0.4
447.22604	1.4
449.23651	1.1
455.18985	0.3
456.19733	0.3
457.19708	1.0
457.24066	1.2
458.24994	2.9
459.21497	4.0
460.22751	1.9
461.19360	1.7
461.23758	1.7
462.20218	1.9
463.21381	0.6
470.21039	0.7
471.21719	1.3
472.22501	3.5
473.23618	2.6
474.20209	0.6
474.24860	0.2
475.20856	1.0
476.21750	1.7
477.22833	2.3
485.23300	4.8
486.24127	1.7
487.19434	0.2
487.25150	3.3
488.21805	0.4
489.22787	1.1
490.23642	0.4
502.23761	0.3
503.24521	2.3
504.24704	0.6
505.22092	0.3
513.22925	0.7
517.26147	3.5
519.24219	0.9
520.24854	0.6
521.22150	0.8
531.23853	4.3
531.31500	0.4
532.24457	0.5
535.26117	0.6
545.25397	45.0
546.25726	2.4
548.23785	0.5
563.26318	11.8
564.26721	0.8
573.24420	0.2
577.28156	0.6
591.25970	0.8
605.27539	4.4
623.28473	100.0
624.28668	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
61.41925	0.7
69.21303	6.0
83.40408	0.5
97.04298	0.7
107.97952	0.6
153.56001	0.6
235.12366	0.7
237.13869	0.9
375.16586	0.9
376.17255	0.9
377.17651	1.3
378.18805	1.7
387.16367	0.9
389.18433	1.2
390.18713	1.2
391.19199	3.8
392.19803	2.7
393.20837	1.9
399.15991	1.1
400.16891	2.1
401.17380	1.7
402.18188	0.7
403.19626	1.1
404.20584	1.8
405.20932	4.7
406.21585	4.1
407.22287	14.2
408.22668	0.7
413.17706	2.3
414.18472	2.5
415.19211	6.1
416.20288	1.2
417.21527	0.9
418.17303	0.9
419.22308	2.3
420.23117	2.4
421.23810	12.1
422.24561	3.1
427.19293	2.5
428.19897	3.8
429.20804	14.6
430.21622	3.4
431.18018	1.1
432.18805	0.9
433.23987	2.6
434.24908	0.8
442.21661	2.0
443.17633	0.6
443.22458	9.5
444.23590	4.5
445.20139	1.9
447.17548	1.2
449.23276	0.9
455.18686	1.5
456.19620	1.5
457.24768	5.6
458.24954	6.5
459.21829	7.8
460.22647	2.1
461.18781	5.4
462.20486	2.1
463.20749	1.3
470.20963	2.2
471.21741	2.2
472.22705	4.6
473.19574	0.6
473.23529	2.0
474.20129	1.2
475.21173	6.2
476.21338	3.4
477.23111	2.4
483.18161	0.9
484.18652	1.1
485.23520	10.7
486.20462	2.3
486.24106	2.8
487.20871	1.7
488.21890	2.5
489.22754	3.7
490.22852	1.0
499.21173	4.5
500.21683	2.7
502.23221	0.9
503.24341	7.6
504.24841	1.4
507.24200	0.8
513.22736	4.1
514.23578	2.2
515.24463	1.2
517.26111	7.3
519.43292	0.7
521.25043	1.0
529.26147	1.8
531.24036	1.0
535.27087	5.6
545.25397	71.6
546.25751	5.1
563.26495	0.7
564.26935	2.0
573.24896	15.6
574.24756	1.0
591.26135	1.4
605.27496	79.3
606.27759	5.1
623.28528	100.0
624.29004	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	622.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05026	1.3
57.07061	0.4
58.98065	0.3
67.05493	0.4
70.40010	0.8
71.08607	0.5
71.15546	0.3
78.18503	0.3
79.05508	0.3
81.07036	0.5
84.08127	50.3
85.10141	0.4
86.84531	0.3
89.06011	0.4
91.05457	0.4
93.07014	0.3
95.08608	0.4
102.08667	0.3
118.78357	0.3
127.11496	0.3
130.08615	100.0
131.08966	0.8
169.80882	0.3
172.21327	0.3
174.21919	0.3
184.07332	0.4
270.79208	0.3
284.48569	0.3
401.17792	0.4
405.20428	0.5
433.20349	0.3
446.20535	0.3
447.21741	0.5
448.22092	0.6
459.22064	0.4
460.17975	0.4
461.19443	0.6
475.21405	1.4
475.26843	0.3
476.21597	1.1
499.20770	0.5
517.22150	1.1
525.53467	0.3
529.21906	0.4
531.83514	0.4
534.25391	1.0
535.26636	0.4
545.21729	1.2
562.25232	2.3
563.25525	1.1
573.20294	0.5
605.24109	1.8
622.27393	8.3
623.26477	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	623.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22721	0.2
70.25474	0.3
71.18412	0.6
84.14710	0.2
151.74455	0.2
217.54778	0.2
223.12289	0.3
224.13014	0.3
237.13698	0.4
239.15358	0.4
260.54901	0.2
376.17422	0.3
377.17462	0.6
378.18488	0.6
388.18088	0.3
389.18188	0.7
390.18448	0.9
391.19122	2.1
392.19904	1.6
393.20819	0.9
399.16077	0.4
400.16791	0.5
401.17590	0.7
402.18973	0.5
403.19495	0.7
404.20270	0.7
405.20786	2.7
406.21426	2.3
407.22250	7.5
407.27438	0.5
408.22681	0.3
413.17972	0.5
414.18250	0.3
415.19122	1.7
416.20215	0.3
417.20813	0.6
419.17752	0.4
419.22943	1.3
420.23157	1.1
421.23795	8.1
422.24551	2.1
427.19354	0.5
428.20123	1.0
429.20837	3.9
430.22021	1.2
431.18393	0.8
431.23187	0.4
433.19788	0.5
433.23969	1.2
434.24997	0.4
435.25641	0.5
442.21600	0.4
443.22513	2.4
444.23141	1.8
445.20279	1.0
446.21191	0.5
447.18158	1.3
447.22836	0.5
449.23041	0.7
452.22116	0.3
455.18466	0.5
456.19293	0.4
457.24777	1.6
458.24963	2.0
459.21741	3.4
460.22845	1.6
461.18942	3.9
462.20444	1.1
463.21344	1.1
470.21481	0.4
471.18314	0.2
471.21918	0.5
472.22556	2.6
473.18558	0.5
473.23639	0.9
474.20566	0.8
475.21027	5.3
476.21661	4.3
477.22650	3.0
478.23682	0.6
484.18637	0.4
485.23529	5.3
486.20526	1.7
486.25146	0.5
487.20200	1.2
487.25766	0.3
488.22394	1.6
489.23077	2.4
493.26245	0.3
497.23264	0.4
499.21152	6.0
500.21936	1.4
502.24246	0.5
503.24432	8.8
504.24417	1.1
505.22113	0.3
507.23911	1.0
508.28217	0.8
513.22864	2.1
514.23712	1.0
515.24402	0.9
517.25696	2.2
518.23187	0.3
521.25354	1.0
529.25848	0.7
531.23950	0.8
535.27100	5.8
536.27136	0.7
545.25372	27.0
546.25842	1.1
549.25153	0.7
559.23340	0.6
562.25116	0.3
563.26532	1.2
564.26886	1.9
573.24927	8.1
574.24939	0.4
577.28229	1.4
591.25989	2.2
605.27490	13.4
606.27417	0.6
623.28503	100.0
624.28674	5.2
635.31592	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.3985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.6
55.48969	0.4
57.07069	0.5
59.04986	6.6
61.02913	0.4
64.35135	0.4
67.05486	1.5
68.42580	0.4
69.03408	0.6
69.07052	0.7
69.91982	2.3
70.06576	1.0
71.04977	1.1
72.08124	0.8
73.02901	1.3
73.06545	2.5
79.05468	0.9
81.03440	0.4
81.07048	2.1
84.08118	3.7
85.02873	1.0
85.06535	0.7
86.09715	0.5
87.04451	13.9
89.06012	100.0
90.06342	1.0
91.05450	0.9
91.07611	0.7
93.07023	1.8
95.04957	0.9
95.08582	1.9
97.02901	0.4
98.20785	0.6
103.05485	0.5
103.07559	2.3
105.07017	1.4
107.07053	3.5
107.08598	1.0
109.02857	0.8
109.10117	0.8
111.04440	0.5
111.08048	0.5
113.06026	0.5
115.07582	0.4
117.09100	1.4
117.29386	0.3
119.08528	1.2
120.08070	0.5
121.06532	0.6
121.10121	1.1
123.08003	0.5
123.11662	0.8
130.08588	2.9
131.04900	1.3
131.07013	4.1
131.08604	0.8
133.08575	64.8
134.08934	0.9
135.08023	0.4
135.11699	0.6
137.05890	0.4
137.09634	0.5
143.08505	0.5
145.10083	1.1
147.04321	0.7
147.08000	0.4
147.10132	1.4
151.11046	0.5
163.06024	0.3
163.07445	0.9
173.09613	0.8
175.09610	2.8
177.05453	0.5
177.11185	28.9
178.11565	0.5
179.12680	0.4
187.11119	0.4
191.12767	0.9
219.12286	0.9
221.13783	5.9
233.11572	0.5
237.13213	0.5
239.14847	1.3
265.16357	1.3
283.17395	2.3
309.19006	1.1
315.48154	0.5
321.24237	0.7
327.19992	1.3
353.21582	1.5
371.22485	0.9
397.24100	0.7
415.25540	0.8
459.27802	1.6
461.35605	1.0
470.32520	0.4
503.30438	1.9
547.33148	13.7
548.32977	0.9
605.37000	3.7
622.30243	0.5
622.40173	2.6
623.26709	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.3
55.01864	14.2
55.05506	10.7
57.03436	5.2
57.03664	0.7
57.07063	2.1
60.59367	1.0
61.02903	1.4
65.03932	0.9
67.01852	1.2
67.05489	38.3
69.03416	28.6
69.07052	13.9
69.45116	7.2
71.04977	10.9
71.08615	3.0
73.02901	9.2
79.05485	12.3
81.02919	1.6
81.03402	34.8
81.07040	47.0
83.04948	2.7
83.08604	10.7
84.08138	1.6
85.02886	17.5
85.06537	1.5
87.04453	0.9
91.05466	7.3
93.07028	12.8
95.04946	3.5
95.08593	34.7
97.02873	35.0
97.06536	2.0
97.10153	7.3
99.04434	60.4
99.08076	2.7
100.04742	1.1
101.02364	2.5
105.07008	6.1
107.05042	0.9
107.08557	9.3
109.02859	35.4
109.10135	15.2
111.04434	9.3
111.08061	1.1
111.11693	2.0
113.09602	1.1
117.06991	1.6
119.08549	5.5
121.10101	8.9
123.11680	7.9
127.03893	100.0
129.05441	1.8
130.08626	3.0
131.08528	2.5
133.10085	6.1
135.11655	4.8
137.13246	2.3
138.55034	0.8
145.04932	21.2
145.06024	1.8
145.10085	1.2
147.11664	4.1
149.13223	3.7
150.55991	0.8
151.11115	1.0
151.14706	1.3
153.12700	1.2
159.11612	1.0
161.13184	4.6
163.14728	2.3
173.13184	1.1
175.14766	3.1
177.16335	1.8
180.08702	1.3
187.14743	1.6
193.15730	0.9
214.08940	0.8
217.15759	1.6
243.21028	2.1
245.22592	9.8
261.22058	7.6
263.23669	20.2
271.16849	1.0
279.23148	5.2
317.24728	1.9
325.25290	1.0
329.24844	0.9
331.26331	1.9
335.25903	1.3
341.24579	1.7
343.26321	2.0
353.24640	3.0
355.37247	0.8
359.25644	4.8
361.27173	1.2
371.25735	11.4
377.27032	1.5
389.26868	6.2
407.27844	18.7
425.28909	55.0
426.29199	2.0
446.20996	1.3
562.24872	1.7
591.21851	1.6
622.27356	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	622.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.6
54.18832	0.9
54.35796	0.8
55.01858	3.2
55.05496	6.7
55.67907	0.7
56.05038	0.9
57.03413	3.5
57.07058	2.3
59.04984	2.2
60.04517	0.8
61.02899	1.2
65.03916	1.0
67.05488	14.6
69.03415	13.1
69.07056	18.4
69.71927	1.3
69.72334	3.6
70.06570	2.6
71.04977	10.5
72.04495	0.8
72.08151	1.2
73.02894	3.2
73.06539	1.1
76.02229	1.0
77.03921	1.2
79.05480	10.1
81.03399	8.2
81.07039	29.0
81.07523	1.5
82.07378	1.2
83.04977	3.2
83.08593	5.1
84.04485	1.1
84.08123	2.7
85.02890	19.8
85.06523	2.8
86.06046	0.9
86.09676	2.0
86.32042	0.8
87.00815	7.5
87.04451	2.4
88.03992	1.0
91.05462	11.4
93.07023	50.6
94.07349	1.9
95.04948	23.6
95.08583	28.8
96.08932	1.4
97.02872	7.3
97.06505	7.6
97.10142	3.2
99.04442	4.7
99.08067	1.5
105.01836	4.8
105.07008	16.8
107.04977	1.6
107.08573	22.6
109.02861	6.0
109.06505	7.1
109.10142	14.9
109.64277	1.1
111.04404	2.3
111.08064	7.7
111.11670	1.9
115.03877	1.1
115.05444	1.1
117.07011	2.8
119.08553	14.1
119.09371	1.5
120.08920	1.1
121.06502	2.2
121.10117	35.6
122.10433	1.4
123.04414	2.1
123.08018	6.4
123.11678	10.2
125.05969	1.5
125.09587	5.2
126.05494	0.8
127.03898	7.8
127.07529	0.9
127.11185	3.2
128.06171	2.0
129.05499	0.9
129.06981	1.8
130.04976	0.8
130.07703	1.4
130.08592	1.9
131.04875	0.9
131.08565	5.2
133.06477	1.8
133.10115	10.4
134.10500	1.0
135.08070	4.2
135.11659	16.0
136.07584	1.0
136.12016	1.2
137.05995	1.4
137.09604	7.2
137.13206	3.9
139.11137	12.2
143.08577	2.1
145.04903	2.2
145.10088	12.2
147.04407	1.6
147.08015	3.0
147.11644	9.3
149.09520	4.8
149.13216	2.8
150.84822	0.9
151.07434	1.2
151.11150	3.6
153.12708	7.1
155.08484	1.4
155.10756	1.1
156.09279	1.3
157.10081	5.5
159.02892	2.9
159.07961	1.0
159.11665	12.5
161.09589	3.4
161.13216	3.0
162.07600	5.2
163.07733	0.9
163.11163	7.7
163.14842	1.1
165.09100	2.4
165.12701	2.8
167.06955	1.8
167.10649	5.6
169.10110	2.6
171.11714	2.4
173.09590	1.9
173.13190	4.8
175.11160	2.6
175.14803	3.7
177.05418	0.9
177.12712	2.5
179.10600	1.3
181.12186	8.0
183.11736	1.6
183.13530	0.8
185.13205	2.0
187.11139	1.1
187.14780	3.5
189.12724	1.2
189.16382	2.9
191.14302	1.4
191.17955	1.0
192.88249	0.9
197.13231	2.0
199.13219	7.6
199.14818	10.0
201.16309	2.5
203.17943	1.0
205.15863	1.8
207.17488	0.8
211.14748	3.5
211.16612	1.2
213.16336	2.7
215.17912	2.5
217.15836	3.9
223.16917	2.2
227.17950	0.9
229.15788	1.2
231.04947	1.5
231.17316	0.8
235.16899	3.6
249.18640	1.5
257.22690	1.4
259.20541	1.6
267.20944	4.0
270.84607	0.9
275.23538	2.4
285.22079	18.9
291.23148	2.0
293.24646	1.1
294.11789	0.8
301.21414	1.0
302.21982	1.1
303.23126	37.7
304.23459	1.1
309.24115	7.4
321.24173	100.0
322.24545	2.9
339.25204	19.2
357.26254	1.9
429.26099	1.4
443.54031	1.1
551.28296	2.6
569.29761	1.0
622.30066	3.5
623.26001	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.0
55.01852	3.5
55.05494	6.0
57.03423	3.8
57.07056	2.4
59.04983	3.2
60.04501	0.9
61.02905	1.6
65.03942	1.1
66.59070	0.7
67.05502	11.7
68.69315	1.0
68.99741	1.0
69.03416	13.6
69.07058	15.6
69.88170	2.3
69.88605	2.7
70.06568	2.5
71.01358	1.0
71.04973	10.4
71.08606	1.0
72.08125	1.3
73.02903	2.8
79.05478	9.2
81.03404	9.4
81.07041	30.7
83.04966	4.6
83.08601	3.5
84.04507	1.2
84.08139	5.9
85.02888	18.8
85.06529	2.0
86.09698	1.9
87.00820	7.2
87.04469	1.0
91.03974	1.0
91.05453	9.7
93.07024	55.0
94.07352	1.5
95.04375	0.7
95.04949	27.2
95.08586	29.7
96.05260	1.0
96.08920	1.4
97.02877	8.9
97.06510	7.0
97.10163	3.1
99.04408	4.0
105.01837	4.4
105.04508	1.0
105.07007	14.1
107.04875	1.5
107.08570	21.7
107.81416	1.0
109.02853	6.5
109.06483	7.0
109.10136	16.6
111.04433	1.7
111.08064	6.4
111.11697	1.4
113.09621	1.3
116.10670	0.8
117.06984	2.7
119.05025	0.8
119.08550	13.9
120.08914	0.9
120.91382	0.8
121.06498	3.0
121.10117	31.8
122.10452	1.1
123.04399	0.9
123.08070	5.1
123.11674	12.2
124.12048	0.8
125.05974	1.6
125.09605	5.8
127.03881	10.3
127.11183	1.9
129.01787	1.0
129.06969	2.3
129.10172	0.8
130.08571	2.1
131.08528	5.3
133.10107	8.9
135.08032	2.2
135.11671	16.2
137.05989	1.6
137.09602	5.0
137.13231	4.5
139.11153	14.2
143.08546	2.9
143.10663	2.7
145.04938	3.2
145.10088	12.2
147.04378	2.0
147.08018	2.7
147.11668	8.2
149.09584	4.7
149.13214	2.7
151.11172	2.8
153.12711	7.9
157.10114	7.0
159.02890	3.7
159.10402	1.6
159.11650	13.0
161.09590	2.1
161.13275	4.4
162.07576	2.6
162.40750	0.9
163.11177	7.0
163.14798	1.0
164.75165	0.8
165.09171	1.7
165.12805	1.8
165.40132	0.9
167.10651	5.1
169.10080	2.6
171.11618	2.3
173.09596	1.1
173.13280	6.5
175.11130	1.6
175.14841	2.6
176.30811	0.8
177.05460	2.3
177.12660	1.0
177.16180	1.0
179.10521	1.0
181.12204	9.5
183.11710	1.8
185.13197	2.0
187.14783	2.8
189.16397	3.3
191.14282	1.7
193.15691	1.0
196.16988	0.9
197.13171	1.5
197.96202	0.8
199.13225	9.0
199.14839	8.9
200.13472	0.9
201.09056	1.0
201.16357	3.8
203.17796	1.4
205.15878	1.7
211.14792	3.4
213.03917	1.2
213.16315	2.6
214.17964	11.4
215.14395	0.9
215.18060	4.0
217.15839	3.4
221.15372	1.1
223.16803	1.6
225.16344	1.1
227.17792	1.1
231.05003	2.1
231.17328	1.5
233.18980	2.2
235.16875	2.3
239.16283	1.6
243.17415	1.0
249.18483	1.1
267.21066	4.3
275.23627	3.1
281.17554	1.1
285.22064	19.8
286.22513	1.0
291.23233	4.8
303.23123	42.6
304.23529	2.3
309.24170	13.4
309.27579	1.3
314.13992	1.1
321.24167	100.0
322.24512	5.3
339.25223	18.4
357.26074	2.1
373.14545	0.9
374.30646	1.4
388.19055	0.9
429.26450	1.5
486.26199	1.1
501.56714	1.0
533.26733	1.8
551.28247	2.8
571.94727	0.9
622.32910	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.6
55.01860	4.0
55.05507	5.8
57.03428	3.6
57.07058	2.2
59.04984	2.7
61.02899	2.4
62.91106	0.9
63.25930	0.9
65.03929	1.2
65.06967	1.0
67.05494	11.5
69.03417	15.8
69.07053	17.5
70.06577	4.5
71.04980	14.1
72.08131	1.1
73.02912	4.3
74.20846	0.9
79.05481	10.6
81.03403	10.8
81.07040	27.4
83.04979	5.6
83.08595	3.1
84.04497	1.8
84.08133	1.7
85.02371	1.3
85.02889	23.9
85.06536	2.5
86.09705	2.2
87.00815	5.7
87.04438	1.7
91.05463	13.4
93.07026	54.0
94.07392	1.1
95.04946	20.6
95.08590	27.3
97.02872	10.7
97.06514	6.4
97.10152	1.6
99.04440	6.1
99.08089	1.4
105.01838	6.0
105.04523	1.1
105.07012	16.5
107.04954	2.2
107.08569	21.5
108.08918	1.2
109.02858	8.9
109.06490	5.9
109.10140	16.4
111.08064	5.1
111.11702	1.8
113.09643	1.7
116.07076	1.1
117.07005	2.6
119.04903	1.9
119.08551	17.5
120.08874	1.1
121.06496	3.1
121.10123	37.9
123.08047	6.5
123.11682	11.2
125.05993	3.4
125.09621	4.7
127.03886	12.8
127.11172	3.6
129.06964	2.4
130.05016	1.5
131.04877	1.3
131.08540	6.4
133.06464	1.2
133.10121	9.7
135.08060	2.4
135.11667	17.1
136.07553	1.1
137.05937	2.6
137.09596	6.9
137.13235	4.6
139.11143	11.8
141.09103	1.5
143.08545	3.9
143.10675	1.6
145.04924	4.6
145.06410	1.0
145.10083	12.1
146.10483	1.2
147.08041	1.5
147.11653	8.5
149.09622	6.0
149.13231	3.4
150.09901	1.3
151.11154	3.7
153.09091	1.7
153.12653	6.9
155.08478	1.3
155.10706	1.2
157.10130	5.7
159.02905	4.1
159.08064	1.4
159.11670	11.5
161.09610	1.5
161.13239	4.1
162.07613	5.0
163.07494	1.1
163.11133	7.0
163.14848	1.4
165.09122	2.9
165.12732	2.9
167.10594	6.4
169.10036	1.7
171.11659	3.1
173.09625	2.3
173.13184	5.6
175.11139	2.1
175.14751	3.0
177.05431	1.5
177.12738	2.7
179.10637	1.1
179.14354	1.0
181.12193	8.9
183.11684	1.6
185.13211	2.3
187.14838	3.5
189.16272	4.8
191.10617	1.4
191.14354	1.6
197.13260	1.4
199.13246	9.3
199.14694	7.9
201.16338	2.5
205.15825	1.6
207.06464	1.2
211.14793	3.0
211.16748	1.5
213.16344	1.8
215.17915	3.5
217.15758	2.9
223.16895	1.7
227.14360	1.1
235.16872	3.3
239.16354	5.4
242.64137	1.0
249.18555	1.8
257.22800	1.3
259.20755	1.3
267.21048	3.0
275.23816	1.6
285.22046	20.2
291.23154	3.2
293.24512	1.4
303.19574	1.9
303.23132	42.5
309.24191	9.2
321.24182	100.0
322.24603	2.0
332.10406	1.0
339.25229	22.3
357.26239	2.9
370.83188	1.1
375.21161	1.8
533.26984	2.2
536.31287	1.3
551.28369	1.3
569.29199	1.7
578.32062	1.7
614.92035	1.2
622.31189	6.9
623.26050	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2694
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
53.28174	0.3
71.04792	0.6
71.05170	0.6
75.86314	0.3
81.07069	0.5
83.08577	0.4
85.00689	0.3
95.08588	0.4
127.41425	0.4
146.66235	0.3
194.03114	0.3
218.64946	0.3
221.10611	0.3
273.47562	0.3
300.08051	0.3
387.16302	0.7
389.17551	1.6
390.18411	1.2
391.19363	0.5
401.17722	0.4
402.18536	1.0
403.15045	0.3
403.19238	2.5
404.19882	2.2
405.20688	1.4
413.17694	0.4
415.19342	1.2
416.15686	0.5
416.20413	0.8
417.16772	1.4
417.21811	1.7
418.21463	1.0
419.22400	4.4
420.22818	1.2
429.21268	0.5
430.22141	0.6
431.18668	2.7
431.23044	1.3
432.19391	1.1
433.20151	0.9
443.18445	0.4
445.20432	4.3
446.20764	2.8
447.21857	5.3
448.22379	0.3
459.18130	2.6
460.18005	0.7
460.23285	0.6
461.19366	1.7
473.18692	1.5
474.20251	6.3
475.21188	11.6
476.21695	1.0
478.23691	0.3
487.21170	3.3
488.22113	0.9
489.22604	0.5
490.23828	0.4
501.22797	2.6
502.23654	0.5
505.25937	1.3
509.02701	0.3
518.23187	0.5
519.19971	0.6
529.22168	0.6
533.25470	7.4
534.24866	0.6
546.22540	0.5
561.24835	32.0
562.24982	3.2
589.24255	1.2
593.27454	0.6
621.26953	100.0
622.27167	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	621.2692
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
55.98289	0.2
64.52660	0.3
70.92973	0.6
72.76307	0.3
81.76973	0.3
105.11987	0.2
166.31790	0.3
181.32669	0.3
207.14635	0.2
221.10760	0.4
233.10640	0.3
239.21722	0.3
300.15115	0.3
354.43457	0.3
373.14481	0.7
375.16092	1.1
376.16998	0.3
386.16125	0.4
387.16367	0.5
388.16904	1.0
389.17505	2.5
390.18463	1.0
391.19141	1.0
401.17651	1.0
402.14001	0.4
402.19028	1.2
403.15668	0.4
403.19357	4.4
404.19925	2.5
405.20627	2.2
415.19470	0.5
416.16330	1.3
417.17062	3.7
417.21133	2.2
418.17667	1.0
418.21585	1.1
419.22388	7.2
420.22961	0.5
429.16693	0.4
430.17896	1.1
430.22473	0.5
431.17990	7.0
431.23340	0.9
432.19135	2.9
433.20172	2.6
443.18661	0.8
444.19522	0.9
445.20065	6.4
446.20984	6.8
447.21768	9.5
448.22549	0.5
458.21222	0.3
459.21744	2.6
460.18130	0.8
460.23364	0.4
461.19312	1.7
463.21799	0.7
473.19403	1.5
473.24210	1.1
474.20358	7.0
475.21204	8.4
477.22922	0.5
478.23734	0.3
486.20422	0.3
487.21347	3.4
488.21884	1.0
491.19910	1.2
492.24850	0.3
501.22778	2.1
503.20480	0.4
504.21582	0.4
505.25748	1.6
506.23230	0.4
518.23010	0.6
519.20325	0.5
529.22278	0.7
533.25464	18.9
546.22485	0.8
561.24890	27.6
562.25433	0.6
565.28253	0.5
589.24878	1.2
593.27600	4.8
621.26965	100.0
622.27325	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	621.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76301	0.2
58.89500	0.2
60.70251	0.3
70.12350	1.2
73.43490	0.2
92.32414	0.2
94.06510	0.3
98.20766	0.3
132.08028	0.3
141.82323	0.3
174.99585	0.3
209.10605	0.3
235.12164	0.3
310.13406	0.3
338.93268	0.3
350.08896	0.3
374.15356	0.6
375.16071	1.0
376.17407	0.4
386.16138	0.4
387.16425	0.6
388.16937	1.4
389.17563	3.6
390.18542	1.5
391.19034	0.7
400.17007	0.4
401.17920	1.3
402.13684	0.4
402.18716	1.9
403.19336	6.3
404.19901	3.8
405.20792	2.4
415.19321	0.9
416.15219	1.3
416.20139	1.0
417.16934	3.8
417.20959	3.1
418.17337	1.0
418.21469	1.4
419.22324	8.5
420.23007	0.7
429.16507	0.6
429.21390	0.6
430.17050	1.7
431.18005	8.8
431.23572	0.6
432.18863	3.1
433.20096	1.5
443.18503	0.9
444.19501	1.0
445.20135	7.8
446.20807	4.7
447.21704	9.5
448.22379	0.6
457.20288	0.4
458.21005	0.6
459.17444	1.4
459.21866	2.9
460.17950	0.5
460.22739	1.0
461.19730	1.2
473.19287	1.4
473.23886	1.1
474.20300	9.6
475.21170	15.4
476.21457	0.8
477.22565	0.6
487.21317	4.0
488.21979	1.7
489.22931	0.8
491.20868	0.8
501.22760	2.6
502.23386	0.3
505.26437	1.5
506.23355	0.4
517.22400	0.4
518.23108	0.8
519.20575	0.3
529.22223	1.0
533.25464	12.0
534.25909	0.8
546.22668	0.9
561.24890	65.0
562.25067	4.3
589.24652	1.7
593.27490	3.0
621.26965	100.0
622.27362	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	620.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99130	1.1
51.71854	1.1
53.03933	1.8
55.01856	5.7
55.05501	54.4
57.03415	3.5
59.04980	2.9
67.05498	18.4
69.03421	7.7
69.07055	8.0
71.04972	1.9
79.05485	16.9
81.07043	16.2
83.04970	4.1
83.08604	35.7
85.02880	3.7
85.06505	1.8
91.05473	3.5
92.74603	1.4
93.07024	8.3
95.08601	2.4
97.10154	89.4
98.20956	1.4
101.09618	1.7
107.08571	21.8
109.06502	1.2
109.10096	4.4
111.08048	1.5
117.06976	2.7
125.09611	83.4
126.09858	1.5
130.08578	3.2
133.10092	1.3
135.08015	8.3
143.10635	5.2
152.15453	1.2
153.09067	22.2
165.07785	1.3
171.10104	5.2
189.11179	48.4
227.12735	100.0
228.12950	1.8
243.33415	1.4
245.13834	7.9
379.20996	8.3
397.22153	59.6
415.23196	88.2
416.23419	2.4
549.30457	13.5
567.31561	39.6
585.32581	34.0
621.26599	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2698
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
57.07018	0.7
70.59092	0.3
71.53274	0.6
79.05429	0.4
80.25734	0.3
81.06955	0.5
84.08057	0.5
87.04367	3.0
88.04744	0.6
90.75275	0.4
91.05386	0.4
103.05361	1.0
105.06908	0.4
121.06364	0.4
121.10022	0.6
130.08557	0.4
131.04906	2.7
132.05190	0.5
139.11113	0.7
143.85460	0.4
163.07397	1.1
181.12119	0.4
199.13138	1.2
210.54669	0.3
298.13196	0.4
347.12997	0.4
353.07306	0.4
366.09070	0.4
375.15991	1.1
386.15811	0.6
387.15848	0.8
388.16772	1.0
389.17661	3.1
390.18295	1.6
391.19058	0.7
401.17480	1.1
402.18396	1.5
403.19284	5.7
404.20007	2.5
405.20630	2.7
406.13071	0.4
415.19330	0.6
416.15631	2.3
417.16013	3.8
417.20959	2.6
418.16971	0.5
418.21695	1.0
419.22311	8.3
429.16724	1.0
429.21622	0.5
430.17834	1.5
431.18042	7.7
431.23517	0.5
432.18762	2.4
433.20102	1.1
442.17365	0.5
443.18533	0.7
444.19312	0.6
445.20129	7.1
446.21036	5.1
447.21704	10.0
448.21970	0.5
457.20529	0.6
458.21017	0.4
459.17871	2.1
459.22284	1.3
460.18134	0.5
460.23239	0.6
461.19800	1.1
463.21039	0.4
473.19800	1.4
474.20337	8.2
475.21213	13.0
476.21957	0.6
487.21368	4.5
488.22000	1.0
491.20358	0.7
501.22852	2.6
503.20914	0.5
505.25983	1.2
518.23322	0.6
519.23260	0.4
529.22375	0.6
533.25433	10.9
546.22449	0.8
561.24878	62.2
562.25226	1.9
589.24231	1.5
593.27460	2.1
621.26959	100.0
622.27289	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	620.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.6
55.01858	15.0
55.05510	15.9
57.03436	15.0
57.07065	3.8
61.02915	4.8
65.03931	2.4
67.05499	50.6
68.64300	1.5
69.03422	75.2
69.07070	15.4
70.04169	5.8
70.04580	3.5
71.01340	3.4
71.04980	7.7
73.02906	8.3
79.05485	36.2
81.03410	36.8
81.07045	50.5
81.07525	2.5
83.04945	8.8
83.08623	7.9
84.08132	1.7
85.02896	100.0
85.06557	2.7
87.04450	2.1
89.51819	1.9
91.05473	29.4
93.07030	42.6
95.04976	9.7
95.08598	40.6
95.09173	2.9
97.02287	3.1
97.02880	39.5
97.06515	3.3
97.10166	4.4
99.04431	15.6
101.02365	7.9
103.03928	4.8
105.07019	30.3
107.04949	4.4
107.08578	26.1
108.04471	2.3
109.02857	11.2
109.06505	6.2
109.10138	24.1
111.04422	9.0
111.08075	3.4
115.03915	5.9
117.06999	19.3
119.08567	26.0
121.06492	3.9
121.10132	23.2
123.04436	3.5
123.08074	2.9
123.11723	10.3
125.09630	2.7
127.02966	3.5
127.03902	67.8
129.05521	3.8
129.06976	9.0
129.49612	1.7
130.08646	2.8
131.08549	25.9
133.06487	5.3
133.10098	18.0
135.08052	3.9
135.11685	16.8
137.05965	2.0
137.09587	3.3
137.13225	3.7
139.03780	1.8
141.06963	3.8
143.08559	12.1
145.04947	33.9
145.06274	2.7
145.06474	2.4
145.10097	21.6
147.08002	4.1
147.09929	1.7
147.11662	17.6
149.02333	1.6
149.09631	2.8
149.13278	9.7
151.07559	2.7
151.11244	2.1
153.09065	1.9
155.08546	5.5
157.06499	2.1
157.10095	9.1
159.08031	3.2
159.11678	18.4
161.09689	2.7
161.13219	10.3
163.06042	9.8
163.07297	2.0
163.11176	2.7
163.14781	3.2
165.09109	4.3
167.08543	3.5
168.05931	1.9
169.10120	7.3
171.08026	2.8
171.11676	6.9
173.09602	5.6
173.13258	13.8
175.11238	4.2
175.14835	3.5
177.16348	1.7
179.08539	2.5
180.08629	17.3
183.11673	5.5
185.09590	2.5
185.13242	7.6
187.11163	3.4
187.14821	6.8
189.12723	2.3
193.80327	1.8
195.11627	2.2
197.09625	1.9
197.13231	4.8
199.06300	4.5
199.11189	4.3
199.14867	3.8
201.12708	3.0
203.10741	1.8
203.14262	2.2
207.11873	1.9
207.13756	2.8
209.13254	3.2
211.14838	2.0
213.12740	1.7
213.16373	1.5
215.14478	1.9
221.13391	2.5
221.15311	2.5
223.14783	1.8
225.16301	1.7
227.14320	2.4
241.19479	2.6
243.21001	3.7
247.13275	1.8
253.19633	1.7
257.15359	1.7
259.20639	8.7
261.22134	18.2
271.20593	2.0
273.22110	4.8
277.14441	4.4
277.21472	8.1
279.23206	5.9
285.22131	1.9
287.16833	1.8
287.20090	2.1
289.18213	1.6
289.21698	4.7
291.23151	7.2
297.22015	3.0
301.21588	7.2
303.23151	16.9
313.21756	3.3
315.23175	5.5
319.22653	3.8
321.24527	1.8
323.23605	4.3
327.23178	6.8
331.22806	3.7
333.21851	2.8
341.24634	10.9
345.24249	5.1
351.23172	13.5
357.24118	1.7
359.25821	3.4
369.24210	44.1
377.26993	2.4
387.20181	3.6
387.25238	62.9
388.25708	2.0
394.29480	7.7
405.26312	58.3
406.26575	2.9
423.27365	23.0
561.24713	2.6
621.26660	4.3
628.31488	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	620.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	6.8
55.01863	18.8
55.05500	8.4
57.03430	6.7
57.07056	2.4
61.02909	2.2
65.03924	2.1
67.01852	1.4
67.05492	45.9
69.03416	35.8
69.07054	9.0
69.44032	0.9
69.44372	6.4
71.01327	1.2
71.04981	13.1
73.02901	9.1
79.05014	0.9
79.05479	26.0
81.03400	41.9
81.07040	47.5
83.01312	0.7
83.04957	3.0
83.08596	4.2
84.08099	0.8
85.02887	19.0
85.06526	1.6
87.04456	1.5
91.03955	0.9
91.05463	15.7
93.07025	32.7
95.04971	3.7
95.08585	37.0
95.46295	0.7
97.02872	38.5
97.06523	1.7
97.10143	2.9
99.04435	65.8
101.02356	3.9
105.07009	13.7
107.04935	0.9
107.07858	1.3
107.08574	20.1
107.09296	1.4
109.02859	39.3
109.06503	1.6
109.10134	23.8
110.10461	0.9
111.04423	10.8
111.08082	1.8
111.11769	0.9
115.03922	1.5
117.06995	4.9
119.08567	10.7
121.10123	17.6
123.08051	1.2
123.11674	12.0
125.02396	0.9
127.03891	100.0
129.05460	1.9
129.06935	1.2
131.08539	10.5
133.10112	8.8
135.11673	13.8
137.09621	1.0
137.13197	3.8
143.08519	1.1
145.03772	0.9
145.04930	17.5
145.10106	8.8
147.11668	7.5
149.13226	8.4
151.11192	0.8
157.10014	1.1
159.11665	7.9
161.13225	6.0
163.11151	1.3
163.14749	4.4
165.12733	1.6
169.09987	1.1
171.11647	1.3
171.86926	0.8
173.13216	6.0
175.14806	1.9
177.16347	1.1
179.14267	1.0
180.08644	1.0
183.11594	0.8
185.13188	1.6
187.14789	3.8
191.14247	1.3
199.14764	1.3
201.16292	1.1
209.13284	1.0
215.17986	0.9
223.16858	0.8
239.14233	0.8
241.19521	2.5
243.21010	6.2
259.20538	6.0
261.22101	22.1
273.22089	0.9
277.21579	10.7
279.23138	7.0
285.22116	0.9
303.23059	1.8
315.23254	1.7
323.18411	0.8
327.23096	1.2
329.24673	0.8
335.18723	0.9
339.23065	1.7
341.24698	2.8
351.23138	2.8
357.24060	4.4
359.25769	1.1
367.01465	0.8
369.24185	7.2
381.10986	0.7
387.25195	7.6
394.29465	1.0
405.26312	11.0
423.27304	72.2
424.27768	3.3
621.27264	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10893	0.8
53.03931	1.7
55.01869	0.9
55.05502	6.0
55.90539	0.8
57.07049	2.3
59.04979	2.6
65.03934	1.3
67.05492	10.1
69.03412	5.5
69.07046	3.1
69.07704	0.7
71.08632	1.1
79.05486	9.6
81.03401	5.1
81.07040	13.6
83.04961	1.6
83.08600	3.3
85.02879	1.9
85.06533	1.4
87.04452	4.0
89.06024	1.7
91.05467	10.1
93.07027	18.6
95.04949	4.7
95.08588	9.0
97.02866	2.5
97.06494	1.8
99.04446	1.1
105.07009	14.0
106.07390	0.9
107.08577	27.5
109.06499	3.0
109.10130	5.8
111.04411	2.7
111.08041	1.4
115.05471	0.8
117.06985	3.2
119.08561	9.2
121.06475	3.9
121.10133	5.3
123.04401	1.5
123.08060	1.7
123.11683	3.5
125.09666	1.2
127.03869	2.0
129.06998	2.2
130.08612	0.9
131.08553	4.8
133.06529	1.1
133.08612	1.5
133.09062	1.4
133.10106	27.1
135.08008	1.4
135.11670	24.6
137.05966	1.1
137.09576	1.9
143.08498	3.6
145.10114	5.3
147.11687	2.7
149.13260	2.6
151.07545	1.2
151.11140	2.6
155.08588	1.0
157.10086	3.2
159.11681	3.6
161.09583	12.3
161.13255	2.9
163.14732	1.7
169.10104	1.1
171.07990	1.0
171.11664	1.9
173.09526	0.9
173.13258	2.2
175.14816	2.0
177.12779	1.3
179.10631	37.3
183.00131	0.8
183.11565	1.2
184.96976	0.8
185.13127	1.2
194.10332	1.1
197.11699	100.0
198.12032	1.4
199.14801	1.2
207.13731	0.9
221.15334	1.7
225.14752	0.9
238.14297	2.2
241.19409	1.4
243.21059	1.1
261.22131	5.5
277.21521	1.2
303.23257	2.5
315.23068	1.7
341.24762	2.0
351.23227	2.2
369.24213	7.7
382.83768	0.8
387.25204	8.5
405.26169	6.3
423.27347	1.8
465.55573	0.8
521.79578	0.9
539.36713	1.8
619.34155	1.1
619.44189	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	619.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.9
55.01864	1.1
55.05485	1.5
57.03424	0.6
67.05476	1.8
68.04988	0.7
69.03416	2.3
69.07059	3.9
70.06587	0.8
71.04974	2.3
71.55346	1.0
72.04470	0.7
72.13580	0.6
73.02905	0.9
75.04429	0.6
79.05480	2.6
81.03391	1.4
81.07032	2.7
83.04965	0.9
84.04478	0.9
84.08130	1.5
85.02876	2.6
85.06528	0.7
86.09682	1.5
87.04459	0.7
90.72633	0.6
91.05453	1.8
93.07043	3.3
94.06555	4.6
95.04925	1.9
95.08569	2.3
97.02843	1.1
97.06493	1.4
99.04446	0.9
105.07009	6.2
106.06548	2.0
107.04904	1.0
107.08580	1.6
108.08071	1.4
109.02872	1.4
109.06520	1.1
109.10115	2.2
110.06039	0.7
111.08060	0.8
112.07583	1.0
119.08548	1.9
120.08073	2.4
121.06513	0.8
121.10098	0.9
122.06006	14.7
123.04454	1.0
124.07567	1.7
125.05987	1.0
126.05482	0.8
127.03886	1.1
129.05440	0.8
129.10204	1.7
130.06483	0.9
131.04890	1.3
131.08586	1.3
132.08057	0.9
133.08972	0.7
133.10057	3.8
134.06007	2.5
135.11661	0.9
136.07550	36.7
137.05977	1.0
139.22816	0.7
140.07043	22.3
143.08571	0.7
145.10101	1.4
146.05980	8.3
147.04327	0.7
147.11703	1.1
148.07545	20.0
149.09566	1.0
150.09113	3.9
151.11081	0.7
152.06970	0.9
154.04926	0.9
154.08620	0.9
158.05980	1.9
159.11713	0.8
161.09602	3.2
162.05585	0.8
162.07535	2.9
163.11113	0.9
164.07039	64.5
166.08603	20.7
167.07126	0.7
172.03894	1.1
173.09586	0.8
174.05495	3.2
174.09097	1.5
176.07037	10.2
178.04967	4.2
179.05333	2.2
185.10744	0.9
187.11122	0.8
188.11565	0.8
189.09140	1.1
190.04906	6.6
191.05630	0.7
191.10602	0.6
192.06566	0.9
196.09990	0.7
205.12241	0.8
206.04453	7.2
207.04817	3.8
207.10365	0.7
209.10768	1.2
210.11443	1.2
211.12241	2.2
212.12981	1.0
218.08118	3.1
222.11383	0.9
223.12285	4.4
224.13000	3.5
225.10245	1.7
225.13722	1.7
227.11714	1.5
234.11719	1.0
235.12141	1.6
236.13164	0.7
237.10107	4.2
237.13855	2.6
238.10928	8.6
239.11739	18.0
239.15501	1.0
240.12447	0.8
247.12312	1.0
249.10181	1.9
250.11069	2.6
251.11708	12.0
252.12505	4.8
253.13309	8.4
255.11186	1.5
257.12964	0.7
261.12363	2.3
263.11761	3.7
264.08694	1.4
264.12646	1.5
265.09735	2.0
265.13324	16.5
266.10419	0.7
266.14059	1.9
267.11215	2.7
267.14597	1.1
269.12817	2.7
270.13568	1.3
271.14340	9.0
275.11649	0.8
277.09631	2.9
277.13327	1.7
278.10489	2.5
279.11224	49.5
280.11978	4.2
281.13049	2.3
283.10822	2.0
283.14441	5.2
284.15002	1.0
285.12180	1.4
287.13858	24.4
289.15463	7.6
291.11285	2.1
293.12811	7.8
294.13513	1.1
295.10718	1.9
295.14392	2.2
296.11658	2.8
297.12274	29.0
297.15671	1.5
298.13043	6.3
299.13965	2.2
309.12274	14.3
309.15732	1.3
310.13049	7.9
311.13840	66.9
312.14575	10.2
313.11771	5.0
313.15329	35.9
314.16071	2.0
319.10672	1.7
321.12222	5.0
324.10983	1.5
325.11740	2.3
331.12787	3.6
337.11746	25.3
338.12503	9.7
339.13330	35.4
340.13968	1.4
341.14944	1.4
351.14178	1.4
357.14435	4.8
385.13968	1.2
392.19577	2.1
400.16751	1.7
401.17404	0.8
418.17590	0.8
420.19003	0.8
434.20663	4.4
435.21417	0.9
436.22229	1.5
437.19656	0.8
438.20380	4.3
442.17487	2.2
450.20630	1.0
452.21732	100.0
453.22366	3.9
460.18567	32.4
461.19119	1.2
462.20236	1.4
464.18115	1.0
465.19028	1.5
466.19861	1.1
478.19659	25.0
479.20346	1.9
480.21375	6.9
496.20776	2.1
497.21292	0.8
557.27594	1.0
575.28455	14.2
583.25415	1.0
601.26434	44.3
602.26770	0.9
619.28278	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	619.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.3
55.01860	1.8
55.05495	0.8
56.05009	0.5
57.03402	1.3
60.86132	0.4
61.02909	1.1
65.03899	0.5
67.05495	0.8
68.99772	0.6
69.03419	6.1
69.07041	1.0
70.06573	2.9
71.04978	1.8
72.08138	1.0
73.02895	1.4
77.51374	0.4
78.04689	2.1
79.05045	0.7
79.05475	6.2
81.03397	4.9
81.07022	2.6
82.06561	1.2
83.04943	0.9
84.04474	0.7
84.08124	2.0
85.02892	10.6
86.06046	2.6
86.09695	2.1
87.00809	2.6
87.04440	1.0
88.02184	0.5
91.05454	4.4
93.03354	0.5
93.07018	2.3
95.04958	2.8
95.08564	1.1
97.02871	3.6
97.06499	0.6
99.04438	3.0
103.03915	1.0
103.05444	2.4
104.06228	0.6
105.01855	2.0
105.03421	0.5
105.04476	0.5
105.07008	9.5
106.04137	1.2
107.04937	10.2
107.08557	1.1
109.02855	5.0
109.06493	0.7
111.04359	0.4
115.05417	2.5
116.06239	0.8
117.07023	1.9
118.04192	0.9
119.04931	0.9
119.08549	3.2
120.08059	0.5
121.06492	2.1
121.10138	1.4
122.03573	0.6
123.04399	5.1
123.11642	0.5
124.03886	0.6
124.05209	2.6
125.05948	0.9
127.03893	6.8
128.06232	2.2
128.07053	0.7
129.01852	0.8
129.06989	6.5
129.10165	0.4
130.04105	0.7
130.08598	1.2
131.04887	3.8
131.08542	1.4
132.05702	2.1
133.06456	5.3
133.10106	3.9
135.08003	0.5
135.11707	0.5
136.07571	0.7
137.02301	0.5
137.05969	2.8
137.09592	0.4
139.07501	0.4
141.01666	0.4
141.06923	1.0
143.04913	0.7
143.08527	0.9
144.05649	1.4
145.04910	1.8
145.06448	1.7
145.09912	1.2
146.08159	0.6
147.02817	0.3
147.04385	1.4
147.08005	2.9
147.11581	0.5
148.05132	0.4
149.05949	1.0
149.09628	0.5
151.03893	1.5
151.07491	1.2
151.11191	0.4
152.04648	2.1
153.05444	2.5
155.04872	1.0
155.07031	0.9
155.08299	0.5
156.05653	1.0
157.06450	0.9
158.11713	0.7
159.02898	1.8
159.04111	0.4
159.08026	6.3
159.11601	0.5
160.05211	1.8
161.05954	8.1
161.09578	3.8
163.03909	0.5
163.07547	1.0
163.11150	1.2
165.06921	0.5
167.07004	100.0
168.07367	1.3
169.06468	0.9
169.10034	0.4
171.07962	1.4
172.05118	1.4
173.05959	1.0
173.09526	0.7
175.07518	23.5
176.04617	1.1
176.07991	0.4
177.05490	2.3
177.09076	0.4
178.07755	0.8
179.06995	1.3
179.10582	1.1
181.06491	0.6
181.08540	0.9
184.05162	1.1
185.05951	0.8
185.96884	0.4
187.07506	18.6
188.07881	0.5
189.07033	1.1
189.09065	3.5
190.07765	1.3
191.06998	10.8
191.08574	0.8
193.08578	1.9
193.10001	0.8
195.08009	0.5
199.07512	8.6
201.09019	0.7
202.07695	1.5
203.08546	2.7
205.06447	1.1
205.08392	0.5
205.10228	0.6
206.07195	2.0
207.06429	0.6
207.08174	0.9
207.10118	0.4
209.08006	3.4
211.07489	0.5
215.08681	1.9
215.10333	0.5
217.06592	0.9
217.08533	2.1
218.07208	2.6
219.08051	2.7
220.08755	1.1
221.09622	3.0
228.15997	0.5
229.06416	0.7
229.08495	0.9
231.04907	0.8
231.08015	2.7
232.08725	1.2
233.09572	4.2
234.06654	2.2
235.07510	3.3
243.08012	0.9
245.05893	0.6
246.06738	2.7
247.07417	2.0
248.08324	1.0
249.09073	5.1
250.06433	0.4
250.09769	1.3
251.07011	1.2
257.05740	0.9
258.06769	0.4
259.07477	1.6
260.08231	2.0
261.09064	6.1
262.06326	0.6
262.09705	0.8
263.06970	2.8
263.10553	0.4
264.07913	0.5
265.08752	0.5
265.12378	0.4
266.09253	1.1
267.10104	0.6
271.07626	0.7
273.05475	0.4
273.08737	0.6
274.06244	0.8
275.06931	1.0
276.07910	0.9
277.08545	4.1
278.09222	2.5
279.06421	1.1
279.10065	1.0
281.11554	7.2
281.13925	0.7
288.07678	0.7
289.08542	6.3
289.11575	0.7
290.09103	1.9
291.06668	0.8
291.10089	1.5
293.08493	0.6
293.11591	2.9
294.08771	1.4
295.09619	1.4
303.10031	0.5
305.08118	0.5
305.11493	0.4
306.08798	2.5
307.09613	1.7
308.10547	0.5
309.11172	7.4
310.11789	1.3
311.09021	0.6
319.09241	0.4
320.16946	0.5
321.11166	10.4
322.11868	1.4
323.09085	1.1
323.25461	0.6
325.10815	0.6
325.14468	1.0
326.11462	2.6
338.11426	1.0
339.12384	0.6
341.13766	37.1
342.13919	1.1
351.11893	0.4
351.14658	0.8
353.13760	26.4
354.14108	1.1
355.16251	0.4
363.12411	0.5
365.13702	0.9
371.14960	1.8
383.14987	1.0
395.14954	0.8
415.67816	0.4
431.14880	0.7
437.24167	0.4
437.61801	0.5
439.28134	0.8
449.15710	0.5
457.32367	1.3
619.26117	0.7
619.34973	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	618.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60360	3.6
53.03931	6.1
55.01862	6.3
55.05500	57.7
57.03425	3.8
57.07067	20.6
57.20443	3.4
59.04990	6.6
65.03901	4.9
67.05495	33.0
68.11119	4.4
69.03406	12.7
69.07045	28.8
69.90348	3.8
70.06567	7.7
71.04973	11.2
71.08628	6.8
71.55298	8.3
72.26527	3.9
74.68642	3.3
79.05478	37.0
81.07039	59.1
83.04946	21.5
83.08603	82.6
84.08134	4.2
85.06531	10.3
85.10165	3.9
87.04456	12.0
89.06004	5.9
89.13042	3.3
91.05465	60.7
93.07027	76.2
95.04962	29.0
95.08587	47.2
97.06516	31.7
99.04437	5.6
102.40663	3.9
105.07009	100.0
107.04926	4.6
107.08578	84.7
109.06509	21.4
109.10126	34.5
111.08028	6.3
113.09620	14.4
115.05428	10.6
117.06994	19.8
119.08559	94.9
121.06493	11.2
121.10109	64.8
121.10913	7.4
122.10422	5.2
123.08054	30.7
123.11678	8.8
125.09614	24.1
128.06157	18.9
129.06996	23.5
130.07739	8.6
130.08617	12.5
131.08548	55.9
133.06526	4.9
133.10109	55.1
134.10901	5.0
135.08034	15.3
135.11664	12.5
136.06143	24.7
137.09583	9.7
139.11166	16.3
141.06976	11.1
142.07751	25.9
143.08521	51.2
144.09279	12.6
145.06454	7.9
145.10101	89.9
146.10698	4.5
147.08002	15.2
147.11664	23.2
149.09561	10.9
149.13356	4.1
151.07507	4.7
151.11110	4.1
153.06877	4.8
153.09245	4.0
155.08551	23.7
155.10600	23.2
156.09341	24.6
157.10104	73.9
158.10878	15.7
159.08051	15.2
159.11653	46.4
160.08810	16.0
161.09639	20.1
161.13246	11.6
163.11211	11.2
165.06990	6.0
165.09090	6.7
166.07768	5.3
167.08530	11.5
167.10690	19.4
168.09276	10.9
169.10059	41.2
169.12230	5.4
170.10860	12.3
171.10239	8.5
171.11632	47.9
172.12444	7.1
173.09596	10.9
173.13199	22.3
175.11205	8.9
175.14799	8.4
179.08540	15.9
179.14331	7.2
180.09282	4.4
181.10193	20.8
181.12085	33.7
182.10913	7.1
183.11674	31.6
185.09555	4.7
185.13197	19.6
186.13977	9.2
187.11203	5.0
187.14784	7.0
189.12686	4.5
191.14297	13.7
193.10081	16.6
194.10901	12.2
195.11685	25.8
195.13541	5.7
196.12379	13.7
197.13210	43.2
198.13763	4.6
199.11121	7.6
199.14792	13.5
201.16373	4.0
203.14323	8.3
206.10963	6.5
207.11665	16.3
207.13675	8.6
208.12479	9.4
208.14363	8.9
209.13170	33.4
211.14793	24.0
212.15375	5.1
213.12756	5.7
213.16386	10.0
215.14226	14.5
221.13164	14.8
221.15379	29.5
223.14821	17.3
225.12709	7.2
225.14616	28.5
227.14223	7.7
229.15775	4.8
233.13200	8.7
233.15308	45.1
234.13913	6.6
234.16100	10.6
235.14789	12.0
237.16331	10.6
239.14282	6.1
245.13153	6.3
247.14740	5.5
247.17001	4.6
249.16391	9.6
251.17863	11.6
253.15768	4.9
255.17407	22.0
259.17059	5.5
261.16394	12.5
263.17999	7.0
267.17404	5.1
267.21082	3.9
270.19662	10.3
273.18430	7.9
285.22049	5.3
286.19415	6.3
287.20197	6.1
298.19141	4.6
299.20090	9.2
348.24512	4.0
352.24051	6.9
365.24741	4.7
367.26129	9.4
383.25757	11.3
404.34354	4.5
414.29102	5.1
457.31165	5.7
459.56232	4.4
538.36493	4.3
558.61664	4.4
582.39990	7.3
600.41095	12.3
618.42426	39.7
619.39746	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	618.4266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	6.5
55.01841	5.1
55.05498	49.1
57.07050	12.7
59.04968	5.2
60.30587	2.9
63.55087	3.2
65.03909	8.4
67.05491	30.3
69.03429	15.6
69.07057	20.2
69.82829	20.1
70.06564	3.3
71.04972	10.9
79.05473	35.4
80.06239	4.2
81.07032	48.3
83.04954	21.1
83.08597	69.7
85.02872	4.8
85.06506	10.7
87.04449	10.4
89.06030	4.1
91.05459	59.1
93.07018	66.7
94.49467	3.2
95.04942	40.7
95.08572	43.3
97.06507	30.6
99.04441	5.0
103.05442	5.7
105.07001	100.0
107.04929	8.0
107.08566	74.0
109.06475	19.5
109.10132	35.5
111.08076	6.9
113.09605	10.0
115.05403	5.3
117.06966	28.0
119.08549	93.9
120.09317	4.6
121.06470	9.8
121.10107	54.8
123.08027	19.8
123.11686	6.8
125.09605	22.8
128.06190	16.1
129.06981	24.1
130.07748	13.2
130.08611	5.7
131.08528	52.0
132.09325	5.4
133.06430	5.3
133.10106	57.2
134.10828	4.5
135.08014	14.1
135.11649	14.5
136.06174	5.0
136.39784	3.0
137.09595	5.5
139.11119	15.9
141.06937	12.6
142.07748	25.5
143.08519	48.5
144.09360	15.7
145.06447	8.4
145.10085	87.9
147.07988	12.9
147.11655	23.0
149.09560	18.6
149.13220	4.7
151.11211	5.9
155.05170	3.1
155.08548	21.6
155.10631	14.9
156.09297	22.6
157.10089	66.9
158.10832	9.5
159.07988	20.9
159.11661	38.9
160.08803	14.5
161.09610	17.4
161.13202	6.1
163.11153	11.7
165.06927	9.3
165.09085	3.4
167.08510	8.8
167.10660	17.5
168.09232	6.1
169.10098	37.4
170.10880	10.9
171.08081	4.1
171.10167	7.2
171.11618	35.7
172.12396	7.0
173.09605	11.1
173.13159	26.0
175.11168	11.3
175.14818	11.7
179.08533	13.6
179.14233	4.6
180.09244	7.3
181.08698	3.6
181.10095	18.0
181.12187	32.5
182.10873	12.3
183.11691	30.0
184.12389	5.2
185.09573	7.3
185.13168	19.5
186.14030	7.2
187.11136	7.0
187.14749	11.4
189.12701	9.2
191.14267	14.3
193.10098	15.1
194.10849	8.8
195.11664	30.9
196.12386	13.4
197.13208	43.4
198.13953	4.4
199.11142	11.6
199.14780	14.6
200.15405	3.8
201.12700	3.9
201.16385	5.4
201.50305	3.1
203.14247	5.7
205.10033	6.0
206.10924	7.8
207.11649	15.9
207.13589	6.1
208.12407	6.2
209.13226	20.0
209.15054	5.0
210.13927	4.8
211.11174	5.3
211.14816	26.5
213.12691	9.5
213.16277	5.5
215.14294	24.2
218.16585	6.3
219.11621	7.0
220.12434	7.4
221.13205	14.8
221.15331	25.9
222.13950	5.9
223.14729	17.3
224.15683	3.5
225.12697	7.1
225.14790	12.3
225.16585	7.2
227.14200	6.5
227.17894	3.9
231.11569	5.0
233.13136	7.5
233.15248	40.7
234.16193	4.4
235.14775	10.6
237.16377	10.3
239.14227	4.3
241.15794	7.5
245.13210	4.2
247.14636	5.2
247.16942	5.7
249.16313	12.2
251.17920	4.8
253.15860	5.4
255.17361	40.2
259.17096	4.2
261.16296	8.5
263.17972	9.3
265.19418	7.4
267.17313	4.7
269.18878	4.1
270.19760	12.7
271.20541	7.5
273.16016	4.7
273.18588	7.1
279.17572	4.5
281.18872	7.5
282.19547	5.8
283.20392	6.9
285.18564	7.9
286.19107	4.8
287.20035	4.4
289.19434	4.7
295.20535	5.3
297.18475	4.7
299.20004	6.5
305.18561	3.3
311.20035	4.1
331.24161	4.7
337.25186	4.2
347.23727	5.8
365.24585	10.0
367.26349	7.0
383.25754	14.9
393.27814	5.8
396.27527	4.2
401.28607	3.7
508.35916	3.6
558.21753	4.0
600.41211	8.9
618.24878	4.5
618.43085	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	2.0
53.03927	6.0
55.01835	5.6
55.05497	44.4
57.03419	1.6
57.07071	15.7
57.66013	1.8
58.10981	1.7
59.04976	5.3
65.03928	4.1
67.05491	32.0
69.03410	15.8
69.07050	22.6
69.54431	11.8
69.54861	3.8
69.82932	1.7
70.07327	1.8
71.04992	8.3
71.08630	8.6
72.08933	1.9
73.06522	2.1
77.03906	2.8
79.05475	34.0
80.05810	2.0
80.06252	1.8
81.07037	56.4
83.04963	23.0
83.08600	71.1
84.08921	1.9
85.02876	2.0
85.06529	13.3
85.10151	7.2
86.10467	2.1
87.04443	7.8
89.06011	20.7
90.06342	4.4
90.91317	1.8
91.05458	62.6
91.06348	2.7
93.07019	68.1
94.07359	2.2
95.04948	36.7
95.08579	35.2
97.06508	27.4
97.10127	2.2
99.04395	4.1
99.08083	3.3
103.05463	4.3
105.07007	100.0
107.04931	8.4
107.08569	80.2
108.09441	1.9
109.06490	22.6
109.10130	33.8
111.04401	2.0
111.08077	8.3
111.71742	2.2
113.09624	14.1
115.05419	9.2
116.06275	2.1
117.06996	25.4
117.09063	1.9
119.08554	93.6
120.09374	2.6
121.06496	11.3
121.10117	61.0
123.08043	25.3
123.11685	8.9
125.05954	2.3
125.09607	22.7
126.74765	1.9
128.06175	14.8
129.06978	24.6
130.07741	10.2
130.08615	6.5
131.08530	55.3
132.09300	6.3
133.06509	4.1
133.08614	11.3
133.10098	47.2
134.08905	5.3
135.08040	15.7
135.11656	10.3
136.08688	1.9
137.09572	6.6
139.11157	18.4
141.06943	11.6
141.09070	2.0
142.07745	29.9
143.08543	52.2
144.09314	15.1
145.06471	8.7
145.10092	81.1
146.07224	2.6
146.10635	2.8
147.08008	16.9
147.11650	26.8
148.12221	2.0
149.09589	18.4
149.13214	4.9
150.04599	2.0
151.07504	4.1
151.11115	2.0
153.06998	5.2
153.09074	3.4
154.07712	4.1
155.08545	23.8
155.10577	19.5
156.09297	24.9
157.10098	70.0
158.10860	9.6
159.08025	20.5
159.11667	38.4
160.08784	16.1
160.12097	1.7
161.09605	18.1
161.13226	7.8
162.10321	2.0
163.11159	10.9
163.14851	2.4
164.11810	2.2
165.06981	7.3
165.09081	2.8
165.12685	3.9
166.07683	4.3
167.08568	14.1
167.10646	22.8
167.14270	1.9
168.09277	6.2
168.11316	2.5
169.10085	36.1
169.12230	3.4
170.10863	14.0
171.08131	3.7
171.10127	5.1
171.11630	43.1
172.08772	3.2
172.12222	4.2
173.09596	10.9
173.13213	23.3
174.10278	3.0
174.13861	2.8
175.11148	13.5
175.14821	6.4
177.09088	2.2
177.11197	4.3
177.12639	4.3
178.11531	2.5
179.08530	13.2
179.10558	2.5
179.14305	7.3
180.09212	8.7
181.10100	21.5
181.12190	30.0
182.10889	18.3
183.11659	35.3
183.13313	3.3
184.12395	7.9
185.09587	4.4
185.13231	25.4
186.10307	2.7
186.14014	4.1
187.11124	6.7
187.14716	11.1
189.12677	9.1
190.13486	5.2
191.14322	9.1
192.09279	4.6
193.10101	16.0
193.11732	2.9
194.10855	13.3
195.11664	31.1
195.13576	2.5
196.12422	13.3
197.09593	4.5
197.13194	42.8
198.13838	5.0
199.11105	8.8
199.14764	19.1
200.15350	2.7
201.12679	6.9
201.16377	6.4
202.13490	2.3
203.10551	2.5
203.14311	6.5
205.10110	4.3
205.16019	2.0
206.10847	6.8
207.11620	19.1
207.13785	10.2
208.12407	11.1
208.14548	5.7
209.13257	27.5
209.15326	4.7
210.13925	7.4
211.11157	5.2
211.14781	24.4
212.15463	3.7
213.12694	9.6
213.16301	8.6
215.14278	22.9
217.10126	3.2
217.15901	4.1
218.10764	4.2
218.16533	3.8
219.11652	5.4
219.13661	2.2
220.12418	8.2
221.13203	16.8
221.15347	28.2
222.13870	5.5
222.15805	2.6
223.14763	17.0
224.15492	4.5
225.12651	6.6
225.14572	25.6
225.16183	4.1
227.14252	5.6
230.10919	2.3
230.16234	1.9
231.11629	6.7
231.13763	2.6
231.17415	3.9
232.12425	3.1
232.14511	2.1
233.13142	8.8
233.15271	48.8
234.13925	3.8
234.16008	6.2
235.14821	13.6
235.16832	2.9
236.15453	3.5
237.12715	3.6
237.16542	12.3
238.17197	2.1
239.14241	4.6
239.17894	5.6
241.15721	6.2
243.11476	2.5
243.17438	2.9
244.12308	2.5
245.13152	5.6
245.15346	2.9
246.13866	3.9
246.16081	4.9
247.14694	9.3
247.16899	5.5
248.15678	1.9
249.16212	12.0
250.16966	2.8
251.17986	5.7
253.15855	4.9
253.19527	3.3
254.76233	1.9
255.17351	32.9
256.17807	2.2
257.13107	2.5
258.13947	2.2
259.14713	6.6
260.15628	3.8
261.16434	10.4
262.16916	2.8
263.17889	7.0
265.15894	2.9
265.19397	7.5
266.19864	1.9
267.17322	5.1
268.18100	5.2
269.18930	6.3
270.19781	12.8
271.14618	2.9
271.17435	2.2
271.20447	8.8
273.16010	3.9
273.18442	7.1
274.16879	3.0
275.17856	7.3
277.19449	3.5
279.17178	3.7
281.18961	7.4
282.19608	5.2
283.20535	5.8
284.21350	4.4
285.18466	6.0
286.19186	7.1
287.20114	4.6
289.19467	5.9
293.18854	3.2
294.19678	3.2
295.20502	6.2
297.18668	2.1
297.21924	3.8
298.19168	2.7
299.20139	8.6
301.19186	3.5
307.20432	3.1
309.22015	4.2
311.20044	4.9
315.20877	2.8
317.22437	2.0
322.22681	3.7
331.20599	2.1
331.24100	4.3
333.22137	3.0
334.22650	3.7
335.23660	4.2
337.25351	9.3
345.22250	2.4
347.23721	4.3
349.21436	2.2
349.25229	7.5
351.23041	3.2
358.26260	2.1
359.23550	3.4
360.24265	5.7
365.24823	12.4
367.26352	11.7
377.24585	2.0
383.25659	21.5
399.26758	4.8
401.28250	2.4
414.28970	7.5
429.31598	4.4
432.29825	2.2
457.30832	6.1
490.34357	3.1
567.37793	3.2
582.40332	6.6
585.39410	2.6
600.41272	8.0
601.43652	2.7
618.43011	28.7
619.43073	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	618.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	2.0
53.03925	6.4
53.68715	1.7
55.01860	4.9
55.05501	46.4
57.03427	2.0
57.07055	6.2
59.04993	3.3
62.67620	1.6
65.03927	4.4
67.05495	28.6
69.03417	16.0
69.07058	22.2
70.06576	1.3
70.20242	5.6
70.20628	2.9
71.04988	9.1
73.56342	1.3
79.05478	38.0
80.06250	2.0
81.07044	52.8
83.04964	18.2
83.08604	71.5
85.02917	1.8
85.06534	7.9
87.04444	8.4
91.05460	52.4
91.06009	3.2
93.07024	66.5
95.04946	32.1
95.08592	39.3
97.06518	27.5
97.10131	2.1
99.04417	7.7
100.15590	1.4
103.05450	5.8
104.07109	3.8
104.10749	1.9
105.04502	2.8
105.07011	100.0
107.04926	7.0
107.08572	71.6
108.09409	1.8
109.06497	15.5
109.10138	30.3
111.08072	6.5
111.11685	2.3
113.05956	1.9
113.09625	12.5
115.05441	5.2
117.06992	23.2
118.07776	2.2
119.04944	1.6
119.08559	85.2
120.09344	2.9
121.06497	12.1
121.10122	62.4
123.08038	20.6
123.11707	7.7
125.09614	24.0
127.11163	1.9
128.06197	13.2
129.06982	22.1
130.07767	8.6
130.08633	3.8
131.08540	49.4
132.09303	6.1
133.06509	4.3
133.07693	1.8
133.10109	62.8
135.08032	15.2
135.11664	13.2
137.09624	9.5
139.11142	15.0
141.06955	10.8
141.09111	2.5
142.07745	26.8
143.08543	55.0
144.09338	13.5
145.06419	8.4
145.10092	80.7
146.07246	2.4
146.10596	3.1
147.08037	16.6
147.11668	24.7
149.09598	16.0
149.13222	3.5
150.10268	2.0
151.07536	2.9
151.11113	3.2
153.06970	4.5
153.09090	2.3
153.12642	2.4
154.07762	3.0
155.08554	21.4
155.10611	17.1
156.09329	23.5
157.10095	67.1
158.07329	2.7
158.10878	8.4
159.08046	21.3
159.11662	41.2
160.08826	14.7
160.12392	3.1
161.09596	15.5
161.13278	6.3
162.10371	1.5
163.11203	8.0
165.06934	7.1
165.09045	2.5
165.12694	3.5
166.07768	3.8
167.08546	15.1
167.10643	23.1
167.14299	2.7
168.09319	4.5
168.11461	2.7
169.10097	32.5
169.12206	2.7
170.10883	11.6
171.08009	3.0
171.10130	5.8
171.11626	40.8
172.08937	2.6
172.12276	4.3
173.09604	10.8
173.13220	19.5
174.10344	2.4
175.11145	12.9
175.14789	5.1
177.12701	3.5
178.07710	1.8
179.08504	12.8
179.14311	5.6
180.09288	6.5
181.10106	18.1
181.12210	31.0
182.10909	16.4
182.12450	2.1
183.08070	2.7
183.11649	28.6
183.13719	2.5
184.12419	5.0
185.09572	4.6
185.13239	22.9
186.10368	2.6
186.13974	5.7
187.11101	7.7
187.14748	11.5
189.12727	5.9
190.13484	5.8
191.14291	12.6
192.09296	5.4
193.10153	14.8
194.10857	10.8
195.11671	26.2
195.13570	2.7
196.12427	11.2
197.09621	3.7
197.11436	3.3
197.13214	43.1
198.10381	1.8
198.13972	4.9
199.11137	8.5
199.14769	16.5
201.12733	4.9
201.16353	3.9
203.14276	5.9
204.09312	2.3
205.10127	5.0
206.10806	7.2
207.11667	17.9
207.13795	5.1
208.12427	10.2
208.14558	7.3
209.09370	1.4
209.13251	26.1
209.15317	4.1
210.13980	6.4
211.11171	3.2
211.14784	21.8
212.15556	3.2
213.12677	10.9
213.16327	7.7
215.14279	22.7
217.10101	3.2
217.15851	3.8
218.10864	2.4
218.16635	5.9
219.11679	8.3
219.13655	3.0
220.12485	6.0
221.13219	20.7
221.15358	25.0
222.14003	4.7
223.11127	2.4
223.14786	18.1
224.15378	3.5
225.12674	7.1
225.14827	14.5
225.16493	5.8
227.14238	9.2
229.15848	3.1
230.10797	2.1
231.11618	6.2
231.13751	3.3
231.17429	4.2
232.12404	2.9
232.14590	1.7
233.13185	10.9
233.15350	45.1
234.13870	4.0
234.16049	5.9
235.14754	12.3
235.16907	3.5
236.01414	1.5
236.15619	2.8
237.12715	2.3
237.16571	11.0
238.17097	2.1
239.14281	4.3
239.17952	4.0
241.15810	3.5
243.17509	2.8
244.12413	2.2
245.13219	4.3
245.15430	2.0
246.13954	3.7
246.16241	4.3
247.14709	6.3
247.16985	6.8
248.15579	3.4
249.16368	13.0
250.17072	2.9
251.14247	1.8
251.17842	7.9
253.15779	3.8
253.19473	3.9
255.17383	40.6
256.12289	1.7
256.17822	1.9
257.13162	4.2
257.18973	5.0
258.13977	3.3
259.14804	5.6
260.15497	3.2
261.16385	9.2
262.17038	2.0
263.17889	6.0
264.18790	2.2
265.19443	6.3
267.17429	6.5
267.20993	1.9
268.18213	4.1
269.18903	9.3
270.19714	11.1
271.14404	1.7
271.20547	5.9
273.15985	2.2
273.18674	9.5
274.17041	3.0
275.17780	4.9
277.19473	4.1
279.17392	2.4
281.18994	5.7
282.19717	6.4
283.01797	6.0
283.20605	4.6
284.21246	2.5
285.18472	4.9
286.19244	7.4
287.17529	3.3
287.20206	4.3
289.19489	6.8
291.19882	1.8
292.18054	2.4
293.18918	3.3
294.19809	1.8
295.20529	6.5
296.21265	2.4
297.18701	3.5
297.22250	3.2
298.19302	2.1
299.20380	7.1
301.19235	2.1
305.18817	2.1
307.20599	3.5
309.21924	2.5
310.19080	2.5
310.22263	1.7
311.20117	3.5
313.21548	2.4
315.21094	3.1
317.22025	1.6
321.22244	1.6
322.22760	3.6
325.21756	4.2
331.24088	2.4
333.22104	2.4
334.22839	3.5
335.23593	2.5
337.25061	9.4
343.24094	1.8
345.22107	1.8
347.23807	7.2
349.25235	6.6
360.24466	4.5
361.25192	2.9
365.24808	10.0
367.26175	5.1
373.25275	3.6
374.25986	2.9
375.26907	3.2
381.25085	1.7
383.25803	19.0
385.25049	1.9
399.26889	2.8
401.27948	2.4
414.29080	5.8
429.31363	4.2
439.29620	2.0
457.30762	5.1
476.32581	2.3
490.34259	2.5
542.38037	1.9
582.40369	3.3
600.41156	6.5
618.22925	2.1
618.42609	24.5
619.28662	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	618.4265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.7
55.01850	3.9
55.05502	46.7
57.06824	2.3
57.07063	30.4
59.04993	11.6
65.03907	4.2
67.05487	33.5
68.14515	2.0
69.03088	2.7
69.03409	16.6
69.07052	16.8
69.65964	15.7
70.06553	7.4
71.04967	8.1
71.08646	12.7
73.02878	5.8
74.17873	1.9
77.03902	3.3
79.05481	39.3
81.06586	5.1
81.07043	57.8
83.04964	17.3
83.08607	70.4
84.08153	2.9
85.02853	3.5
85.06507	9.6
85.10174	11.9
87.04444	17.3
89.06011	25.4
91.05471	50.5
93.06483	4.4
93.07030	70.8
95.04957	35.7
95.08592	40.5
97.06519	20.8
97.10147	4.0
98.21488	3.9
99.04424	8.5
99.08082	3.3
103.05460	5.3
105.07014	100.0
107.04935	8.3
107.08573	75.7
108.05698	2.6
109.06496	18.7
109.10143	35.6
111.08044	8.4
113.09622	9.4
115.05409	4.7
117.06995	27.3
118.07790	2.3
119.08567	96.6
121.06527	13.5
121.10127	58.3
122.10415	2.3
123.08055	32.2
123.11668	6.3
125.09595	21.5
128.06198	13.0
129.06982	21.4
130.07742	9.9
130.08623	4.4
131.08546	49.2
132.09299	6.8
133.06470	3.5
133.08604	11.8
133.10107	53.3
134.10388	3.3
135.08032	16.6
135.11667	8.5
137.05914	5.2
137.09595	13.1
139.07455	2.4
139.11134	13.9
141.06958	8.4
142.07765	21.2
143.08539	56.7
144.09311	15.8
145.06482	4.2
145.10095	86.9
146.10780	2.7
147.07985	20.0
147.11667	25.7
149.09589	12.7
149.13179	3.0
151.07515	7.9
151.11151	2.7
153.06914	4.6
153.12682	2.5
154.07747	3.2
155.08572	23.6
155.10635	19.9
156.09320	24.5
157.10103	76.9
158.10939	12.3
159.08040	16.7
159.11665	46.3
160.08806	18.4
161.09602	20.4
161.13239	8.2
162.10251	3.0
163.11150	16.1
165.06949	6.6
165.09099	21.5
165.12668	4.0
166.07715	3.0
167.08578	11.2
167.10657	16.6
168.09309	6.1
168.11340	2.4
169.10098	30.3
169.12198	3.1
170.10832	10.1
171.07990	3.0
171.10217	4.2
171.11629	40.8
172.08722	4.1
172.12421	5.2
173.09570	12.2
173.13216	19.2
174.33501	2.4
175.11165	12.1
175.14757	6.9
177.11205	5.7
177.12621	4.0
179.08510	12.4
179.14279	5.7
180.09265	4.8
181.10094	21.8
181.12224	27.9
182.10854	12.8
183.11681	28.8
184.12399	7.2
185.09572	5.4
185.13211	25.9
186.10350	2.4
186.14005	4.0
187.11128	12.3
187.14774	9.7
189.12691	10.8
190.13466	7.3
191.14268	9.7
192.09320	3.9
193.10085	13.1
193.12091	4.6
194.10873	9.6
195.11662	25.3
195.13507	3.8
196.12433	9.0
197.09518	5.4
197.13225	34.2
198.13940	4.4
199.11057	4.3
199.14735	15.0
201.12787	5.2
201.16394	4.5
203.14207	12.6
205.10139	3.6
205.15750	2.9
206.10880	5.0
207.11609	12.6
207.13779	9.2
208.12344	7.0
208.14526	12.2
209.13249	28.2
209.15199	4.6
210.13872	5.9
211.11162	4.9
211.14767	19.7
212.15385	4.1
213.12688	10.3
213.16328	6.1
215.14311	17.0
217.15916	3.3
219.11700	4.3
220.12337	5.7
221.13213	19.4
221.15324	54.6
222.13879	5.1
223.11154	5.1
223.14766	19.9
224.15436	3.5
225.12689	6.0
225.14789	20.0
225.16605	5.5
227.14195	4.2
229.15849	4.9
231.11662	3.7
231.13837	5.1
233.13115	8.5
233.15324	30.5
234.13976	5.1
234.15976	13.5
235.14700	11.1
236.15434	2.8
237.12688	5.6
237.16344	10.7
239.14235	5.4
239.17946	3.8
241.15753	3.2
245.13145	3.9
245.15427	3.3
246.13866	2.8
246.16193	5.3
247.14714	5.7
247.16879	10.2
249.16353	5.0
251.17984	4.0
253.15843	2.9
253.19507	3.0
255.17430	21.8
260.15421	3.1
261.16293	6.3
263.17798	5.9
265.19528	5.7
267.17377	3.5
268.18088	3.1
269.18979	8.2
270.19717	11.8
271.17023	3.2
271.20468	3.0
273.18521	9.9
274.19373	3.0
275.17746	6.4
276.18732	2.4
279.17401	4.1
281.18951	8.7
283.20227	3.9
285.18393	6.4
285.22043	3.2
286.19217	11.0
287.20139	28.0
289.19644	4.0
295.20435	5.6
299.20071	12.2
309.18585	3.4
309.22202	3.0
311.19870	3.4
312.20776	3.6
313.21643	4.8
325.21487	9.4
329.21115	3.4
337.21445	6.1
337.25226	4.7
339.22913	4.5
352.23917	55.3
360.24088	2.8
365.24704	13.6
367.26093	8.5
373.24716	2.8
383.25760	9.2
472.31534	7.3
525.35437	8.2
526.35834	2.5
538.28577	4.8
538.36469	80.5
582.40045	3.8
600.41589	8.5
618.42578	36.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.1
55.05499	16.1
57.03415	1.6
57.07063	13.2
59.04985	6.6
65.03924	1.9
67.05488	12.4
69.03413	7.0
69.07053	6.5
70.06573	1.9
71.08616	3.1
71.53748	2.2
79.05473	12.4
81.07034	28.0
83.04961	5.8
83.08608	28.6
84.08124	4.1
85.06528	5.0
85.10175	2.6
87.04443	37.3
89.06020	3.8
91.05464	20.0
93.07034	27.9
95.04941	17.5
95.08588	17.2
97.06527	9.6
97.10242	1.7
98.21137	2.0
99.04437	3.8
105.07008	41.2
106.07832	2.2
107.02039	1.6
107.04961	3.5
107.08569	24.7
109.06493	11.6
109.10148	10.6
111.08064	2.7
113.09628	3.2
115.05444	2.2
117.06987	12.3
119.08562	39.9
121.06489	7.4
121.10130	17.7
123.08057	12.0
123.11739	2.8
125.05975	2.6
125.09581	6.1
128.06215	5.3
129.06985	10.3
130.07777	2.4
130.08646	5.0
131.08543	24.3
133.10098	19.3
135.08008	11.4
135.11656	6.6
137.09593	6.7
139.11168	5.6
141.06972	2.5
142.07774	7.9
143.08537	20.5
144.09294	6.8
145.06445	2.8
145.10100	31.8
146.10771	1.7
147.08022	18.1
147.11659	7.1
149.09555	9.9
151.07449	9.0
151.11195	1.9
154.07736	2.5
155.08540	6.9
155.10645	7.1
156.09338	5.7
157.10103	30.3
158.10852	7.3
159.08018	5.5
159.11644	16.8
160.08800	6.2
161.09598	6.6
161.13208	4.6
163.11183	11.2
165.06955	2.0
165.09093	22.8
167.08546	2.1
167.10623	3.2
168.09340	2.7
169.10098	8.9
170.10834	3.0
171.10239	3.1
171.11629	16.4
172.08780	1.9
172.12454	5.4
173.09627	4.6
173.13126	7.8
175.11143	8.4
175.14757	3.2
176.11864	1.8
179.08498	2.5
179.14339	3.5
181.10101	6.1
181.12199	12.4
182.10844	5.0
183.11658	14.0
184.12386	2.3
185.09590	2.4
185.13297	5.7
186.13841	2.5
187.11151	5.0
187.14764	3.7
189.12738	5.7
190.13481	7.0
191.14165	3.8
193.10278	3.2
193.12260	5.7
194.10878	4.0
195.11636	8.2
195.13629	3.2
196.12358	4.8
197.13225	9.9
198.10378	2.1
199.11090	4.8
199.14793	4.9
201.12752	3.1
203.14287	10.2
207.11749	2.8
207.13763	6.3
208.12709	1.9
208.14452	8.1
209.13222	10.0
209.15170	3.3
211.14853	5.7
213.12648	3.2
215.14323	2.6
219.13756	2.7
220.12343	2.0
221.13319	3.9
221.15314	47.9
222.15756	3.8
223.14763	3.6
224.15604	1.9
225.12738	3.8
225.14555	10.6
227.14388	2.4
231.13680	4.3
233.13229	2.8
233.15355	8.4
234.16061	10.0
235.14897	3.6
237.12643	2.4
237.16394	3.5
239.14400	2.4
239.17763	1.9
247.14639	2.8
247.16953	5.4
251.14368	2.2
253.15840	3.2
259.16904	2.0
269.19012	1.7
273.18552	2.6
274.19324	3.0
281.19049	2.7
285.18423	2.1
286.19305	4.3
287.19986	37.7
288.20505	2.3
291.20752	1.8
291.27655	2.1
299.19940	11.0
300.20853	2.7
303.19385	2.1
309.88626	1.6
311.20145	2.4
312.20731	4.7
325.21603	10.8
329.21069	4.2
337.21506	5.9
339.23245	3.9
352.23886	59.5
353.24442	6.1
365.24530	10.4
367.26297	2.6
395.25772	6.4
438.31439	3.3
472.31839	7.0
520.35052	3.1
525.28192	2.4
525.35657	13.3
526.36029	4.6
538.36401	100.0
539.36670	7.0
600.40906	3.8
618.42566	25.1
619.43591	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	618.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.3
55.01864	9.3
55.05301	1.1
55.05507	13.4
57.03426	17.6
57.07063	4.6
59.04980	2.5
61.02925	12.0
65.03915	2.2
67.05492	30.7
69.03415	34.5
69.07053	22.5
69.98985	2.4
69.99266	7.0
70.06580	1.6
71.01331	4.3
71.04974	4.1
71.08614	2.9
72.04510	1.9
73.02905	71.4
78.76995	1.2
79.05476	17.0
81.03418	6.6
81.07042	60.9
83.04948	2.6
83.08604	15.0
84.04491	3.9
84.08109	1.5
85.02892	81.4
86.09705	2.1
87.04438	5.2
91.03939	2.9
91.05455	21.1
93.07034	34.9
95.04939	4.4
95.08592	85.3
97.02878	62.2
97.06509	1.9
97.10155	6.5
99.04429	5.6
100.11231	1.4
103.03924	3.5
103.05465	2.3
105.07014	51.1
107.08577	59.4
109.02844	6.7
109.06496	3.0
109.10140	63.2
111.04426	1.7
111.08070	1.5
111.11710	2.8
115.03151	2.2
115.03914	33.5
117.07001	8.5
119.05027	1.2
119.08562	100.0
121.10129	40.2
121.11016	1.6
123.08043	1.5
123.11679	19.0
125.09594	2.3
127.03893	29.7
128.06207	1.6
129.06937	2.7
129.10265	1.3
130.07742	1.6
130.40919	1.1
131.04919	1.5
131.08553	18.9
133.04947	34.6
133.10114	44.6
135.11673	22.5
137.09526	2.8
137.13239	4.0
143.08525	2.2
144.06581	1.7
144.09335	2.0
145.04938	41.4
145.10100	38.8
147.11665	43.1
149.13216	15.7
150.07600	3.4
151.14720	1.8
157.09982	1.5
159.11671	46.1
160.12080	2.0
161.09563	1.4
161.13225	41.1
162.07578	3.5
162.13553	2.0
163.05977	18.4
163.14781	22.8
171.11630	1.4
173.13225	19.3
175.14796	18.1
177.16386	11.2
187.14793	22.9
189.16350	29.5
191.17928	5.9
193.04930	1.9
196.46953	1.4
199.06026	2.8
201.16342	20.5
203.17969	8.2
204.08635	1.7
211.06062	2.1
213.16463	1.7
215.17928	28.3
217.06975	3.5
223.05981	8.6
229.19502	5.0
241.07004	12.1
243.21188	3.7
259.08105	29.8
271.24158	97.0
277.09094	6.9
289.25204	4.3
295.10178	28.5
301.68161	1.5
310.24725	1.4
334.22577	1.3
336.09143	2.3
385.27017	1.6
385.88080	1.2
403.28366	3.2
407.78970	1.3
433.29355	1.9
618.33649	2.3
618.46313	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	618.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.4
55.01860	1.6
55.05491	0.8
57.03418	1.9
59.04989	1.1
62.30879	0.6
65.03929	1.7
66.43361	0.6
67.05479	1.7
68.05003	0.8
68.16856	0.7
69.03407	1.5
70.06573	3.0
70.15154	3.7
71.04962	1.3
72.08127	0.8
75.04458	2.7
78.04649	0.7
78.36504	0.6
79.05473	4.8
81.07029	1.7
82.06538	0.8
84.08121	2.4
85.02876	2.5
86.06047	1.7
86.09671	1.6
87.00777	1.0
87.04440	2.1
89.06002	2.3
91.05468	8.4
93.03397	5.1
93.07034	3.7
95.04941	3.1
95.08602	0.9
97.02831	1.1
97.06500	2.2
98.20785	1.1
103.05435	6.2
105.03368	0.9
105.07016	22.1
106.04163	8.3
107.04926	3.5
108.05736	1.7
109.02847	0.9
109.06495	1.9
115.05411	1.6
116.10739	0.9
116.67592	0.7
118.04133	5.8
118.98378	0.7
119.04903	3.1
119.08539	1.5
120.05691	1.3
121.06497	14.4
122.07255	1.2
123.04433	1.7
123.08052	2.5
124.05199	2.0
125.05960	3.5
127.03915	0.9
130.08597	1.6
131.04874	2.0
132.05644	1.5
133.06476	24.0
133.08583	0.8
133.10091	1.6
134.02626	0.9
134.03590	1.6
135.04398	3.0
135.07994	4.7
136.06108	0.8
137.05946	8.6
139.07466	1.4
146.08141	3.0
147.04329	1.5
148.05153	3.0
149.04749	1.3
149.05957	24.8
149.95213	0.7
150.05554	1.3
150.06720	13.4
151.07507	5.5
153.09087	6.0
161.05934	5.0
161.09618	1.4
163.03848	1.5
163.07515	2.2
165.09087	14.6
166.06215	0.9
167.06996	13.2
177.05444	12.9
178.06140	2.2
179.06998	2.3
181.08569	9.2
191.07011	3.0
193.08580	63.0
195.06429	0.7
209.08055	81.9
210.08350	0.8
211.09618	100.0
212.16414	2.2
247.07269	0.7
403.17313	1.5
438.28259	0.9
450.59058	0.7
456.29456	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	6.3
57.03418	4.8
57.06794	3.5
57.07067	63.9
58.04200	7.4
59.04985	34.6
59.17022	2.3
59.25620	2.2
67.05486	14.2
69.07030	6.6
71.04987	4.4
71.08616	100.0
71.53571	3.9
72.05771	22.5
73.02892	11.7
73.06544	28.4
79.05463	9.6
79.23004	2.5
81.07055	15.6
82.07824	6.6
82.35380	2.5
83.04980	6.3
83.08598	9.5
85.02882	2.8
85.10168	62.6
86.07280	2.9
87.04455	48.0
87.08073	3.2
88.05242	8.3
89.06017	50.1
90.01901	69.1
90.06336	3.1
91.05471	9.5
91.07501	2.5
93.07035	13.8
95.04957	5.7
95.08588	11.2
97.10130	4.0
101.05995	4.2
102.05489	3.8
103.07552	16.5
105.07036	13.6
105.22837	3.0
107.08577	9.6
109.06515	4.2
109.10130	7.8
116.08321	3.6
117.07010	3.2
117.09081	18.1
119.08576	12.7
119.31874	2.7
121.08660	2.8
121.10159	12.9
123.11709	3.0
124.12476	3.7
125.05997	2.8
127.14817	5.8
128.06192	2.8
131.07031	5.4
131.08537	6.0
133.08572	29.0
133.10129	6.7
135.08038	4.6
135.11597	2.6
137.09575	3.6
139.11182	2.6
143.08522	5.8
145.10124	14.5
147.11626	3.5
149.09599	4.6
154.19820	2.7
155.14278	3.5
156.09290	3.3
157.10080	8.5
159.08049	3.7
159.11639	6.5
161.11685	4.8
161.13243	2.8
163.11139	5.5
165.09076	3.7
167.10718	8.4
169.10112	6.2
173.13281	5.7
175.14818	2.6
177.11220	9.5
178.07074	10.5
179.12755	3.1
181.10036	3.1
183.11678	4.7
184.18213	3.9
185.18996	6.0
193.04904	6.1
195.11459	2.5
208.15329	5.2
209.13475	4.6
213.12791	3.0
221.13359	3.5
221.15298	5.6
222.09619	15.5
222.16937	4.1
223.14999	3.8
224.14911	3.9
229.21591	4.3
233.15315	3.1
238.16336	3.1
252.18137	7.2
254.15704	3.0
266.12189	4.2
266.19684	5.9
268.17590	3.6
271.16260	5.6
285.17764	3.7
296.20502	8.1
310.22256	13.1
326.21677	4.9
334.29486	8.4
340.23120	3.8
378.32031	12.2
416.21332	8.5
422.34644	4.6
466.37357	29.5
510.38913	2.9
526.39569	6.0
599.40436	4.3
617.42346	20.7
618.42163	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	617.4187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21490	2.9
51.02377	2.8
51.36555	2.5
53.03928	8.3
55.01865	3.7
55.05502	31.6
57.07063	29.1
59.04976	8.5
65.03917	4.9
67.05492	31.8
68.05845	3.1
69.03416	16.0
69.07056	27.1
69.98335	13.6
71.04999	3.2
71.08607	8.0
72.08939	2.9
79.05486	35.5
81.06583	5.0
81.07037	50.2
83.04969	34.3
83.08601	23.8
85.02879	3.2
85.06509	7.5
85.10163	9.9
85.10818	2.6
87.04458	9.0
89.06010	12.2
91.05460	62.7
93.07031	78.7
95.04958	27.6
95.08585	41.1
95.79305	2.7
97.06501	17.2
98.21465	4.3
103.05470	5.0
105.07010	100.0
107.04920	4.7
107.07870	5.1
107.08569	75.7
109.06506	26.1
109.10139	35.8
111.08043	4.2
111.11642	3.5
113.05955	3.2
113.09637	6.6
115.05441	11.6
117.07000	28.0
119.08552	63.6
121.06491	17.1
121.10112	90.0
123.08041	22.6
123.11692	10.8
125.05972	25.0
125.09588	12.8
128.06195	17.3
128.77780	3.0
129.07016	26.4
130.07759	8.7
131.08531	47.6
133.06511	6.9
133.08600	5.5
133.10103	45.1
135.08064	15.1
135.11685	17.6
137.09590	15.6
139.11154	7.2
141.06995	8.3
142.07767	26.0
143.08540	41.7
144.09309	11.1
145.06407	3.3
145.10101	78.4
147.08012	17.2
147.11659	19.2
149.09560	25.1
151.07510	7.6
151.11186	5.6
153.06859	4.3
154.07741	6.0
155.08533	19.2
155.10635	9.8
156.09326	21.7
157.10103	64.4
158.10794	6.1
159.08009	22.3
159.11661	37.9
160.08763	3.4
161.09567	16.2
161.13197	7.9
163.07541	4.2
163.11148	45.5
165.06972	9.2
165.09116	16.9
167.08525	10.0
167.10649	98.0
168.09282	5.6
169.10132	31.5
170.10870	11.5
171.07915	4.0
171.11632	33.4
173.09529	8.1
173.13252	20.9
175.11171	9.2
175.14709	4.7
177.09084	3.4
177.11217	4.3
177.12677	4.3
179.08519	17.0
180.09268	7.3
181.10254	16.5
181.12183	43.2
182.10843	9.3
183.11641	22.8
185.09618	5.9
185.13196	15.6
187.11235	9.8
187.14821	6.8
189.12691	12.7
191.14227	7.0
192.09319	4.3
193.10088	10.1
194.10823	9.3
195.11662	24.6
196.12425	7.8
197.13232	29.1
199.11185	6.6
199.14767	15.6
201.12796	7.7
203.14278	10.4
205.10129	4.2
206.10861	6.5
207.11624	16.2
207.13614	5.3
208.12375	9.1
209.13252	20.1
209.15030	3.9
210.14178	2.9
211.11125	5.3
211.14687	14.5
213.12711	5.8
213.16437	4.0
215.14261	6.8
217.15775	4.8
219.11703	5.8
219.13779	3.2
220.12360	5.6
221.13220	15.7
221.15321	22.4
222.13992	4.7
223.11183	3.6
223.14758	15.2
225.16301	12.1
227.14291	8.8
231.11604	3.1
233.13145	6.3
233.15302	36.5
235.14725	12.0
235.16908	6.2
236.15903	3.0
237.16351	7.5
241.15752	4.2
245.13251	5.1
247.14685	4.5
251.18013	7.7
253.15771	5.2
258.13913	3.8
259.14850	6.0
261.16309	5.6
263.18048	5.4
265.19354	3.7
267.17181	5.9
269.18948	13.1
273.18695	6.3
275.17990	3.6
277.19388	4.7
281.18973	5.5
285.18671	4.6
287.20175	4.5
289.19669	3.5
297.18707	2.9
299.20013	10.3
300.20804	3.7
303.17587	3.8
307.20480	3.2
311.19940	8.2
313.21561	4.1
343.24222	4.3
361.25085	7.7
365.24661	3.8
379.26135	6.1
533.25830	3.2
581.39380	6.5
599.40814	16.2
617.41913	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	617.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84398	3.3
53.03924	5.6
55.05505	22.1
57.07067	19.4
59.04991	10.1
65.03921	8.1
67.05492	34.8
69.03413	12.8
69.07046	19.8
69.26491	30.8
71.08614	6.5
79.05482	27.4
81.07029	39.8
83.04987	19.3
83.08617	17.1
85.06522	6.3
85.10165	11.0
87.04454	13.2
87.59980	2.7
89.05979	10.5
91.00658	2.8
91.05470	51.0
92.05772	3.9
93.07029	59.1
95.04945	27.1
95.08586	47.6
97.06514	15.3
97.10152	4.4
98.21471	4.9
99.02486	3.0
103.05451	6.2
105.07011	100.0
106.07278	3.2
107.08576	62.0
107.47929	3.7
109.06496	17.6
109.10148	38.0
109.10841	5.3
111.04427	5.4
111.08058	9.0
113.09650	5.5
115.05448	8.3
117.06982	18.4
119.08557	81.3
120.08822	6.5
121.06473	11.3
121.09296	6.9
121.10122	63.8
122.10441	4.4
123.08085	18.3
123.11700	7.7
124.08385	4.6
125.05949	6.1
125.09595	11.0
128.06198	11.0
129.07002	18.1
130.07765	7.3
131.08540	43.1
132.08766	3.2
133.06454	8.6
133.08594	4.1
133.10110	54.9
134.10498	6.6
135.08063	17.0
135.11664	13.8
137.09587	14.2
141.06944	7.5
141.09093	7.1
142.07790	25.6
143.08539	40.9
144.09290	10.3
145.06421	4.5
145.10106	69.4
146.10451	6.6
147.08034	12.9
147.11662	17.6
149.09605	10.9
149.13223	4.0
151.07504	8.5
151.11176	3.1
153.06963	4.5
153.08942	3.2
154.07780	3.5
155.08514	17.2
155.10641	7.5
156.09373	23.5
157.10104	50.8
158.10695	9.8
159.08057	16.2
159.11658	34.8
160.12019	4.9
161.09624	17.4
161.13239	9.7
163.11174	14.7
165.06993	7.6
165.09076	16.0
165.12759	2.8
166.07529	5.9
166.09343	3.3
167.08554	12.6
167.10561	15.1
168.09264	5.8
169.10101	29.6
170.10806	11.6
171.11656	26.4
172.08809	3.9
172.12076	7.2
173.09589	13.9
173.13206	19.8
174.10020	3.5
175.11118	6.6
175.14795	9.8
177.09065	7.4
177.12737	4.0
179.08560	11.0
179.10654	4.7
180.09251	8.2
181.10031	17.5
181.12192	13.2
182.10806	11.8
183.10143	5.5
183.11638	28.9
184.12292	3.5
185.09685	3.7
185.13185	18.5
186.13737	4.7
187.11098	7.7
187.14752	7.5
189.12730	8.5
192.09363	5.8
193.10063	11.7
193.11897	3.9
194.10938	7.6
195.11690	24.1
195.94781	3.5
196.12328	6.9
197.13165	24.8
198.13733	7.0
199.11096	6.2
199.14790	12.7
201.12663	6.6
201.16307	4.1
203.14180	7.1
206.10866	7.6
207.11710	15.7
207.13594	3.1
208.12338	8.3
209.13240	20.3
210.13725	6.3
211.11119	6.5
211.14726	13.3
213.12750	4.6
213.16380	8.5
215.14134	6.0
219.11786	4.4
220.12289	4.9
221.13155	14.1
221.15343	18.9
222.13885	4.2
223.14925	14.9
223.16751	3.0
225.12723	6.1
225.16394	5.8
227.14220	6.7
231.11671	7.4
231.13805	5.2
232.12337	4.5
233.13258	6.8
233.15436	6.0
234.15981	4.8
235.14726	11.4
236.15263	4.6
237.16231	8.8
239.14252	4.9
241.15878	4.4
245.13176	5.3
247.14682	5.0
249.14676	6.3
251.17929	4.8
253.15710	5.2
255.17389	4.3
259.14651	4.2
263.17911	7.6
265.19534	8.1
273.18784	4.3
277.15976	4.3
277.19305	5.4
281.19098	5.9
283.20569	4.3
287.19934	6.0
299.20093	6.3
383.26013	4.0
563.38037	4.3
581.39423	5.7
599.40698	7.3
617.41571	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	1.1
53.34105	1.1
54.00327	1.0
55.05493	3.1
55.30093	1.0
57.03437	1.3
57.07059	2.1
59.04992	1.2
61.02926	1.2
67.05480	2.8
69.03415	3.5
69.07054	4.7
69.50381	9.1
70.06555	1.0
71.04983	3.1
72.95005	1.0
73.02898	2.0
79.05476	1.8
81.03409	2.8
81.07037	3.6
83.08592	6.6
84.04469	1.7
85.02891	8.3
87.00820	1.5
87.04471	1.4
89.06013	4.5
90.19115	1.0
91.05453	1.5
93.07024	3.2
95.04962	2.6
95.08572	2.5
96.75089	1.2
97.02883	3.2
97.10175	1.8
105.07024	2.2
106.06564	1.6
107.08575	2.7
108.08109	1.4
109.02864	2.9
109.06594	1.2
109.10146	2.8
115.63618	1.0
119.08563	2.5
120.04440	1.3
120.08079	1.9
121.06485	1.1
121.10141	2.1
122.06030	3.6
124.07561	17.5
127.03880	3.4
129.05417	1.1
131.04915	1.7
131.08641	1.2
133.08582	2.5
133.10089	1.4
134.05989	1.9
135.37355	1.1
136.06424	1.3
136.07538	14.6
146.05984	7.9
146.09613	1.1
148.07527	11.1
150.87755	1.0
152.07065	3.1
157.10158	1.3
161.13380	1.3
162.07574	4.0
164.07034	13.8
166.08612	12.3
172.03893	4.3
173.04652	1.4
174.05481	5.6
174.09105	1.4
175.14732	1.4
176.07045	14.1
176.22878	1.1
190.04965	2.1
191.05742	1.7
192.06561	1.6
196.04498	1.0
204.06523	6.8
206.08141	2.1
210.11519	2.2
211.12367	3.0
223.12311	1.7
224.09544	1.6
224.13052	1.4
225.10147	3.9
227.11841	2.1
235.12254	3.5
236.13055	1.2
237.10098	6.7
238.10886	10.4
239.11757	9.2
240.04788	1.4
245.12891	2.4
248.09482	1.4
249.10159	3.6
250.10895	3.1
251.11707	10.4
252.12553	1.5
253.13286	4.4
255.11118	1.6
256.03000	1.2
263.11703	14.6
263.14069	1.8
264.08774	1.6
264.12466	3.2
265.09735	4.8
265.13327	26.3
266.10367	2.3
266.14102	1.6
267.11292	4.7
269.12814	4.2
270.13556	1.2
271.11270	2.1
271.14346	17.0
277.09793	3.8
277.13379	4.3
278.10498	3.8
279.11227	100.0
280.12009	7.9
281.12814	3.2
283.10727	1.5
283.14429	2.2
285.12222	2.7
287.13797	3.6
289.15381	4.1
291.11304	4.2
293.12851	6.4
295.10715	4.5
295.14087	2.6
296.11459	2.6
297.12292	58.4
298.13055	6.4
299.13879	3.3
309.08691	2.0
309.12283	35.4
310.13074	19.8
311.13791	4.8
315.13492	3.5
319.10742	4.6
321.12271	11.1
324.11005	1.6
325.11783	4.4
329.14825	2.4
336.09149	1.9
337.11758	58.5
338.12503	16.0
339.13324	72.9
340.14056	3.8
356.55740	1.2
369.14426	14.2
370.15048	4.0
371.15964	34.5
385.14117	1.9
392.19550	1.4
400.16483	2.8
402.17789	1.4
418.17670	1.4
422.20706	5.2
432.19315	1.6
434.20291	1.6
442.17487	3.6
450.20105	2.3
460.18591	51.8
461.19098	2.3
462.20169	46.2
463.20761	5.0
464.21753	11.2
480.20975	3.7
492.20758	1.6
493.22067	1.3
494.15897	1.6
494.22824	24.4
495.23398	2.7
567.25830	3.6
585.26965	84.5
586.27246	2.2
617.29730	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	617.1126
Annotation	Quercetin 4'-(6''-galloylglucoside)
Peak:m/z	Relative Intensity
50.01584	0.2
51.02365	0.4
52.29388	0.2
53.03931	0.6
53.05745	0.2
54.10231	0.2
55.01837	0.3
57.03410	0.3
61.02908	0.3
61.71940	0.2
67.05486	0.4
68.99777	0.6
69.03421	2.5
70.06579	3.0
71.04973	0.8
71.22129	0.2
71.54223	0.4
72.08142	0.7
73.02900	0.3
79.01831	3.6
79.05463	0.3
81.02917	0.4
81.03400	7.9
81.07027	0.2
82.67837	0.2
83.04971	0.2
84.04492	0.4
84.08109	0.8
85.02885	2.2
86.06049	0.5
86.09692	2.7
87.04446	0.2
91.05463	0.4
93.07047	0.3
95.04951	0.5
97.02875	5.2
98.06017	0.2
99.04401	0.9
100.07595	0.3
101.07059	0.2
105.06980	0.5
107.01301	1.3
109.02860	4.6
111.00775	0.6
113.03507	0.4
115.08658	1.0
115.83821	0.2
117.06982	0.3
120.08080	0.3
121.02872	0.5
121.06461	0.3
121.10162	0.4
123.04404	0.3
125.02336	3.6
127.03893	5.9
129.10233	0.3
133.10124	0.2
135.04448	0.3
135.11656	0.2
136.07526	0.3
137.02292	2.4
137.05960	0.7
143.02281	0.5
143.03377	6.8
143.08159	0.6
145.04932	1.3
147.04359	0.2
149.02327	0.2
151.03893	0.3
153.01801	100.0
154.02147	1.8
161.06013	0.3
163.03868	0.6
165.01813	1.2
167.06967	0.5
171.02859	9.0
172.03171	0.2
177.05476	0.3
183.02875	0.4
183.14925	0.3
191.03441	0.5
195.02866	0.2
201.05444	1.1
205.04944	0.3
207.02969	0.2
209.08037	0.2
211.09656	0.4
211.14340	0.4
228.04204	0.2
229.04942	2.4
237.03738	0.2
244.09039	0.2
245.14937	0.4
247.05978	0.3
257.04395	1.5
274.04672	0.6
285.03882	0.8
297.05991	10.4
298.06445	0.3
302.04337	0.3
303.04935	58.2
304.05276	1.6
315.07068	4.3
342.20361	0.3
345.06033	0.7
407.20212	0.5
428.21066	0.3
512.93988	0.3
562.65070	0.3
617.25354	0.3
617.34503	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.462
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26025	0.7
55.05498	1.8
57.07066	47.0
59.04988	17.9
67.05502	1.4
69.07063	3.9
69.37134	4.7
70.06586	0.7
71.04989	0.6
71.08620	88.6
73.06554	3.2
79.05488	1.2
81.07056	1.6
83.04956	0.9
83.08608	0.9
85.10169	48.1
87.04449	14.0
89.06016	100.0
90.06324	1.0
91.05472	1.7
91.07578	1.6
93.07050	1.4
95.08572	1.1
98.20757	1.0
103.07565	6.2
105.06994	2.0
107.07072	4.5
107.08566	1.3
109.06487	1.0
109.10134	1.2
111.11685	0.8
117.09122	4.8
119.08575	1.2
121.10133	1.8
127.14812	6.8
130.08620	6.5
131.07034	5.0
131.08542	0.9
133.08580	81.6
139.10992	0.8
141.16380	1.1
143.08534	0.9
159.11653	1.0
161.09572	0.6
161.11676	1.6
167.10631	2.1
171.11774	0.9
173.13229	0.7
175.09616	4.7
177.11200	37.5
178.11459	0.8
181.12042	1.0
185.18967	8.5
188.41185	0.7
195.12115	0.9
207.19209	0.7
219.12051	1.6
221.13737	8.9
226.21643	0.8
229.21576	6.8
233.15393	0.9
239.14793	4.1
265.16364	1.5
283.17624	4.0
309.18942	2.4
327.20032	3.6
353.21414	1.5
371.22467	3.0
397.24130	2.7
415.25250	20.2
455.28259	5.1
459.27747	1.6
578.92706	0.7
599.43427	7.0
610.97229	0.7
616.17108	1.3
616.46918	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	616.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.8
55.01856	1.8
55.05502	14.3
57.03427	2.3
57.07067	12.3
58.47448	0.6
59.04991	2.4
60.04510	0.7
61.02916	1.3
65.03937	0.9
67.05488	5.3
69.03416	7.3
69.07056	100.0
69.41527	1.4
69.41942	3.9
70.06580	3.2
70.07391	0.7
71.04984	2.7
72.04482	1.3
72.08147	0.9
73.02905	1.7
76.02213	1.6
79.05472	3.3
81.03403	7.8
81.07040	6.2
83.04980	1.5
83.08602	40.5
84.04489	2.5
84.08120	2.1
85.02890	14.8
85.06526	2.0
86.09709	1.1
87.00813	5.3
87.04471	1.2
89.06018	14.0
91.05439	3.3
93.07024	4.2
94.14479	0.5
95.04967	2.6
95.08591	3.8
97.02866	5.0
97.06542	1.5
97.10152	2.6
98.06055	0.7
98.20716	0.7
99.04453	3.3
100.11247	1.6
103.03946	1.0
103.05444	0.7
105.01850	3.6
105.07014	3.1
105.24683	0.6
106.07298	0.7
107.04932	0.8
107.07071	0.9
107.08574	3.5
108.04435	0.6
109.02856	6.6
109.06527	1.4
109.10146	2.5
110.06033	0.6
110.10483	0.7
111.04416	1.1
116.01645	0.9
117.06986	0.8
119.04872	0.7
119.08566	4.2
120.08068	0.7
121.06526	1.6
121.10146	3.3
123.04420	0.9
123.08028	1.0
123.11742	0.8
125.09642	1.5
125.13223	5.1
127.03899	10.2
129.01849	1.1
130.05009	1.9
130.08629	2.6
131.08583	1.1
133.07632	1.1
133.08583	14.0
133.10132	2.3
134.04529	0.6
135.08035	1.9
135.11694	1.6
137.05939	2.4
137.09575	1.4
140.07033	1.0
143.08600	0.7
143.14288	17.1
145.04938	3.3
145.10107	1.9
147.04384	0.7
147.08060	1.0
147.11586	1.1
148.07495	1.1
149.09593	1.4
150.03712	0.6
151.07654	0.6
151.09644	7.3
151.10869	1.1
157.10056	1.2
159.02859	2.2
159.07974	0.7
159.11598	1.3
161.09566	1.5
161.15355	6.5
162.07567	8.7
163.07591	0.7
163.11171	1.2
167.07021	2.0
173.09639	0.8
173.13310	1.1
175.11182	0.8
177.03378	0.7
177.05443	1.1
179.04897	1.3
181.04814	0.7
182.15279	0.7
188.07080	0.7
191.07051	0.9
191.12759	6.0
195.12296	3.0
201.18463	7.1
203.14343	0.7
206.04597	0.9
209.13802	2.4
210.14929	0.8
231.04826	1.7
245.21080	1.9
256.09491	0.9
279.11365	0.9
291.19501	1.8
298.14691	1.3
309.12042	0.8
309.67133	0.8
315.04938	0.9
333.20526	0.8
333.26294	5.2
334.12854	0.8
351.27350	83.9
352.27737	2.3
390.16565	0.8
445.61267	0.7
451.22589	4.7
469.23523	2.4
474.16605	1.3
475.17044	1.0
494.19550	0.6
541.25476	0.7
581.25629	0.7
599.25293	1.0
616.26221	1.3
616.44257	3.6
617.26270	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70091	0.3
53.03922	1.8
53.18366	0.3
53.42764	0.3
55.01861	2.3
57.03409	0.8
60.04520	0.4
61.02895	0.5
65.03928	1.9
67.05476	1.0
69.03415	1.9
69.43570	1.2
69.43993	1.7
70.06571	2.5
70.30658	0.4
71.04967	0.9
72.08137	0.6
73.02881	0.4
75.04469	3.0
78.04692	1.6
79.05473	2.1
81.03391	1.6
81.07045	0.9
84.08118	1.0
85.02895	3.9
86.06036	0.5
86.09670	0.6
87.00797	0.4
87.04451	0.4
88.03947	0.4
89.03890	1.1
89.05999	1.0
91.05463	8.3
93.03389	9.2
93.07034	5.0
94.06547	0.5
95.04953	3.2
95.08591	0.5
95.40654	0.3
97.02869	0.9
97.06487	2.1
98.21437	0.7
99.04424	0.6
103.05446	4.0
105.04500	0.4
105.07005	1.9
106.04155	21.4
107.04928	1.4
107.08553	0.7
108.05680	0.4
109.02872	1.4
109.06484	1.1
110.03704	0.4
110.07151	0.7
111.04403	0.8
116.07036	0.3
117.03353	0.9
117.06924	0.5
118.04063	0.3
119.04893	1.1
119.08560	1.4
120.08141	0.4
121.06481	24.1
121.10063	0.4
122.06025	0.5
123.04413	0.6
123.08004	0.5
124.07609	0.3
125.05974	6.8
127.03889	0.9
131.04898	1.1
133.06421	0.9
134.03621	2.9
135.04381	1.0
135.08032	1.1
136.07521	0.8
137.05931	3.0
138.06712	0.9
139.07503	1.5
140.07060	0.7
145.02823	1.4
145.56174	0.4
146.05971	0.6
147.04366	0.6
147.08028	0.5
147.09134	1.0
148.05171	1.6
148.09445	0.6
149.05956	37.0
150.05397	0.7
150.06500	0.4
151.03920	0.7
151.07529	2.2
152.08261	0.7
153.05475	1.3
153.09067	10.0
159.09177	0.5
161.05965	2.1
163.03857	0.8
163.07532	1.8
164.07062	0.4
165.05428	0.5
166.06169	1.3
167.07047	1.9
174.05493	0.6
176.07019	0.5
177.05435	20.0
179.07008	0.5
181.08560	14.6
184.07356	0.5
188.26363	0.4
191.06644	0.6
191.08295	3.9
192.08499	2.8
193.08614	2.4
203.06967	0.8
209.08055	100.0
210.08427	1.2
216.07709	0.6
217.08119	0.5
219.10170	0.5
243.11288	0.5
274.16541	0.4
285.11224	0.5
307.12888	2.8
308.13171	3.7
314.12027	0.4
339.12244	1.1
346.12955	0.5
350.13342	1.6
351.13809	2.5
357.13229	0.5
369.13336	1.9
383.14838	1.6
387.14288	4.2
389.16599	0.4
391.17572	0.8
401.15948	0.9
412.13931	0.7
416.15692	0.6
419.16867	0.9
430.14951	0.4
448.16022	0.5
474.16959	0.4
475.16849	1.0
476.17474	0.8
526.97797	0.4
555.20044	0.8
598.24628	0.6
599.19135	9.4
616.24927	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	615.4974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.3
55.05256	1.5
55.05502	13.8
57.03433	4.5
57.07064	5.4
65.03924	1.3
66.23306	1.1
67.05492	35.8
69.07059	19.8
70.80897	2.8
71.04960	1.1
71.08618	1.4
79.05479	19.7
81.07042	41.1
83.04941	1.7
83.08617	9.9
85.06509	0.9
85.10173	1.1
89.06022	2.1
91.05460	12.6
93.07030	27.0
93.07626	1.3
95.04935	1.2
95.07976	2.0
95.08593	38.5
97.06507	3.0
97.10149	7.5
105.07015	14.4
107.08575	17.6
109.10136	15.4
111.08087	1.8
111.11651	1.7
117.07021	5.3
117.07760	1.0
119.07724	0.8
119.08551	15.7
121.10126	14.8
123.11706	7.2
129.06996	1.9
131.08560	8.3
133.10109	11.9
135.11681	10.9
137.13213	1.9
143.08577	2.9
145.10103	9.9
147.11665	9.6
149.13240	5.1
151.14758	1.6
153.12790	1.3
155.08505	1.6
157.10120	2.5
159.11697	7.5
161.13231	7.3
163.11234	1.1
163.14810	3.2
165.16360	1.0
169.10118	1.4
171.11687	2.1
173.13249	6.6
175.14830	4.0
177.16394	1.8
183.11588	1.0
185.13286	2.4
187.14813	2.7
189.16324	2.6
191.17938	1.0
197.13269	1.3
199.14848	1.6
201.16359	2.1
203.17935	1.4
213.16435	1.6
215.17757	1.5
219.21141	1.9
229.19446	1.1
241.19585	1.9
243.21056	1.9
245.22697	1.4
259.20657	3.4
261.22055	8.2
263.23642	2.0
275.23651	1.2
279.23059	1.6
287.23718	1.4
297.50354	0.9
301.25674	1.2
317.24719	1.5
333.24216	2.1
335.25769	7.8
337.27448	9.2
339.28915	2.5
357.31299	1.1
470.81158	1.1
523.44855	3.5
531.40308	1.5
541.46124	2.3
552.60864	1.0
597.48651	10.8
615.49731	100.0
616.49951	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	616.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89648	0.9
52.62126	1.0
53.42294	0.8
55.01857	4.1
57.03445	1.4
60.52688	1.0
61.02917	0.9
67.05489	3.8
69.03425	4.8
70.06587	1.8
70.07918	0.9
71.52010	1.0
71.52478	1.0
72.08141	1.3
73.02914	11.7
76.26702	0.8
79.05477	8.0
80.82729	0.9
81.03392	1.7
81.07043	8.1
84.04460	1.0
84.08132	1.3
85.02882	4.1
85.91441	1.1
88.03413	1.4
88.03976	23.2
91.05469	14.9
93.07033	38.8
95.04964	2.7
95.08589	15.7
97.02861	1.2
105.07004	6.4
107.04948	1.7
107.08570	10.3
109.10140	5.5
111.04437	1.3
112.07550	1.2
113.04304	0.9
115.03921	2.1
115.29729	0.9
116.07066	1.0
117.06982	3.4
119.08560	46.4
121.06542	1.0
121.10122	14.3
122.02718	12.9
123.08051	2.5
125.04191	2.2
127.05779	5.2
127.06574	1.0
129.06998	1.5
130.08661	1.3
132.01137	1.4
135.08029	13.8
137.05984	2.6
137.09567	5.4
145.02823	2.6
146.08083	1.6
147.04417	2.7
147.08020	19.6
151.05779	1.5
153.07278	1.3
153.09079	6.0
165.09096	27.2
177.05470	2.8
181.06790	0.9
183.10162	10.4
188.09190	1.0
188.53970	0.9
199.07903	4.2
215.07285	1.5
217.08870	10.8
243.10619	1.3
287.09534	3.4
304.12079	100.0
315.80011	1.0
322.13113	4.1
346.13040	1.2
361.12897	1.1
430.15524	1.9
436.16061	2.1
448.16275	2.7
466.17413	13.0
467.17874	1.0
468.96286	1.0
484.18317	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	615.4416
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63108	0.6
52.06638	0.6
55.05500	3.9
57.03424	2.6
57.07066	100.0
58.04211	5.3
59.04992	35.7
66.44504	0.6
67.05490	4.6
69.07063	4.4
69.22461	1.5
69.22871	5.2
70.07872	0.7
71.04986	1.8
71.08621	75.0
72.05766	6.7
73.02903	4.6
73.06543	8.6
74.06059	0.9
75.04489	0.8
79.05489	1.5
81.03410	1.0
81.07039	5.4
82.07837	1.7
83.04967	1.1
83.08588	4.1
84.08142	1.1
85.06543	2.0
85.10169	64.0
86.07333	1.8
86.10482	0.7
87.04455	10.1
87.08101	3.4
88.05248	2.3
89.06014	11.7
90.01901	24.0
91.05458	1.5
93.07040	1.8
95.04978	1.0
95.08588	4.6
97.10147	3.8
99.08114	0.6
99.11723	14.8
100.08890	1.8
101.06018	2.7
101.09672	2.9
103.07556	5.9
105.07040	1.8
107.07112	0.7
107.08559	1.9
109.10175	2.3
110.10980	1.0
111.11710	1.7
113.13255	3.4
115.07568	1.1
116.08364	2.6
117.09118	13.0
117.09897	1.1
119.07082	0.8
119.08587	1.6
121.08643	0.7
121.10147	1.7
123.11745	1.1
125.09676	1.1
129.09088	1.0
130.08682	2.5
131.07039	1.5
133.08582	5.3
133.10168	1.1
135.10144	1.1
141.16371	1.6
145.08588	0.9
145.10127	0.9
147.10173	2.1
151.09621	0.9
152.15643	2.5
155.17920	11.5
159.11670	1.0
161.11819	1.5
163.11156	0.8
165.11287	1.1
175.11186	0.9
177.11307	2.1
178.07135	4.1
179.12842	1.6
180.12402	1.3
181.12286	1.0
183.17491	2.2
193.14355	1.7
195.12277	0.8
199.20613	1.9
205.14401	0.8
208.15518	2.9
209.13841	0.8
212.21451	2.0
213.22102	17.9
222.09708	9.3
222.11450	0.7
222.17036	2.9
223.15379	3.2
228.20923	0.8
238.16594	1.7
241.21742	1.8
250.20108	0.7
252.18175	2.5
253.16544	1.6
254.24841	1.0
255.16774	0.7
257.25024	1.0
263.18515	0.7
266.12473	2.2
268.17569	2.1
270.25708	2.6
271.26273	6.6
280.21106	1.1
281.19672	2.7
287.25867	0.8
296.20819	1.3
310.14853	0.8
310.22229	3.3
326.21860	2.3
328.15924	8.1
337.27594	0.8
338.25085	1.2
368.26593	1.3
376.34387	2.5
377.29153	0.8
386.20078	4.1
392.33850	1.1
420.36771	0.9
436.36670	0.9
438.13968	0.7
464.39392	13.3
480.39282	0.8
483.38367	0.8
508.42236	1.3
517.38635	3.0
524.41693	2.1
530.39844	1.0
548.40875	0.9
550.96259	0.7
584.76740	0.8
602.30554	0.8
615.44061	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	615.4415
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36831	1.1
55.05498	4.7
57.03415	3.3
57.07068	98.5
58.04214	6.6
59.04993	64.4
67.05489	4.4
68.14236	1.2
69.07048	5.2
69.22211	2.3
69.22614	12.1
71.08624	100.0
72.05746	6.7
73.02905	4.3
73.06553	7.7
79.05474	1.6
81.07038	5.2
82.07827	1.7
83.08613	5.3
85.06528	3.4
85.10169	90.8
86.07325	1.9
87.04446	9.4
87.08105	1.7
88.05251	2.2
89.06025	10.5
90.01904	26.7
91.05474	1.4
93.07030	3.7
95.04968	1.6
95.08588	6.2
97.06509	1.3
97.10155	2.2
99.11710	9.5
100.08884	2.7
101.09625	4.8
103.07552	7.8
105.07013	3.3
107.08593	2.9
109.10153	2.3
115.07545	4.4
116.08337	1.2
117.06960	1.5
117.09128	16.1
119.08554	3.9
121.10144	3.8
122.40659	1.2
130.08632	2.4
133.08575	5.8
133.10097	2.1
135.08008	2.9
135.11658	1.5
138.13982	2.6
141.16354	9.9
145.10130	2.8
147.10197	2.0
159.11700	1.3
161.11772	2.0
163.11153	2.4
165.09073	2.0
169.15887	2.6
177.11276	2.1
178.07104	5.3
179.12727	3.1
181.12292	2.6
184.53748	1.4
194.79337	1.3
198.19809	2.3
199.20551	22.3
219.15948	1.8
221.15358	4.0
222.09706	5.2
227.20076	1.9
237.16879	2.8
240.23285	3.7
256.23874	2.2
257.24701	23.1
266.12311	3.2
267.17801	2.2
284.13409	3.1
295.21136	2.0
324.23792	2.3
325.21732	1.5
340.23267	1.6
342.17349	2.1
394.35385	1.5
464.39459	11.3
510.20181	7.1
517.39038	2.3
524.21448	3.0
539.24078	78.4
540.24420	13.4
583.23212	2.1
615.25641	3.7
615.41968	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	615.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.4
55.01882	1.8
55.05503	18.7
57.03419	4.5
57.07066	19.0
58.07395	2.1
59.04988	9.2
61.02898	1.2
65.03927	3.5
67.05493	37.9
69.03423	15.6
69.07058	24.4
71.01342	1.4
71.04996	1.6
71.08624	15.8
72.08951	3.3
73.02895	2.0
74.30132	1.1
79.05483	23.8
81.03403	13.9
81.07043	56.9
83.04967	3.0
83.08608	12.0
85.02903	13.4
85.06517	2.9
85.10175	13.5
86.10505	2.1
87.04469	2.8
87.08103	1.3
89.06025	9.7
90.06376	2.1
91.05470	25.9
93.07030	40.2
94.07354	1.5
95.04964	9.4
95.08593	51.9
97.02868	7.8
97.06520	3.3
97.10176	5.0
98.20703	2.1
99.04447	3.3
101.06046	1.3
103.03946	1.9
103.07560	1.7
105.04526	1.3
105.07014	36.1
107.04943	2.6
107.08573	43.1
109.02873	6.5
109.06512	3.4
109.10136	40.8
110.87350	1.2
111.04420	3.3
111.11747	1.6
111.88179	1.2
115.03867	2.3
117.07004	9.1
117.09106	1.9
119.08561	45.7
120.01917	1.4
121.06500	1.5
121.10130	42.5
123.08061	4.9
123.11682	37.6
125.09625	2.4
127.03899	5.6
128.06155	1.6
129.05489	2.2
129.06970	8.9
130.07751	2.1
130.08675	1.7
131.08539	25.0
133.07690	1.8
133.08595	5.9
133.10110	36.8
133.11102	2.3
134.08951	1.1
135.08006	1.9
135.11673	27.7
137.09576	2.2
137.13260	4.5
139.11165	1.6
141.07007	3.6
142.07787	4.7
143.08517	16.8
144.09312	3.6
145.06563	1.7
145.10101	30.6
147.08070	2.3
147.11658	18.2
149.09610	2.2
149.13216	14.4
151.07455	1.8
153.12701	1.2
155.08548	7.6
156.09373	3.5
157.10104	24.6
158.10870	2.9
159.11656	25.2
160.08836	1.3
161.09608	1.8
161.13234	14.0
163.11183	2.6
163.14809	7.3
165.09108	2.5
167.08583	2.6
167.10648	2.8
168.09286	1.2
169.10118	12.5
170.10924	2.2
171.11661	21.7
172.12341	1.6
173.09634	1.4
173.13234	21.2
175.11240	2.7
175.14824	17.7
177.11353	2.6
177.12880	1.4
177.16347	8.9
178.27991	1.1
181.10150	4.2
181.12244	1.8
182.10921	1.7
183.08044	1.1
183.11681	11.4
184.12440	1.2
185.09723	1.5
185.13249	16.7
185.18976	2.5
187.11232	1.5
187.14780	18.1
189.12819	1.3
189.16418	4.9
191.17984	1.4
193.10164	1.6
195.11691	5.6
196.12447	1.6
197.13219	10.5
199.14827	13.8
201.16342	7.1
203.17995	3.2
207.11691	2.9
209.13245	3.6
209.15138	1.3
210.13963	1.3
211.14792	8.2
213.16306	7.6
213.18187	1.4
215.17961	5.4
217.19469	2.4
219.17535	1.5
221.13358	2.6
221.15376	6.0
223.14857	3.2
225.12843	1.3
225.16379	5.2
227.17984	8.0
229.19518	3.0
231.21059	1.5
233.15343	1.6
237.16341	2.8
239.18030	4.6
241.19547	4.3
243.23247	4.3
244.23547	2.6
249.12691	1.2
251.17979	1.4
253.19496	2.2
255.21083	5.0
257.18930	1.4
257.22574	2.7
267.21130	2.5
269.22690	5.5
270.23511	1.8
271.20667	1.6
281.22565	1.7
283.24304	1.3
285.22269	1.3
295.24213	2.7
297.22284	2.3
297.25723	1.5
299.23795	2.2
311.23682	3.6
313.25287	3.2
325.25229	1.9
329.24686	1.4
337.25262	1.3
351.26923	1.8
365.28485	2.1
377.28888	1.4
379.30069	2.5
433.34833	4.6
435.36127	12.9
442.13928	1.2
453.37006	3.5
475.30502	4.1
487.30405	2.1
491.30258	2.6
493.31702	4.6
501.31967	1.3
505.32269	1.4
527.34064	1.6
541.35284	2.0
543.38043	2.2
559.36499	1.5
561.39209	4.6
579.40320	13.1
583.41571	1.7
597.41382	43.9
615.42474	100.0
616.42932	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2436
Annotation	Chlorophyllide a
Peak:m/z	Relative Intensity
53.03943	2.5
53.39119	1.3
55.01863	2.1
55.05494	5.5
55.14126	1.4
55.27636	1.3
57.03421	2.8
64.30168	1.3
65.03918	5.7
67.05500	7.3
69.03410	5.9
69.07059	6.8
69.99964	7.6
70.06570	4.8
71.04971	1.9
72.04494	3.7
73.02894	4.5
76.62059	1.2
77.03902	1.8
77.19080	1.6
77.25554	1.3
79.05465	5.2
81.03394	3.1
81.07049	7.5
83.08600	5.1
84.04492	5.3
84.08114	3.3
85.02883	4.7
87.04465	1.7
89.05989	3.2
91.05473	7.8
92.04981	4.3
93.07047	14.1
94.02913	2.5
94.06553	10.5
95.04946	4.6
95.08585	7.4
97.02876	4.7
97.10182	2.2
98.06013	1.3
104.04963	4.3
105.07001	6.9
105.15466	1.3
107.08564	5.7
108.04476	9.5
109.06496	3.0
109.10114	3.1
115.03929	2.7
115.85463	1.2
117.06995	2.6
119.08541	10.8
120.08097	3.2
120.08881	1.7
121.06461	2.5
121.10131	8.9
122.06017	1.8
122.10476	1.5
123.11652	2.0
124.07619	2.2
126.05511	2.3
127.03913	2.8
128.06230	1.5
129.06992	1.4
131.08545	4.0
133.08577	1.9
133.10114	3.8
134.05997	42.4
135.08073	2.7
135.11670	2.3
136.07541	12.5
137.05936	3.5
138.05475	23.0
138.09097	8.7
142.07692	1.6
143.08470	1.9
144.06505	3.7
145.08981	1.3
145.10083	6.1
146.06015	3.8
147.08043	2.3
147.11638	4.1
148.07524	1.3
149.05948	1.7
149.09592	4.4
149.13219	1.5
151.07561	2.2
152.03418	2.9
152.07037	2.1
157.08818	1.7
157.10085	1.8
159.11667	2.3
162.05487	3.2
162.07590	41.5
163.05005	2.9
163.07845	5.9
165.09145	1.8
166.04976	12.9
167.07057	14.1
167.08470	2.0
167.10637	1.5
170.08252	1.6
170.09644	1.7
172.62596	1.5
173.13252	2.1
178.04962	66.0
180.06540	2.8
181.04919	1.6
181.07506	2.0
183.09132	9.2
183.11578	1.5
184.09840	3.6
184.11249	2.7
185.10713	5.4
185.13254	2.1
190.04895	1.7
196.09911	2.8
197.10703	4.2
198.09232	2.5
199.08675	2.4
200.09322	2.0
201.16370	2.7
207.09184	4.4
208.09860	3.4
209.10771	6.5
210.09485	2.6
210.11496	14.7
211.08650	4.9
211.12166	4.9
211.14603	1.7
212.09116	2.1
212.10678	4.8
213.10123	4.8
213.13811	2.7
213.16348	1.3
214.12509	7.0
223.08658	1.8
224.09268	2.1
225.10194	9.2
226.11006	2.5
227.08099	1.5
227.11769	9.8
228.08812	1.7
229.09612	6.5
229.13254	6.3
230.11722	6.2
237.06604	1.7
239.08144	6.3
239.11720	3.7
240.10326	3.8
241.09608	4.6
241.13362	2.0
242.11905	3.4
243.11238	11.1
245.06282	5.5
245.12903	10.7
250.07083	2.3
251.08099	2.1
253.09712	9.9
255.11256	10.9
257.09134	5.1
257.12836	17.8
259.14447	1.7
267.11240	5.7
268.09372	1.8
269.10010	1.8
269.12720	11.6
270.10104	2.0
271.10727	38.0
272.11505	35.2
273.08990	1.4
273.12195	9.3
274.04080	1.7
281.13965	2.7
283.10745	11.0
285.12274	51.4
286.12854	2.3
287.05457	2.3
287.13824	5.5
289.05237	6.9
294.11783	5.0
295.10800	5.8
298.09366	3.8
299.10254	4.9
301.11768	100.0
303.13327	35.1
307.07089	4.3
311.09970	1.9
313.11832	13.4
315.09659	3.8
315.13449	4.6
329.11276	4.6
331.12811	3.1
339.09457	1.7
342.08551	1.5
349.27029	12.2
357.10635	2.5
367.28122	6.0
378.17874	1.5
387.14346	2.7
418.17215	1.7
420.19083	5.9
435.32410	1.4
436.18564	3.6
438.20114	10.0
444.15533	1.7
446.16098	1.4
450.16531	2.9
462.16473	2.2
511.23438	1.6
529.24298	6.9
529.32434	2.6
569.23853	47.2
571.25549	77.3
571.34406	8.8
572.25775	2.0
579.22028	8.0
597.23291	76.8
598.23767	2.0
615.24091	81.7
615.33319	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	615.2438
Annotation	Chlorophyllide a
Peak:m/z	Relative Intensity
50.59558	0.7
53.03927	2.1
55.01847	1.1
55.05481	2.0
56.27111	1.0
57.03406	1.2
61.38910	0.8
65.03922	4.1
66.67073	0.9
67.05495	2.1
69.03402	3.0
69.07069	4.8
70.06561	3.0
71.04967	1.5
71.52717	1.4
72.08128	1.8
73.88206	0.8
76.17923	0.8
77.03895	1.6
79.05469	3.8
80.04996	1.1
81.03373	2.4
81.07037	5.3
83.04977	1.1
83.08599	1.7
84.08108	1.6
85.02886	2.5
85.06541	1.1
86.09702	1.9
91.05456	3.3
92.04987	2.6
93.07023	10.2
94.06547	7.4
95.04946	3.1
95.08574	2.4
97.02855	1.8
97.10139	1.1
97.47176	0.8
99.04453	0.9
104.04959	4.0
105.07021	4.7
105.72419	0.9
106.06520	1.8
107.04911	2.1
107.08564	3.3
108.04462	8.0
109.02863	1.2
109.06489	1.3
109.10141	1.8
109.51486	0.7
119.08544	4.6
119.73330	0.8
120.08096	1.9
121.10126	9.6
122.06000	2.6
123.11623	1.5
124.07620	1.4
125.09560	1.2
127.03884	1.4
131.08546	2.1
132.08005	1.4
133.10109	2.5
134.05989	21.0
135.08038	2.1
135.11668	1.1
136.07565	8.8
137.05946	3.3
138.05463	17.9
138.09102	6.3
140.07036	2.0
143.08510	1.7
144.08052	1.2
145.10092	1.9
146.05991	4.1
147.04398	1.6
148.07466	1.1
149.06052	1.2
149.09583	2.4
150.05437	1.5
152.03409	1.8
153.01797	1.4
155.08551	0.9
156.08043	1.6
157.10110	2.5
160.03920	1.1
161.05899	1.1
161.09569	1.1
162.05482	1.0
162.07607	5.7
163.05013	1.5
163.07738	1.0
164.06995	1.9
166.04964	12.2
167.07030	6.0
167.10629	1.1
169.08830	1.1
169.10133	0.9
170.09682	0.9
178.04955	63.5
180.06558	3.1
181.04893	1.1
181.07478	0.9
183.09154	4.4
184.09816	2.1
184.11232	2.8
185.10744	3.4
186.09131	1.3
186.12842	1.2
187.12364	1.2
190.04987	2.5
195.09416	1.0
196.09888	1.8
197.10710	3.1
197.13301	1.1
198.09186	1.7
198.11517	0.9
199.08791	1.4
200.09235	1.3
201.10251	1.8
201.13945	1.0
202.12202	0.9
207.09200	2.4
208.09862	2.3
209.10678	3.4
210.11481	10.6
211.08653	3.7
211.12276	3.4
212.07115	1.0
212.08989	1.5
212.10934	4.1
213.10213	3.1
213.13811	2.3
214.12434	4.5
215.11781	2.7
218.08110	1.0
223.08690	1.4
224.09406	2.4
225.10161	7.8
226.08704	1.5
226.10828	1.4
227.08089	1.9
227.11618	4.2
228.08911	2.0
229.09659	4.4
229.13228	6.0
230.11736	5.4
239.08163	4.5
239.11830	3.8
240.10196	3.0
241.09737	3.2
241.13283	1.2
242.11736	3.3
243.11266	15.5
244.09663	1.1
245.12842	7.5
250.06975	2.1
251.08142	1.4
252.08792	1.0
253.09677	12.7
254.10458	1.8
255.11243	4.1
257.09259	3.5
257.12827	17.1
259.14310	1.8
267.11179	4.4
268.09717	1.2
269.09274	1.9
269.12839	5.9
270.10068	1.0
271.10733	23.1
272.11490	28.2
273.08951	1.6
273.12244	5.3
274.09290	1.5
279.07578	2.5
279.11057	0.8
283.10788	3.1
285.12277	57.1
287.05453	51.8
287.13855	4.8
293.13794	1.2
295.10629	5.4
297.08719	1.9
298.09399	1.8
299.05518	1.5
299.10092	2.5
301.11789	32.9
303.13327	33.2
307.06964	3.9
311.10272	1.8
313.11816	7.8
315.09769	3.2
321.08496	1.2
329.11298	2.2
331.12979	2.5
333.26068	1.1
339.09460	2.0
342.08554	1.0
357.10803	2.1
378.18390	1.6
406.17661	1.5
420.19385	5.1
430.17548	2.3
436.18845	1.0
438.20099	9.6
444.15421	2.5
450.16541	2.3
529.24646	4.5
537.21075	1.2
553.24298	1.1
555.21558	0.9
569.24072	7.4
571.16205	1.4
571.25372	51.6
579.22577	8.1
597.23315	41.4
615.24298	100.0
616.24518	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	615.213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.0
53.58386	0.5
55.01855	1.5
55.05500	0.8
57.03419	2.4
57.09840	0.5
61.02910	2.3
67.05479	1.8
68.99775	0.9
69.03419	14.7
69.07069	2.5
69.21281	5.9
70.06573	2.3
71.01347	0.6
71.04970	3.7
72.08143	7.8
73.02882	2.5
79.05474	0.8
81.03405	10.2
81.07045	3.6
83.04969	0.5
84.04532	0.8
84.08118	0.6
85.02892	11.9
85.06517	1.0
86.09684	2.7
87.00810	3.7
87.04465	0.7
89.06033	0.6
91.03879	0.7
91.05470	1.3
93.07028	1.2
94.06538	1.7
95.04917	0.6
97.02868	6.1
99.04430	4.7
103.03884	0.6
105.01842	2.2
109.02869	7.4
110.06062	0.7
111.04435	0.6
112.07560	0.8
117.05458	0.8
118.06557	0.8
119.08533	0.9
120.08068	0.5
122.06015	8.2
122.66377	0.5
123.04351	0.6
123.11672	0.6
124.07639	0.6
127.03902	9.2
129.01831	0.9
133.10112	0.7
134.06010	0.6
135.31705	0.5
137.05984	1.1
140.07047	11.4
141.12692	4.2
145.04962	2.3
145.07582	4.0
145.10042	0.7
146.05994	4.5
147.04507	0.6
147.09151	12.3
148.07527	1.6
155.14320	0.7
159.02861	2.1
159.09134	6.1
160.09848	1.0
167.06917	0.7
173.04675	0.8
173.07150	0.6
173.10808	0.7
174.05482	7.9
175.08722	0.9
176.07059	4.4
183.05493	0.8
185.10760	2.6
187.10849	0.7
187.12325	1.1
189.10265	1.0
190.04941	1.6
190.09779	0.7
191.08124	66.9
192.06577	1.0
192.08350	0.9
197.07031	0.7
197.10707	1.7
199.08638	1.4
199.12332	1.2
201.10262	0.9
211.08594	0.8
212.09151	0.6
213.10243	2.9
215.08203	1.3
215.10110	1.1
215.11905	1.5
216.07660	12.5
224.09293	1.0
225.10237	2.2
226.08740	0.6
227.11771	1.6
229.06105	3.6
231.11209	0.6
233.09108	0.7
237.10100	1.3
239.11832	0.7
241.09657	1.1
243.11301	4.3
245.09233	0.9
251.11833	0.6
253.13319	0.7
254.09982	0.5
256.12067	0.7
257.05554	2.8
259.10739	1.0
261.12238	0.9
263.13910	7.5
265.09760	1.7
266.10406	1.2
269.09061	0.9
271.10767	1.9
273.12183	0.8
279.11298	0.8
281.09280	0.6
283.10757	2.0
285.12323	6.6
287.10278	3.0
287.13916	1.8
289.11813	5.6
299.10165	1.2
301.11960	1.0
302.12747	0.8
303.13477	3.0
307.12836	65.5
308.13202	1.3
313.11771	13.1
314.16989	1.5
316.10959	0.8
316.14438	0.8
318.16049	1.0
319.16736	0.8
323.10385	1.0
324.15552	1.2
329.11456	0.7
330.12387	1.6
331.12900	5.6
332.17697	0.8
343.13074	0.8
344.13858	1.3
345.14618	0.9
346.15451	1.8
347.16177	1.5
349.14273	0.8
350.13403	38.9
351.14105	0.8
354.12680	0.6
356.14328	0.7
358.11612	0.7
358.15607	1.7
359.16248	0.8
360.17258	1.4
370.11572	0.9
371.12860	1.5
372.13168	2.8
373.14035	1.1
374.14911	1.4
383.08710	0.8
384.17245	0.7
385.14423	1.1
386.14914	4.9
387.15701	2.7
388.16812	2.9
389.23950	0.5
400.16779	1.1
401.09555	1.0
404.16040	1.9
405.16904	0.9
406.17740	2.2
410.15228	0.6
414.14166	3.9
415.15167	6.9
416.15933	7.5
418.17688	0.8
427.25540	1.3
428.15805	1.0
430.17740	2.0
431.18234	1.1
432.15359	0.9
433.16553	1.9
434.17145	2.1
446.17017	2.9
450.47278	0.6
456.15659	2.3
474.16577	19.3
475.17288	10.8
476.18192	4.5
512.18518	3.0
554.19690	5.7
555.18134	2.8
571.25537	1.1
573.23285	1.1
597.23291	5.4
598.18652	100.0
599.19183	3.7
615.24353	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.4826
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	0.7
55.05501	2.1
57.03431	1.0
57.07066	100.0
58.07405	0.7
59.04992	22.0
67.05492	0.6
69.07066	1.5
69.39922	1.8
69.40357	2.1
71.08620	69.4
73.02930	0.8
73.06537	0.8
81.07018	0.5
83.08605	1.6
84.08130	0.5
85.10170	57.0
87.04456	5.0
89.06017	44.9
89.06824	0.6
91.07607	0.5
97.10139	2.6
99.11718	12.8
101.06017	0.7
101.09681	2.7
103.07572	1.3
107.01854	0.4
107.07043	1.9
111.11681	1.0
113.13261	4.6
117.09109	4.4
125.13320	0.6
130.08603	1.6
131.07024	2.9
133.08582	38.9
135.10017	0.5
147.10124	0.7
155.17917	12.3
169.83124	0.6
175.09604	2.4
177.09660	0.9
177.11191	16.6
183.85612	0.5
191.12746	1.3
213.22107	23.3
214.22209	0.6
219.12122	1.3
220.93445	0.5
221.13789	5.3
235.15077	0.6
239.14702	1.6
254.24681	1.0
265.16476	0.7
271.26266	9.4
283.17285	2.2
309.18805	1.8
327.20071	18.9
360.80704	0.5
367.23227	3.7
385.24231	4.5
415.24979	1.2
425.26996	1.5
597.45709	2.6
614.48212	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	614.4824
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00283	1.2
55.05504	2.3
57.03423	2.5
57.07064	100.0
59.04990	52.2
67.05486	2.6
69.07055	2.8
70.02508	0.7
70.31799	0.8
70.71661	2.4
71.08617	98.7
72.08927	1.4
72.52263	0.7
79.05459	1.3
81.07040	1.8
83.08617	4.3
85.10165	92.3
87.04453	6.6
89.06013	58.8
93.07055	2.5
95.08605	1.4
97.10143	1.6
99.11707	11.3
101.06030	0.9
101.09644	4.9
103.07568	2.3
105.06990	1.8
107.07032	1.6
109.10133	1.7
111.11779	0.8
117.09109	16.0
119.08490	1.2
125.13285	1.1
130.08627	2.5
131.07005	1.6
131.08588	0.9
133.08577	36.7
135.10109	1.1
141.16350	13.0
141.17346	1.2
175.09541	0.9
176.10591	1.4
177.11188	19.6
184.49829	0.8
194.11748	2.6
195.12257	1.0
199.20534	34.1
219.12129	1.2
221.13631	3.6
229.14442	1.2
239.14836	1.8
240.23155	2.9
257.24689	38.1
258.25052	1.0
265.16376	1.7
283.17487	19.6
323.20679	2.3
335.25974	1.2
341.21649	8.2
371.22556	1.5
381.24692	3.1
399.25833	1.7
415.25131	4.3
460.41156	2.1
597.45734	1.4
614.40472	2.3
614.49561	6.1
615.39252	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	614.4616
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	3.4
55.01875	2.7
55.05502	25.0
57.03424	18.5
57.07072	13.9
59.04985	9.1
65.03908	2.4
67.05494	55.6
69.03403	5.0
69.07060	26.0
69.33855	21.4
71.04969	5.1
71.08617	10.9
79.05470	22.9
81.03403	73.3
81.06582	4.6
81.07039	62.8
83.04968	6.7
83.08600	27.4
84.08126	6.9
85.06514	5.5
85.10157	9.5
87.04465	5.2
89.06010	22.8
89.89561	2.3
91.05456	31.2
93.07032	29.4
95.04934	23.7
95.07986	2.9
95.08588	43.7
97.06497	7.2
97.10149	10.7
99.08049	2.8
105.07018	22.7
107.04925	6.6
107.08564	20.3
109.06496	4.4
109.10136	19.6
109.73694	2.3
111.08048	10.4
117.06995	5.5
119.08550	23.2
121.06477	6.2
121.10117	19.6
123.08057	5.9
123.11674	13.3
125.09682	3.5
129.06966	10.5
130.08620	8.5
131.08551	10.5
133.08574	13.2
133.10120	13.4
135.11655	5.7
137.05872	2.2
137.13293	2.7
143.08548	4.0
145.06549	2.6
145.10080	8.8
147.08015	3.5
147.11682	10.3
149.09587	6.9
149.13208	3.6
157.10091	11.3
159.11617	3.2
161.13190	5.1
163.14778	2.5
171.11745	3.0
175.11168	7.1
175.14810	2.6
177.11214	4.4
183.11626	2.6
193.12242	20.5
211.13197	3.0
248.36470	2.2
263.23633	5.6
267.12982	5.0
267.15860	100.0
337.27304	97.7
338.27573	4.3
352.23563	3.1
415.25302	9.5
455.34967	5.2
529.38751	73.5
530.39099	4.6
547.39868	30.9
548.39508	3.2
582.28192	3.6
614.30109	16.0
614.39850	5.9
614.48291	6.7
615.39795	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	614.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	3.8
56.07930	1.1
57.03408	1.7
57.07065	98.3
57.16217	1.2
59.04711	2.0
59.04991	32.9
67.05487	5.6
69.07047	4.9
71.08617	100.0
71.53421	1.4
73.06533	1.6
73.91576	1.1
79.05463	1.7
81.03439	1.4
81.07032	4.4
83.04955	1.4
83.08601	5.3
84.08145	5.8
85.10167	94.5
87.04455	13.4
89.05487	2.5
89.06017	37.9
91.05455	1.8
93.07002	3.9
95.04912	1.5
95.08572	3.1
97.10169	2.7
99.11704	12.5
101.09650	3.1
103.03925	52.8
103.07540	3.5
105.07029	2.7
105.22650	1.1
107.07027	1.7
107.08552	2.7
117.09106	6.0
119.08570	1.7
121.08646	1.8
121.10128	3.7
123.11720	1.2
123.85355	1.1
130.08603	15.1
131.07008	5.7
133.08583	30.1
133.10089	2.4
141.16344	13.2
145.10086	1.8
147.06522	8.1
163.09602	1.7
163.11040	1.2
172.42819	1.0
175.09674	2.7
177.11208	10.4
185.18996	1.1
191.09056	6.8
199.20543	30.1
207.12325	2.7
221.13680	2.6
235.11708	8.6
239.14838	2.1
240.23158	2.3
257.24738	17.0
279.14276	2.0
295.17374	1.7
313.18439	2.1
323.16931	4.4
327.20093	1.3
335.25674	2.1
341.18045	13.1
363.19739	1.3
363.24863	1.3
371.22372	1.3
381.21143	2.7
399.22119	4.6
414.69482	1.3
415.25140	1.8
597.45459	2.8
614.44531	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	614.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56210	0.8
53.03925	1.3
55.05493	6.2
57.03428	1.3
57.07064	100.0
59.04990	21.4
62.63282	0.9
67.05500	7.5
68.05856	1.1
69.03414	2.8
69.07053	6.3
71.04965	2.0
71.08617	86.1
71.53345	1.4
73.02903	13.1
73.06548	2.7
77.39419	0.8
78.19260	0.8
79.05473	6.1
80.38969	0.9
81.03410	2.7
81.07036	12.3
82.07358	1.4
83.04951	2.7
83.08600	5.2
84.08120	3.1
85.02882	2.2
85.06507	1.3
85.10168	66.0
87.04449	14.2
89.06013	42.1
91.05447	6.9
92.05798	1.2
93.07037	8.2
94.07384	2.5
95.04935	2.1
95.08602	8.2
96.08933	1.5
97.02890	1.3
97.06524	1.1
97.10154	3.6
99.11715	10.0
101.09672	1.1
103.03922	59.6
103.07565	6.3
105.07011	5.8
106.07346	1.8
107.07062	1.8
107.08576	7.3
108.08910	1.1
109.06495	4.3
109.10135	6.8
110.10442	1.7
111.04424	2.0
111.08063	1.6
111.11720	1.5
113.13275	3.5
117.07011	2.0
117.09109	3.5
119.07049	1.3
119.08550	6.7
120.08919	2.1
121.08603	1.8
121.10103	6.2
122.10448	1.1
123.08042	3.5
123.11707	2.6
126.17316	0.8
127.14818	2.2
129.07036	1.3
130.08612	8.8
131.03340	0.8
131.07047	6.2
131.08504	4.8
132.08873	1.9
133.08572	33.4
133.10063	5.3
134.10446	2.0
135.08072	2.0
135.11682	2.2
136.12070	1.5
141.16368	1.4
143.08577	2.0
145.10100	5.4
146.10490	1.6
147.06490	9.0
147.10300	0.8
147.11642	2.1
149.09625	1.5
149.13318	1.4
151.07501	1.9
155.17914	7.4
157.10118	2.3
159.11623	1.9
161.13222	1.6
163.09662	2.3
169.10123	1.0
171.11693	2.0
172.12064	1.5
173.13245	3.1
174.13637	1.1
175.09650	4.3
175.14813	2.0
176.15149	1.1
177.11208	14.8
177.12677	1.8
179.08426	0.9
185.18947	4.7
191.09097	8.8
191.14288	3.3
192.14595	1.2
199.14822	1.4
199.20474	2.4
205.10716	1.9
207.12155	4.5
207.13939	1.1
213.12904	1.0
213.22075	7.7
219.12209	1.3
221.13791	3.0
225.05107	0.9
235.11697	9.5
239.14867	1.3
243.23232	2.8
249.13342	1.3
257.24710	6.2
261.22073	1.2
269.15909	2.0
279.14441	2.6
283.17526	3.6
297.15518	2.2
301.16260	1.7
323.17108	1.3
327.20166	2.9
335.25742	1.5
339.20047	2.2
341.17969	1.2
355.19766	1.2
357.21249	1.4
367.19470	3.9
371.22668	1.6
385.20612	15.7
385.25482	0.9
415.25479	1.6
425.23621	1.5
452.35883	1.9
458.30283	1.4
578.39111	2.1
579.40643	1.2
596.40326	2.5
597.45636	2.8
614.43384	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	614.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.9
54.88764	0.5
55.01863	2.4
55.05485	0.9
56.05027	0.5
57.03429	4.8
65.03923	1.1
65.20897	0.5
67.05486	1.7
69.03413	2.0
69.07040	0.6
70.06587	6.7
71.01331	0.7
71.04968	2.1
71.51848	0.5
71.52235	1.0
71.66943	0.5
72.08145	2.8
73.02897	1.5
75.04466	3.2
76.02214	0.6
79.05475	4.8
81.03400	5.7
81.07048	1.3
82.06565	0.7
83.04980	1.1
84.04501	1.8
84.08128	2.8
85.02894	5.7
86.09685	3.3
88.02213	1.3
91.05473	28.4
92.05833	0.6
93.05505	8.2
93.07033	21.2
95.01316	2.2
95.04967	2.7
95.08595	4.1
97.02880	1.0
99.04456	1.1
100.88998	0.5
101.02391	0.8
103.03940	1.2
103.05431	1.3
104.06224	0.7
104.17868	0.5
105.03365	0.7
105.07015	7.5
107.04919	1.3
107.08572	1.8
109.02885	1.1
109.06496	2.2
109.10154	1.5
110.07156	1.2
111.04437	1.5
113.02333	1.3
115.05462	1.1
117.07006	6.8
119.08566	100.0
120.08089	0.5
120.08897	2.0
121.06488	1.6
121.10122	4.8
122.06054	0.8
123.04399	1.3
123.08091	0.6
126.67067	0.5
127.03917	1.1
128.10721	0.6
129.05467	1.6
129.06987	3.0
129.10236	0.7
130.08611	1.2
131.03354	0.6
131.04903	0.6
131.08575	0.7
133.06476	0.8
133.10120	0.8
134.02669	0.6
135.08031	8.1
136.07550	0.9
137.05954	3.1
137.09610	4.0
140.07033	0.7
141.01790	5.3
143.08516	0.8
145.02751	0.6
145.04964	0.6
145.06361	0.8
145.10127	0.7
146.08139	1.0
147.04431	1.3
147.08031	54.3
148.08368	1.6
149.05994	0.6
149.09584	1.5
150.05435	0.8
150.07732	1.6
153.09053	0.7
154.04988	0.5
159.02887	1.1
159.08075	0.7
159.11366	0.6
161.06017	0.8
161.09436	1.0
163.07483	0.9
164.07057	0.5
165.09097	19.9
167.07005	1.7
177.05461	1.7
179.07065	0.6
181.08638	0.6
183.06499	0.6
183.10185	1.3
189.09082	0.7
209.08084	1.7
221.11687	4.6
227.12759	2.7
227.16487	0.7
233.06403	0.5
239.12749	40.4
240.13141	1.3
241.14352	0.8
251.07527	2.9
257.13821	21.7
258.14413	3.6
267.70459	0.6
308.08844	0.5
311.11163	0.7
323.11215	1.3
366.12662	0.6
367.17642	0.7
379.13522	0.5
388.78058	0.5
397.14893	3.6
407.14346	0.7
415.15854	5.0
433.16977	1.5
439.16998	1.1
452.25180	1.0
614.30322	2.4
615.20709	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4813
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
51.38831	0.5
53.03930	1.9
55.01846	0.6
55.05230	0.8
55.05502	15.8
57.03434	5.0
57.07072	4.2
65.03918	1.8
67.05493	45.2
69.07056	16.8
71.04984	1.7
71.08535	1.2
79.05481	27.1
80.05767	0.7
80.60396	0.6
81.07043	51.3
83.04954	1.9
83.08607	8.5
85.06525	1.6
91.04894	1.0
91.05466	20.8
93.07030	33.0
94.07394	0.6
95.04926	3.0
95.08590	43.1
97.06508	2.1
97.10149	5.4
103.05434	0.8
105.07013	22.4
107.08574	22.8
109.06503	1.4
109.10138	22.1
111.08057	1.6
111.11703	0.9
117.06996	8.8
119.08559	22.6
121.10121	18.6
123.08044	1.4
123.11703	9.7
125.09559	0.8
128.06206	0.6
129.06981	3.7
130.07832	0.6
131.08549	16.7
131.09531	1.0
133.09093	1.3
133.10112	19.0
135.11664	14.2
137.09575	0.9
137.13264	3.0
139.11182	1.4
143.08522	6.0
144.09137	0.6
145.10110	15.7
147.11668	13.2
149.09402	0.7
149.13229	9.5
151.11234	0.9
151.14786	1.0
154.23039	0.7
155.08577	1.9
157.10078	5.6
159.11661	13.9
161.13248	9.1
163.14807	3.5
169.10115	2.3
171.11662	5.5
173.13240	9.6
175.14796	4.6
177.16388	1.2
181.10124	0.8
183.11728	2.2
185.13187	4.9
187.14781	6.2
189.16408	2.2
196.35210	0.6
197.13226	2.0
199.14789	3.7
201.16455	2.1
203.14345	0.8
203.17995	1.7
211.14861	1.9
213.16345	1.8
215.17946	2.0
217.15759	0.7
217.19612	0.9
225.16432	1.0
229.19487	1.0
231.21057	0.9
233.19177	0.9
241.19760	3.7
243.21140	2.2
257.19092	0.9
259.20505	7.6
261.22095	10.9
263.23654	1.2
273.22021	1.0
279.23502	0.8
287.23798	1.1
295.22711	0.7
299.23602	1.3
301.25092	0.8
307.22812	0.7
313.25128	1.1
315.26816	0.7
317.24597	1.3
323.25827	0.7
333.24158	5.2
335.25720	16.2
337.27359	8.4
341.28436	1.1
355.30054	1.3
361.27271	1.0
363.29160	0.9
405.30075	0.7
451.35294	0.8
477.35873	0.8
489.35611	1.4
503.37186	1.8
517.38922	1.4
521.43506	5.0
529.39148	1.5
531.40173	1.2
539.44525	2.2
543.40442	2.1
571.44501	0.7
595.47107	10.4
613.48145	100.0
614.48505	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	613.4821
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03932	1.1
54.52563	0.6
55.01865	1.0
55.05256	1.0
55.05506	12.5
57.03423	4.6
57.07069	3.1
61.73264	0.5
61.86441	0.6
65.03931	2.2
67.05497	40.2
69.07061	13.3
71.04969	1.5
71.08627	0.8
79.05486	23.5
81.07050	41.6
83.04992	0.9
83.08607	6.7
84.88129	0.7
85.06525	1.5
85.10178	0.8
91.05471	17.9
93.07035	28.5
95.04963	2.5
95.08598	36.0
96.08920	1.0
97.06515	2.6
97.10154	4.5
98.21497	2.2
99.08064	1.0
105.04482	0.7
105.07019	19.3
107.08585	18.8
107.09291	1.1
109.06541	1.4
109.10144	17.4
111.08071	1.2
111.11719	0.8
117.07006	7.8
119.08569	18.3
121.10133	16.2
123.11697	6.9
125.09563	1.2
129.07010	3.1
131.08557	15.3
131.09520	1.1
133.10110	16.1
135.11682	10.8
137.13252	2.5
141.06973	0.7
142.07753	1.2
143.08534	4.9
145.10114	13.2
147.11676	12.1
149.09618	0.7
149.13217	6.4
150.13651	0.8
151.14755	1.0
155.08563	1.0
157.10117	4.1
159.11673	12.5
161.13226	8.2
163.14836	3.4
165.12769	0.8
165.16341	0.8
169.10199	1.5
171.11679	4.7
173.13245	9.5
175.14839	3.7
177.16376	1.2
183.11710	1.3
185.13206	4.1
187.14792	5.1
189.16360	1.5
191.17889	0.8
192.50735	0.7
197.13239	1.4
199.14861	3.1
201.16455	1.8
203.17966	1.8
211.14793	1.4
213.16422	2.0
215.17996	2.0
217.19534	1.5
223.16966	0.7
225.16356	1.0
227.17996	1.4
229.19493	0.9
231.17572	0.8
231.21198	1.3
233.19006	0.7
241.19681	2.9
243.21127	1.6
245.18971	0.8
245.22839	0.6
247.20451	0.9
259.20502	6.5
261.22128	7.1
263.23752	1.2
271.20728	0.7
273.22134	0.9
279.23209	0.9
285.22342	1.1
299.23605	1.3
301.25180	0.8
313.25217	1.0
315.23407	0.9
315.26871	0.7
317.24963	1.0
323.26208	0.6
333.24231	5.4
335.25751	12.8
337.27368	6.9
341.28391	1.1
355.29886	0.9
373.27390	0.7
379.29913	0.8
415.32083	0.8
489.35782	1.5
503.36975	1.6
517.38727	1.0
521.43628	3.8
529.39099	1.0
531.40796	1.1
539.44440	2.3
543.40381	1.3
595.47168	10.3
596.47662	0.7
613.48193	100.0
614.48615	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	613.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.4
55.05476	0.6
55.29111	0.3
57.03423	4.7
69.03397	0.7
69.28430	2.4
69.28868	1.8
70.06552	0.9
71.04980	35.5
71.97177	0.4
72.08111	0.5
73.02887	0.5
75.04442	1.6
83.04942	0.8
84.08120	0.4
85.02889	33.2
86.09669	0.7
87.04420	0.7
87.57963	0.5
95.04946	4.5
106.73692	0.4
111.04420	0.7
114.13473	0.4
118.68146	0.4
120.08072	0.5
121.02806	1.8
123.04402	25.7
129.05464	7.9
129.10185	0.4
137.02322	6.9
137.03287	0.5
137.05930	0.5
147.04333	1.3
147.06447	1.7
149.02330	0.6
149.05908	0.4
153.01785	2.2
158.75259	0.4
163.03815	0.8
165.01788	1.6
165.05453	4.0
173.05894	0.5
179.89967	0.4
183.02783	0.6
183.06337	0.4
191.03285	0.5
201.05452	0.9
205.01291	0.9
213.05435	0.5
217.01215	1.1
229.04926	2.8
239.03152	0.6
247.05945	0.6
249.11247	0.4
253.05006	1.1
257.04349	3.1
270.05878	0.4
271.05893	0.5
274.04568	0.5
285.03912	1.6
303.04932	65.7
304.05234	2.4
305.05545	0.9
329.02786	3.4
329.06464	2.6
331.04422	1.4
345.05969	1.4
347.03949	4.8
355.04364	5.9
365.06555	0.5
373.05640	1.1
379.08658	0.4
407.07550	18.4
408.07788	0.6
413.08548	0.8
421.09113	0.6
431.09772	0.8
449.08606	9.0
467.09656	100.0
468.10052	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	613.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
54.41257	0.2
55.01854	0.4
55.05500	0.4
57.03420	2.8
60.04516	0.3
61.02913	0.2
67.05485	0.6
68.99783	0.3
69.03403	0.5
69.07031	0.3
70.06574	1.7
70.81337	0.5
71.01329	0.4
71.04979	17.5
72.08137	0.6
73.02905	0.6
75.04462	0.6
78.55656	0.2
79.05470	0.3
81.03411	0.4
81.07030	0.6
83.04961	0.6
83.08578	0.2
84.04475	0.2
84.08138	0.6
85.02888	18.1
85.06514	0.2
86.09672	1.0
87.04472	0.4
88.02218	0.3
89.02529	0.2
91.05444	0.5
93.07034	0.6
95.04947	4.0
95.08580	0.4
97.02876	0.3
98.21519	0.2
99.04436	0.4
103.05457	0.2
105.06999	0.3
107.04921	0.3
107.08569	0.3
109.02868	0.4
109.06503	0.3
109.10119	0.2
110.07150	0.4
111.00771	0.4
111.04440	0.4
117.07064	0.2
119.08549	0.4
120.08047	0.4
121.02846	1.0
121.06496	0.6
121.10135	0.3
123.04405	26.0
124.04749	0.2
129.05458	4.2
129.10181	0.2
131.04935	0.3
131.08620	0.2
133.10123	0.4
137.02310	2.0
137.05957	0.9
145.06335	0.2
147.04382	0.6
147.06483	0.6
149.02345	0.5
153.01797	1.7
154.27451	0.2
155.10609	0.2
158.94693	0.2
161.05988	0.4
163.03891	0.5
165.01805	1.4
165.05450	10.2
167.06993	0.7
173.05951	0.2
177.05501	0.4
179.03357	0.2
181.04958	0.2
183.02919	0.4
187.03915	0.2
195.02910	0.2
196.81778	0.2
201.05423	0.6
219.06577	0.2
229.04918	1.9
231.13660	0.2
247.06024	0.4
257.04443	1.6
257.12518	0.2
274.04675	0.4
285.03922	0.8
286.07941	0.2
303.04922	100.0
304.05255	2.6
327.04742	0.6
329.02759	0.5
329.06500	2.9
331.04449	0.4
345.06061	0.3
352.19690	0.2
355.04327	3.1
373.05444	1.9
407.07574	2.7
449.09235	0.9
467.09686	3.8
468.09940	0.2
513.07050	0.2
613.28186	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	0.9
55.01858	1.0
55.05494	1.0
56.91188	0.3
57.03424	5.6
59.45612	0.4
61.02900	0.7
61.97534	0.4
65.03913	0.6
65.04446	0.4
67.05471	1.0
68.05001	0.4
69.03407	1.1
69.07045	1.5
70.06580	2.1
71.01360	0.5
71.04979	29.9
72.01131	0.3
72.08126	0.4
73.02891	1.9
73.71539	0.4
75.04467	0.9
79.05466	1.3
80.24012	0.3
81.03401	0.5
81.07030	2.0
83.04954	1.1
84.08138	3.8
85.02888	32.7
85.08459	0.5
86.09672	0.9
87.04448	1.2
88.96038	0.4
91.05470	4.3
91.87427	0.4
92.02634	0.5
93.03375	1.3
93.07008	1.3
95.04948	6.2
95.08591	1.4
98.00232	0.3
98.20772	0.8
99.04440	0.5
103.03902	0.4
103.05418	1.3
105.07000	1.1
107.04936	17.9
107.08552	1.2
109.02888	0.7
109.06512	0.9
109.10120	0.9
111.00768	0.7
111.04392	0.7
115.03941	0.8
117.07007	0.8
119.04910	11.4
119.08555	1.0
119.76692	0.4
120.08086	0.4
121.02861	2.3
121.06492	1.3
121.10162	0.9
123.04408	18.7
123.08055	0.4
123.11703	0.4
125.06018	0.6
127.03905	0.8
129.05463	6.3
129.06956	0.4
130.08614	6.7
131.08960	0.9
133.06491	0.8
133.10120	1.1
135.04396	0.4
137.02315	2.4
137.05948	11.1
139.03867	0.5
143.08667	0.4
145.10068	0.7
147.04384	7.8
147.06473	1.1
147.08070	0.5
147.11732	0.5
149.05959	0.4
149.09572	0.5
151.07503	0.6
153.01801	13.7
161.05965	0.4
161.09579	0.6
162.07567	0.5
163.03932	0.6
165.01810	1.3
165.05449	3.7
166.04886	0.4
167.07016	2.8
173.05966	0.9
175.03810	0.6
175.07527	0.5
177.01987	0.4
177.05440	0.6
178.04973	0.9
179.07014	1.8
181.04910	1.6
183.02878	0.5
187.07500	0.5
201.05380	0.9
203.03339	1.1
204.03996	0.5
206.04453	0.5
207.06453	0.4
216.72160	0.4
217.01328	0.4
217.04912	2.1
218.05644	0.4
219.06430	0.4
228.04156	0.9
229.04797	2.7
231.06461	0.5
239.07065	1.3
243.06468	0.4
245.04395	2.1
246.05081	0.9
249.05478	0.5
253.05017	1.1
257.04285	1.8
258.05124	0.8
259.05878	0.8
267.06534	0.5
271.05963	0.6
273.03909	3.2
274.04654	1.4
281.04437	0.6
285.03821	1.8
286.04510	0.7
287.05487	1.5
287.10214	0.7
295.05963	1.0
297.03970	0.6
299.05539	0.5
301.03455	3.6
302.04132	9.6
303.04916	42.9
304.05325	0.6
313.03448	2.4
314.04117	0.5
315.04898	4.0
327.05005	3.0
329.02853	0.5
342.03534	0.5
343.04385	6.1
345.05911	0.6
347.03882	1.1
355.04373	1.0
361.05356	2.1
362.14417	0.4
403.08084	0.9
407.07559	3.4
421.09058	12.8
449.08643	4.3
467.09653	100.0
468.10126	2.0
481.11221	16.6
482.11548	0.7
509.10822	0.7
577.13141	0.4
613.25964	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	612.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84825	0.2
55.05500	0.4
56.05021	1.4
57.03422	0.3
57.07059	0.5
67.05489	0.4
69.07051	0.7
70.61891	0.5
71.08624	0.3
81.07055	0.5
83.08607	0.8
84.08129	52.0
85.08445	0.4
85.10181	0.2
89.06042	0.3
91.05773	0.3
93.07048	0.2
95.08591	0.2
97.10125	0.4
102.81409	0.2
107.45602	0.2
109.79349	0.2
121.06396	0.2
130.08615	100.0
131.09009	0.8
311.25772	3.7
355.06839	0.2
439.15887	0.2
553.20575	0.4
565.90710	0.3
612.38202	0.2
613.22284	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.5031
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
55.05495	6.8
57.03430	3.9
57.07064	100.0
59.04988	43.8
61.58902	0.7
65.03933	1.0
67.05492	12.7
69.07049	5.6
69.23689	8.6
71.08617	70.0
79.05476	8.3
80.05801	1.6
81.07037	14.1
82.07370	2.2
82.58347	1.0
83.08606	5.1
84.08141	1.9
85.06561	1.1
85.10165	62.9
87.04459	2.3
88.83598	0.8
89.06015	10.7
91.05425	7.3
92.05808	1.9
93.07034	10.2
94.07344	1.8
95.04898	1.0
95.08588	10.1
95.22010	0.7
96.08921	2.5
97.07769	0.8
97.10140	4.1
99.11713	13.0
101.09624	5.1
103.07557	2.6
105.07019	8.4
106.07346	2.0
107.08565	6.1
108.08907	1.8
109.10136	4.2
110.10423	0.9
110.42370	0.7
113.13233	4.7
115.07536	1.4
117.06992	3.2
117.09116	14.5
118.07301	1.6
119.08560	6.1
120.08926	1.5
121.10094	4.0
122.10435	1.4
123.08069	0.7
123.11681	0.8
126.52373	0.9
129.07001	2.1
130.08623	3.4
131.08525	5.9
132.08890	2.5
133.08586	10.0
133.10092	3.8
134.10408	1.8
135.11710	2.2
137.05937	3.5
143.08542	3.1
144.08910	0.9
145.10109	3.9
146.10428	1.8
147.11661	3.7
148.11986	1.1
149.13268	1.4
151.09659	1.7
155.17937	10.3
156.09157	0.9
157.10094	1.8
158.10510	1.3
158.11736	1.7
159.11682	3.5
159.13739	1.5
160.11938	1.2
161.11769	1.2
161.13243	2.5
162.13617	0.9
169.10135	1.7
171.11650	2.0
172.11978	1.3
173.13272	2.4
174.13554	1.6
175.13286	1.2
185.13144	0.8
187.14833	1.4
191.12746	3.3
199.14813	1.0
201.16447	0.8
209.13690	2.0
213.22092	22.9
225.15988	0.7
227.18015	0.9
233.17393	1.0
241.19601	1.7
242.19870	1.6
249.16933	1.5
251.39781	0.8
252.18584	0.8
254.24760	3.0
258.19199	0.9
259.20584	2.6
260.20865	3.1
267.17969	2.7
271.26257	28.1
271.29117	1.7
276.90692	1.1
277.18036	1.2
278.18369	1.3
300.24261	0.9
307.21359	0.8
311.29459	0.8
325.22205	1.8
329.30481	3.5
331.92612	0.8
333.24344	1.5
334.24609	2.2
335.25781	1.8
336.26053	2.6
341.13361	0.8
520.41376	1.4
538.43799	1.0
565.91101	2.6
594.45795	2.2
595.47229	1.6
612.46869	27.2
612.58649	1.2
613.47668	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	611.466
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58627	0.7
52.71767	0.8
53.03925	2.2
55.01856	1.9
55.05505	18.0
57.03428	7.4
57.07069	5.1
59.04993	1.7
65.03919	1.8
67.05496	42.8
67.85065	0.9
69.07058	16.3
71.04974	2.3
71.08617	3.4
72.08499	0.7
77.03947	1.0
79.05015	1.8
79.05479	33.2
81.03418	1.2
81.07046	43.1
83.04963	2.9
83.08607	7.5
85.06533	3.1
85.10174	2.2
87.04440	0.9
91.05460	28.9
93.07030	38.8
95.04968	4.3
95.08595	35.9
97.06509	2.1
97.10150	3.3
99.08080	2.3
105.06300	1.6
105.07014	32.0
107.08572	23.0
109.06493	2.0
109.10145	16.3
111.08039	1.4
111.11731	1.1
115.05436	1.5
117.06998	14.1
119.08567	28.4
121.10124	17.9
123.08066	1.8
123.11699	5.1
125.09642	1.8
128.06160	1.3
129.06987	7.6
131.08537	23.1
133.10110	24.5
135.11674	15.3
137.05937	0.9
137.13286	1.2
141.07014	2.6
142.07780	1.6
143.08536	9.9
145.10101	20.9
147.11662	20.5
149.13228	7.1
155.08548	4.5
156.09357	1.6
157.10104	12.7
159.11676	16.6
159.12880	1.5
161.09612	1.1
161.13220	12.0
163.11201	0.8
163.14803	2.7
167.05531	1.1
167.08530	2.0
169.10097	7.5
171.11662	11.4
173.13220	10.9
175.14842	6.0
181.10136	2.2
183.11670	4.9
185.13257	10.8
187.14748	5.8
188.66991	0.8
189.12701	1.2
189.16391	1.5
195.11720	2.6
197.13252	5.3
199.14793	6.7
201.16391	2.5
204.53691	0.8
207.11693	1.0
209.13307	2.3
211.14816	2.4
213.16409	2.4
215.17989	3.3
223.14726	1.2
225.16391	1.7
229.19490	1.9
231.17563	0.9
231.20963	1.9
232.56999	0.8
237.16339	0.8
239.17975	3.2
241.19534	9.5
243.21146	1.7
257.18970	3.6
259.20505	17.3
261.22064	4.6
275.20001	1.4
277.21915	0.9
285.18488	1.0
285.21921	0.9
297.21976	1.2
315.23166	2.5
325.25473	1.0
331.22839	1.2
333.24207	11.7
335.25726	21.5
337.27374	1.4
351.25656	1.2
367.30008	1.2
381.31717	0.9
399.57874	0.8
401.64694	0.9
501.35187	1.0
503.37372	1.4
519.42249	5.1
529.39081	1.4
537.42999	2.4
541.38843	1.9
542.40063	1.3
555.40930	1.2
565.91168	2.0
568.53619	1.1
593.45422	9.0
611.46588	100.0
612.46783	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	611.4663
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35649	0.5
51.21017	0.5
53.03923	2.1
53.04171	0.5
55.01860	1.2
55.05507	12.9
57.03431	4.8
57.07066	5.2
59.04998	1.4
65.03928	2.2
67.05496	35.2
69.03426	1.1
69.07056	12.8
69.46974	4.8
71.04993	1.3
71.08622	2.7
79.05483	20.8
81.03442	0.8
81.07044	35.5
82.07370	0.6
83.04974	1.8
83.08599	6.3
85.06530	1.6
85.10176	1.7
87.04470	0.7
89.06008	1.0
91.05453	22.9
93.07030	29.7
95.04948	3.8
95.08591	29.5
97.06541	2.4
97.10150	3.3
99.08071	1.4
103.05491	0.8
105.04494	1.1
105.07016	24.4
107.08581	19.5
107.09298	1.3
109.06508	1.7
109.10133	11.6
109.10834	1.0
111.08081	1.3
111.11666	0.6
113.09641	0.6
115.05462	1.8
117.06991	9.5
119.08567	21.1
121.10120	12.6
123.08041	0.9
123.11677	3.8
125.09621	1.3
128.06223	1.2
129.05458	0.6
129.06987	7.5
131.08549	16.7
133.10112	16.4
135.08093	0.8
135.11676	11.0
135.12675	0.7
137.13258	1.0
139.11107	0.8
141.07019	2.1
142.07707	1.0
143.08531	8.1
144.09299	0.6
145.10103	16.2
147.11659	13.4
149.13226	4.8
155.08525	4.3
156.09317	1.2
157.10077	9.6
159.11681	14.0
161.13232	10.4
163.11137	0.9
163.14803	2.7
167.08583	1.6
169.10089	5.3
171.11647	9.9
172.27090	0.7
173.13242	9.2
173.14648	0.8
175.11214	1.1
175.14752	5.0
177.12659	0.7
177.16391	0.9
181.10123	1.6
183.11658	4.2
185.13217	6.6
187.14764	4.6
189.16354	1.2
191.17961	0.9
195.11661	1.5
197.13208	3.1
199.14803	5.5
201.16365	3.4
203.17906	0.9
209.13231	1.5
211.14801	2.7
213.16319	3.3
215.17978	1.9
217.19440	1.2
223.14835	1.5
225.16359	2.0
227.17998	1.4
231.21056	1.4
235.14783	0.9
235.16966	0.7
237.16574	0.7
239.17960	1.8
241.19557	8.0
243.21141	1.7
245.19101	0.7
249.16397	1.0
257.18951	4.1
259.20517	17.1
261.22046	3.5
267.21106	0.7
268.97922	0.7
277.21713	0.9
297.22171	1.2
311.23679	1.2
315.23242	1.0
325.25131	1.4
331.22525	1.4
333.24142	10.7
335.25751	21.3
337.27499	1.7
339.26746	0.9
351.25995	0.8
353.28311	1.2
397.30969	0.8
497.35880	1.1
499.37146	0.8
519.41998	4.8
527.37714	1.0
537.43060	3.6
541.38593	1.8
565.91382	1.2
593.45416	9.0
611.46613	100.0
612.46863	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	611.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.0
55.01864	3.0
55.05500	13.3
57.03412	2.6
57.07068	13.5
58.05074	1.4
59.04979	2.4
61.02903	1.5
63.16785	1.3
64.52335	1.4
65.03923	1.7
67.05495	24.5
69.03426	10.3
69.07059	44.1
70.06560	3.3
70.67918	4.3
71.04987	7.0
71.08610	5.9
73.06503	1.5
79.05474	15.8
81.03400	4.8
81.07043	100.0
83.08605	20.4
83.11794	1.4
84.08138	2.5
85.02888	14.2
85.06532	29.4
87.00818	5.6
91.05434	8.7
93.06481	2.5
93.07030	35.8
95.04936	4.0
95.08595	74.4
97.02855	4.5
97.06519	7.1
97.10160	7.8
99.08087	7.8
105.01855	4.5
105.07009	11.1
107.08575	35.2
109.02879	3.0
109.06484	3.4
109.10142	48.3
111.08071	13.0
111.11714	12.0
113.09620	2.8
117.07068	1.5
119.04910	4.7
119.08567	8.9
121.10130	28.0
123.04431	1.9
123.08051	2.2
123.11691	52.1
123.12584	3.5
125.09605	9.1
125.13275	2.6
127.03878	6.8
127.11173	2.6
131.08563	3.7
133.10120	6.8
135.08118	1.7
135.11655	22.2
137.09589	1.6
137.13239	25.8
139.11166	11.4
141.12769	3.7
145.04866	1.6
145.10083	2.3
147.04402	22.0
147.11656	7.1
149.13248	25.7
151.14790	4.4
153.12694	15.4
155.14233	2.3
161.13235	6.0
162.07645	1.5
163.14796	14.3
165.12772	2.9
165.16354	2.5
167.06998	2.9
167.14314	6.5
171.13791	4.4
175.14832	2.7
177.16341	8.0
179.10677	1.5
179.14308	1.7
179.17883	3.6
181.15897	1.8
189.16313	2.1
191.17938	6.7
203.17996	3.3
205.19444	3.3
217.19466	9.1
235.20544	9.8
253.09618	1.5
253.21591	6.6
261.25739	5.1
273.25739	12.3
279.26761	10.0
291.26764	47.9
292.27106	1.7
297.27728	8.9
303.04858	13.0
309.27850	31.3
321.13571	1.4
327.28903	18.3
329.05716	1.8
345.29803	1.9
521.30872	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	611.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.0
55.01859	4.1
55.05499	15.8
57.03432	3.3
57.07054	15.8
59.04984	2.7
67.05492	28.2
69.03415	16.2
69.07055	49.5
70.06573	6.1
70.12952	4.9
70.13359	3.9
71.04980	8.0
71.08605	4.7
72.08144	3.1
73.02907	3.2
73.06517	1.6
79.05473	17.9
79.63429	1.5
81.03399	6.3
81.07043	100.0
83.04985	4.4
83.08603	18.5
84.04492	1.9
84.08123	3.4
85.02892	20.1
85.06528	48.1
86.09690	3.7
87.00822	8.5
88.02216	2.3
91.05428	12.1
93.07024	34.8
95.04971	7.9
95.08588	74.1
97.02877	6.1
97.06496	9.4
97.10155	9.9
99.04448	2.5
99.08074	12.7
103.99821	1.7
105.01854	7.3
105.06998	16.3
107.04918	2.5
107.08571	41.0
109.02875	7.3
109.06503	3.1
109.10138	55.2
110.10499	1.9
111.08070	16.2
111.11692	11.1
113.09639	4.0
117.06992	3.2
119.04917	4.8
119.08552	14.7
120.08126	2.2
121.02825	2.2
121.06490	4.9
121.10132	28.5
123.04449	2.5
123.08048	2.3
123.11681	49.7
124.07552	3.3
125.09603	15.6
125.13274	2.4
127.03905	12.0
127.11174	2.2
129.07071	1.9
130.08606	2.2
131.04898	2.9
131.08566	2.4
133.10094	8.5
135.08012	3.3
135.11659	22.8
136.07579	2.2
137.05934	7.0
137.09575	2.0
137.13223	25.5
139.11147	15.0
141.83641	1.6
145.05003	2.6
145.10118	3.6
147.04373	21.8
147.08049	3.2
147.11662	8.5
149.09589	2.8
149.13231	34.1
151.07544	3.0
151.11098	2.3
151.14816	3.5
153.01768	2.0
153.12706	14.5
155.14322	2.3
157.10048	2.3
159.02864	4.1
159.11739	2.9
161.09653	2.1
161.13272	7.5
162.07605	5.1
163.07565	2.1
163.14813	15.1
165.12744	3.5
165.16356	4.3
167.06990	10.7
167.14320	7.8
169.12273	2.1
171.13748	6.3
173.09596	2.4
175.14793	4.5
177.05431	3.2
177.16408	7.5
179.07051	2.7
179.17957	2.3
181.04883	2.4
181.08572	2.3
189.09190	2.0
189.16367	3.9
191.14204	1.8
191.17918	7.2
203.17880	4.6
205.19493	6.8
207.06438	3.2
217.19444	12.7
223.20558	4.2
235.20517	9.8
249.05936	1.6
253.21646	7.6
261.25699	3.0
273.25754	12.7
279.26761	12.8
291.26736	54.4
292.27267	2.3
297.27783	12.8
303.04898	18.9
309.27805	33.8
315.05109	3.2
327.28848	26.6
345.29956	4.7
364.21600	2.6
465.10498	1.6
579.18939	3.0
611.21045	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1595
Annotation	Rutine
Peak:m/z	Relative Intensity
53.03936	0.2
55.01861	0.2
55.05501	0.3
57.03428	2.9
59.04998	0.1
61.55045	0.2
65.03946	0.2
67.01875	0.2
68.99791	0.4
69.03413	0.4
69.87238	0.7
69.87653	0.2
70.06585	0.5
70.48310	0.2
71.04980	21.6
72.08136	0.2
73.02928	0.3
73.52557	0.1
75.04472	0.7
77.85263	0.2
81.03410	0.3
83.04975	0.6
84.08127	0.6
85.02889	23.2
86.03265	0.2
87.04463	0.5
88.02227	0.1
93.03414	0.3
95.04929	0.3
97.02846	0.2
99.04433	0.2
109.02885	0.3
111.00780	0.5
111.04414	0.5
117.20929	0.2
121.02817	0.9
123.04391	0.3
127.03880	0.6
129.05457	5.5
129.10179	0.3
130.08612	0.3
131.04881	0.2
134.83795	0.2
135.08138	0.2
136.06155	0.2
137.02304	2.2
137.05952	0.2
144.51067	0.2
147.04446	0.3
147.06523	1.2
149.02328	0.3
153.01810	2.5
161.05975	0.5
163.03902	0.6
165.01816	1.4
166.02571	0.2
173.05965	0.2
177.05504	0.3
183.02884	0.6
195.02876	0.2
201.05440	1.1
203.07060	0.2
205.04993	0.2
205.80190	0.1
219.06551	0.2
225.09035	0.2
229.04945	3.7
247.06004	0.6
257.04413	2.2
274.04691	0.6
275.05399	0.4
285.03979	1.3
287.05469	4.0
303.04922	100.0
304.05234	2.5
312.82370	0.2
315.04773	0.4
345.05920	0.3
413.08539	0.4
431.09409	0.2
449.10654	0.7
465.10211	19.0
466.10413	0.7
611.27161	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.3
55.01864	0.2
55.05498	0.3
56.51500	0.1
57.03424	1.6
59.04989	0.2
61.02921	0.5
67.99713	0.1
68.99792	0.3
69.03416	1.2
69.20851	0.5
69.21274	0.7
70.06577	0.5
71.01348	0.1
71.04980	10.5
72.05305	0.2
72.08130	0.2
73.02897	0.4
73.74653	0.1
75.04466	0.5
76.02213	0.7
77.57369	0.1
79.05453	0.1
81.03395	0.9
83.04956	0.5
84.04475	0.2
84.08169	0.1
85.02888	14.9
86.06058	0.2
86.09677	0.2
87.04465	0.4
89.06018	0.1
91.03931	0.2
91.05464	0.2
93.03387	0.2
95.04923	0.3
97.02880	1.3
98.20761	0.2
99.04433	0.4
105.07001	0.1
109.02830	0.6
111.00812	0.6
111.04412	0.3
116.82372	0.1
121.02870	0.8
127.03886	0.9
129.05453	3.8
135.04375	0.1
137.02313	2.2
137.03249	0.1
140.06982	0.1
145.04919	0.9
145.06456	0.1
146.05904	0.1
147.06468	1.2
149.02322	0.3
153.01801	2.8
161.06018	0.2
162.02151	0.3
163.03857	0.5
165.01804	1.5
166.02530	0.2
173.05933	0.2
179.04822	0.4
183.02892	0.5
183.04381	0.2
193.12033	0.1
195.02841	0.2
201.05437	1.0
204.06454	0.2
205.04901	0.2
219.06403	0.2
229.04932	2.7
244.09869	0.1
247.06015	0.7
257.04388	2.0
262.85519	0.1
274.04715	0.6
275.05182	0.2
285.03769	1.1
287.05542	0.3
303.04929	100.0
304.01801	0.2
304.05246	3.4
308.09192	0.5
309.09311	0.4
315.04889	0.1
345.05844	0.4
395.07794	0.1
449.10358	0.2
465.10321	0.9
611.24860	0.4
611.33942	0.2
611.67017	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	0.4
55.05485	0.5
56.05011	0.3
57.03428	1.7
60.04500	0.2
61.02915	1.5
65.03930	0.2
67.05473	0.4
68.05008	0.4
68.99772	0.3
69.03417	1.0
69.07062	0.3
70.06573	2.1
70.09000	0.2
70.09327	0.8
70.87165	0.2
71.01320	0.2
71.04978	10.3
72.05311	0.2
72.08139	1.2
73.02905	0.8
75.04449	0.7
76.02191	0.4
76.38186	0.2
79.05457	0.5
80.38484	0.2
81.03425	1.1
81.07026	0.6
83.04942	0.7
84.04472	0.6
84.08114	1.0
85.02888	15.1
86.06059	1.0
86.09686	1.0
87.04438	0.5
88.02193	0.5
91.03927	1.0
91.05451	0.7
93.03411	0.3
93.07005	0.5
95.04933	0.6
95.08540	0.2
97.02876	1.7
97.06501	0.7
99.04425	0.3
103.05441	0.3
105.07001	0.5
107.04933	0.4
107.08556	0.5
109.02830	0.5
109.10123	0.2
110.07143	0.4
111.00777	0.7
111.04413	0.6
116.06979	0.2
117.05508	0.2
119.04905	0.2
119.08485	0.3
120.08059	0.7
121.02841	0.7
121.06508	0.2
121.10114	0.2
122.02688	0.2
122.05955	0.3
123.04385	0.7
124.07576	0.2
127.03904	1.2
129.05455	3.7
129.10199	0.2
130.06541	0.4
130.08594	0.3
131.04884	0.5
133.10123	0.3
134.02679	0.2
135.04422	0.3
136.07567	0.3
137.02299	2.8
137.05959	1.2
138.05463	0.2
140.07053	0.2
145.04909	0.6
145.06471	0.2
147.04358	0.4
147.06488	1.0
147.07535	0.2
149.02310	0.5
149.05936	0.3
151.03859	0.3
151.07518	0.4
152.07088	0.3
153.01801	3.1
153.05511	0.2
154.02254	0.2
159.07965	0.2
161.05910	0.5
163.03932	0.6
163.07458	0.7
165.01799	1.7
166.02544	0.2
167.06953	0.6
173.05965	0.3
173.09325	0.3
177.05435	0.4
177.09076	0.5
179.06949	0.3
183.02859	0.6
188.06902	0.2
195.02899	0.3
201.05424	1.2
207.06563	0.2
219.02876	0.3
219.06418	0.2
229.04944	3.5
247.05986	0.6
251.07054	0.2
257.04364	2.4
274.04617	0.8
279.72955	0.2
283.09821	0.2
285.03983	1.1
287.05432	0.6
287.18481	0.7
294.11615	0.2
303.04922	100.0
304.05264	3.2
315.04855	0.4
327.05011	0.2
327.12262	0.2
345.05911	0.3
393.20297	0.3
398.17264	0.3
438.16544	0.2
449.10767	0.5
465.10809	0.9
496.19281	0.2
579.24030	1.1
610.63190	0.2
611.20032	0.2
611.27631	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1592
Annotation	Rutine
Peak:m/z	Relative Intensity
55.01859	0.2
57.03433	1.8
61.02890	0.3
68.99754	0.3
69.03417	1.0
70.92903	0.2
70.93246	0.4
71.04983	9.5
73.02910	0.4
73.34022	0.2
75.04453	0.7
81.03401	0.6
82.63445	0.2
83.04945	0.6
85.02892	13.7
87.04450	0.5
90.25330	0.2
91.03919	0.2
97.02892	1.2
99.04436	0.3
109.02853	0.4
111.00775	0.7
111.04400	0.5
116.89051	0.2
121.02814	0.7
127.03862	0.7
129.05466	3.6
136.07565	0.2
137.02325	2.2
145.04973	0.9
147.06465	1.0
149.02264	0.2
153.01778	2.7
163.03891	0.5
164.07092	0.4
165.01830	1.6
166.02550	0.3
173.05972	0.4
179.03296	0.2
182.08101	0.4
183.02867	0.8
183.04362	0.2
201.05498	1.2
229.04959	2.8
247.05972	0.7
257.04413	2.2
274.04663	0.7
285.03952	1.1
303.04935	100.0
304.05289	2.3
305.02319	0.3
345.05817	0.2
465.10141	0.7
618.28467	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.4303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	6.9
55.01860	2.4
55.05497	14.7
57.03421	3.2
57.07049	6.9
59.04975	5.5
65.03919	2.2
67.05491	30.0
68.05810	4.1
69.03416	10.9
69.07051	13.5
70.15190	1.4
71.04984	2.1
71.08612	7.6
71.55022	1.9
71.55426	2.5
79.05471	37.4
81.03411	14.5
81.07043	38.8
82.07384	2.0
83.04944	4.7
83.08605	5.9
85.02885	7.3
85.10166	7.0
87.04433	3.9
89.06017	7.8
91.05415	31.7
92.05785	1.8
93.07024	90.7
94.07364	4.1
95.04953	9.4
95.08587	22.3
97.02866	5.6
97.06494	5.2
97.10136	2.1
99.04440	2.3
105.07012	22.6
107.04932	4.0
107.08571	100.0
108.08895	1.9
109.06488	7.3
109.10142	13.5
111.04427	2.9
111.08067	2.6
114.07287	2.1
117.06976	9.5
119.08566	16.7
120.08905	3.4
121.06427	2.7
121.10134	13.0
123.08054	3.2
123.11667	3.8
127.03947	2.5
129.06973	3.3
130.08620	1.9
131.08533	13.4
133.08597	6.9
133.10089	10.6
134.10446	3.0
135.10655	3.7
135.11670	50.7
142.81163	1.7
143.08537	5.6
145.10098	14.0
146.10387	2.2
147.11617	8.0
149.09570	3.0
149.13222	5.0
155.08501	2.7
157.10120	5.1
159.11659	10.3
161.13242	4.5
163.11215	2.2
164.15048	1.9
167.26845	1.9
169.10106	2.7
171.11632	3.7
172.11961	2.1
173.13243	7.3
179.14250	2.1
185.13254	3.3
186.13486	1.7
187.14757	2.7
197.13271	3.2
199.14809	2.7
209.13127	1.9
211.14679	1.9
239.18004	1.8
257.18958	3.4
258.19440	2.5
259.20612	2.4
261.22083	4.8
275.19992	5.4
276.20413	4.6
291.23132	3.0
299.05972	2.2
303.05017	2.6
303.23251	2.6
336.26373	1.8
351.22720	2.1
355.07114	2.7
369.24057	5.1
381.37277	2.0
387.25174	5.7
405.26318	5.6
462.19766	2.8
476.22290	2.5
477.22299	4.0
532.24200	2.2
550.25360	2.6
598.67517	1.9
610.27386	27.2
610.45380	46.3
611.26996	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	610.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75007	1.3
54.36613	1.0
56.82565	1.0
57.07057	1.8
58.43037	1.1
59.04976	2.0
62.77928	1.2
67.05492	2.3
67.34414	1.0
69.07056	1.7
69.61848	1.5
69.82457	1.4
71.04966	1.2
71.08593	1.5
73.04744	25.3
79.05466	2.3
81.07043	4.9
91.05786	100.0
93.03722	1.4
93.07014	2.3
95.08601	2.5
105.07039	2.1
107.08562	2.2
107.40298	1.2
114.07353	23.0
119.08595	1.4
121.10117	1.7
133.10173	1.5
137.88548	1.7
149.04475	4.7
167.05524	28.5
182.94986	1.2
188.87885	1.1
190.07159	1.5
191.99623	1.3
221.08447	1.7
225.04245	4.2
239.07010	1.9
239.09454	39.6
266.99866	6.2
268.97763	16.0
277.59329	1.3
281.05109	2.2
283.02957	6.6
285.00906	29.5
299.06122	30.9
300.06116	1.2
303.01962	6.2
326.03601	2.2
344.97687	5.4
355.06931	90.5
356.07111	2.9
371.10211	4.9
373.07980	11.8
402.96393	6.5
411.25107	1.4
415.03387	5.7
418.99435	10.3
420.22092	2.0
446.20258	1.5
447.20444	1.8
448.21155	2.6
461.22681	2.4
462.23325	3.7
463.23581	3.7
464.24207	1.9
467.36673	1.5
489.05746	2.5
522.25629	1.5
548.27301	2.3
549.27551	5.4
550.27905	12.7
609.29541	4.7
609.45441	1.6
610.18469	4.7
610.29871	47.2
610.44922	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.1
55.01860	6.6
55.05497	20.3
57.03420	8.7
57.07052	5.8
61.61798	1.8
63.80700	2.0
65.03918	5.9
67.05494	79.9
69.03415	30.8
69.07048	19.1
69.29726	16.8
71.04977	8.2
71.08591	2.3
73.02898	3.9
73.04737	1.9
73.09017	2.0
74.37606	1.6
76.59921	2.0
77.87726	2.1
79.05006	2.9
79.05479	58.2
80.05751	1.9
81.03404	57.7
81.07042	77.1
83.04961	12.3
83.08605	8.7
85.02892	21.4
85.06535	3.4
85.10094	1.8
91.05425	35.7
93.07027	62.8
95.04965	14.1
95.08596	56.5
97.02879	27.5
97.06501	5.5
97.10185	2.4
98.06042	3.6
98.20729	3.7
99.04446	9.7
103.03926	5.3
105.07004	37.6
107.04963	9.8
107.08578	35.8
108.04462	25.1
109.02865	19.4
109.06494	4.8
109.10130	29.2
111.04435	29.3
111.08058	2.8
115.03937	3.1
115.05492	2.4
117.07015	18.9
119.08563	31.4
121.06496	5.8
121.10123	31.5
122.26215	2.0
123.04427	3.7
123.08052	3.6
123.11693	9.1
125.05910	3.3
125.09575	3.5
126.05492	6.2
127.03914	11.5
128.06212	1.9
129.05487	3.1
129.06979	8.0
130.08624	3.0
131.04884	3.3
131.08540	29.2
133.06485	4.3
133.08531	2.1
133.10110	22.7
135.08035	4.3
135.11679	19.5
137.09619	3.3
137.13153	3.0
139.03885	57.7
139.11191	2.2
143.08548	9.6
145.04932	4.0
145.06468	2.4
145.10104	21.7
147.04332	2.4
147.08060	2.8
147.11664	20.3
149.09644	3.7
149.13251	13.1
151.11130	3.4
155.08543	4.7
157.10072	6.2
159.11661	17.5
161.09602	4.0
161.13197	10.6
163.03909	9.0
163.11163	4.8
163.14810	6.3
165.12711	2.2
167.08495	2.1
169.10120	5.3
171.06499	100.0
171.07877	4.0
171.11676	8.4
173.09680	3.4
173.13229	15.8
175.11140	3.7
175.14783	5.1
177.12659	3.4
181.04912	8.1
181.10081	2.1
183.06485	3.0
183.11687	4.4
185.09534	3.0
185.13159	9.1
185.41710	2.0
187.11171	4.0
187.14813	7.1
189.12700	2.4
189.16365	2.4
195.06506	16.7
197.13216	2.7
199.14769	3.7
201.16341	2.8
211.14699	2.5
213.07553	18.6
215.14381	2.7
223.17104	2.1
233.07994	2.9
237.07504	8.0
239.09395	1.9
243.21011	7.4
249.14734	3.5
259.20596	4.4
261.07538	41.1
261.22098	28.2
277.21591	8.3
279.08560	18.0
285.00980	2.9
285.22107	3.9
289.21414	3.8
291.22986	4.7
295.15179	2.5
299.06046	3.2
300.29062	2.5
301.21594	4.7
303.23288	8.9
309.22211	2.6
315.23270	5.5
319.22504	2.3
327.23169	4.9
341.24698	5.1
345.24191	4.0
351.23233	7.2
355.06866	6.0
369.24258	17.9
387.25156	19.7
405.26337	21.3
412.16382	2.2
422.29095	3.7
423.27365	5.2
440.12854	2.0
466.01395	2.2
509.18185	3.4
583.21765	13.5
610.19757	3.5
610.45032	6.0
611.21106	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	609.4502
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
53.03934	1.0
55.01849	1.6
55.05499	12.8
55.99205	0.7
57.03411	2.4
57.07064	6.8
59.04973	1.8
61.72291	0.7
65.03927	0.9
67.05491	20.4
69.07049	12.3
71.04980	0.9
71.08612	3.3
71.54330	1.0
77.39155	0.6
79.05053	1.1
79.05474	13.7
81.07034	20.6
83.04981	1.8
83.08601	5.8
83.46586	0.7
85.06527	1.5
85.10165	2.6
87.04453	1.7
89.06004	4.4
90.03815	0.7
91.05434	10.4
92.57095	0.7
93.07022	14.2
95.04941	2.0
95.08588	19.0
95.52257	0.8
97.06521	1.8
97.10146	2.6
99.08073	0.8
105.07001	12.1
107.08572	9.7
109.06505	1.8
109.10136	7.4
111.08064	1.4
111.11732	1.1
114.07403	0.9
115.05441	1.1
116.06206	1.0
117.06992	6.2
119.08560	9.3
121.10114	7.1
123.11688	2.3
125.09586	1.4
128.06195	1.5
129.06972	9.1
131.08539	11.0
133.08594	3.3
133.10114	9.1
134.10487	0.8
135.11671	5.2
141.06932	3.8
142.07771	2.9
143.08534	12.4
145.06578	0.8
145.10088	11.9
147.11638	5.5
149.13232	2.1
154.07739	0.9
155.08533	10.8
156.09291	1.3
157.10083	11.6
159.11653	7.3
161.13196	3.5
163.14775	0.8
165.06970	1.3
167.08527	4.1
168.09358	0.9
169.10077	12.6
170.10837	0.8
171.11668	9.6
173.13240	5.4
173.35991	0.8
175.14777	1.4
177.11270	1.0
179.08501	2.1
180.09296	1.5
181.10069	7.4
182.10915	1.1
183.11646	9.7
184.12338	0.9
185.13190	7.1
187.14746	3.9
193.10091	2.9
195.11676	6.6
197.13217	9.1
199.14851	5.3
201.16379	1.3
207.11736	3.2
209.13200	7.1
211.14746	5.6
212.15529	0.8
213.14612	1.0
213.16397	3.1
219.11769	1.1
221.13324	3.0
223.14847	5.1
225.16388	4.3
227.17976	2.2
233.13199	1.1
235.14796	1.1
237.16411	3.1
239.17992	2.9
251.17973	2.2
253.19621	1.3
257.19086	1.3
261.16278	1.0
263.17987	1.1
265.19513	1.3
268.97659	0.8
275.20062	1.5
295.20401	0.9
314.05078	0.7
321.22095	0.9
323.23608	1.4
339.23254	1.0
351.26819	1.3
355.07263	1.1
365.28549	1.0
367.26303	0.8
435.32703	0.9
447.32492	1.1
501.35675	1.1
504.51868	0.9
517.40350	10.3
518.40796	0.9
535.41333	5.1
553.40582	0.9
555.41675	1.2
591.44000	12.2
609.26904	4.7
609.45007	100.0
610.45599	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	609.4498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.9
54.41277	1.0
55.01865	6.6
55.05252	1.8
55.05499	20.2
57.03428	2.8
57.07049	2.4
60.19080	1.1
65.03923	4.0
67.05495	51.0
69.03394	2.2
69.07056	28.6
71.04980	1.8
71.08615	1.7
71.55170	1.7
73.06554	1.0
79.05480	45.8
81.03403	3.9
81.07043	66.4
83.04967	6.7
83.08595	7.9
85.06512	2.2
85.10170	1.4
85.36500	1.1
91.05457	54.9
93.07027	55.9
95.01322	8.9
95.04957	12.9
95.08588	40.1
97.06524	11.4
97.10150	3.8
99.08087	1.3
103.05467	1.3
105.04521	1.5
105.07011	63.8
107.04943	14.5
107.08581	23.9
107.50436	1.0
109.06506	6.5
109.07175	1.0
109.10130	12.6
111.08078	2.4
114.12755	1.1
115.05431	1.8
117.06999	15.2
119.08563	34.8
121.06473	2.9
121.10130	16.4
123.04405	2.3
123.08045	4.0
123.11665	2.5
125.09631	1.7
129.06981	2.3
131.08543	24.5
131.09499	1.7
133.10107	34.3
135.08037	3.9
135.11662	11.4
137.09615	2.6
139.07512	1.6
141.06938	2.0
143.08562	3.3
145.06459	1.2
145.10112	17.0
147.08043	1.8
147.11644	15.6
149.09584	6.4
149.13263	8.2
157.10136	2.5
159.11697	12.1
161.13177	6.8
163.11115	2.6
165.09071	2.4
165.12787	1.2
169.10088	1.4
171.11668	2.7
173.13246	5.5
175.11111	1.2
175.14833	1.5
177.12729	3.5
179.14267	15.9
183.11687	2.5
187.11172	2.4
195.13748	1.4
197.13272	1.9
203.14249	1.2
205.12219	1.4
219.17413	11.2
229.19405	1.9
239.17944	2.9
247.20596	4.2
257.18964	7.8
261.22064	1.9
275.20010	100.0
293.21048	7.1
299.06128	1.6
304.59082	1.3
331.22705	2.2
335.26031	2.8
349.23779	2.7
349.54053	1.2
355.06790	1.5
437.94290	1.1
447.20676	1.5
463.23969	1.3
549.27191	3.9
609.30255	18.3
609.44983	95.6
610.45294	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.9
54.70290	1.4
55.01854	2.6
55.05499	17.5
57.03421	3.3
57.07068	8.3
61.02922	1.8
64.54874	1.4
67.05490	24.6
69.03408	12.5
69.07053	56.9
70.06574	2.6
70.85118	3.2
70.85490	3.2
71.04980	8.5
71.08607	2.9
72.08138	1.8
73.02885	1.7
79.05466	15.0
81.03401	8.1
81.07040	100.0
83.04948	5.1
83.08600	18.2
84.08102	2.5
85.02892	15.8
85.06523	23.4
86.09685	3.0
87.00807	6.6
91.05445	15.1
93.07024	42.7
95.04945	8.7
95.08586	57.2
97.02876	6.1
97.06519	10.4
97.10143	5.4
99.08074	5.3
105.01831	6.9
105.06303	1.9
105.07007	41.4
107.08572	37.7
109.02866	5.8
109.06495	7.2
109.10128	42.3
110.07164	2.0
111.04355	1.7
111.08063	7.6
111.11691	11.7
113.09645	1.9
115.05402	1.9
117.06989	2.7
119.08557	19.6
121.06480	3.7
121.10111	46.1
123.08066	3.8
123.11676	85.7
125.05921	2.5
125.09605	5.1
127.03870	10.6
131.04958	1.9
131.08560	5.7
133.10098	13.7
135.08020	2.8
135.11673	21.7
137.05937	3.2
137.09569	4.5
137.13248	11.8
139.11131	12.3
145.04886	3.6
145.06458	2.4
145.10028	8.6
147.08029	1.7
147.11668	29.5
149.09593	1.9
149.13258	17.0
151.07596	1.8
151.11127	13.9
151.14755	3.0
153.12720	13.7
157.10121	2.8
159.11673	6.9
161.05994	2.7
161.09618	1.9
161.13206	8.7
163.07468	2.1
163.11160	4.0
163.14772	8.8
165.12717	36.6
167.07037	12.5
167.14255	8.1
167.50151	1.5
169.12184	14.0
173.13249	5.9
175.14771	8.3
177.12694	2.6
177.16364	5.1
179.14230	3.0
181.04892	4.0
181.08571	4.1
183.13763	3.2
183.27835	1.5
187.14784	3.7
188.10672	2.2
189.08990	2.2
189.16289	4.8
191.06993	5.1
193.15904	2.8
201.16310	4.9
203.17929	6.0
215.17937	5.8
229.19493	2.3
231.04871	3.1
231.20862	2.5
233.19124	2.3
239.19917	1.9
245.22591	6.5
249.22049	2.1
259.24146	3.8
271.24152	20.2
277.25174	13.7
287.05420	1.8
289.25192	78.8
295.26245	6.2
307.26245	84.5
325.27286	6.5
490.32370	1.7
501.28159	3.0
519.29132	3.3
555.31299	3.4
577.20612	5.6
609.23157	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	609.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.8
55.01850	5.3
55.05505	19.5
56.66150	2.2
57.03408	3.4
57.07054	9.7
57.51434	2.1
59.04978	3.3
62.63031	2.6
67.05492	22.9
69.03418	16.3
69.07059	72.7
70.06577	5.2
70.98164	4.9
71.04976	13.0
71.08627	3.6
73.02900	4.1
74.35539	2.3
79.05484	19.5
81.03389	11.8
81.07041	100.0
82.07350	3.4
83.04960	9.6
83.08597	19.6
84.08110	4.0
85.02887	27.3
85.06526	23.1
86.09654	2.2
87.00796	12.7
91.05446	16.8
93.07025	51.1
94.07327	3.9
95.04960	24.2
95.08588	83.1
97.02864	11.8
97.06493	13.0
97.10147	8.3
99.04443	7.1
99.08068	8.4
100.23693	2.2
105.01851	12.8
105.07025	27.6
107.04932	2.6
107.08570	40.8
109.02853	9.9
109.06494	9.8
109.10136	53.9
111.08067	10.2
111.11699	16.4
115.07602	2.0
117.07008	4.2
118.55703	2.0
119.08561	24.1
119.96951	2.3
121.06461	5.3
121.10123	34.5
123.04420	2.3
123.08001	4.7
123.11677	33.1
124.11993	3.3
125.09604	6.5
127.03876	19.9
127.07552	2.1
127.11177	6.8
131.08527	8.5
133.10121	20.0
134.10384	2.4
135.08011	5.7
135.11665	21.5
137.05983	6.7
137.09584	7.7
137.13225	14.8
139.11153	18.0
141.12672	2.6
143.08522	4.0
145.04918	5.8
145.10115	11.7
147.04326	2.7
147.11665	19.8
149.06062	2.7
149.13226	24.9
151.11188	3.4
151.14815	5.5
153.12743	5.2
157.10085	3.2
157.12291	2.3
159.02832	5.1
159.11681	18.2
161.13223	10.0
163.14799	7.3
165.09117	2.8
165.12704	4.8
167.06992	4.8
167.14322	2.8
173.13223	6.8
175.14760	6.5
177.05515	2.5
177.12642	2.6
177.16319	4.3
179.14304	3.3
185.13202	2.9
187.14798	4.1
189.12762	2.7
189.16367	8.3
193.15916	2.6
201.16339	6.6
203.17906	8.4
213.03729	2.5
215.17896	8.1
231.04895	5.0
233.18973	11.1
237.18456	2.7
251.20068	18.7
263.23593	5.0
264.34836	2.4
269.21133	2.7
271.24191	7.8
277.25171	6.8
287.23724	4.3
289.25165	26.1
295.26263	26.4
305.24808	4.3
307.26248	84.6
323.25772	2.8
325.27301	33.7
343.28387	5.5
446.22418	2.4
577.20270	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	609.347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.6
55.01846	3.3
55.05265	1.3
55.05505	20.0
56.68504	0.9
57.03436	5.2
57.07071	7.4
59.04984	2.8
61.02905	1.8
65.03915	1.8
67.05495	29.4
69.03416	9.6
69.07055	41.7
70.06564	3.9
71.01338	1.7
71.04990	5.9
71.08630	1.9
71.54674	1.4
72.08131	1.6
72.83074	1.0
73.02913	4.5
73.06556	0.8
74.28618	1.0
79.05479	17.0
81.03392	4.1
81.07041	100.0
82.07341	1.0
83.04984	4.5
83.08607	11.1
84.04451	0.9
84.08134	2.5
85.02413	1.5
85.02891	14.8
85.06530	12.0
85.10140	0.8
86.09670	3.2
87.00793	2.3
88.02148	1.1
90.05685	0.8
91.03926	0.9
91.05457	13.3
93.07027	39.0
95.01298	3.3
95.04943	7.6
95.08590	78.6
97.02886	5.0
97.06509	8.2
97.10152	17.7
98.09623	0.8
99.04416	2.2
99.08070	4.5
100.11217	1.4
103.03917	4.9
103.05426	1.3
105.01825	1.9
105.07011	22.7
107.04922	1.5
107.08573	43.0
108.61156	0.8
109.02831	3.5
109.06491	4.8
109.10136	38.3
111.04393	1.7
111.08056	12.8
111.11692	8.5
113.02372	1.2
113.05965	0.8
115.05421	0.9
117.07001	2.2
119.04939	1.4
119.08566	17.9
120.08059	1.3
121.06468	3.0
121.10118	28.2
123.08022	3.3
123.11683	60.6
125.09595	5.5
127.03876	4.5
127.07568	0.9
127.11135	1.7
129.06937	1.2
130.08585	1.3
131.04887	1.9
131.08548	5.0
133.10098	15.9
135.08009	2.6
135.11665	19.3
136.07484	1.1
137.05940	4.1
137.09590	5.0
137.13239	17.1
139.11151	14.0
141.01826	4.3
141.06897	1.0
141.12718	3.6
143.08527	2.7
145.04903	1.5
145.10071	6.5
147.04381	2.3
147.07996	1.5
147.11664	15.8
149.09622	4.5
149.13231	38.3
150.05492	1.1
151.07524	2.5
151.11168	4.9
151.14726	1.7
152.03627	1.0
152.31105	0.8
153.12708	9.2
155.14244	1.2
157.10083	3.3
157.12192	3.0
159.02908	1.9
159.08041	1.3
159.11649	6.4
161.05943	1.7
161.13223	10.7
162.07603	1.0
163.07524	1.2
163.11081	2.2
163.14812	9.1
165.12692	4.4
167.07062	5.1
167.14272	2.1
169.10048	1.7
169.12238	1.7
171.08110	1.1
171.11636	3.0
171.13773	1.7
173.13313	5.2
175.03897	1.1
175.11125	1.4
175.14761	5.2
177.05458	2.5
177.12648	1.6
177.16353	4.6
181.04866	1.5
181.08537	1.5
185.13136	1.7
187.13255	3.8
187.14792	2.7
189.09074	1.3
189.16400	4.6
191.06950	1.9
191.14261	2.2
191.17914	1.7
193.08498	1.0
195.17407	1.2
197.09492	1.0
201.16394	2.2
203.12704	2.2
203.14436	1.2
203.17921	3.2
205.12202	1.6
207.17374	1.2
209.15282	1.4
213.16351	3.3
215.10704	1.0
215.17943	2.2
217.19475	2.5
221.18993	1.8
225.73097	1.1
229.14240	1.2
231.04994	1.2
231.13974	0.9
231.17355	2.4
231.21042	1.6
233.18935	1.4
235.17020	1.4
235.20401	1.8
239.19987	1.9
241.14319	8.7
243.15855	28.6
247.23918	1.1
249.18369	3.4
255.15942	3.0
257.22543	1.1
259.15414	6.0
259.24268	1.9
265.08469	1.2
267.16013	1.3
269.22559	4.1
271.24164	3.1
273.16965	1.6
275.23730	4.8
277.25272	3.8
287.10226	1.0
287.23676	11.2
289.25082	5.3
293.24738	4.1
295.26071	1.3
297.11237	1.0
297.20718	0.9
304.15302	0.8
305.21274	1.8
305.24704	25.7
307.26297	9.5
315.12189	1.2
323.25781	7.3
325.27353	2.4
327.21487	1.5
355.07211	1.0
367.28348	18.5
379.28384	31.7
381.23032	0.9
385.29282	3.7
397.29422	38.0
398.29892	1.1
401.18027	1.2
415.30475	9.2
463.26620	1.0
537.30927	2.2
543.31720	2.6
555.31268	2.7
573.32361	2.3
577.20276	1.2
591.33673	1.6
609.20618	1.5
609.30383	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	609.2696
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
53.48379	0.3
64.78470	0.3
67.05501	0.4
69.64434	2.3
79.05496	0.4
81.07061	0.4
83.85715	0.3
91.05469	0.4
93.07072	0.3
98.21493	0.4
122.19568	0.3
197.10732	0.4
209.10870	0.4
223.12454	0.5
224.12930	0.4
225.13835	0.3
232.55391	0.4
237.13870	0.4
275.19992	0.4
353.70041	0.3
376.16916	0.4
377.17636	0.4
389.18478	0.9
390.18689	0.6
391.19125	1.7
392.19699	1.6
400.16928	0.3
401.17737	0.9
404.20135	1.0
405.16272	0.5
405.20911	2.3
406.21490	2.4
407.22238	3.1
413.17471	0.6
414.18369	0.5
415.19073	2.2
417.21103	0.5
419.23016	1.6
420.23453	0.8
421.23877	3.6
422.24591	0.4
427.19034	0.7
428.20047	0.5
429.20920	3.0
430.21655	1.8
431.17697	0.4
431.22748	0.7
432.18896	0.5
433.20166	1.5
434.20898	0.5
442.21698	0.6
443.22690	0.9
444.23050	1.4
445.20258	1.2
446.20676	0.6
447.18127	1.9
448.18488	0.7
449.23337	1.4
451.20786	0.5
452.22223	0.5
456.19177	0.4
457.24536	1.8
458.25415	0.5
459.21646	2.4
460.22482	1.4
461.18887	4.4
462.20160	2.2
463.20700	1.5
470.21228	0.5
471.17883	0.6
472.22491	1.2
473.19293	0.7
474.20532	1.4
475.20901	6.6
476.21631	5.4
477.22321	3.9
478.23169	0.7
485.23434	9.6
486.20099	3.4
487.24771	1.2
488.21887	1.0
489.22849	5.4
493.26599	0.4
494.26682	0.7
497.23337	0.6
499.21207	2.2
500.22034	1.6
503.24426	6.0
504.25714	1.6
505.22586	0.4
507.24277	0.7
513.22699	1.4
515.24335	8.7
517.22186	0.9
519.23694	0.4
521.25983	2.6
525.52350	0.3
531.23822	14.9
532.24310	0.8
533.25159	0.6
535.23346	1.0
541.22168	0.8
549.24664	2.0
550.25458	4.8
559.23474	5.8
563.26685	0.6
577.24304	1.4
591.25891	25.2
592.26324	0.9
609.26929	100.0
610.27435	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	609.27
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
50.89833	0.4
55.05508	0.7
57.07051	2.0
59.04985	0.8
67.05480	1.6
71.08601	1.5
71.53725	0.8
79.05470	1.1
80.75932	0.5
81.07035	2.0
85.10170	1.1
87.04472	0.8
89.06000	2.0
91.05430	0.9
93.07024	1.2
95.04969	0.5
95.08591	1.0
104.73141	0.5
105.07018	1.0
107.08569	1.0
109.10166	0.8
119.08604	0.9
133.08592	0.9
145.10068	0.6
147.11676	0.6
155.37053	0.4
169.12250	0.5
218.80452	0.5
224.84666	0.4
275.20172	1.0
374.15482	0.5
376.33044	0.6
388.16666	0.5
389.18018	0.6
390.18359	0.7
391.19058	0.8
392.20334	0.6
401.47482	0.5
402.18192	0.7
403.19144	1.3
404.20105	0.8
405.20691	1.7
407.22101	1.1
415.19284	0.9
417.16159	0.7
417.20786	1.7
418.17529	0.8
419.22812	3.0
420.22934	1.3
421.23505	0.8
430.17859	1.5
431.17923	2.5
432.18933	1.1
433.19962	5.7
435.21634	0.6
443.18887	1.4
444.19446	1.7
445.19781	4.6
446.20963	3.4
447.21936	3.9
448.22137	2.0
449.22754	0.7
458.20776	3.5
459.21680	3.9
460.22797	2.3
463.21136	1.5
473.23190	1.9
475.20743	1.2
476.21637	0.9
477.22745	1.7
489.17957	0.8
491.20566	0.6
493.21295	0.5
503.24423	0.6
505.22171	1.3
518.23096	3.2
519.23743	8.0
520.24219	1.3
521.24744	2.2
531.23932	1.0
532.24445	1.2
549.24750	6.5
550.24786	0.7
563.25586	0.9
579.25696	0.6
581.26532	0.6
591.25897	10.5
609.26855	100.0
609.44263	2.8
610.27466	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	609.2699
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
57.07053	0.2
67.05499	0.3
70.12267	0.7
70.12662	0.4
79.05470	0.6
81.07034	0.4
89.06039	0.3
93.07038	0.4
95.04919	0.3
97.65302	0.2
105.07035	0.3
109.10114	0.2
115.45772	0.2
119.08547	0.2
133.08653	0.2
139.63184	0.2
149.09610	0.5
157.91666	0.2
168.89941	0.2
209.10857	0.3
211.12349	0.2
223.12325	0.3
224.13031	0.2
225.14050	0.2
237.13858	0.4
238.14572	0.2
239.15356	0.4
275.20132	0.3
276.85504	0.2
297.12625	0.2
329.47430	0.2
362.16010	0.2
376.17407	0.4
377.17612	0.7
378.19003	0.3
389.18585	0.6
390.18353	0.9
391.19293	1.4
392.19800	1.0
393.20999	0.4
400.17126	0.3
401.17578	0.6
402.18820	0.4
403.19250	0.5
404.20300	0.8
405.20917	2.6
406.21616	1.2
407.22150	2.4
408.22974	0.2
413.17941	0.3
414.18600	0.5
415.19205	1.5
416.19891	0.4
417.20605	0.6
418.22052	0.4
419.17838	0.3
419.23206	0.9
420.22998	0.6
421.23880	3.4
422.24512	0.4
427.19696	0.4
428.20084	0.5
429.20831	1.8
430.21741	1.0
431.18604	0.7
431.23203	0.4
432.19537	0.6
433.19836	1.0
433.24225	1.0
434.25153	0.3
435.21814	0.4
441.20749	0.3
442.21442	0.3
443.22275	0.6
444.23019	0.8
445.20587	1.0
446.20944	0.7
447.17178	1.9
448.18301	0.9
449.23190	0.7
451.21774	0.2
452.21906	0.7
457.24719	1.1
458.25241	0.4
459.21909	2.1
460.23300	1.6
461.19119	4.9
462.20212	2.1
463.20801	1.1
464.21738	0.2
471.17673	0.3
472.22827	0.5
473.19128	0.5
473.24673	0.3
474.19717	0.9
475.21054	7.4
476.21747	4.9
477.22427	4.0
478.23553	0.9
479.24179	0.8
483.18338	0.3
485.23541	6.0
486.19794	2.5
487.20770	0.6
487.25980	0.4
488.22018	0.8
489.22815	4.7
490.23578	0.4
493.22345	0.7
494.26950	0.6
497.23218	0.7
499.21185	3.8
500.21909	1.5
501.22073	0.2
502.23782	0.4
503.24435	6.4
504.24716	1.2
505.22375	0.9
507.23834	0.8
513.22949	1.1
515.24414	6.1
517.22156	2.1
518.23248	0.6
521.26056	3.0
522.26196	0.3
526.25720	0.4
531.23853	9.0
532.24335	0.7
533.25366	0.4
535.23218	0.7
541.22235	0.6
548.24268	0.4
549.24841	2.3
550.25708	5.0
551.25879	0.3
559.23389	5.1
560.24011	0.3
563.26508	1.3
577.24390	1.9
591.25934	9.5
592.26172	0.6
609.26965	100.0
610.27289	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	608.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.1
55.01853	1.9
55.05498	11.2
57.03432	2.8
57.07069	6.8
59.04972	2.1
61.02917	1.1
63.00351	1.0
67.05490	12.8
69.03416	9.6
69.06676	1.8
69.07054	36.5
69.07416	2.6
70.06551	1.7
70.82790	3.6
71.04976	4.7
71.08607	2.6
73.02896	2.0
79.05473	9.0
79.25084	1.0
81.03412	6.9
81.07040	37.1
82.07366	1.5
83.04956	4.1
83.08598	15.8
85.02888	16.8
85.06516	3.6
85.10114	1.3
87.00813	3.1
87.04462	2.4
91.05463	10.9
93.07025	75.4
94.06564	1.4
95.04943	17.5
95.08587	37.2
97.02868	6.8
97.06506	6.6
97.10131	6.3
98.03167	1.2
98.21188	1.4
99.04425	1.8
99.08074	2.1
100.77985	1.1
105.01849	2.5
105.07018	15.5
107.08585	22.2
109.02835	3.6
109.06496	3.2
109.10134	20.8
111.08051	12.9
111.11706	3.4
117.07015	2.0
119.08554	13.1
120.08896	1.3
121.06506	2.6
121.10127	28.8
123.08033	5.8
123.11675	17.6
125.05971	1.2
125.09612	3.0
127.03903	7.1
128.10686	1.6
129.05440	2.0
130.08566	1.3
131.08554	4.2
133.08609	1.8
133.10091	5.6
135.11690	8.1
137.09630	2.5
137.13216	4.1
139.11162	5.0
140.10678	3.7
141.09088	1.3
145.04889	2.1
145.10098	5.2
146.26053	1.0
147.04356	1.7
147.08014	2.4
147.11691	4.0
149.06107	1.0
149.09567	4.9
149.13206	14.2
151.11163	2.5
153.20984	0.9
159.02916	1.3
159.11655	7.3
161.09589	1.6
161.13243	5.3
163.07397	1.3
163.11179	3.1
163.14784	3.9
165.09131	1.6
167.10635	3.3
167.14305	3.4
168.06601	1.1
170.98763	1.0
171.11588	1.2
173.13232	2.5
175.14792	2.9
177.12679	2.5
177.16379	2.7
185.15335	6.0
187.14870	1.6
191.17830	2.1
201.16403	1.3
209.18968	2.9
215.17958	3.2
231.04787	1.5
261.25818	2.6
271.24207	8.3
289.25186	20.8
295.26239	10.3
297.89838	1.1
307.26251	100.0
308.26605	1.7
325.14047	1.2
325.27267	45.9
343.28336	8.3
397.26837	1.4
410.32593	3.5
428.33469	3.2
438.77335	1.2
519.29730	3.0
555.31134	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	609.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	7.9
55.01855	8.9
55.05500	4.7
57.03424	5.4
61.02900	3.4
65.03913	3.6
66.76237	2.8
67.05481	9.2
68.99773	4.6
69.03413	27.1
69.07038	12.6
70.06578	25.4
70.64749	6.0
70.65118	7.3
71.04958	5.6
72.08128	8.8
73.02895	6.5
75.63562	2.8
79.05470	12.9
81.03401	23.7
81.07050	19.5
83.04975	4.2
83.08598	4.2
84.08112	11.6
85.02890	58.0
85.06513	11.5
86.09693	15.6
87.00803	17.4
87.04436	7.4
88.02175	4.0
88.04008	3.4
91.05453	12.3
93.07011	19.3
95.04933	16.8
95.08575	11.6
97.02856	20.4
97.06502	3.1
98.06020	4.4
99.04424	13.5
103.03953	3.3
103.05455	4.8
105.01836	9.9
105.07005	15.5
107.04919	12.3
107.08549	13.6
109.02859	23.3
109.06485	5.6
109.10115	15.4
111.08017	6.7
114.05558	3.3
115.03919	6.3
119.04884	3.5
119.08566	7.6
119.18863	2.8
120.08039	5.2
121.06494	10.0
121.08321	3.2
121.10109	9.1
123.04423	7.5
123.11666	9.7
125.05919	4.0
125.09592	8.9
127.03883	32.5
129.06976	10.7
129.10205	6.5
130.05037	4.4
130.08618	4.2
131.04907	8.8
131.08525	6.6
133.06422	3.9
133.10060	9.5
135.08038	5.2
135.11661	8.6
136.07568	3.5
137.05956	12.4
142.33353	3.5
145.04932	5.7
145.06467	6.0
147.04367	5.3
147.08022	6.1
147.11662	7.8
149.05966	3.8
149.09546	3.4
149.13232	3.9
151.03851	4.4
151.07510	11.7
153.05455	5.0
155.45502	2.9
157.06482	7.2
159.02905	10.5
159.07976	4.2
159.11702	3.2
161.05936	19.7
161.09558	9.9
163.07472	9.2
167.07004	67.6
167.08392	5.0
171.08058	4.0
171.13727	11.6
174.06696	3.3
175.07484	11.3
177.09045	7.1
179.06975	4.3
180.41354	2.8
181.04884	4.5
181.08539	42.5
181.15695	3.4
187.07442	3.7
189.03891	3.1
189.09050	31.1
191.06969	4.2
193.08557	10.6
195.07921	3.9
195.10274	3.5
207.10037	11.3
207.13734	3.4
209.07889	5.6
219.10088	7.9
225.09010	4.0
231.04745	4.4
231.10089	4.5
237.08939	3.6
244.42830	3.1
247.07591	4.5
253.08641	8.5
255.10341	4.2
257.11804	4.4
261.11282	4.4
265.08606	2.9
270.05112	12.9
270.08630	3.9
279.10031	4.3
283.09430	7.1
283.13214	3.6
285.07535	61.1
285.11069	7.8
286.07672	3.2
303.04990	5.4
307.26117	6.1
311.12479	5.6
315.12350	11.1
317.13794	13.2
326.15201	3.1
329.13806	8.0
339.12271	5.1
341.13754	8.5
343.15430	16.4
343.28256	3.8
353.13803	5.3
361.16379	100.0
365.13766	3.4
371.14661	5.4
373.16519	14.3
383.15015	5.0
385.16483	6.1
427.17838	4.2
451.17291	4.6
470.72076	3.1
544.33295	3.7
609.23456	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03802	0.6
51.46199	0.7
53.03929	1.7
54.00798	0.7
55.01862	1.3
55.05257	1.0
55.05500	12.1
56.69109	0.8
57.03436	1.9
57.07064	6.3
59.04983	2.1
65.03928	0.9
67.05163	1.2
67.05494	13.5
69.03415	4.6
69.07056	41.8
69.98706	3.8
71.04973	3.9
71.08604	2.5
79.05470	9.0
81.03402	1.5
81.07041	45.8
83.04978	1.5
83.08131	1.5
83.08606	21.2
84.08138	0.7
85.02887	5.6
85.06528	2.7
85.10130	0.8
87.00816	2.1
87.04454	3.3
91.05461	14.3
93.07027	99.9
94.07359	1.3
95.04955	17.7
95.08590	43.8
97.02870	2.1
97.06512	7.6
97.10155	8.0
99.04478	1.3
99.08057	1.6
105.01854	2.0
105.04490	1.0
105.07009	13.8
107.08577	22.4
109.02835	1.5
109.06470	3.9
109.10134	25.8
111.08057	14.1
111.11703	3.6
117.06982	1.9
119.08567	8.9
121.06492	2.2
121.10120	32.1
123.08038	3.8
123.11684	19.4
125.09602	3.9
125.13205	1.1
127.03878	3.7
127.11156	0.9
130.62674	0.7
131.08574	4.3
133.10126	6.6
135.08025	0.9
135.11655	11.9
137.09639	2.0
137.13225	6.9
139.11121	5.7
145.04915	1.3
145.10089	7.5
147.07954	0.9
147.11661	7.3
149.09604	2.5
149.13232	15.7
151.11186	2.0
151.14703	1.4
153.12692	0.7
157.10088	1.0
159.11659	9.2
161.13231	6.2
163.11140	4.1
163.14795	3.9
165.12743	0.8
165.16457	1.0
165.69244	0.7
167.10667	2.1
167.14291	5.0
173.13200	2.3
175.14795	5.3
177.12691	1.7
177.16339	3.0
179.17969	1.4
185.15350	6.4
187.14813	2.3
189.16347	2.8
191.17915	1.6
195.13782	0.9
195.17444	1.6
197.19029	0.9
201.16354	2.4
203.17960	0.8
205.19398	1.6
209.19008	4.4
215.17911	3.5
219.21068	1.1
229.19504	0.9
231.21036	4.1
245.22588	2.5
249.22099	2.0
259.24130	0.9
261.25638	0.9
271.24179	14.3
277.25116	1.1
289.25201	31.7
295.26242	11.2
307.26257	100.0
308.26666	1.0
325.27307	49.0
397.27353	0.8
415.28412	1.0
449.89331	0.8
493.32159	0.8
513.92896	0.8
519.29236	2.2
537.30353	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09351	0.4
55.01856	0.4
55.05504	0.6
57.03419	0.6
59.04989	5.1
64.34119	0.4
67.05491	0.9
69.03419	1.2
69.07058	1.0
70.06580	3.7
71.04980	0.5
71.34103	1.0
72.08144	1.3
73.02899	1.4
73.06535	1.8
79.05460	0.6
81.03410	1.0
82.06577	0.4
83.04929	0.5
84.04480	1.0
84.08126	1.7
85.02888	3.6
85.06526	0.9
86.06068	2.7
86.09689	1.4
87.04459	5.9
88.02212	0.6
88.03954	0.5
89.06013	100.0
90.06300	0.5
91.05470	0.8
91.07584	0.4
93.07029	1.0
94.06548	0.6
95.04925	0.9
96.08076	0.5
97.02871	1.7
99.04433	0.7
103.05450	1.7
103.07543	2.2
105.07011	1.1
107.04935	0.6
107.07040	2.9
107.08585	0.6
109.02876	0.9
109.06483	0.6
110.07181	0.5
112.42381	0.4
116.10723	0.5
119.08549	0.8
120.08089	0.6
120.28065	0.4
121.06531	0.5
122.02688	0.6
122.06028	0.4
123.04401	0.6
124.86500	0.4
127.03872	1.0
127.84802	0.4
129.05484	1.2
129.10207	0.6
130.08667	2.2
131.04900	3.1
131.07024	1.8
132.05281	0.8
133.08577	52.7
135.08055	0.7
136.07538	0.6
137.05966	1.9
140.07048	0.9
142.08582	0.8
145.02890	0.5
145.10100	0.5
146.08092	1.0
147.04457	0.5
147.10155	1.6
148.06834	0.5
154.04985	0.8
157.06499	0.4
161.09564	0.5
162.06442	0.5
163.07549	1.8
168.06616	0.5
175.09657	0.9
177.05504	2.3
177.11191	23.1
181.04971	0.7
181.08661	0.7
191.07059	0.5
191.12741	1.0
195.12288	0.8
212.16409	1.3
221.13782	5.0
230.17500	1.0
232.09593	0.5
239.14764	2.3
265.16476	1.3
283.17447	4.9
286.27228	0.5
327.20126	4.4
328.14178	0.6
329.06427	0.6
345.13028	0.5
353.21469	0.9
364.16132	0.6
371.22690	54.7
372.23236	1.1
429.26886	38.5
430.11926	0.7
430.27426	0.8
446.14514	1.7
608.21143	0.7
608.34686	1.5
609.21045	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	1.3
52.56910	1.1
53.03926	5.5
55.01859	4.0
55.05499	11.5
57.03415	3.5
57.07059	5.7
59.04996	3.3
65.03914	2.2
67.05494	24.4
69.03423	12.6
69.07057	31.8
70.06569	5.2
71.04980	14.8
72.05285	1.9
73.02874	2.9
73.54452	1.4
77.03929	1.5
79.05482	16.5
81.03404	10.2
81.07041	100.0
82.07404	1.5
83.04963	4.6
83.08596	11.0
84.08126	4.7
85.02892	18.2
85.06534	8.8
86.09682	1.3
87.00821	7.2
87.04446	1.9
91.05459	21.0
93.07027	91.0
94.07375	4.1
95.04951	52.3
95.05559	2.4
95.08591	71.6
97.02876	9.5
97.06504	5.8
97.10126	4.6
99.04415	5.5
99.08064	4.6
105.01854	4.4
105.04493	1.4
105.07018	25.6
107.04948	3.8
107.07873	2.3
107.08571	29.0
109.02866	6.7
109.06483	9.7
109.10140	35.7
111.08084	14.7
111.11700	4.3
117.07038	3.4
119.08563	23.2
120.08057	2.0
121.06462	2.4
121.10123	28.6
122.10503	1.4
123.08062	5.7
123.11691	39.0
125.09603	4.9
127.03925	10.2
127.07485	3.8
127.11159	9.0
129.06996	2.1
131.04897	2.5
131.08525	7.7
133.06543	1.9
133.10100	14.6
134.10417	1.3
135.08011	4.1
135.11659	14.9
137.05920	2.7
137.09560	3.9
137.12184	3.1
137.13231	55.7
139.11159	7.1
141.12689	4.0
143.08511	3.7
143.10657	2.1
145.04930	3.9
145.10106	16.2
146.08095	3.1
147.08044	2.4
147.11668	30.7
148.11984	2.9
149.09604	5.5
149.13219	11.9
151.11163	3.3
153.12759	3.6
155.08562	2.2
155.10687	2.6
157.10088	8.8
159.02779	1.8
159.11662	18.8
161.09598	3.2
161.13248	9.7
162.07697	1.7
163.11151	4.8
163.14830	2.7
165.09064	2.8
165.12729	13.4
167.10677	5.7
171.11673	4.7
173.13170	9.2
175.07567	1.6
175.14822	4.4
177.05460	3.0
177.12679	2.6
177.16388	3.6
181.12190	3.9
183.11688	1.3
183.13824	7.1
183.17508	1.4
185.13208	4.0
187.14839	3.3
189.16374	4.0
191.14209	2.1
191.17950	1.4
193.15919	1.4
199.14799	5.3
201.14792	6.8
201.16356	7.0
203.06836	1.4
203.17836	2.8
209.07953	1.5
213.16415	8.1
213.18175	1.6
215.17915	3.3
217.19437	2.2
227.17958	1.6
229.19507	1.8
229.76161	1.7
231.04834	1.6
233.18977	2.3
235.20529	3.0
237.18376	5.5
257.22495	2.3
259.24112	2.4
269.22614	8.6
275.23581	2.8
277.25137	8.5
279.23215	2.7
287.23642	40.4
288.23883	3.0
293.24744	13.5
303.23071	1.5
305.24692	76.0
306.24991	2.5
311.25797	10.4
323.25751	36.7
341.26794	4.3
413.26993	2.3
455.39795	1.4
506.71323	1.4
517.27222	2.1
535.28729	3.8
549.57758	1.7
553.29822	2.4
607.27069	2.8
607.36566	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	607.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02343	1.1
53.03929	3.4
55.01853	3.2
55.05498	12.8
57.03423	3.3
57.07059	6.2
59.04993	6.9
59.86860	1.1
61.02930	1.4
67.05493	25.0
69.03419	12.8
69.06718	2.0
69.07059	27.5
70.06583	1.7
71.04979	13.9
71.51502	1.0
73.02884	1.9
77.03935	1.3
79.05478	13.1
81.03397	7.3
81.07040	100.0
83.04951	4.4
83.08607	8.9
84.08115	4.2
85.02887	17.2
85.06532	8.4
86.09727	1.4
87.00811	5.2
87.04444	4.8
87.84837	1.2
91.05467	15.7
93.07025	77.2
94.07356	1.5
95.04951	55.8
95.08588	79.8
97.02864	7.9
97.06519	7.2
97.10134	5.8
99.04433	3.9
99.08064	3.4
103.05412	1.6
105.01850	5.3
105.04509	1.7
105.07010	28.2
107.04955	2.0
107.08572	35.7
109.02873	7.4
109.06507	8.2
109.10132	41.1
111.08054	10.8
111.11675	3.1
113.09596	1.4
114.63640	1.3
115.07529	2.2
117.07014	4.2
119.07784	2.2
119.08563	28.4
121.06489	3.0
121.10120	35.9
123.04401	1.6
123.08057	5.9
123.11682	45.8
125.05987	1.4
125.09603	5.9
127.03898	10.0
127.07561	2.6
127.11198	6.6
129.07002	2.5
130.08678	2.1
131.04866	1.1
131.08530	10.2
133.10117	17.8
135.08026	2.0
135.10695	1.4
135.11673	18.7
137.05995	4.2
137.09605	4.6
137.13226	52.4
138.87376	1.3
139.11168	8.2
141.09094	1.6
141.12726	4.3
142.07799	1.4
143.08536	3.3
143.10631	2.8
144.09343	1.5
145.02676	1.3
145.04904	3.7
145.10077	13.4
147.04376	1.8
147.07957	1.3
147.11659	28.7
149.09590	3.5
149.13234	17.6
151.11169	4.4
153.12756	4.9
157.10110	9.2
159.02907	1.7
159.11658	23.0
161.09608	1.5
161.13245	10.2
163.11162	3.9
163.14795	4.8
165.09065	1.5
165.12720	15.2
167.10655	3.0
171.11662	6.6
173.13196	8.9
175.11186	2.5
175.14799	6.1
177.05479	2.3
177.12700	2.2
177.16359	4.0
183.13789	6.0
185.07056	1.3
185.13213	2.5
187.14809	3.2
189.12790	1.7
189.16377	4.8
191.14279	1.5
191.17853	1.4
193.15804	1.9
195.17488	1.8
199.14719	7.2
201.14780	4.1
201.16386	8.5
203.17953	5.2
211.16798	1.2
213.03821	2.7
213.16350	10.0
213.18333	2.9
215.17908	3.7
217.19563	2.6
219.17496	2.7
229.19534	2.1
231.04933	2.1
233.18962	1.6
235.20609	2.7
237.18428	4.3
243.21156	1.7
247.20580	1.7
257.22559	3.0
259.24203	3.0
261.22079	2.5
263.23581	2.3
269.22565	10.9
275.23746	6.2
277.25339	7.0
279.23511	1.7
287.23618	44.8
293.24744	22.4
305.24692	79.3
306.25064	1.6
311.25827	9.5
323.25735	34.9
341.26575	2.8
431.27429	1.6
535.29126	3.0
553.29651	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2898
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
64.80578	0.2
71.26176	0.6
105.83806	0.2
112.32714	0.2
158.02263	0.2
283.54681	0.2
300.14807	0.3
387.15915	0.3
388.16809	0.4
389.17517	0.8
401.17877	0.6
402.18423	0.6
403.19080	2.0
404.19983	0.8
405.20789	0.9
416.20035	0.7
417.21048	3.2
418.21753	1.5
419.22314	2.0
429.21094	0.4
430.21854	0.5
431.18015	5.4
431.23483	0.3
432.18265	1.1
432.23904	0.4
433.23920	6.8
434.24402	0.7
444.18771	0.4
445.19730	6.7
445.25427	0.3
446.20502	3.1
447.21579	2.8
449.22964	0.3
457.20258	0.3
459.21213	3.4
460.22418	10.4
461.23254	13.3
473.23526	3.1
474.24487	1.1
477.22662	0.6
487.25095	1.4
488.25632	0.6
491.24829	0.5
492.25049	0.8
505.21768	2.2
506.26651	0.5
515.24133	0.6
518.23456	0.4
519.26990	1.5
520.86359	0.3
532.24878	0.6
533.25696	0.4
536.04858	0.2
546.22766	0.3
547.26929	46.1
548.27570	0.6
575.26471	1.0
579.29645	0.7
607.28998	100.0
608.29517	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	607.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.4
55.01863	2.5
55.05497	9.7
57.03428	3.1
57.07070	6.9
59.04984	2.8
65.03899	1.6
67.05491	21.6
69.03415	6.8
69.06708	2.2
69.07056	22.7
69.58390	9.2
70.06582	2.1
71.04979	13.3
71.08620	1.3
73.02898	1.6
79.05477	11.3
81.03397	5.7
81.07043	100.0
83.04960	2.8
83.08617	5.7
84.08135	2.3
85.02887	11.4
85.06513	6.2
86.09709	1.2
87.00807	4.5
87.04433	2.8
90.47041	1.1
91.05473	14.8
93.07027	74.4
95.04953	64.1
95.08591	75.0
96.08929	1.3
97.02885	5.4
97.06511	5.3
97.10146	5.0
98.20812	1.7
99.04431	3.7
99.08058	3.0
100.18644	1.1
103.05459	1.4
105.01838	3.6
105.07009	26.1
107.08576	30.2
109.02872	5.5
109.06518	8.0
109.10134	31.1
111.08064	10.1
111.11708	2.5
115.46795	1.1
117.06995	3.3
119.08566	21.6
121.06487	2.1
121.10117	27.2
123.08047	3.5
123.11681	41.8
124.12041	1.2
125.09575	4.6
127.03909	8.5
127.07516	2.4
127.11172	5.9
129.07048	1.3
131.08546	4.0
133.10117	12.6
135.07991	1.9
135.11664	15.0
137.05956	2.8
137.09613	2.7
137.13232	56.0
139.11165	6.4
141.12738	5.7
142.07790	1.4
143.08524	2.8
144.09305	1.6
145.05009	2.7
145.06328	1.2
145.10110	11.8
147.11655	31.1
149.09607	3.1
149.13237	8.1
151.11179	2.2
151.14801	1.5
153.12697	3.5
155.08427	1.6
155.10611	1.4
157.10098	8.9
159.08055	1.2
159.11682	21.0
161.09587	2.5
161.13231	11.9
163.11108	2.7
163.14798	3.1
165.12720	13.9
167.07056	1.4
167.10658	4.4
171.11598	5.5
173.09647	1.3
173.13237	13.8
175.14798	4.8
177.16373	2.7
183.11389	1.2
183.13773	4.8
185.13234	2.6
187.10863	1.2
187.14751	3.5
189.16353	4.9
191.17880	1.5
199.14807	4.6
201.14854	5.9
201.16417	8.4
203.17891	5.0
213.16374	11.7
213.18332	2.6
215.17981	3.0
217.19482	2.7
221.18993	1.3
221.97064	1.1
227.17911	1.4
229.19543	1.8
231.17413	1.8
233.18933	1.3
235.20557	2.2
237.18477	2.3
247.20613	1.5
249.18512	2.3
250.64226	1.3
259.24017	2.2
267.19531	1.4
269.22662	11.6
275.23648	3.1
277.25131	7.1
287.23636	47.6
293.24625	14.1
305.24673	64.4
311.25812	6.5
323.25732	33.9
341.26971	2.5
348.62961	1.3
359.27829	1.2
431.27881	1.4
535.28784	3.8
553.29871	2.6
607.24915	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2897
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
60.21617	0.2
66.92154	0.2
70.93977	0.6
75.38793	0.2
112.25388	0.2
129.28000	0.2
360.74832	0.3
388.16492	0.6
389.17578	1.3
390.18579	0.4
401.17542	0.8
402.18454	1.7
403.19196	4.1
404.19864	1.8
405.20639	2.1
406.21860	0.3
415.19348	0.8
416.20480	1.4
417.21133	5.8
418.21735	3.5
419.22314	4.7
429.20892	0.5
430.16980	1.8
430.22763	0.5
431.17996	10.3
431.23383	1.1
432.19281	2.5
432.23645	1.1
433.24048	9.5
434.24554	1.3
443.18619	0.5
444.19357	0.9
445.19727	12.8
446.20715	5.8
447.21487	5.7
449.23224	0.4
458.20724	0.4
459.21515	5.8
460.22394	10.4
461.23212	10.6
462.24777	0.4
473.23840	3.3
474.24051	0.9
477.23035	0.7
487.25253	1.7
488.25714	0.4
489.22830	0.6
491.24084	0.9
492.25208	1.0
504.24905	0.4
505.21616	3.3
506.26862	0.5
515.24615	0.4
518.23297	0.5
519.24103	2.1
532.24799	1.0
533.25104	0.5
547.26935	28.1
548.27167	1.7
575.26465	1.0
578.25391	0.4
579.29279	0.5
607.28998	100.0
608.29193	5.1
617.80786	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2541
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
55.62631	0.2
63.14414	0.2
66.56575	0.2
67.15633	0.2
70.45607	0.5
76.41633	0.2
79.45393	0.2
81.07029	0.2
84.08121	0.4
95.08611	0.3
100.41817	0.2
120.08112	0.2
130.08641	0.7
162.64835	0.2
177.87639	0.2
197.10733	0.3
209.10796	0.2
221.10645	0.2
250.16753	0.2
281.79089	0.2
297.12430	0.3
300.14917	0.3
306.27798	1.1
352.14264	0.3
373.14474	0.3
374.14941	0.3
375.16122	0.5
377.17740	0.3
387.16049	0.4
388.16846	0.8
389.17670	2.3
390.18298	1.0
391.19208	1.0
392.19986	0.3
401.17960	0.4
402.14194	0.4
402.18613	0.6
403.15512	0.5
403.19455	3.8
404.19849	1.7
405.20639	2.7
406.20816	0.2
407.22302	0.3
415.19489	0.4
416.15497	1.0
416.20847	0.4
417.16125	3.7
417.21121	1.9
418.17676	1.1
418.21643	0.9
419.22412	6.0
420.22778	1.3
429.21252	0.3
430.17825	0.9
431.18222	7.2
432.19016	2.9
433.20068	3.7
441.16748	0.3
443.18478	0.4
444.19241	0.5
445.20139	4.6
446.20969	6.7
447.21606	7.7
448.22171	0.8
457.20245	0.2
458.21362	0.3
459.17117	0.6
459.21725	1.7
460.18552	0.7
460.22989	0.6
461.19540	1.5
463.20074	0.4
463.25146	0.6
473.19412	0.9
473.24185	0.6
474.20297	4.6
475.20929	4.5
476.21512	0.5
477.22992	0.5
478.23715	1.0
487.21353	2.1
488.21906	0.8
490.23398	0.7
491.19894	2.6
501.22995	0.9
504.21558	0.4
505.22437	0.7
506.22836	0.5
519.23993	16.9
520.24115	1.0
532.21387	0.4
547.23322	14.5
548.23993	1.0
551.26953	0.5
561.25043	0.4
579.25897	5.7
580.26031	0.6
589.24231	0.5
607.25397	100.0
608.25592	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	607.2536
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
55.05576	0.1
61.24661	0.1
67.25995	0.1
71.53398	0.1
81.07164	0.1
93.07142	0.1
94.06676	0.1
95.05086	0.1
108.08260	0.1
112.85944	0.1
115.91290	0.1
136.10509	0.1
145.17690	0.1
146.06155	0.1
172.04073	0.1
182.09915	0.1
183.09392	0.1
196.10060	0.1
197.10941	0.2
207.09370	0.2
209.10876	0.2
210.11627	0.1
211.12520	0.2
220.10107	0.1
221.10886	0.2
223.12514	0.3
233.10912	0.2
235.12471	0.2
237.14052	0.1
249.10339	0.1
251.11971	0.2
263.11676	0.1
275.76273	0.1
286.13519	0.2
287.14252	0.1
288.11530	0.1
297.12714	0.2
298.13623	0.2
299.14175	0.1
300.11926	0.1
300.15060	0.1
310.13443	0.2
311.14520	0.1
322.13834	0.1
324.15176	0.2
326.12985	0.2
328.14703	0.1
338.12936	0.2
338.16833	0.1
340.14743	0.1
348.15042	0.2
352.14651	0.1
362.16257	0.2
373.14542	0.2
374.15231	0.5
375.16092	0.8
376.17557	0.4
377.17776	0.2
386.16318	0.1
387.16104	0.6
388.16705	1.1
389.17560	2.8
390.18195	1.2
391.19098	1.2
392.19888	0.2
400.17383	0.2
401.13541	0.2
401.17844	0.4
402.14664	0.4
402.19150	0.9
403.15521	0.5
403.19467	4.2
404.20053	1.9
405.20749	3.7
405.26151	0.1
406.21408	0.4
407.22491	0.3
415.19852	0.7
416.16415	1.1
416.20593	0.5
417.17175	4.2
417.21265	2.0
418.17697	1.2
418.22604	1.3
419.22391	6.0
420.22845	1.3
421.23969	0.1
427.19763	0.1
429.16501	0.2
429.21539	0.3
430.18008	1.0
430.22778	0.2
431.18240	8.0
432.18930	3.5
432.24603	0.2
433.19888	4.0
434.21097	0.3
435.21960	0.4
441.17044	0.2
442.17517	0.2
443.18985	0.4
444.19485	0.5
445.20132	5.6
446.20905	7.6
447.21652	8.3
448.22748	1.1
449.19696	0.3
457.20355	0.3
458.21304	0.3
459.17398	0.7
459.21933	1.8
460.18857	0.8
460.23315	0.4
461.19260	1.8
462.19214	0.2
462.24225	0.5
463.20663	0.4
463.25052	0.7
473.19418	0.8
473.23907	0.7
474.20297	5.0
475.20996	4.8
476.22006	0.7
477.23300	0.8
478.23544	0.8
479.24429	0.1
487.21280	1.8
488.21915	0.6
489.23230	0.1
490.24213	0.7
491.19919	2.7
492.20764	0.2
501.22787	1.2
502.23370	0.3
503.24323	0.4
504.21429	0.3
505.22189	0.8
506.22891	0.8
515.20056	0.1
517.22699	0.3
518.22888	0.4
519.23944	18.3
520.24261	1.9
529.22253	0.4
532.21106	0.3
533.21295	0.3
535.22949	0.2
536.23889	0.2
547.23254	14.0
548.23694	1.8
550.21631	0.2
551.26813	0.5
561.24878	0.5
564.23077	0.2
574.21368	0.1
575.22638	0.2
579.25879	5.6
580.26202	0.6
589.24292	0.3
607.25342	100.0
608.25684	9.4
609.41553	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	607.2541
Annotation	Kadangustin D
Peak:m/z	Relative Intensity
57.89808	0.4
67.05444	0.5
71.53005	0.6
81.07007	0.6
85.10083	0.3
86.00119	0.3
91.05415	0.5
93.06993	0.8
105.06966	0.8
121.10110	0.5
123.05484	1.0
133.10040	1.3
148.07518	0.3
299.91284	0.4
338.16736	0.5
345.22168	0.4
374.15350	0.6
375.16019	0.7
387.16068	0.4
388.16830	1.6
389.17676	3.1
390.18185	1.4
391.18869	1.0
401.17877	0.8
402.14047	0.5
402.18835	1.0
403.19379	5.4
404.20102	2.5
405.20572	2.4
415.19327	0.6
416.16263	1.3
417.15945	4.1
417.20911	3.1
418.16919	0.7
418.21463	1.5
419.22311	8.6
420.22787	1.2
426.98767	0.4
429.16452	0.5
430.17841	1.5
431.18286	9.5
431.24185	0.5
432.19189	3.3
433.20071	2.6
444.19446	0.6
445.20178	8.4
446.20981	5.8
447.21655	10.3
448.22528	0.9
459.18033	2.4
459.22754	0.9
460.22937	0.7
461.19672	1.6
463.25128	1.0
473.19437	1.3
474.20407	8.8
475.21133	11.5
476.21622	1.1
477.22516	0.8
478.23166	0.5
487.21088	2.1
488.21698	1.2
490.23853	1.7
491.20386	1.7
491.24487	1.1
501.22748	1.6
504.21756	0.9
505.22122	0.7
518.22632	0.5
519.24005	12.3
520.24030	1.1
532.21057	0.5
547.23303	61.5
548.23450	4.0
561.24756	0.9
579.25891	3.8
589.24139	1.3
607.25397	100.0
608.25684	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	605.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.9
56.10963	0.4
57.07054	0.8
67.05463	0.7
69.07056	0.6
71.08641	0.6
71.53377	0.8
71.53803	0.6
79.05483	0.7
79.48133	0.5
81.07030	1.3
83.08571	0.5
85.10136	0.5
90.10189	0.7
95.08560	0.6
105.83479	0.5
107.08554	0.5
109.10163	0.6
133.10123	0.6
160.25453	0.5
185.14690	0.5
246.55226	0.4
349.23553	0.6
374.16379	0.6
389.18121	0.5
401.17584	0.6
413.17789	0.5
414.18414	1.4
415.19147	4.0
416.19855	2.1
417.20911	0.7
427.19501	0.9
428.19876	1.7
429.20767	7.4
430.21579	4.4
431.22458	1.2
433.23621	0.7
443.22577	3.5
444.17563	0.5
444.23511	5.6
445.23972	5.1
448.25864	0.7
456.19714	1.0
457.19913	1.4
458.25565	2.4
459.21252	2.2
459.25800	3.0
470.21390	0.6
471.21552	1.0
472.22601	2.4
473.23486	4.8
474.24097	2.3
485.23312	3.0
486.23816	1.4
487.24869	22.3
488.25290	2.2
501.23486	0.7
503.24292	2.6
517.26514	2.5
518.23309	1.1
545.25366	18.1
546.26056	5.7
573.25311	1.2
577.28302	0.7
605.27478	100.0
606.27844	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	605.316
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50854	1.3
53.03928	3.5
55.01848	5.3
55.05500	8.6
56.05012	2.3
57.03421	6.9
57.07055	1.3
59.04976	3.8
61.02903	3.3
66.54079	1.5
67.05492	17.4
69.03418	20.5
69.07056	24.2
70.06573	11.8
71.04983	17.7
72.08144	3.3
73.02885	4.4
79.05479	14.6
81.03413	13.0
81.06575	2.7
81.07039	40.6
82.06547	2.1
83.04946	3.4
83.08599	3.9
84.04473	1.7
84.08134	9.5
85.02891	32.6
85.06525	5.2
86.09695	6.1
87.00800	8.8
87.04436	5.6
91.05469	17.0
93.07026	71.4
94.06535	1.3
95.04951	27.0
95.06050	1.6
95.08592	38.5
97.02863	7.7
97.06518	10.5
97.10143	3.5
99.04434	7.1
99.08042	2.7
103.03930	2.5
103.05418	2.3
105.01865	8.8
105.07015	27.8
107.04929	2.6
107.08562	22.7
109.02867	11.3
109.06493	10.6
109.10139	20.2
110.06052	1.8
110.07161	14.4
111.04401	2.1
111.08070	7.8
111.11701	2.2
113.09637	2.4
117.06985	3.6
119.04901	2.2
119.08559	19.5
120.08124	2.8
121.06487	5.6
121.10121	100.0
123.08022	7.2
123.11691	12.6
125.05994	1.8
125.09618	5.6
127.03898	16.6
127.07547	1.5
127.11159	5.6
129.06946	2.0
129.10249	1.9
130.08623	8.3
131.08543	9.2
133.06395	1.4
133.10109	16.6
135.08014	4.7
135.11662	18.6
136.07607	2.5
137.05933	7.2
137.09558	8.0
137.13231	3.9
139.11166	15.1
143.08530	4.2
143.10606	2.1
145.04909	4.7
145.10085	22.2
147.04408	3.6
147.07982	1.7
147.11655	12.5
149.05957	1.4
149.09572	6.1
149.13184	4.7
151.07497	2.2
151.11115	3.1
153.12726	12.1
155.10605	2.0
157.10091	8.1
159.02864	7.0
159.07979	2.1
159.11671	14.9
161.05905	1.4
161.09560	8.9
161.13245	4.6
163.03899	1.9
163.11214	10.6
165.12752	2.9
166.08664	1.7
167.06972	4.2
167.10652	12.3
169.10065	2.7
171.11658	2.9
173.09550	1.9
173.13219	6.4
175.11104	2.8
175.14775	4.1
177.12766	2.0
181.12219	12.3
183.11702	3.2
185.13237	3.1
187.14757	5.7
189.09006	2.1
189.12689	2.4
189.16371	4.1
191.14313	2.5
197.13174	2.8
199.11147	1.7
199.13191	5.7
199.14792	17.1
201.12764	1.8
201.16438	1.8
203.17934	1.9
205.15808	5.0
207.13669	1.8
211.14853	2.9
213.16335	3.4
215.17917	2.6
217.15781	7.5
223.16872	4.8
231.04982	2.1
235.16891	3.9
241.17761	1.5
247.16618	1.3
267.21042	5.1
273.22064	3.0
279.14005	1.4
285.22046	24.8
291.23117	2.4
301.15411	5.6
303.04736	1.9
303.23138	39.4
304.23666	1.7
309.24121	4.6
319.13565	1.5
321.24179	90.2
322.24673	1.7
333.13184	1.9
339.25238	59.9
357.26236	4.8
393.26303	1.7
456.22772	1.4
466.19217	2.3
533.27277	1.6
551.28162	2.1
577.27386	1.9
589.65015	1.4
605.08380	2.0
605.16742	3.4
605.26007	5.4
605.34674	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	605.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	0.7
57.43842	0.3
67.51390	0.3
69.72222	0.2
69.85587	1.8
70.06557	0.6
74.02438	0.6
75.01384	0.3
80.32886	0.3
84.08136	0.4
86.09735	0.4
91.05479	1.1
98.97590	0.5
99.65503	0.3
113.93175	0.3
115.05444	1.3
116.98626	0.3
117.05723	0.7
117.07021	1.0
118.06532	15.4
119.04935	0.5
130.06516	2.0
132.08063	4.4
138.70143	0.3
142.06503	1.6
143.07285	2.3
144.08064	10.9
145.02808	0.7
145.08470	0.4
146.05989	58.2
147.04440	2.1
147.06348	1.7
158.05968	0.5
159.09177	6.5
160.07535	0.8
170.06012	3.9
175.08655	0.6
177.05467	1.9
188.07040	100.0
189.07376	2.9
205.09697	45.9
206.10059	1.6
219.07869	0.7
221.09187	1.0
239.02199	0.8
245.46127	0.3
278.59259	0.3
356.15457	0.3
377.01755	0.7
395.02719	0.7
423.00693	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	12.6
55.01860	5.8
55.05495	24.6
56.05012	2.7
56.65028	2.8
57.03413	8.6
57.07068	4.8
58.12024	3.4
59.04981	14.2
61.02907	4.1
63.18274	3.1
67.05494	28.7
68.99789	4.4
69.03419	25.9
69.07052	28.0
69.40598	11.2
69.41028	19.1
70.06580	14.7
71.04971	17.0
72.08136	7.8
73.02911	8.4
79.05489	31.4
81.03416	16.0
81.07043	74.3
82.06568	7.2
83.04955	13.6
83.08585	15.4
84.04495	5.4
84.08132	17.6
85.02888	44.6
85.06541	10.1
86.03191	3.7
86.06043	8.3
86.09698	10.0
87.00809	11.2
87.04451	6.1
89.06016	5.0
91.05461	33.7
93.07026	100.0
93.07616	5.2
94.06502	4.2
94.07330	4.7
95.04954	30.3
95.08595	60.0
97.02882	23.1
97.06529	11.3
97.10168	5.6
98.09706	4.8
98.20770	5.7
99.04434	10.3
99.08075	4.2
100.07619	5.3
100.11230	16.5
103.03944	4.0
103.07514	3.3
105.01849	7.6
105.07010	60.0
107.04907	4.4
107.08578	63.0
109.02855	12.0
109.06488	14.7
109.10123	38.0
110.57452	2.7
111.04440	5.7
111.08044	7.5
115.03883	4.6
116.10699	22.8
117.06989	8.1
119.08556	53.4
120.08105	6.6
121.06493	5.7
121.10117	69.6
123.04414	7.4
123.08056	11.9
123.11681	13.1
124.07561	5.3
125.09628	10.6
127.03883	20.1
127.11139	5.9
129.05515	5.0
129.07051	3.9
130.08604	18.6
131.04936	5.3
131.08528	24.9
133.10094	31.1
135.04500	3.7
135.08049	7.0
135.11662	25.7
136.07501	3.2
137.02295	7.4
137.05942	5.2
137.09624	8.2
137.13231	7.1
139.11162	4.6
141.09087	3.3
143.08528	6.0
145.04875	9.3
145.10097	33.0
146.08118	12.5
147.04456	4.6
147.08052	9.4
147.11673	32.5
149.09639	9.9
149.13223	13.2
151.11153	12.6
153.01773	4.3
155.02293	3.4
155.08499	6.3
156.09349	4.1
157.10083	14.0
159.11688	24.8
161.09599	7.4
161.13240	13.6
162.07588	11.2
163.11180	13.0
163.14841	6.3
165.09145	6.4
165.12787	3.7
167.03456	5.1
167.07016	5.2
169.10104	10.0
171.11664	12.6
173.09540	5.0
173.13225	20.1
175.11200	4.5
175.14786	15.7
177.12740	4.9
181.10124	4.5
181.12206	3.7
182.15361	8.3
183.11739	4.2
185.13263	8.8
187.11154	3.9
187.14824	7.8
189.16423	7.8
191.14253	8.8
197.13242	6.8
199.14824	9.3
201.12686	4.3
201.16321	7.0
203.10614	3.4
205.15799	4.1
210.14795	5.9
211.14792	8.8
213.03958	3.0
213.16341	3.7
215.17815	16.8
217.04883	6.0
217.15907	9.1
227.17828	4.5
229.15686	5.3
231.05005	5.1
233.18979	8.3
245.04550	4.7
251.20297	4.2
257.22592	5.9
267.20975	6.7
273.03848	15.2
274.04294	15.1
282.12997	5.5
285.22101	26.6
301.03354	3.4
302.04056	7.7
302.21661	3.5
302.88458	3.0
303.04776	20.9
303.23172	18.6
304.05222	16.2
310.23508	7.4
313.03387	8.9
314.03683	6.3
321.24176	14.1
326.12363	5.5
340.13391	4.2
341.14923	25.2
342.15198	31.5
387.44656	3.2
432.18619	5.3
453.34805	5.2
472.28900	26.0
481.22119	6.3
482.22220	5.7
490.29895	24.3
572.25494	4.7
586.06824	5.6
586.36206	4.3
604.07880	13.1
605.26349	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	604.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.0
55.01859	1.1
55.05499	4.0
57.03436	2.5
59.04989	3.7
61.02903	1.3
65.03921	4.9
66.50261	1.0
66.80803	1.0
67.05492	4.3
69.03418	2.9
69.07050	3.2
70.06566	4.5
71.04974	2.1
72.08120	1.3
79.05480	3.3
81.03400	2.9
81.07049	6.8
82.06579	3.1
83.04966	1.6
83.08611	1.8
84.08140	7.0
85.02886	4.8
85.06543	2.5
85.22621	1.0
86.09679	3.4
87.00874	1.3
87.04453	13.2
89.06004	2.1
91.05461	4.5
93.03381	1.2
93.07035	6.6
95.01283	1.1
95.04951	3.2
95.08598	6.7
95.09110	1.0
97.02860	2.4
97.06506	2.2
99.04469	1.9
100.07599	2.4
105.07005	5.6
107.04935	2.5
107.08572	4.1
109.06529	1.7
109.10149	4.5
110.03648	5.0
111.04433	6.7
111.08103	1.5
116.07122	1.8
116.10760	1.4
119.04929	3.6
119.08571	4.6
121.02831	2.9
121.06463	1.5
121.10137	3.4
123.08067	1.0
123.11698	1.7
125.05964	6.9
127.03840	1.9
129.07004	2.3
130.08629	5.3
131.08511	2.3
133.08553	1.3
133.10112	2.8
135.08043	2.1
135.11685	1.6
137.05945	4.4
137.09663	1.3
143.08562	1.3
145.04903	1.2
145.10098	1.8
145.49019	1.1
146.08081	9.0
147.04376	4.6
147.07971	1.4
147.11604	1.1
149.02296	1.4
149.09549	1.2
149.13176	1.6
151.07544	2.2
153.05437	14.4
153.09091	1.5
157.10097	1.7
159.08092	1.4
159.11623	2.0
161.05962	2.0
161.09613	3.1
161.86411	1.3
162.07649	1.9
163.07433	1.3
167.06995	3.2
177.05414	1.2
179.07018	2.2
181.06395	1.3
195.08113	1.3
197.05920	1.3
207.13773	1.2
223.07532	1.5
225.09018	2.1
235.07359	1.3
238.09888	2.1
239.06964	1.8
239.10689	1.5
240.07840	4.2
249.08888	2.1
249.11180	1.4
252.07747	1.6
253.08560	10.5
253.12219	5.7
254.09360	1.9
255.10110	2.5
257.07932	1.4
265.08667	1.6
266.09286	1.9
267.10065	2.5
269.08188	2.1
270.08853	1.8
272.10379	1.1
281.08026	2.4
281.11737	4.5
283.09659	6.6
285.11044	4.2
285.14758	1.8
295.09674	1.6
296.10626	1.8
298.12082	1.8
299.12799	4.3
302.12836	3.0
309.10947	5.6
310.11728	2.5
311.12759	1.2
313.10638	7.8
313.14337	3.8
327.12222	18.4
328.13239	1.8
331.15231	2.9
341.13812	3.8
348.13449	3.2
359.14819	100.0
360.14914	1.6
371.15131	5.9
372.62805	1.2
389.15887	3.2
394.52209	1.2
425.31519	1.2
469.44534	1.1
520.02765	1.2
557.81750	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.3
55.01865	2.3
55.05502	8.1
56.05007	1.1
57.03427	1.6
58.99579	9.3
67.05496	17.3
69.03416	3.0
69.07056	11.5
70.02940	1.2
70.06577	2.9
71.04976	3.7
71.51789	1.0
72.22984	1.0
73.02895	2.1
74.00661	5.3
76.02216	16.3
76.03986	1.4
79.05476	24.1
79.05909	1.7
81.03412	1.6
81.07042	26.5
82.06611	0.9
83.04960	3.1
83.06091	1.4
83.08605	6.1
84.04482	12.5
84.08130	1.7
85.02894	9.8
85.06515	1.7
86.09689	1.8
86.99041	4.0
87.04441	1.2
88.02184	1.8
91.05472	14.9
93.07028	41.2
94.06593	1.0
95.04951	3.7
95.08594	20.8
96.04505	1.1
97.01089	2.1
97.02893	4.5
97.06519	2.6
97.10149	4.3
99.05564	1.6
99.08080	1.5
103.03897	1.1
105.07006	12.9
107.08572	27.9
109.02893	1.5
109.06501	2.4
109.10130	10.1
111.02634	1.2
111.04430	2.3
111.08088	1.1
114.03747	1.2
116.01657	20.8
117.07025	4.2
117.46309	0.8
119.08557	12.3
120.08083	1.2
121.06495	1.8
121.10128	17.0
122.05967	1.9
123.02608	1.7
123.08041	2.6
123.11693	5.5
125.09604	1.6
126.05502	1.1
127.03871	2.2
127.07476	1.0
129.05469	3.0
129.06606	3.4
130.04965	6.4
131.08548	8.4
133.10124	10.0
135.08044	1.7
135.11671	19.9
137.04211	1.2
137.09634	1.6
139.11165	1.1
139.13962	1.0
142.03198	4.9
143.08540	3.9
144.01123	11.0
145.05019	1.1
145.06081	2.3
145.10101	7.6
146.06020	1.7
147.01775	1.0
147.06526	1.3
147.07909	1.7
147.11671	11.2
148.07591	1.0
149.09622	2.3
149.13248	13.4
151.11159	1.0
157.10126	3.0
159.11673	4.3
161.09587	1.6
161.13232	4.9
162.02179	36.7
162.07608	4.0
163.11151	1.7
163.14790	3.4
165.09187	1.0
167.07013	1.2
170.02618	1.6
171.11676	4.4
173.13301	4.7
175.11235	0.9
175.14801	2.0
177.03282	1.2
177.12720	1.2
179.04834	13.5
181.12242	0.9
185.13268	2.5
187.05426	1.0
187.14777	1.2
189.12738	2.1
195.13722	1.3
199.14761	1.8
207.13805	1.4
221.15501	2.1
224.16380	1.7
229.15863	1.1
231.17410	1.4
233.05789	1.0
235.16890	2.2
239.11536	1.1
241.19466	3.8
245.05794	1.8
250.18149	1.0
256.09299	1.3
259.20480	7.3
265.12674	1.3
275.19983	4.0
277.21579	100.0
278.10406	1.2
278.21985	1.9
279.11063	3.0
280.11594	3.7
289.16122	1.8
291.17813	2.6
294.24200	1.0
295.22678	2.5
297.12335	3.2
298.12582	2.8
301.21683	1.8
307.17197	2.4
308.08969	5.2
309.12225	2.1
309.18735	5.0
310.12564	1.8
319.22726	1.1
325.11700	0.9
326.12335	1.0
334.21997	1.3
335.20163	1.8
337.11639	1.3
338.12265	1.4
339.13199	2.4
340.13513	2.5
352.23047	5.1
362.21490	1.1
370.24026	22.0
407.18051	0.9
420.21957	1.9
438.22995	5.5
455.25684	14.5
456.09927	2.0
456.23901	6.5
460.18433	1.3
461.18893	8.0
463.26218	1.0
473.26733	43.7
474.26556	1.1
479.19766	3.3
481.21033	1.1
509.26974	1.3
527.20026	1.2
527.27704	13.7
584.30908	4.2
585.27679	1.6
602.31329	24.5
603.27106	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.6
55.01857	0.5
57.03426	0.3
62.06063	0.9
67.05479	0.7
69.03410	1.1
70.06587	3.0
70.86825	0.7
72.08142	0.7
78.04688	1.2
79.05484	2.9
81.03409	0.9
81.07036	0.9
84.04488	0.4
84.08135	2.1
85.02905	2.2
86.09676	1.3
91.05463	2.3
93.07014	0.6
95.04951	1.3
95.08592	0.6
97.02865	1.0
99.04404	0.4
102.22041	0.3
103.05455	3.7
105.07009	3.9
106.04143	0.8
107.04946	5.8
109.02835	0.7
109.06497	0.7
109.10085	0.5
110.07135	0.6
115.05425	1.6
117.06975	1.0
119.04913	0.8
119.08553	0.8
121.06490	2.1
122.03581	0.3
123.04435	3.5
123.08054	0.9
124.05177	2.1
125.05945	1.2
126.05524	0.3
127.03859	0.8
129.06964	0.7
129.10182	0.4
130.08614	2.3
131.04906	5.6
131.08537	1.0
132.05753	0.4
133.06473	5.2
134.03638	0.4
135.04448	0.4
135.08043	1.3
136.06161	1.3
136.07574	0.6
137.05954	3.8
137.09639	0.5
140.07077	0.3
141.06982	0.7
143.04878	0.6
143.05966	0.4
143.08440	0.3
144.05684	0.8
145.02808	0.4
145.04977	0.4
145.06441	2.7
145.10165	0.3
146.08162	0.3
147.04404	2.0
147.07977	0.6
149.05954	1.1
151.03900	0.8
151.07529	3.6
152.04634	1.2
153.01736	0.5
153.05463	0.4
153.06816	0.3
155.23842	0.3
157.06454	0.5
158.07225	0.3
159.08073	1.7
161.05966	10.2
161.09531	0.5
163.07515	11.9
165.05449	0.5
165.09097	0.7
167.07013	100.0
168.07442	0.7
169.06456	0.4
173.05948	1.5
173.09673	1.4
175.07541	2.3
177.05428	0.9
177.09106	2.4
178.06203	0.5
179.07051	3.4
180.08769	0.4
181.08597	4.5
187.07506	3.1
189.09033	1.0
191.06955	0.8
192.07764	1.0
193.08574	14.8
195.10199	0.4
201.09099	2.0
203.06956	4.3
203.08466	0.3
205.08527	1.0
207.10130	0.8
209.07994	0.8
217.08493	0.5
218.09491	0.4
219.10149	2.7
221.08083	2.3
221.11639	0.6
231.10173	0.5
233.07957	0.8
233.11716	2.6
237.11198	3.0
249.11275	1.7
250.11508	1.2
251.12788	2.1
263.10623	1.2
265.08582	0.3
291.10104	0.7
295.13409	0.6
302.97006	0.3
317.54865	0.3
323.12848	1.5
325.10489	0.5
355.15335	12.2
357.13141	1.4
357.79788	0.3
375.14294	0.6
387.13083	0.4
387.18002	12.6
405.19040	33.5
406.19421	0.7
423.14890	0.3
423.19592	1.5
584.30554	0.4
602.28131	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	1.1
55.05497	6.3
57.03432	5.0
57.07065	100.0
58.04208	11.4
58.07387	1.9
59.04992	36.8
60.04516	1.9
62.81375	1.1
64.28995	0.9
66.56928	1.2
67.05494	6.0
69.07062	7.7
69.38861	7.8
69.39266	1.4
71.04990	1.7
71.08617	86.6
72.05759	11.4
73.02900	6.5
73.06545	14.6
79.05480	2.6
81.07038	7.3
82.07816	1.6
83.08609	7.9
85.06528	1.4
85.10165	81.2
86.07300	2.2
86.10532	1.2
87.04456	20.8
87.08096	2.5
88.05235	2.7
88.07607	1.3
89.06013	25.6
90.01899	43.3
91.05450	2.2
93.07008	6.5
95.04937	1.1
95.08598	7.3
97.06528	3.2
97.10128	2.5
98.21553	2.0
99.11712	10.5
100.08832	1.3
101.06003	2.9
102.06764	1.7
103.07568	12.8
105.07008	4.8
107.08595	4.3
109.06512	2.0
109.10133	4.8
111.11687	2.0
113.13269	2.1
115.07543	2.0
116.08315	4.5
117.09122	14.6
119.07056	1.0
119.08555	4.8
121.10139	3.3
123.08069	2.3
123.11695	1.9
131.07002	2.9
131.08540	2.2
133.08582	12.7
133.10129	2.5
137.13153	1.2
141.16331	5.6
143.08534	2.1
145.10123	3.7
147.08032	1.7
147.10152	3.5
147.11665	1.5
149.11678	1.4
152.15553	2.8
155.17921	6.9
156.09291	1.2
157.10114	3.8
159.11700	2.8
160.08717	1.3
161.11699	2.7
163.09729	1.1
163.11110	1.3
165.09087	1.9
165.11215	2.6
169.10086	1.6
169.15863	1.4
171.11595	1.8
173.13290	2.0
175.09656	1.1
175.11183	1.0
175.14922	1.1
177.11238	5.9
177.12665	1.4
178.07059	8.6
178.86169	1.0
179.12759	2.8
180.12317	1.4
181.12148	1.3
183.17398	3.0
193.14377	1.1
194.13658	1.3
195.12064	1.2
197.13202	1.3
198.19748	2.4
199.20563	8.2
200.41237	1.2
206.11160	1.3
208.15387	4.2
209.13785	2.5
212.21373	2.7
213.22063	6.0
221.15370	6.5
222.09714	11.2
222.17078	1.8
223.15382	2.4
224.14906	2.1
238.16489	3.3
239.14908	1.2
241.15097	1.5
252.18063	4.9
253.16614	1.3
255.17134	1.3
256.23941	1.7
257.24707	6.5
266.12311	5.1
266.19608	3.9
267.17905	2.5
268.17593	2.1
271.16205	1.6
280.21179	1.7
281.19531	1.6
282.19083	2.7
285.17844	2.6
296.20609	5.5
298.18555	1.5
312.20117	2.9
324.23773	2.4
326.21765	1.4
328.15915	4.1
341.30493	3.6
362.32507	6.7
372.18610	8.1
373.58591	1.3
378.31650	1.2
386.20129	1.4
450.37845	19.5
494.40756	1.9
510.40082	2.7
601.42773	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	601.4242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	6.2
55.01842	5.2
55.05502	43.4
55.50744	3.9
57.07060	17.1
59.04975	5.3
67.05486	34.6
69.03422	15.9
69.05579	4.2
69.07055	25.0
71.04971	6.3
71.52682	4.9
71.53063	5.5
72.43961	4.3
73.32944	4.3
74.79920	4.4
79.05479	37.0
81.03436	6.0
81.07047	64.1
83.04971	16.8
83.08614	46.9
85.06518	9.3
87.04459	4.7
91.05466	66.0
93.07024	79.4
95.04952	21.6
95.08580	52.6
95.46620	5.1
97.01521	4.3
97.06493	19.6
104.10735	8.7
105.07014	100.0
107.08572	70.7
109.06513	16.3
109.10148	32.0
109.66660	5.4
111.08073	7.0
113.09615	10.7
117.06998	23.7
119.06082	5.5
119.08564	92.8
121.06467	8.8
121.10117	80.8
123.08049	16.7
123.11686	17.1
125.09618	19.9
128.06201	14.5
129.06990	17.3
131.08551	35.3
133.10107	61.6
135.08032	19.8
135.11679	21.2
137.09592	8.2
137.75655	4.7
139.11166	14.3
141.06978	6.6
142.07739	20.5
143.08514	38.9
144.09303	6.6
145.10118	79.9
147.08046	9.1
147.11684	20.5
149.09607	18.9
151.11118	5.8
155.08545	18.4
155.10606	10.3
156.09326	19.0
157.10101	66.2
158.10861	10.7
159.07993	4.9
159.11665	42.4
161.09583	12.4
161.13249	6.1
165.06946	6.6
165.09091	14.8
167.08563	10.0
167.10667	52.5
169.10104	31.1
170.10918	8.9
171.11650	35.3
173.13258	33.6
175.11162	11.6
175.14827	18.8
179.08498	10.9
180.09241	5.9
181.10143	18.7
181.12207	18.8
182.10820	12.7
183.11620	34.4
184.12407	7.8
185.09428	4.8
185.13220	22.8
187.11133	6.4
187.14845	9.2
189.12723	6.0
191.14307	9.7
192.09325	6.2
192.52928	4.9
193.10168	12.7
194.10846	6.1
195.11705	25.3
195.13496	5.0
196.12492	8.0
197.13243	41.4
199.14830	16.6
201.16377	7.3
203.14307	6.6
206.10910	6.3
207.11670	18.3
208.12480	11.0
209.13225	35.4
211.14807	24.6
213.16345	5.2
217.15810	8.2
219.11748	6.9
221.13242	17.9
221.15350	31.6
222.15878	5.6
223.14758	18.2
225.14702	12.4
225.16594	8.2
230.11034	5.1
233.13214	8.4
233.15253	40.0
234.13838	6.0
235.14784	15.0
237.16325	8.7
239.14265	5.0
247.14737	11.3
249.16319	10.3
251.17979	8.8
253.19406	10.9
257.13190	5.6
257.18842	8.6
259.14713	5.6
261.16406	6.2
263.17728	5.6
265.19534	9.5
269.19070	11.8
273.16302	6.3
275.17694	5.3
275.20352	5.4
277.19360	8.3
283.20502	8.6
287.20242	5.5
289.19598	6.0
295.20578	9.7
299.20059	7.9
303.07584	4.5
315.20828	5.6
333.21924	5.2
361.25333	9.8
375.25574	7.7
415.29843	9.5
565.40265	15.7
583.41290	28.2
601.42090	48.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.2
55.05497	7.4
57.03417	1.6
57.07069	27.6
58.04209	1.8
58.76571	1.0
59.04993	10.8
65.03928	1.8
67.05493	12.0
69.03419	6.6
69.07054	6.5
71.04972	1.8
71.08623	16.7
72.05760	2.2
73.02925	1.5
73.06543	3.0
76.89952	1.1
79.05479	12.6
81.07048	17.0
82.07409	1.3
83.04981	3.8
83.08615	3.6
85.06544	3.0
85.10168	15.3
87.04452	6.0
89.06014	7.6
90.01907	7.1
91.05471	19.0
92.05814	2.1
93.07024	31.6
93.07620	1.7
94.07337	2.1
95.04973	8.2
95.08600	19.7
97.06522	3.9
97.10133	1.1
99.11729	2.7
103.05464	1.6
103.07571	4.3
105.07017	32.4
106.07349	3.4
107.04985	1.6
107.08580	20.0
108.08920	2.2
109.06506	6.9
109.10129	11.8
111.08088	2.3
113.13278	1.2
115.05464	1.4
117.04746	1.0
117.06978	9.3
117.09129	3.2
119.08564	37.1
120.08894	2.7
121.06487	5.6
121.08687	1.0
121.10119	18.9
122.10456	2.0
123.08060	15.3
123.11726	3.0
124.08372	2.4
125.05987	3.3
125.09583	1.8
128.06200	4.3
129.07011	6.7
130.07729	2.3
130.08604	1.8
131.08557	14.8
132.08905	1.9
133.06476	2.3
133.08614	5.9
133.10124	20.8
134.10449	1.6
135.08034	11.3
135.11655	6.6
136.11993	1.3
137.09586	11.9
138.09947	1.1
139.11127	1.6
141.06989	3.2
142.07768	7.0
143.08554	17.2
144.09258	4.8
145.10106	27.9
146.10513	3.2
147.08014	16.7
147.11621	6.7
148.08473	2.1
149.09659	5.7
151.07542	9.9
151.11176	1.2
152.07899	1.5
154.07811	1.9
155.08575	6.1
155.10641	2.1
155.17902	1.8
156.09351	5.6
157.10115	22.5
158.10664	4.8
159.08049	3.7
159.11674	14.9
160.12115	2.8
161.09589	4.6
161.13257	5.6
163.11166	9.5
165.07022	1.7
165.09087	43.7
166.09485	1.7
167.08553	2.8
169.10081	8.6
170.10748	4.0
171.11674	14.0
172.12245	2.5
173.09598	3.5
173.13283	7.5
174.10056	1.6
174.13800	1.1
175.11177	4.6
175.14819	3.5
177.09030	1.6
177.11214	2.6
177.12674	1.9
179.08649	1.4
179.10568	2.4
181.10065	4.5
181.12218	9.3
182.10861	4.9
183.11658	10.7
184.12213	2.7
185.13220	7.8
187.11192	3.6
187.14763	3.7
189.12695	4.0
190.13411	2.2
191.14171	2.1
191.18112	1.2
193.10095	3.5
193.12114	2.2
194.10890	2.8
195.11606	6.0
196.12270	1.9
197.13248	7.0
198.13708	2.0
199.11186	1.8
199.14810	2.5
201.12732	2.3
203.14272	15.4
204.14685	1.6
207.11609	3.3
207.13783	5.9
208.12231	2.9
208.14360	1.6
209.13248	6.3
209.15161	2.4
210.13921	2.9
211.11031	1.6
211.14708	5.3
212.15166	1.8
213.12776	1.2
213.16345	2.1
214.13103	1.7
216.14725	1.5
219.11633	1.8
220.12418	1.3
221.13371	4.8
221.15323	100.0
222.09755	1.8
222.13872	1.7
222.15645	7.4
223.14807	4.8
224.11836	1.7
224.15140	1.3
225.12729	1.9
225.16393	3.0
229.66637	1.3
229.69022	1.2
233.13245	2.0
233.15385	1.5
234.16071	5.1
235.14749	2.9
235.16811	2.0
236.15320	1.8
237.12700	1.5
237.16434	3.1
239.14407	1.5
239.17871	1.6
247.14703	2.6
247.16907	3.6
248.15196	1.7
248.17503	2.4
249.16211	2.2
251.18210	1.3
261.16275	1.4
263.17953	1.3
264.18259	1.4
265.19507	2.2
268.17920	1.1
269.18945	1.3
271.16879	1.2
274.19150	1.5
286.19250	2.9
287.19974	3.3
289.19260	1.6
294.18439	1.2
297.22061	1.8
299.19885	5.6
300.20480	3.4
301.21500	2.8
311.20175	1.8
312.20605	2.9
313.21524	2.7
325.21521	3.2
326.22141	3.5
328.23160	1.2
337.21378	1.6
338.22046	1.7
340.24026	1.1
352.23904	9.2
353.24249	14.6
365.24774	1.8
366.25064	2.7
367.26425	2.1
421.30667	1.3
436.17117	1.2
450.37885	2.8
455.30984	1.9
491.35123	8.7
508.34912	2.8
509.36118	4.2
520.35321	3.8
521.35797	32.3
583.41577	8.2
586.39771	1.3
601.42383	33.6
602.42255	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	601.4224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.4
55.01859	3.3
55.05506	23.3
57.03424	1.9
57.07069	9.1
57.34009	1.7
59.04986	3.9
61.11383	1.7
65.03922	4.9
67.05495	32.5
69.03418	14.3
69.07054	22.9
69.22542	17.0
71.04967	4.8
79.05483	32.7
81.07043	47.1
82.07368	2.5
83.04971	21.2
83.08609	16.7
85.06516	6.5
87.04461	3.9
88.04178	1.7
91.05468	64.9
93.07027	79.8
94.07364	2.9
95.04953	27.2
95.08596	44.1
96.08881	1.7
97.06515	15.6
97.10139	3.7
103.05460	4.3
105.07014	100.0
106.07300	3.9
107.04942	3.7
107.08575	77.6
107.09301	4.3
108.08881	3.0
109.06505	21.8
109.10146	38.2
110.10485	3.5
111.08057	7.3
113.09610	7.6
115.05443	7.0
116.06237	4.2
117.07014	22.7
118.07854	2.1
119.08562	96.7
120.08894	2.8
121.06490	11.4
121.10126	92.2
122.10433	3.8
122.89701	1.7
123.08058	16.1
123.11694	7.4
125.05983	2.4
125.09593	16.8
128.06203	15.8
129.07004	19.1
130.07745	6.7
131.08560	47.5
132.08908	3.6
133.06470	4.9
133.10112	65.1
134.10439	2.7
135.08022	20.9
135.11652	24.3
137.09596	9.0
139.11139	6.0
141.06982	11.4
142.07773	22.4
143.08543	45.5
144.09216	8.2
145.06404	2.7
145.10101	76.6
146.10484	5.8
147.08066	11.4
147.11664	26.4
148.12044	2.3
149.09613	20.9
149.13203	4.0
151.07553	4.0
151.11134	5.0
153.06950	3.0
153.12718	2.1
154.07709	5.3
155.08527	21.4
155.10629	6.7
156.09337	13.4
157.10107	61.2
158.10620	9.1
159.08051	18.0
159.11662	41.5
160.08725	2.2
160.12077	2.9
161.09599	14.7
161.13219	6.6
163.11162	8.2
165.06932	5.0
165.09120	8.5
166.07721	4.5
167.08562	14.2
167.10652	72.2
168.09312	9.9
169.10106	30.9
170.10863	10.8
171.11662	37.8
172.12245	4.4
173.09590	6.8
173.13237	22.7
174.13577	3.1
175.11217	11.9
175.14771	17.0
178.07748	4.0
179.08513	12.8
180.09302	6.8
181.10068	17.5
181.12218	8.4
182.10872	9.7
183.11681	29.1
184.12349	7.2
185.09602	4.2
185.13217	18.8
186.10393	2.0
186.13760	2.8
187.11168	5.9
187.14763	12.8
189.12694	7.9
190.13344	2.6
191.08502	2.3
191.14247	7.1
192.09315	5.5
193.10126	13.5
193.11847	2.1
194.10829	9.5
195.11668	24.1
196.12306	9.2
197.09593	2.6
197.13202	28.3
198.13730	5.6
199.11172	4.8
199.14799	14.5
201.12729	4.9
201.16348	8.4
203.08629	2.3
203.14264	6.8
205.10034	3.6
206.10916	7.9
207.11667	15.6
207.13651	3.5
208.12434	9.5
209.13263	28.9
209.15292	4.8
210.13832	6.8
211.11336	3.8
211.14803	20.6
212.15227	3.0
213.12694	4.5
213.16350	6.2
214.13272	2.0
215.14301	7.6
217.10068	2.8
217.12234	2.0
217.15862	6.2
218.10904	2.8
219.11650	5.1
220.12381	3.5
221.13232	16.4
221.15359	19.3
222.13921	4.9
223.14801	17.6
224.15340	3.7
225.12694	3.6
225.16357	9.7
227.14284	4.7
229.15765	2.5
231.11668	5.1
231.17514	2.8
233.13161	8.5
233.15349	33.1
234.13710	2.1
234.15840	4.0
235.14737	14.7
235.16772	2.4
236.15355	4.1
237.16330	6.5
238.16974	2.9
239.14206	4.5
239.17902	4.3
241.15805	2.2
243.17310	2.4
245.13257	4.9
245.15517	2.1
246.13881	2.1
247.14772	6.2
247.16960	4.0
248.15254	3.6
249.16364	6.8
250.17065	2.0
251.17902	4.5
253.15926	3.4
253.19409	3.7
255.17500	7.8
256.17902	4.6
257.19022	3.8
259.14746	4.7
261.16354	7.7
262.16891	2.8
263.17886	3.8
265.19437	8.1
267.17276	3.5
269.18872	10.1
271.14969	2.6
271.20380	2.7
272.15390	2.0
273.16077	4.2
273.18634	4.1
274.17081	2.1
275.17911	5.2
277.19467	4.5
281.12875	1.8
281.18976	6.1
283.20493	7.2
285.18674	3.6
285.21811	2.2
287.20129	5.0
289.19366	3.4
291.17294	2.0
291.20911	2.2
295.20529	5.9
299.19992	5.1
301.21664	3.7
307.20413	3.6
311.19992	2.8
317.22354	2.4
331.24139	3.6
347.23734	2.3
349.25339	4.2
359.23425	2.6
361.25168	3.8
362.25787	2.5
365.24673	3.1
367.26190	3.3
375.26611	2.3
377.24667	2.7
401.28452	2.5
465.03534	2.0
518.23932	2.1
547.39160	2.8
565.40613	9.0
583.41858	12.3
601.42090	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	601.423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	10.0
57.07068	14.6
57.46284	3.3
59.04979	8.5
61.43055	3.1
67.05486	15.3
69.03441	7.1
69.07057	9.7
79.05481	18.3
80.12221	2.7
81.07050	27.6
83.04977	4.8
83.08601	8.5
84.08125	3.2
85.06488	4.7
89.06039	5.5
91.05460	28.7
92.22835	2.8
93.07029	44.3
94.07406	4.4
95.04963	9.0
95.08597	21.6
97.06516	3.9
97.58953	3.0
101.75908	3.4
103.05415	5.0
105.07014	48.3
107.08571	23.8
109.06487	14.7
109.10123	11.9
111.08074	4.0
117.07008	11.9
119.08554	46.7
121.06469	4.7
121.10124	30.0
123.08076	16.1
123.11688	4.6
125.05979	3.9
125.09616	3.7
129.06999	8.9
130.07750	4.9
131.08546	24.1
133.08597	3.8
133.10088	23.1
135.08083	12.4
135.11661	9.2
137.09590	17.2
141.06987	3.3
142.07770	8.2
143.08534	16.3
145.10091	32.6
147.08044	21.3
147.11674	15.0
149.09669	5.9
151.07507	14.1
155.08524	9.7
156.09204	3.7
157.10136	20.2
159.11671	21.9
160.90053	3.1
161.09596	6.4
161.13246	6.2
163.11194	9.5
165.09116	48.3
168.80161	2.8
169.10107	9.0
170.10684	3.3
171.11702	15.5
173.13266	12.0
173.15015	2.6
175.11212	5.3
175.14857	6.0
181.10057	5.8
181.12267	7.3
182.10876	3.9
183.11676	8.5
185.13290	7.3
187.11215	4.3
187.14748	4.3
189.12732	5.2
193.10115	6.8
195.11665	7.3
196.12422	5.5
197.13261	11.7
199.14772	4.5
203.14316	15.2
207.13728	5.2
209.13293	6.7
209.15140	3.1
211.14842	5.8
221.15334	100.0
222.15692	9.2
222.47255	3.1
223.38676	3.0
229.68596	3.4
237.16304	3.7
243.05052	2.8
247.16872	5.6
283.26321	3.9
286.19321	4.0
287.20001	3.7
299.19797	5.0
300.20621	4.0
301.21536	5.5
301.29184	3.0
315.21426	3.0
333.47995	4.8
353.24319	4.5
354.57346	3.1
365.24695	3.7
367.26291	9.0
390.25519	3.8
440.28604	3.3
491.35086	12.5
521.36127	6.9
548.44623	3.7
583.41431	16.7
601.42206	44.5
601.55908	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	601.4223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02346	2.5
53.03935	5.0
55.05503	19.5
57.07063	66.4
58.07388	7.9
59.04986	14.0
59.30758	2.7
60.05339	2.7
65.03921	3.7
67.05487	31.3
69.03409	15.5
69.07055	24.9
69.07387	3.3
69.24406	8.5
69.24828	18.2
71.04975	7.4
71.08617	42.6
72.08937	7.9
79.05480	32.4
81.07040	48.3
83.04968	21.3
83.08612	16.8
85.02876	2.7
85.06515	6.4
85.10165	33.4
86.10515	7.8
87.04446	14.2
89.06012	50.2
90.02587	2.4
90.06350	9.3
91.05463	53.5
92.05824	4.1
93.07023	87.3
94.07359	3.4
95.04946	26.1
95.08582	42.9
96.08915	3.9
97.06515	16.4
97.10194	3.2
98.20782	5.7
99.11703	4.4
100.81609	2.2
103.05479	5.6
103.07568	4.3
105.07011	100.0
106.07348	8.4
106.38377	2.3
107.04936	2.9
107.08569	78.3
108.08914	3.9
109.06479	17.4
109.10143	42.4
110.10509	4.6
111.08041	7.5
111.11697	3.5
113.09669	3.3
115.05468	8.4
117.06980	26.5
119.08553	92.5
119.89886	2.3
120.08893	7.9
121.06477	14.4
121.10117	86.4
122.10422	3.6
123.08047	22.3
123.11705	7.3
123.79316	2.9
125.09641	16.4
128.06155	13.7
129.06993	21.2
130.07753	9.3
131.08545	41.3
133.06541	3.9
133.08601	36.0
133.10101	57.6
134.08928	7.8
135.08008	15.6
135.11662	16.5
137.09587	11.4
139.11157	7.5
141.06966	9.4
142.07759	31.2
143.08542	44.2
144.09229	9.5
145.06485	3.0
145.10100	76.0
146.10434	7.7
147.07988	15.2
147.11652	23.6
148.08432	3.0
149.09586	20.2
149.13257	3.1
151.07497	4.7
151.11130	4.1
153.06975	5.6
154.07762	3.9
155.08502	18.6
155.10646	8.3
156.09306	21.5
157.10091	61.1
158.10594	11.9
159.08043	21.6
159.11674	39.9
160.08424	3.6
160.12111	5.0
161.09598	15.3
161.13228	7.5
163.11168	10.7
165.07010	7.8
165.09114	11.3
167.08516	7.5
167.10638	60.2
168.09195	6.4
169.10100	27.2
170.10657	7.9
171.11662	43.8
172.12161	6.5
173.09727	6.2
173.13260	23.8
175.09747	3.3
175.11176	11.8
175.14771	13.4
177.11183	17.4
177.12680	5.9
178.11516	6.0
179.08498	13.7
180.09178	6.4
181.10100	18.4
181.12167	7.4
182.10820	14.8
183.11639	29.6
184.12198	9.7
185.09590	4.4
185.13210	28.3
187.11096	6.9
187.14760	13.3
189.12688	6.0
191.08720	3.1
191.10696	3.5
191.14258	8.8
192.09305	6.5
193.10104	12.4
194.10861	8.8
195.11661	24.2
196.12332	10.1
197.09630	2.9
197.13194	28.1
198.13763	6.4
199.11197	5.9
199.14813	17.3
200.15002	3.0
201.12730	7.4
201.16341	7.6
203.14291	8.4
204.14613	4.2
205.10071	4.3
206.10786	3.5
207.11665	19.6
207.13565	4.1
208.12352	10.0
208.14287	2.4
209.13211	27.0
209.15120	5.7
210.13811	8.6
211.14781	20.7
212.11772	3.3
212.15273	6.0
213.12790	5.1
213.16289	6.2
214.22462	3.2
215.14230	7.6
217.15657	4.3
218.10864	2.7
219.11684	7.6
220.12340	7.4
221.13264	17.0
221.15392	25.7
222.13966	8.3
222.15834	3.4
223.14729	12.8
225.12721	6.3
225.16356	9.7
227.14171	6.2
231.11569	3.3
232.12180	2.8
233.13127	8.0
233.15303	40.5
234.13850	4.4
234.15996	6.0
235.14734	10.5
236.15295	4.3
237.12674	3.5
237.16360	7.9
239.17902	5.1
241.15776	2.7
245.13231	3.6
247.14786	7.8
248.15367	4.2
249.16351	10.9
250.16745	3.7
251.14174	2.7
251.18073	3.5
253.15833	2.9
255.17436	10.4
256.17786	7.6
257.18817	3.8
259.14734	4.0
261.16187	6.1
262.16888	4.6
263.17889	8.0
265.19397	6.1
267.17352	3.1
269.18939	9.3
270.19476	5.2
271.14560	3.1
271.20432	4.1
273.18646	3.3
275.17825	4.1
283.20514	6.6
287.19989	5.4
289.19513	3.7
291.20853	4.3
295.20462	4.3
299.20032	6.3
347.23627	5.0
349.25067	4.6
365.24396	4.8
366.25040	4.6
367.26672	3.7
371.22693	8.5
372.23068	10.6
383.25244	3.2
425.82834	3.1
439.77023	2.9
565.40448	3.7
583.41034	9.9
584.44348	3.5
601.41827	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	601.4224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	2.0
55.01883	1.4
55.05503	6.3
57.03428	2.3
57.07067	23.6
58.04211	1.4
59.04985	10.5
62.09960	1.1
67.05501	9.3
69.03419	6.5
69.07058	5.4
70.13174	5.6
71.04991	1.4
71.08613	13.9
72.05759	1.4
73.06548	1.9
79.05480	13.1
81.07046	16.7
83.04979	4.3
83.08612	3.6
84.17867	1.4
85.06532	3.3
85.10174	12.6
87.04446	4.4
89.06020	10.6
90.01897	6.4
91.05467	17.7
92.05788	1.7
92.28706	1.3
93.07029	29.3
94.07339	2.0
95.04938	7.2
95.08593	19.4
97.06526	3.6
97.10139	1.5
99.11700	2.1
103.05444	1.8
103.07539	1.8
105.07018	35.8
106.07323	3.6
107.08582	18.8
108.08877	1.9
109.06496	6.5
109.10152	8.3
110.06784	1.2
111.04445	1.3
111.08080	1.6
115.05437	2.7
116.08331	1.4
117.06988	8.0
117.09100	2.8
119.08566	35.1
120.08875	2.7
121.06462	6.1
121.10130	18.1
122.10499	1.7
123.04444	1.3
123.08046	12.7
123.11714	2.0
125.05988	2.9
125.09655	2.8
128.06241	3.4
129.07011	7.4
130.07802	2.7
131.07094	1.7
131.08549	16.8
132.08954	1.7
133.06435	2.1
133.08630	5.8
133.10110	19.9
135.08067	10.5
135.11653	6.3
137.09599	12.9
139.11194	1.4
141.06984	3.4
142.07745	7.3
143.08537	12.0
144.09308	3.7
145.10115	27.1
146.10461	3.7
147.08026	16.2
147.11659	5.4
148.08386	2.2
149.09608	5.3
149.13229	1.6
151.07501	10.8
151.11096	1.9
155.08504	3.7
156.09259	4.5
157.10120	20.2
158.10699	3.9
159.08032	3.6
159.11679	15.9
160.08815	1.9
160.12067	2.2
161.09543	4.9
161.13235	3.7
161.94331	1.5
163.11183	8.5
165.09093	38.7
166.09435	2.6
167.08551	2.3
168.09259	4.0
169.10092	6.9
170.10794	4.1
171.11714	8.8
172.12190	3.7
173.09608	2.4
173.13226	5.7
175.11157	4.8
175.14812	4.7
176.11414	1.5
177.08939	1.4
177.11197	2.8
179.08632	2.5
179.10501	1.3
180.09291	2.3
181.10069	4.9
181.12230	9.3
182.10858	3.5
183.11681	8.9
184.12276	1.9
185.09644	1.9
185.13242	5.3
186.13759	1.5
187.11221	3.6
187.14763	4.1
188.15013	1.5
189.12682	3.1
190.13530	1.6
191.14172	2.5
193.10204	3.0
193.12125	1.8
194.10878	2.5
195.11674	8.5
196.12277	2.4
197.13245	6.8
198.13683	2.9
199.11159	2.2
199.14764	2.0
201.12694	3.5
201.16339	2.8
202.70517	1.3
203.14293	13.6
204.14708	1.9
205.12312	1.3
206.11052	1.3
207.11673	4.5
207.13792	5.2
208.12260	2.7
208.14311	1.9
209.13249	6.5
209.15173	2.2
211.14749	3.7
212.15240	1.4
213.12682	2.8
213.16304	2.1
220.14336	1.7
221.13348	5.9
221.15321	100.0
222.13799	2.3
222.15726	7.4
223.14659	2.5
225.16437	2.9
233.13165	2.5
234.13927	1.6
234.16127	2.9
235.14583	2.8
235.16675	2.5
237.16423	1.6
239.14229	1.8
247.14690	2.1
247.16933	3.4
269.19220	1.5
274.19214	2.2
277.19553	1.4
282.18878	1.5
286.19250	1.3
287.19971	4.3
296.20853	1.7
299.19968	4.6
300.20493	2.9
301.21646	1.7
311.20203	2.0
312.20599	2.4
313.21503	1.7
325.21512	2.6
326.21948	2.7
338.22040	1.8
351.23032	1.8
352.23849	9.4
353.24261	12.9
365.24603	2.6
366.25058	3.3
367.26248	2.7
375.26779	2.1
450.37637	3.5
455.31354	2.2
473.24036	1.3
489.35468	1.6
491.35110	7.8
506.33401	1.9
508.34906	2.3
509.35794	4.6
520.35394	4.8
521.35852	31.6
583.41479	11.1
586.40106	1.6
601.42432	39.2
602.43262	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	601.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46756	0.2
53.03915	0.4
55.01841	0.2
57.03384	0.2
65.03933	0.3
66.04698	0.2
67.05486	0.9
67.60634	0.1
68.04984	0.3
69.03391	0.3
69.07055	3.3
69.07406	0.2
69.90466	0.9
76.24351	0.2
77.03904	0.2
79.05458	0.5
80.04969	0.3
81.07013	0.2
83.04954	0.2
84.08094	0.3
91.05458	0.8
92.04939	0.2
93.05732	0.4
93.06980	0.6
94.06544	4.2
95.04957	0.9
95.08546	0.3
96.04412	0.3
96.22771	0.2
97.06479	0.3
104.04913	0.2
105.05717	0.2
106.06524	1.4
107.04890	0.2
107.07269	0.5
107.08518	0.3
108.08096	2.0
109.06450	0.2
110.05961	0.4
112.03959	0.2
112.07553	1.0
116.04913	0.2
117.05688	0.3
118.06517	0.8
119.07222	0.2
119.08541	0.2
120.04437	0.8
120.08077	1.3
121.05200	0.4
121.08809	0.2
122.05997	10.8
123.04375	0.5
124.07510	0.5
126.05473	0.3
130.06508	0.4
130.08557	0.3
132.08012	0.5
133.09926	0.2
134.05988	1.9
135.04393	0.3
136.07542	14.8
138.05446	0.4
140.07027	19.3
142.08542	0.3
144.04387	0.4
144.08034	0.5
146.05969	15.7
146.09618	2.2
147.06693	0.6
148.07532	19.3
149.08232	0.6
150.05432	0.4
150.09106	0.9
152.07033	3.0
154.04878	0.4
154.08536	0.3
158.05980	0.5
158.09441	0.2
159.09108	0.2
159.11621	0.2
160.07442	0.3
161.09564	0.2
162.05426	0.6
162.09052	0.3
164.07027	8.7
166.08598	2.8
172.03874	1.8
173.04692	1.1
174.05463	7.6
174.09082	2.0
175.08675	0.2
176.07027	16.3
177.07671	0.4
182.09554	0.2
184.09822	0.2
187.08701	0.4
188.07037	0.3
190.04935	5.8
191.05678	1.9
192.06505	2.2
194.09598	0.3
195.09134	0.2
196.09750	0.2
197.10698	0.9
198.07692	0.2
198.11534	0.3
199.08499	0.2
200.06950	0.3
201.06583	0.5
201.13853	0.2
209.10715	1.4
210.09210	0.3
210.11438	1.5
211.08591	0.6
211.12210	1.3
212.09160	0.2
212.10881	0.3
212.12839	0.3
213.10110	0.5
214.08685	0.2
216.10164	1.2
218.08043	1.5
220.09843	0.3
221.10660	1.8
222.11313	0.9
223.08649	0.5
223.12173	2.7
224.09291	2.2
224.12851	1.1
225.10176	4.5
225.13518	0.9
226.10899	0.7
227.08061	0.2
227.11679	1.6
229.13283	1.3
233.10690	0.5
234.11412	0.4
235.08530	1.7
235.12183	3.0
236.09044	1.0
236.12894	1.4
237.10123	11.4
237.13580	1.7
238.10936	15.1
239.11714	9.9
240.12460	0.4
241.09673	0.9
241.13368	0.3
243.11124	0.9
244.09724	0.4
246.07668	0.8
247.08566	0.3
247.12161	0.5
248.09293	1.6
249.10153	5.8
249.13889	0.4
250.10875	3.6
251.11734	12.5
252.08961	0.6
252.12436	2.0
253.09630	0.6
253.13278	3.4
254.10287	0.2
255.11235	1.6
257.12750	0.3
261.10104	0.7
261.12408	2.5
262.10867	1.0
263.08417	0.6
263.11737	11.5
264.08838	2.5
264.12473	3.2
265.09732	4.5
265.13278	29.6
266.10416	2.0
266.13992	1.8
267.11200	4.7
267.14481	0.2
268.09497	0.3
268.12061	0.7
269.09973	0.2
269.12674	1.3
270.10968	0.2
271.11026	0.5
271.14349	11.9
273.12265	0.5
275.11679	1.7
276.12399	0.5
277.09662	3.5
277.13263	2.8
278.10367	3.8
279.11188	100.0
280.11923	6.7
281.12741	3.5
282.10446	0.3
282.13495	1.0
283.10699	3.9
283.14291	1.1
284.11411	1.6
285.12280	2.8
286.13223	0.4
287.10751	0.4
287.13809	9.9
289.15411	1.0
291.11191	5.6
292.11993	1.8
293.12744	7.0
294.10095	0.3
294.13397	2.0
295.10703	2.6
295.14322	2.4
296.11459	5.9
296.14972	0.4
297.12253	65.6
298.13007	6.8
299.13928	1.0
303.11108	0.5
305.12479	0.2
307.10703	0.7
309.12253	37.2
310.13037	19.0
311.10355	0.2
311.13754	3.4
312.14529	0.3
313.11731	8.8
315.13220	1.1
316.14352	0.3
319.10727	4.8
320.11313	0.5
321.12250	10.6
322.13232	1.1
323.10178	2.5
323.13760	0.6
324.10934	4.0
325.11716	7.5
326.12451	0.8
327.13516	0.4
330.12341	0.4
330.15930	0.3
331.12814	5.6
332.17450	0.3
337.11725	52.0
338.12506	25.1
339.13297	61.4
340.13934	3.3
341.15536	0.3
342.16245	0.2
344.13953	0.5
349.13861	0.5
357.14774	0.3
358.15482	0.4
360.16895	0.5
364.20477	0.2
367.12860	0.5
368.13950	0.2
369.14801	0.4
370.13022	0.8
372.12964	0.2
372.17026	0.7
372.21075	0.2
372.42068	0.2
374.18665	0.6
382.15424	0.2
384.13300	0.5
384.17389	0.3
386.14859	0.6
387.15662	0.6
388.16345	0.4
392.19748	1.0
396.17313	0.4
400.16473	3.5
401.17160	0.7
402.17889	0.8
406.17847	0.2
414.17957	1.3
416.19629	0.7
418.17529	1.4
419.18311	0.6
420.19086	0.7
424.16565	1.0
425.15295	0.2
432.19052	1.1
433.18005	0.2
434.20627	1.1
437.19312	1.3
438.20148	5.2
442.11462	0.3
442.17535	6.2
443.17831	0.7
444.19141	0.3
446.16980	0.2
448.18469	0.6
450.20160	2.2
460.18555	75.0
461.19226	4.2
462.20239	0.9
464.18060	2.5
465.18896	1.2
466.19635	2.8
478.19611	50.8
479.20255	3.4
480.21182	9.9
559.25433	0.3
583.25397	3.7
601.26392	36.8
602.26746	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80927	0.5
60.39221	0.4
69.03417	0.7
70.06573	0.6
70.67566	0.4
71.52921	0.5
73.02885	0.9
80.45444	0.4
85.02882	1.2
86.06076	0.4
88.02187	1.3
91.05463	1.3
93.07006	0.6
95.08572	0.4
97.02869	1.0
97.88185	0.4
115.03908	0.6
115.05429	1.1
117.06967	0.9
118.05693	0.7
118.06522	13.5
119.04890	0.6
119.08567	0.6
124.07557	0.4
127.03867	1.3
128.78841	0.5
130.06499	1.9
132.08061	3.9
132.45070	0.4
133.04895	0.6
134.02739	0.6
136.11163	0.4
142.06482	1.3
143.07236	2.0
144.06987	0.9
144.08052	11.0
145.02843	0.5
145.04863	1.1
146.05981	55.9
147.04385	1.9
147.06297	0.6
159.09148	5.9
160.07579	0.9
162.62190	0.5
163.05980	0.6
170.05984	3.6
177.05528	0.8
188.07031	100.0
189.07350	1.1
205.09688	56.0
229.10631	0.8
243.69083	0.4
342.45227	0.4
437.13977	1.4
451.44391	0.5
455.15027	0.7
509.63504	0.5
528.67175	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	2.8
57.07064	100.0
58.07399	0.9
59.04987	32.7
67.05503	1.8
69.03389	1.3
69.07046	2.3
71.08617	96.1
72.08939	0.8
79.05474	1.2
81.07036	2.8
83.08597	3.4
85.06515	1.0
85.10165	92.5
87.04451	7.0
89.06011	59.8
91.05442	1.9
93.07005	3.5
95.08585	2.0
97.10152	1.6
99.11128	1.1
99.11711	11.7
101.09639	2.8
103.07553	1.8
105.07012	1.9
107.07044	2.1
107.08554	2.3
109.06464	0.9
109.10109	1.1
111.11722	0.9
116.32085	0.8
117.09104	6.6
119.08551	2.6
121.10136	2.7
130.08597	1.8
131.07008	2.8
131.08539	1.7
132.04419	0.9
133.08577	54.5
135.11726	0.9
141.16339	11.7
145.10088	2.3
147.11710	1.0
151.07646	0.7
157.10089	1.7
159.11568	1.0
167.10660	1.3
169.10143	0.9
171.11707	0.8
175.09653	2.6
177.11177	20.0
178.04962	32.1
191.12708	1.1
195.11946	1.0
199.20526	34.3
219.12294	1.3
221.13713	6.5
239.14915	1.9
240.23129	1.6
257.24664	15.2
265.16550	1.1
283.17462	2.6
309.18973	1.9
327.20074	24.0
367.23212	5.5
371.22714	1.1
385.24265	7.4
415.25098	1.4
425.27374	2.8
491.73798	0.8
583.43787	3.7
600.31549	0.9
600.47168	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	600.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
55.05515	6.0
57.02291	0.9
57.07066	100.0
59.03242	0.8
59.04988	14.8
64.27404	1.0
65.03922	1.6
65.92220	0.9
67.05488	5.7
67.50110	0.9
69.03419	3.0
69.07042	5.5
69.33807	2.4
69.34227	6.9
70.42354	1.0
71.04980	2.0
71.08622	69.2
71.91448	0.9
73.06555	2.6
79.05480	7.3
81.07047	9.2
83.04969	2.7
83.08608	4.3
85.06523	1.6
85.10167	53.9
87.04465	8.4
87.72224	0.9
88.33466	0.9
89.06014	89.7
89.39346	1.0
91.05463	9.8
93.07033	15.5
95.04931	5.7
95.08595	6.3
97.06523	3.3
97.10175	1.9
99.11720	9.6
103.07568	5.8
105.07010	16.8
107.07052	2.3
107.08580	12.7
109.06512	3.7
109.10142	8.4
111.08080	2.0
113.09618	1.5
113.13259	3.2
115.05437	2.7
117.07010	4.7
117.09125	3.2
118.07783	1.0
119.08556	17.6
121.06502	3.0
121.10117	13.0
123.08045	5.4
123.11685	1.2
125.09638	1.4
128.06192	2.7
128.09653	1.0
129.06979	4.9
130.07770	1.5
130.08632	2.2
131.07028	4.7
131.08542	10.0
133.08585	73.7
133.10049	9.8
135.08044	2.9
135.11684	2.4
137.09554	2.2
141.06931	2.3
142.07732	6.0
143.08508	11.3
144.09348	2.6
145.06519	1.4
145.10092	13.9
147.08023	2.6
147.11658	4.3
149.09612	3.3
151.07556	2.6
151.11157	1.2
155.08524	3.8
155.10640	1.5
155.17883	6.0
156.09300	5.7
157.10083	13.5
158.10878	2.6
159.08031	4.0
159.11664	9.3
161.09570	3.6
161.13271	1.2
163.11121	1.7
165.07043	1.9
165.09035	1.2
166.07838	1.1
167.08556	3.1
167.10646	5.1
168.09340	1.3
169.10143	8.6
170.10884	3.0
171.11661	9.0
173.09631	2.5
173.13208	5.1
175.09633	4.8
175.11172	3.7
175.14796	2.1
177.09659	2.3
177.11200	40.7
179.08498	2.1
180.09296	1.8
181.10121	4.4
181.12224	1.6
182.10918	2.2
183.11688	5.6
185.09544	1.5
185.13176	5.4
186.14093	1.2
187.11143	1.3
187.14757	2.2
189.12630	1.9
193.10178	3.3
194.10791	2.2
195.11635	6.2
196.12421	2.3
197.13197	6.9
199.11134	1.9
199.14786	3.7
202.00325	0.9
203.14305	3.1
207.11670	3.9
207.13521	1.2
208.12511	2.1
209.13217	5.3
210.14076	1.1
211.11099	1.0
211.14804	4.2
212.15611	1.2
213.12701	2.1
213.16476	1.4
213.22070	8.6
215.14275	2.8
218.16594	1.3
219.12061	3.2
220.12538	1.3
221.13571	8.2
221.15443	2.9
222.13847	1.3
223.14816	4.0
225.12770	1.4
227.14288	2.2
229.15781	1.4
231.11671	1.1
233.13269	2.0
233.15401	4.8
234.16069	1.6
235.14777	2.9
236.15402	1.2
237.12953	1.4
237.16345	2.6
239.14662	2.0
241.15889	1.4
249.12802	1.2
249.16251	1.3
255.17377	6.4
257.19153	1.2
257.24698	7.3
259.14917	1.4
261.16217	2.1
263.17941	1.8
265.16406	3.6
267.17465	1.5
269.18933	1.4
270.19836	1.8
273.18689	1.7
277.19550	1.2
281.19058	2.5
283.17563	5.2
287.20264	1.5
299.20227	1.4
307.20352	1.3
309.19000	2.4
311.20367	1.0
313.21753	1.1
325.21872	1.2
327.20206	4.1
353.21597	2.7
365.24771	1.1
371.22687	26.0
371.27185	2.0
383.25858	1.9
411.25909	6.0
554.44659	1.0
583.44073	7.1
600.46381	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	4.9
55.01867	5.8
55.05509	21.5
57.07054	16.5
59.04984	6.1
65.03934	6.1
65.16856	3.8
66.63274	3.9
67.05495	33.3
69.03426	9.7
69.07045	17.1
69.44718	36.8
74.10454	4.1
79.05470	24.3
81.07034	44.0
83.04959	14.8
83.08604	17.3
85.06510	6.5
85.10151	6.2
87.04453	7.5
89.06003	19.0
91.05470	49.1
93.07021	58.2
95.04955	19.2
95.08582	45.9
97.06492	14.7
105.07017	95.0
106.07809	5.1
107.04935	5.2
107.08572	57.4
109.06522	19.9
109.10124	32.9
113.09566	6.6
115.05470	5.7
116.07028	4.3
117.07010	30.5
119.08559	100.0
120.09393	7.9
121.06429	9.5
121.10116	40.7
123.08032	32.8
125.05963	7.0
125.09598	7.3
128.06180	7.0
129.06950	24.3
130.07722	5.1
130.08621	9.1
131.08528	52.7
133.06419	4.2
133.08554	11.3
133.10107	51.2
135.08035	21.2
135.11671	12.9
137.09583	21.3
139.07567	5.2
139.11180	4.7
141.07001	7.8
142.07742	15.7
143.08519	48.8
144.09314	11.4
145.06450	14.5
145.10085	81.1
146.10829	5.6
147.08012	28.9
147.11655	30.6
149.09599	16.8
149.13156	5.4
151.07481	16.0
151.11131	5.3
153.07043	4.9
155.08513	15.4
155.10648	13.2
156.09285	21.6
157.10095	72.2
158.10864	13.5
159.08040	14.9
159.11655	49.3
160.08817	51.9
160.12451	4.4
161.09579	15.3
161.13237	14.3
163.11125	23.5
165.07007	8.5
165.09085	33.9
166.66978	4.2
167.08528	10.2
168.09215	6.3
169.10136	30.3
170.10884	9.2
170.60526	5.1
171.11627	45.3
172.12453	11.1
173.09602	12.2
173.13229	21.3
175.11172	24.0
175.14790	4.8
177.11237	6.3
179.08488	12.1
180.09320	8.5
180.11401	4.7
181.10132	12.3
181.12196	29.1
182.10909	9.9
183.11639	28.8
185.09644	10.0
185.13222	26.6
186.13924	5.4
187.11119	5.6
187.14827	8.2
188.11946	4.6
188.43645	4.0
189.12701	14.1
190.13536	10.3
191.14191	6.2
193.10057	13.3
193.12195	15.0
194.10899	10.5
195.11714	28.1
195.13344	4.2
196.12482	7.1
197.09608	7.9
197.13171	31.5
198.13960	4.7
199.11172	9.4
199.14716	10.8
201.12706	13.0
203.14256	15.8
203.26250	4.8
207.11642	15.1
207.13751	15.0
208.14537	14.1
209.13258	24.6
211.11163	4.8
211.14755	19.4
213.12775	5.5
213.16330	10.3
215.14290	8.8
216.15097	4.3
219.11720	6.8
219.13782	10.8
220.12369	5.3
221.13223	15.9
221.15294	93.1
223.14818	14.2
225.12747	7.2
225.16286	7.9
227.14238	6.0
229.15831	6.9
233.13116	7.1
233.15274	8.9
234.16081	24.6
237.16396	9.6
239.14299	6.5
241.15794	6.7
247.14783	5.5
247.16882	26.1
249.16301	9.4
251.17996	7.7
263.17966	6.1
271.17053	8.4
274.19257	12.5
281.18866	6.4
285.18448	4.8
286.19370	19.7
287.20026	12.1
297.18607	5.9
299.19983	19.0
311.20026	8.5
312.21054	9.3
313.21576	6.8
325.21695	23.3
337.21606	11.7
337.64661	4.2
339.23117	6.4
340.23828	19.9
352.23853	46.3
353.24600	4.9
365.24713	24.1
379.26273	5.6
387.25244	5.0
415.24860	5.9
420.30191	5.4
425.26682	7.7
427.28522	12.1
440.29050	46.0
442.16861	4.7
507.34378	11.7
508.34967	8.7
520.35474	69.5
521.36078	6.3
539.71277	5.6
585.39471	8.2
588.60913	5.0
599.63593	4.8
600.32404	7.6
600.41168	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	600.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.0
55.05498	22.1
57.07064	13.8
58.47373	2.4
59.04984	6.1
64.41125	2.5
65.03921	3.4
67.05491	32.4
69.03408	15.6
69.07053	22.4
69.18514	27.9
71.04960	6.7
77.03922	3.5
79.05476	39.3
80.06257	3.2
81.07037	42.7
83.04955	23.4
83.08595	14.5
85.02889	3.3
85.06510	9.0
87.04422	5.2
89.06016	2.4
91.05458	62.3
93.07027	74.3
94.40603	2.2
95.04937	24.5
95.08587	38.0
97.06522	17.2
97.10077	2.3
101.73581	3.0
103.05431	4.7
105.03212	2.8
105.04430	3.3
105.07005	99.3
107.04897	7.7
107.07866	3.6
107.08569	68.2
109.06497	25.2
109.10140	34.2
111.08100	6.1
113.09625	6.5
115.05405	8.0
117.06981	25.8
119.04895	2.8
119.08554	100.0
120.09309	5.0
121.06497	16.7
121.10117	54.5
123.08030	42.0
123.11652	8.4
125.09635	13.1
128.06180	13.5
129.06956	27.3
130.07764	12.2
131.08537	56.7
132.09309	6.6
133.06419	7.5
133.08560	3.9
133.10103	56.4
135.08040	26.2
135.11623	15.6
137.09552	17.1
141.06929	11.4
142.07753	39.5
143.08534	63.7
144.09328	21.9
145.06448	6.5
145.10085	78.5
146.07184	4.5
146.10822	3.3
147.08002	29.6
147.11646	23.9
149.09560	21.0
149.13167	3.7
151.07527	14.0
151.11154	4.9
153.06917	5.1
154.07721	5.8
155.08560	21.9
155.10634	12.1
156.09335	24.7
157.08757	4.4
157.10095	90.4
158.10915	12.5
159.08032	26.1
159.11661	58.2
160.08809	10.3
160.12373	3.6
161.09560	23.9
161.13223	9.8
163.11150	15.7
165.06932	10.1
165.09055	25.9
166.07652	4.1
167.08513	15.0
167.10623	23.1
168.09294	11.2
169.10095	39.5
170.10832	11.7
171.07939	3.6
171.11662	44.8
172.08810	6.0
172.12419	8.6
173.09563	16.8
173.13226	33.4
174.10359	4.2
175.11145	28.6
175.14766	8.8
177.12637	4.0
179.07161	2.5
179.08449	13.3
179.10684	4.1
180.09283	8.8
181.10112	22.6
181.12146	10.9
182.10817	12.4
183.11647	34.1
184.12373	7.4
185.09573	7.2
185.13197	32.4
186.14040	3.5
187.11157	11.5
187.14784	10.9
189.12737	11.9
190.13455	9.5
191.14249	7.2
192.09277	7.6
193.10092	21.5
193.12154	8.2
194.10898	12.7
195.11621	33.5
196.12402	11.3
197.09567	4.9
197.11615	4.4
197.13217	32.6
198.14061	5.3
199.11122	11.1
199.14819	16.9
200.11758	4.0
201.12660	8.8
201.16394	4.6
203.14265	23.8
205.10054	6.9
206.10872	9.3
207.11641	25.3
207.13733	11.0
208.12450	7.9
208.14368	5.3
209.13211	31.0
209.15137	4.9
210.10455	2.8
210.13884	8.2
211.11104	7.8
211.14731	24.0
212.11911	5.0
212.15614	3.2
213.12671	14.9
213.16335	7.8
214.13448	2.7
215.14282	11.5
217.15781	6.5
218.16490	6.2
219.11627	6.9
219.13614	5.1
220.12407	7.5
221.13202	17.7
221.15305	66.8
222.13928	7.0
223.11151	4.0
223.14729	24.6
224.11928	4.1
225.12724	10.2
225.16251	15.4
227.14238	8.7
227.17853	3.8
228.14926	3.4
229.15799	6.8
231.11612	6.4
231.13617	3.3
232.12416	3.4
232.14557	3.3
233.13184	11.6
233.15327	29.3
234.13882	5.3
234.16060	10.9
235.14783	18.0
236.15450	6.2
237.12624	4.6
237.14778	14.9
237.16618	7.9
239.14154	3.0
239.17896	3.5
241.15747	6.1
241.19489	3.2
245.13182	8.6
246.13971	5.6
246.16225	3.9
247.14705	12.4
247.16917	7.7
248.13899	5.3
249.16266	13.3
251.17877	6.4
253.15820	5.8
255.17381	47.9
257.19022	4.3
259.14798	6.8
259.20648	2.9
261.16266	10.1
262.16989	4.4
263.17996	12.3
265.15869	3.6
265.19412	4.0
267.17368	7.7
268.18173	4.8
269.18936	9.2
270.19867	13.1
271.16989	4.0
273.18448	8.4
274.19153	8.1
275.17648	5.1
277.19498	5.8
279.17392	4.9
281.18958	8.9
283.20334	3.1
285.18597	6.5
286.19455	13.5
287.20062	10.0
289.19351	3.5
294.19559	4.8
295.20456	5.8
297.18445	5.8
298.19235	4.1
299.20004	11.2
303.19431	25.5
307.20459	4.3
309.18610	3.3
311.20035	6.2
312.20660	4.4
313.21451	8.2
323.20221	3.2
325.21463	10.2
329.22610	3.0
333.21896	3.7
345.22174	2.8
349.25232	2.9
352.23929	55.9
360.24701	3.5
361.25491	3.8
365.24612	15.3
377.24347	5.5
378.24677	2.8
383.25793	12.5
394.82074	3.0
502.34235	5.1
507.34521	7.5
508.34833	7.8
520.35376	32.7
582.40118	6.5
583.40411	3.7
585.39063	4.6
591.53943	2.8
600.41418	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	5.7
55.01873	2.6
55.05506	18.4
57.07071	11.5
59.04977	5.3
65.03934	4.9
67.05489	27.8
69.03420	15.7
69.07059	16.4
70.06583	47.9
71.08601	3.1
72.55299	2.2
72.65917	2.5
79.05051	3.3
79.05476	33.6
81.03403	3.2
81.07048	36.6
83.04980	16.5
83.08617	11.8
83.79871	2.3
85.02876	2.7
85.06514	9.2
87.75161	2.1
89.06007	4.9
91.05466	57.0
93.07030	70.2
95.04959	23.9
95.08599	35.5
97.06528	11.7
98.20724	6.8
98.21452	8.1
105.07014	100.0
107.04948	2.9
107.08579	62.6
109.06493	18.5
109.10152	22.2
111.04415	3.2
111.08068	4.3
115.05439	7.0
116.06250	3.5
116.07073	69.1
117.06991	23.7
118.07757	2.1
119.08566	86.9
121.06507	12.7
121.09322	4.8
121.10127	53.3
123.08056	35.3
123.11677	6.2
125.05967	6.4
125.09605	5.7
128.06172	16.7
129.06976	19.8
130.07744	8.4
131.08549	49.3
132.09282	3.6
133.06445	7.9
133.10106	58.0
135.08049	26.4
135.11673	15.9
137.05957	3.7
137.09581	16.1
139.07512	3.3
141.06947	12.4
142.07762	26.9
143.08540	45.7
144.09320	15.0
145.06430	4.5
145.10106	73.5
146.10756	3.9
147.08031	30.6
147.11642	16.5
148.08765	2.8
149.09607	24.8
151.07497	18.6
151.11139	4.7
153.06982	4.3
153.09099	2.3
154.07808	3.1
155.08519	14.9
155.10677	3.2
156.09319	25.8
157.10101	74.1
158.07397	2.5
158.10901	12.4
159.08040	20.7
159.11681	39.9
160.08812	4.4
161.09598	23.6
161.13214	5.4
163.11133	17.3
165.06975	6.4
165.09093	38.1
166.07822	2.6
167.08527	10.5
167.10661	18.8
168.09337	5.4
168.10860	2.6
169.10085	27.0
170.10852	16.2
171.08009	4.4
171.11658	45.4
172.08821	5.4
172.12383	9.8
173.09592	16.2
173.13177	17.3
175.11176	22.4
175.14793	5.2
177.09056	4.8
177.12709	4.6
178.09807	2.8
179.08549	9.3
179.10629	4.5
180.09294	6.3
181.10059	18.3
181.12151	11.2
182.10832	10.2
183.11670	27.8
184.12402	8.3
185.09654	6.6
185.13213	22.8
186.13985	4.1
187.11110	12.4
187.14801	7.2
188.11836	2.6
189.12691	17.2
190.13489	10.1
191.14261	6.1
192.09354	3.8
193.10075	15.1
193.12202	12.0
194.10849	10.2
195.11652	31.2
196.12386	12.1
197.09627	3.7
197.11632	4.4
197.13213	25.9
198.10332	3.0
198.13924	4.0
199.11140	9.9
199.14828	11.3
201.12706	10.5
203.14261	28.8
205.10085	4.4
205.12024	3.1
206.10915	6.9
207.11679	19.7
207.13754	15.2
208.12444	9.0
208.14542	8.3
209.13254	23.8
209.15112	4.5
210.13947	6.2
211.11154	8.2
211.14706	12.8
213.12708	13.0
213.16333	3.1
215.10735	4.0
215.14235	6.2
216.14992	4.2
217.12265	4.1
217.15840	2.5
218.10771	4.4
218.16551	3.3
219.11623	8.1
219.13730	5.8
220.12434	5.8
221.13187	12.3
221.15298	85.6
222.13789	2.7
222.15723	4.5
223.11194	3.0
223.14796	14.8
224.15292	2.4
225.12689	9.0
225.16318	6.2
227.14284	7.4
229.12202	4.8
231.11668	5.5
231.13791	4.0
232.12273	3.0
233.13187	11.0
233.15331	25.7
234.14008	4.0
234.16039	13.8
235.14723	9.7
236.15579	2.7
237.12674	3.8
237.14609	36.4
237.16862	4.4
239.14273	5.5
239.17848	4.2
241.15895	5.7
243.13766	2.7
245.13130	4.5
246.13979	4.5
247.14690	6.3
247.16891	10.3
248.13835	13.9
249.16257	11.5
250.13306	2.4
250.15511	3.2
251.14227	3.6
253.15910	7.1
253.19234	3.4
255.17395	34.4
257.15469	3.3
258.13736	2.9
259.14630	3.8
259.17059	4.9
261.16400	6.7
262.16837	2.7
263.14072	2.8
263.18112	5.0
265.15695	2.7
265.19354	3.2
267.17435	4.7
268.18073	3.7
269.18903	7.0
270.19693	7.6
271.16895	7.1
273.18497	6.5
274.19403	12.0
275.17813	5.3
277.19394	3.2
279.17441	4.4
281.18958	6.9
283.20444	2.4
285.18634	6.2
286.19229	18.0
287.19897	9.8
294.19696	6.6
295.20517	5.5
299.20221	11.3
300.20663	2.9
303.19489	44.2
307.20572	4.1
312.20932	3.8
313.21521	13.4
319.20450	6.3
323.20108	3.9
325.21606	17.2
333.21960	2.8
337.21500	8.4
347.23715	2.6
349.25211	2.6
352.23926	88.5
353.24301	4.4
361.25317	3.1
365.24796	20.5
377.24451	7.5
383.25601	10.0
420.30365	4.6
428.46167	2.8
454.30374	3.6
487.31885	3.8
490.34134	3.0
502.34488	13.6
503.35022	4.2
505.33014	4.6
507.34436	16.0
508.34778	10.6
520.35455	57.5
567.37848	3.8
582.40997	4.3
585.39325	4.8
600.41339	45.0
601.42334	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.7
53.03939	4.7
55.01855	2.7
55.05511	8.8
57.07062	9.6
59.04982	5.8
65.03922	2.1
67.05495	19.1
69.03418	14.3
69.07065	9.0
69.07382	1.9
69.22555	17.1
71.04964	2.3
71.75919	1.6
79.05482	26.7
81.07036	28.6
83.04973	15.7
83.08624	7.8
85.06528	5.3
87.04475	3.2
89.06039	2.5
91.05469	41.9
93.07032	57.8
93.20078	1.6
95.04958	21.5
95.08592	33.0
97.06510	8.2
103.05444	3.7
105.07017	77.3
106.07804	3.5
106.77750	1.7
107.04983	2.9
107.08575	45.1
108.09437	1.7
109.06497	16.8
109.10137	15.2
111.08115	4.1
115.05457	4.0
117.07006	20.8
119.04986	3.1
119.08566	64.2
120.09334	2.8
121.06509	10.1
121.10133	43.9
122.07310	2.2
123.08056	26.9
123.11697	4.7
125.05967	6.5
125.09617	7.4
128.06197	8.9
129.06985	22.8
129.07903	2.2
130.07774	6.9
131.08540	36.2
132.09349	3.9
133.06480	8.7
133.08592	2.6
133.10097	35.0
133.11066	1.8
135.08034	24.5
135.11661	15.7
136.08679	1.9
137.05983	4.6
137.09587	13.7
139.07544	2.8
141.06929	8.1
142.07751	27.2
143.08539	47.3
144.09334	13.7
145.06453	3.6
145.10100	57.9
146.10909	2.7
147.08020	31.9
147.11649	12.8
148.08818	3.5
149.09601	20.4
149.13177	2.2
151.07506	18.0
151.11148	4.1
152.95897	1.7
153.06964	3.6
153.09102	2.2
154.07816	2.3
155.08530	15.8
156.09309	19.0
157.06470	2.5
157.10107	64.6
158.07216	2.3
158.10938	9.8
159.08031	17.8
159.11681	31.5
160.08800	5.0
161.09590	19.5
161.13219	7.1
163.07500	2.3
163.11179	19.8
165.06987	5.5
165.09087	44.1
166.07828	2.3
166.09251	1.9
167.07185	2.2
167.08549	9.4
167.10663	14.0
168.09369	5.8
169.10098	25.3
170.10861	9.6
171.07976	5.3
171.11664	35.2
172.08784	2.5
172.12439	9.8
173.09615	11.8
173.13240	15.8
174.10361	4.5
175.11177	18.6
175.14801	5.7
177.09125	6.1
177.12666	3.2
178.07884	2.2
179.08508	6.1
179.10678	3.6
180.09312	5.3
181.10088	13.3
181.12186	10.3
182.10889	6.3
183.08134	2.1
183.11661	21.8
184.12361	5.0
185.09599	6.9
185.13199	20.2
186.13974	2.9
187.11176	10.1
187.14867	6.0
188.11929	3.7
189.12743	14.2
190.13490	11.6
191.10663	4.2
191.14325	6.2
192.09325	4.2
193.10139	9.8
193.12202	12.3
194.10939	6.0
195.11700	23.3
195.13539	2.9
196.12407	6.4
197.09579	5.7
197.11629	3.0
197.13235	18.6
198.10522	2.5
198.13965	3.9
199.11217	8.0
199.14748	7.7
200.12013	2.4
201.12773	8.0
202.13567	1.9
203.14273	28.9
205.10156	4.3
205.12201	2.4
206.10928	7.4
207.11687	15.4
207.13795	13.5
208.12442	5.5
208.14575	9.0
209.09575	2.7
209.13229	13.8
209.15373	5.0
210.13988	4.5
211.11099	3.8
211.14725	11.7
212.11858	2.7
212.15424	1.7
213.12769	9.0
213.16344	3.3
215.10593	3.0
215.14328	3.9
216.15221	2.5
217.10027	1.8
218.10919	2.0
218.16617	2.3
219.11639	6.5
219.13812	6.5
220.12469	4.4
221.13219	12.1
221.15298	89.1
222.13828	2.0
222.15836	2.5
223.11159	2.7
223.14775	11.1
224.11894	2.9
224.15636	2.0
225.12697	8.9
225.16313	5.7
227.14365	5.7
229.15866	4.4
230.13022	4.0
231.11691	3.5
231.13750	2.4
232.12384	4.3
233.13283	4.1
233.15332	20.4
234.14006	3.3
234.16069	11.5
235.14944	10.9
235.16850	2.9
236.15526	1.8
237.12662	7.2
237.14661	38.7
238.13214	1.6
239.14386	4.5
239.17859	3.1
241.15895	5.1
245.13228	4.6
246.13910	3.5
247.14801	7.3
247.16968	9.5
248.13995	16.6
249.16411	6.7
250.15468	2.1
251.14122	3.2
251.16306	3.3
253.15846	7.0
253.60785	1.8
255.17419	22.3
257.13052	1.9
259.14655	3.3
259.16977	5.1
261.16312	6.3
263.18085	2.6
265.19696	2.0
267.17465	3.2
268.18222	2.4
269.15393	2.6
269.18997	4.7
270.19809	7.7
271.16913	7.3
271.20038	2.3
273.16034	2.6
273.18652	3.7
274.19333	15.0
275.17834	3.5
276.18613	2.8
277.19577	2.0
279.17404	6.8
281.18973	5.4
282.19693	2.9
285.18457	6.2
286.19208	16.1
287.20120	10.9
289.19629	2.2
291.21008	3.1
293.18985	2.4
294.19672	8.3
295.17209	1.9
297.18457	6.0
298.19287	2.8
299.20169	14.7
300.20950	3.0
301.19598	1.8
303.19476	59.2
307.20529	2.3
309.18646	2.5
309.22064	2.0
310.19049	1.9
311.20215	2.6
312.20740	6.9
313.21594	17.9
318.19635	2.1
319.20459	3.6
325.21655	21.2
333.22369	2.0
337.21487	9.7
339.22974	1.8
345.22018	2.2
347.23663	3.2
352.23923	100.0
353.24588	3.2
359.23816	2.8
362.81717	1.7
365.24710	20.3
377.24744	5.7
378.25638	3.5
383.25809	6.3
391.26169	2.7
399.25784	2.3
402.29355	1.9
414.27448	2.5
415.25311	1.8
420.30338	3.6
454.30518	3.3
463.31696	2.5
485.24875	1.7
487.31815	4.0
502.34338	15.3
503.35135	6.1
505.32788	4.0
507.34631	14.2
508.34943	7.1
520.27576	3.3
520.35394	63.3
567.37866	4.0
582.40411	4.6
583.41559	3.5
585.39050	4.5
600.41486	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	600.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	8.9
53.29274	2.3
55.01846	2.7
55.05490	14.2
55.51212	2.4
57.03447	2.6
57.07051	9.7
58.06617	2.2
59.04988	2.9
60.30341	2.8
62.36951	2.4
65.03918	4.8
67.05484	33.6
69.03414	15.6
69.07056	21.2
70.71754	7.9
71.04976	7.3
71.08595	6.4
79.05478	33.9
80.06239	3.0
81.07042	42.9
83.04961	21.2
83.08620	13.8
85.06525	8.0
85.10152	4.2
87.04429	4.2
89.06000	9.4
91.05457	50.3
93.07023	65.1
93.07612	3.7
95.04951	27.0
95.08591	31.5
97.06519	18.2
103.05465	4.5
105.07006	100.0
107.04917	3.9
107.08569	71.2
109.06505	18.8
109.10142	30.5
111.08068	8.0
113.09595	6.1
115.05438	7.9
117.06985	26.7
119.08548	83.9
121.06480	15.4
121.10123	54.8
123.08042	32.2
123.11695	6.6
125.06010	4.3
125.09592	16.6
128.06203	13.4
129.06949	23.5
130.07718	11.0
131.08539	53.4
133.06467	6.9
133.08578	5.1
133.10112	50.8
135.08034	19.7
135.11687	12.9
136.08766	3.0
137.09573	13.3
139.11115	7.3
141.06935	9.7
142.07755	32.4
143.08517	54.7
144.09303	14.9
145.06465	4.9
145.10088	70.0
147.08041	20.6
147.11649	28.6
149.09578	13.5
149.13213	3.2
151.07513	10.2
153.06963	6.5
154.07706	4.3
155.08542	25.4
155.10583	14.5
156.09302	28.7
157.10083	77.8
157.11287	5.6
158.10896	12.2
159.08005	23.0
159.11639	55.9
160.08813	5.9
161.09607	12.6
161.13217	8.6
163.11163	9.2
165.06953	9.4
165.09109	11.9
166.07649	3.3
167.08516	10.4
167.10637	23.4
168.09311	11.6
169.10059	30.4
170.10849	10.1
171.08046	4.2
171.11641	42.8
172.12379	4.3
173.09641	9.2
173.13231	21.7
175.11168	24.0
175.14778	8.9
177.11229	4.4
177.12706	5.5
179.08530	11.3
180.09241	7.9
181.10083	25.9
181.12057	4.4
182.10805	11.8
183.11642	32.5
184.12407	7.3
185.09599	4.9
185.13222	25.2
186.13940	3.5
187.11124	7.9
187.14804	12.6
189.12706	7.3
190.13507	6.6
191.10741	3.0
191.14317	7.9
192.09354	4.7
193.10078	18.0
193.11758	2.6
194.10875	10.9
195.11598	31.3
196.12401	7.8
197.09605	4.1
197.13191	32.1
198.14000	6.1
198.28949	2.8
199.11095	12.1
199.14699	17.0
201.12675	5.1
201.16313	3.8
203.14320	17.3
205.10114	6.4
205.12059	3.5
206.10875	6.9
207.11641	18.4
207.13542	5.7
208.12405	13.0
209.13197	28.4
209.15186	5.1
210.13965	6.5
211.11131	4.6
211.14746	19.8
212.11819	3.3
212.15485	3.6
213.12697	11.6
213.16354	7.4
214.13290	3.9
215.14258	12.5
217.10110	3.3
217.15811	6.8
218.10765	5.7
218.16623	5.6
219.11705	9.8
219.13693	5.0
220.12540	5.5
221.13182	19.0
221.15352	30.8
222.13817	4.0
223.14793	25.8
225.12807	6.0
225.16302	11.6
227.14207	9.1
227.17876	2.8
229.15831	4.5
230.10762	3.6
231.11665	4.9
232.12338	4.8
233.13170	8.9
233.15302	28.1
234.16040	10.4
235.14780	15.2
237.16388	15.9
239.14360	3.5
239.17865	4.8
241.15852	6.7
243.17279	4.0
244.12605	2.9
246.13889	4.5
247.14749	7.3
247.16998	4.1
248.15611	2.9
249.16362	10.1
250.17039	3.8
251.14204	5.0
251.17953	4.9
253.15550	3.9
253.19478	3.5
255.17366	42.0
257.13049	3.3
257.18964	3.1
259.14774	3.9
261.16220	8.4
263.17868	10.1
265.19360	7.3
267.17355	2.9
269.13211	3.7
269.18976	9.3
270.19714	9.2
271.17081	3.4
273.15970	4.2
273.18414	7.1
275.17880	8.4
277.19543	2.8
279.17474	3.8
281.18906	10.0
282.19824	4.8
283.20453	4.8
285.18539	5.1
286.19321	4.1
287.17294	3.9
287.20117	7.1
289.19409	7.3
291.17426	4.0
291.20938	3.4
293.18948	3.0
294.19754	3.4
295.20532	7.1
299.20020	9.4
301.19308	3.0
303.19501	4.1
307.20465	4.7
345.21860	3.7
347.23737	6.3
352.23984	7.1
360.24115	3.4
361.25320	4.0
365.24557	11.6
380.27017	3.0
383.25549	9.4
385.38690	3.0
493.42572	2.9
520.93964	2.8
543.02972	3.2
549.36835	3.0
557.39325	3.8
567.38550	5.0
582.39935	4.4
600.41339	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03905	0.5
53.42287	0.2
55.01864	1.2
55.05499	2.7
56.05000	0.4
57.03390	0.6
57.07047	0.4
58.33982	0.2
58.88781	0.2
58.99572	0.9
59.04966	0.4
62.13609	0.2
65.03896	0.5
67.05490	7.0
68.05006	0.4
69.03384	0.5
69.07052	3.7
69.35898	1.3
69.36307	0.4
70.06535	0.4
71.04946	0.8
71.05299	0.2
73.01118	0.3
74.00647	2.3
76.02207	2.1
76.03965	0.4
76.71780	0.2
79.05476	5.7
80.05001	1.4
81.03360	0.4
81.07039	18.2
82.06535	0.5
83.04979	1.2
83.06075	1.5
83.08599	2.8
84.04486	4.8
84.08083	0.2
85.01071	0.8
85.02847	0.3
85.06478	0.7
86.00626	0.9
86.99001	0.3
87.02625	0.3
88.02167	0.5
90.39301	0.2
91.05461	4.6
93.05739	0.3
93.07024	6.9
94.06543	1.0
95.04950	2.2
95.08585	8.9
96.08051	0.5
97.01096	1.3
97.02847	0.4
97.06519	1.1
97.07044	0.3
97.10131	0.7
98.00562	0.3
98.21488	0.3
99.00854	0.2
99.01407	2.9
99.02631	0.5
99.05507	0.9
99.08041	0.4
100.01568	0.4
100.02178	5.6
102.05497	0.4
102.60536	0.2
102.65403	0.2
103.05396	0.3
105.07010	6.2
106.06505	0.6
107.04945	1.7
107.07291	0.2
107.08570	4.7
108.08057	0.9
109.06495	3.2
109.07608	0.2
109.10133	2.6
111.02632	1.1
111.08026	0.7
112.02166	6.8
113.00516	0.6
113.02940	1.0
113.04141	0.6
114.00020	0.2
114.03725	7.3
115.04045	0.2
115.05791	0.5
116.01656	1.4
117.07005	1.7
118.06513	0.2
119.07784	0.3
119.08551	4.2
120.08053	1.1
121.06506	1.2
121.10113	2.7
122.09606	0.4
123.02591	0.7
123.08009	1.0
123.11701	1.1
125.04201	1.1
125.07042	0.2
125.09564	0.4
126.03722	2.5
126.05508	0.3
127.05762	0.3
127.07507	0.4
128.05228	0.2
129.06519	2.1
130.04973	1.7
131.07555	0.3
131.08536	3.3
132.07973	0.4
133.06432	0.3
133.09018	0.2
133.10101	2.9
134.09578	0.5
135.02585	0.4
135.08031	1.0
135.11684	1.3
136.03905	0.4
137.03030	0.2
137.04163	0.7
137.09547	0.6
138.03706	2.3
139.02139	0.3
139.03186	0.5
139.05688	0.8
140.01614	0.4
140.04205	0.4
140.05254	6.3
141.02409	0.2
141.04770	0.5
141.07088	0.2
142.03156	0.8
142.06804	0.4
143.08492	0.8
144.01128	0.5
145.06070	0.9
145.10094	2.8
147.07970	0.6
147.11647	3.2
148.11044	0.2
149.04172	0.3
149.09576	1.3
149.13219	1.6
151.05693	0.6
151.11089	0.4
152.01665	0.2
152.05264	2.0
153.06499	0.7
153.09079	0.4
154.06813	1.4
155.08350	0.3
157.10043	0.7
159.11664	1.3
161.09550	0.5
161.13181	0.7
162.02129	0.8
162.12679	0.3
163.05724	0.3
163.11156	1.2
163.14755	0.6
165.07314	0.2
165.12743	1.0
166.06776	1.1
167.05215	0.3
167.07587	0.3
168.08385	15.3
169.06029	0.4
169.08743	0.3
169.10075	0.5
170.02597	0.4
171.11649	0.4
173.13246	2.4
175.10983	0.5
176.14218	0.3
177.03241	0.2
177.07268	0.2
177.12657	0.5
179.04836	0.7
180.08374	0.4
181.06012	0.7
183.11714	0.3
185.03743	2.2
185.13309	0.3
186.01978	0.2
187.05304	0.6
187.11075	0.3
187.14810	0.4
189.03275	0.3
189.12685	0.3
190.15762	0.2
191.14244	1.0
193.06018	0.3
193.10539	0.2
193.12233	0.3
199.07097	0.5
200.47955	0.2
201.12860	0.3
202.04063	1.3
203.04706	0.3
204.08551	0.2
205.12163	0.3
207.13736	0.7
208.13345	0.3
208.16933	0.4
209.09198	0.5
209.15329	1.9
210.14906	0.5
211.42188	0.2
215.04735	0.5
215.14261	0.2
216.05574	2.3
218.15321	0.3
222.14871	0.7
229.06259	0.3
230.15338	0.3
231.04291	3.5
233.05875	0.7
236.14456	1.3
236.16496	0.5
241.06366	1.0
245.05997	0.2
247.20461	0.4
248.16341	0.4
255.07922	2.7
256.08881	0.6
257.07404	0.2
257.19003	0.6
263.13486	0.2
264.14111	6.1
265.12390	0.2
265.14856	0.9
269.09479	1.8
270.10275	6.4
271.11111	1.2
275.20004	6.0
280.13666	0.3
281.14401	2.1
282.15167	30.6
283.11032	0.3
283.15552	0.9
286.21518	0.2
292.22620	0.4
293.21002	1.5
307.17084	0.5
308.09201	1.4
309.13977	0.3
321.16141	0.4
322.21844	0.3
323.16071	1.0
323.19763	0.2
324.19882	0.2
325.15585	0.4
332.20328	0.7
333.18729	1.9
335.27881	0.3
336.09290	0.3
339.17224	0.8
350.17093	0.5
350.21393	8.4
351.19675	1.8
368.22476	12.2
369.23032	0.3
378.20792	0.9
384.17056	10.4
385.17804	2.1
392.17627	0.2
407.23706	0.3
427.98563	0.2
435.23004	0.3
453.24094	100.0
454.24399	3.0
471.25357	0.3
479.25494	0.6
507.25220	0.7
525.26141	4.5
537.26062	0.3
582.28882	1.3
582.36603	0.3
583.26697	0.5
600.29395	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	600.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.4
54.96662	0.3
55.01855	1.6
55.05499	4.4
56.05031	0.6
57.03418	1.2
57.07049	1.3
57.98777	1.0
58.99573	15.1
59.04990	0.8
64.55117	0.3
65.03924	0.6
67.05492	8.4
69.03409	1.3
69.06673	0.4
69.07053	7.7
69.45164	3.1
70.02937	0.5
70.06585	0.4
71.04984	0.9
73.01113	0.4
73.02885	1.0
76.02212	71.2
76.03961	2.7
79.05473	6.9
80.05000	0.9
81.03404	0.5
81.07037	10.6
83.04963	2.9
83.06071	1.8
83.08598	4.0
84.04486	14.0
84.08144	0.4
85.01071	0.3
85.02882	1.3
85.06497	0.8
86.09698	0.4
86.99023	3.5
88.02192	1.6
89.06041	0.5
91.05456	7.1
93.07024	9.2
95.04964	2.0
95.08579	7.5
97.01105	0.6
97.02876	1.3
97.06503	1.0
97.10153	2.3
98.21469	0.8
98.43694	0.4
98.66549	0.3
99.04468	0.4
99.05554	1.0
99.08061	0.4
102.05522	0.8
103.05485	0.3
105.07006	9.1
107.04936	2.2
107.08575	6.6
109.06494	4.8
109.10114	3.5
111.02641	0.4
111.08032	1.0
114.03716	0.8
116.01653	21.8
117.06993	2.9
119.08549	6.9
121.06462	3.6
121.10122	4.3
123.08057	2.0
123.11666	1.1
124.02187	0.7
124.07560	0.4
125.09615	1.0
129.06509	1.9
130.04985	5.4
131.08534	6.3
131.97496	0.4
133.06491	0.9
133.10107	6.4
135.08031	1.7
135.11635	2.7
137.09581	0.7
139.52930	0.3
141.04810	0.6
141.06934	0.7
142.03185	7.6
143.08556	1.7
144.01111	12.8
145.06076	1.9
145.10089	4.9
147.08052	1.8
147.11652	5.1
149.09587	2.0
149.13251	1.0
151.11174	1.6
153.06534	0.5
153.09088	0.4
155.08487	0.9
157.10126	1.4
159.08044	0.9
159.11635	2.6
161.03835	0.4
161.09576	1.5
161.13261	1.3
162.02167	38.9
163.11140	1.9
163.14795	0.7
169.10123	0.7
170.02676	3.1
171.11653	0.8
173.09592	1.1
173.13161	2.2
175.11137	1.5
175.14716	0.6
177.12714	1.0
179.04813	100.0
180.05055	0.4
183.11703	0.7
185.13332	0.5
187.05315	2.7
187.11156	0.8
187.14803	0.6
189.11201	0.5
189.12720	0.7
189.16403	0.4
191.14316	0.8
197.13298	0.9
199.05359	0.4
201.12721	1.4
203.14407	0.6
205.19527	0.4
207.13760	3.2
213.16490	0.5
215.04781	1.6
215.17932	0.7
219.13803	1.5
229.19507	0.9
231.17477	0.7
233.05858	11.8
239.17972	1.2
245.05887	3.0
247.20589	1.3
252.05130	0.5
257.18912	4.4
268.34659	0.3
273.18451	2.7
275.19998	30.1
276.20490	0.3
290.07980	0.9
291.06384	2.0
291.19449	1.9
293.21042	21.9
307.17343	0.4
308.09024	34.6
309.09470	0.6
317.26913	2.0
333.18710	0.4
335.27896	1.5
336.09113	1.3
350.21478	0.9
351.19946	0.6
368.22449	11.9
378.21033	1.3
453.24139	4.1
471.25140	5.1
479.25940	0.4
507.25223	0.5
525.26312	4.6
562.51031	0.4
582.28381	1.5
600.29395	17.3
601.29266	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.2
55.05506	14.9
57.03411	4.3
57.07051	4.7
59.04990	2.1
65.03921	3.1
67.05500	44.4
69.07056	19.3
70.44451	5.8
79.05488	24.6
81.06595	3.5
81.07046	52.8
83.08583	7.8
83.41330	1.7
85.06531	2.2
89.06010	2.9
91.05466	18.1
93.07030	31.6
95.04926	2.6
95.08600	48.3
97.06483	3.6
97.10138	4.8
105.07014	18.9
107.08574	21.0
109.10148	24.3
117.07027	4.0
119.08579	21.3
121.10132	18.9
123.11711	9.1
129.06926	3.4
131.08562	14.8
133.10117	16.7
135.11685	13.7
137.13243	3.2
143.08472	4.2
145.10098	15.5
146.08086	2.1
147.11700	13.0
149.13208	8.9
155.08516	1.8
157.10085	6.8
159.11702	15.0
161.13203	8.7
163.14688	2.0
171.11629	6.8
173.13210	8.8
175.14786	5.9
185.13210	5.3
187.14775	4.2
199.14778	2.6
201.16217	2.5
203.17931	1.9
210.14107	1.6
211.14752	2.2
213.16203	2.3
215.18002	2.8
225.16435	2.5
227.17969	2.2
243.20956	1.8
245.19008	3.3
247.20404	2.9
259.20715	2.6
261.22064	4.3
281.86786	1.8
295.22479	1.7
301.25577	2.1
319.22742	2.2
321.24103	3.9
323.25647	4.7
329.37997	2.1
333.24384	2.3
335.25668	7.2
337.27142	4.0
507.41797	8.0
581.45465	14.4
599.46478	100.0
600.46790	6.1
614.66821	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	600.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.4
55.05494	0.4
57.03423	0.5
61.02894	0.3
67.05492	1.0
69.03392	0.8
69.07043	0.2
69.38000	0.3
69.38408	1.6
70.06578	1.7
71.04984	0.4
72.08128	0.9
73.02892	0.6
77.46992	0.2
79.05465	0.8
81.03384	0.8
81.07059	0.4
83.08574	0.3
84.04497	0.3
84.08121	1.3
85.02896	1.2
86.09671	0.8
88.04014	0.2
88.04568	0.3
91.05463	1.4
93.07009	0.5
95.04929	0.7
95.08576	0.6
97.02870	1.0
98.09652	0.7
100.07627	0.5
103.05380	0.2
105.06995	0.9
107.04919	0.8
107.08556	0.2
109.02812	0.5
109.10118	2.1
110.07040	0.2
111.08027	0.2
115.05423	0.8
117.06976	0.6
119.04915	0.9
119.08543	0.4
120.08066	0.2
121.06442	0.4
123.04394	0.3
125.02357	0.2
125.05978	0.2
127.03873	0.5
127.08601	0.3
128.06184	1.1
129.06973	3.5
129.10196	0.3
130.08566	0.3
131.04860	0.4
131.08549	4.3
133.04915	0.4
133.06447	0.8
133.10065	0.5
135.01057	0.3
136.06161	5.8
136.07388	0.3
137.05922	1.0
137.09583	3.3
140.07039	0.2
141.06955	1.2
143.04810	0.3
143.08499	0.8
144.05708	1.5
145.06474	1.3
145.10146	0.3
146.07166	0.6
147.04424	1.4
147.08038	0.3
147.11674	0.3
149.09630	0.2
151.03853	1.3
153.01920	0.2
153.06955	0.6
155.10612	0.4
156.05722	0.2
157.06448	2.2
158.07237	0.7
159.08026	9.3
161.05948	0.8
161.09590	2.2
165.09071	1.9
167.07036	0.7
169.06326	0.3
169.07576	0.7
170.07207	1.2
171.08022	1.8
172.05185	0.6
173.05879	1.2
173.09595	0.5
174.06758	0.4
175.03888	1.1
175.07501	1.1
177.05394	0.2
179.06946	0.5
185.05882	0.3
187.07506	7.4
188.08186	0.4
189.05411	0.4
189.09087	3.2
190.06171	0.3
190.15933	0.2
191.06953	0.3
192.07745	0.3
192.17381	0.3
193.08655	0.4
193.12099	0.4
198.06708	0.3
199.07471	0.8
201.05322	0.5
201.09048	0.6
201.11229	0.3
203.06975	0.9
204.07793	3.9
205.08498	0.8
206.09238	0.3
207.06485	3.2
207.10121	0.5
216.07784	1.1
216.09875	0.2
217.08556	0.6
218.09433	0.5
219.10147	2.0
221.07979	0.3
221.11636	1.5
223.05881	0.3
231.10147	2.3
233.11693	1.4
234.08853	0.5
237.11171	0.4
239.12769	1.2
249.11168	100.0
250.11504	1.2
251.12720	2.7
252.17139	0.3
257.13724	0.9
267.12210	6.1
297.13147	0.7
303.04715	0.4
304.05191	0.4
332.69321	0.3
346.28464	1.7
352.17892	0.3
371.16849	1.2
372.26257	0.4
372.73608	0.2
389.18021	1.6
390.27499	0.9
407.17648	0.3
414.87723	0.2
416.80850	0.2
436.10080	0.3
436.88989	0.3
454.11490	0.6
467.09769	0.2
468.09799	0.8
582.20117	0.5
600.29474	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
60.86258	0.4
67.05485	0.7
69.07066	0.7
70.06595	0.5
71.08635	0.5
71.09949	1.3
79.05472	0.5
81.07047	1.3
84.08126	0.5
88.04632	0.5
91.05455	0.9
93.07040	1.4
94.04173	1.4
95.04982	0.5
95.08595	0.7
97.06512	0.7
105.07035	0.7
107.08584	1.1
109.10119	0.6
121.10123	1.0
122.03622	4.3
133.10133	1.0
135.11703	0.6
135.32431	0.5
137.05956	100.0
138.06290	1.4
141.12703	0.6
143.08556	0.6
161.21907	0.5
167.10712	0.7
170.15450	1.5
171.11871	0.5
182.15428	2.2
186.72496	0.5
272.19736	0.5
294.20450	2.4
306.20572	5.3
386.05383	0.4
599.24854	1.1
599.32947	0.7
599.41260	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4659
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76068	1.8
54.15691	1.7
55.05501	15.4
57.03420	4.1
57.07048	4.5
65.03917	2.8
67.05492	44.9
69.07053	18.3
71.09367	5.0
76.15488	1.8
79.05070	2.6
79.05475	31.7
80.71358	2.2
81.06600	3.7
81.07040	50.7
83.04964	2.0
83.08606	11.3
85.06510	3.4
91.05453	19.7
93.07031	31.8
95.04935	3.6
95.07991	2.7
95.08588	43.5
97.06499	2.9
97.10120	3.4
105.07013	21.8
107.08580	27.4
109.10136	19.4
117.06974	7.6
119.08559	20.7
121.10112	20.2
123.11699	9.7
125.09590	4.4
128.06190	2.0
129.06979	3.3
131.08545	12.5
133.10104	16.5
135.11658	10.8
137.13234	2.3
143.08446	3.1
145.10054	15.9
147.11682	12.8
149.13222	6.8
157.10045	4.5
159.11655	13.1
161.13228	9.6
162.34628	2.1
163.14781	3.8
171.11667	6.1
173.13188	7.7
175.14786	3.5
185.13179	5.4
187.14719	6.5
189.16370	2.7
197.13199	3.2
199.14742	2.8
203.17876	3.3
217.19424	2.9
223.60912	2.3
229.19481	2.4
241.19450	2.5
242.25584	2.2
243.20889	3.3
247.20464	2.8
259.20334	3.4
261.21988	7.5
266.23682	2.1
267.11218	1.8
310.76761	2.2
319.22510	2.7
321.23984	7.5
323.25708	4.2
335.25552	8.4
341.28220	2.4
507.41629	3.4
581.45660	12.2
599.46381	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.3
55.01860	1.6
55.05492	2.6
57.03402	1.0
57.07054	0.8
62.34586	0.7
65.03922	2.7
65.79609	0.6
67.05482	4.1
69.03403	2.6
69.07047	2.2
69.17131	9.1
70.02924	0.9
70.06577	1.6
71.04969	0.9
72.08149	0.7
73.02885	1.3
79.05465	4.5
81.03394	1.7
81.07037	4.2
83.04962	1.0
83.08597	1.9
84.08115	1.4
85.02893	2.2
85.06538	1.1
89.06019	1.5
91.05468	3.0
92.04988	2.1
93.07019	6.7
94.06554	5.0
95.04951	2.5
95.08578	2.8
97.02885	1.3
97.06507	1.0
98.20803	1.9
103.03880	0.6
103.05473	0.7
105.07034	4.8
106.06507	1.2
107.04929	1.1
107.08580	2.6
108.04450	2.4
109.02887	0.9
109.10124	3.1
109.42695	0.7
119.08551	1.9
120.08082	1.1
121.06487	1.6
121.10125	5.6
122.05997	2.2
123.04408	0.9
123.08076	0.7
127.03902	1.3
129.05444	1.6
131.08533	1.1
133.08568	1.2
133.10098	1.4
134.05962	5.1
136.03928	0.7
136.07520	6.1
137.05954	1.4
137.09506	1.2
138.05469	14.9
138.09099	5.9
139.11145	0.8
140.07143	0.9
141.06924	1.0
143.08554	1.0
145.10107	2.4
146.05949	1.5
147.04387	1.3
147.11656	0.8
149.09624	2.7
151.09665	1.0
157.10136	1.3
158.15341	0.8
159.11670	1.7
162.05475	29.2
163.05045	1.9
164.06990	1.2
165.01836	1.8
166.04982	11.4
167.07047	2.8
170.08400	0.8
171.11667	0.8
178.04994	3.8
180.06491	1.8
181.08722	0.9
182.08389	1.2
183.02878	2.0
183.09142	2.1
184.11229	1.7
184.35660	0.8
185.10687	1.7
186.12770	1.2
195.09172	0.9
196.09877	1.6
197.10706	1.4
198.09090	1.1
199.08632	1.0
206.04356	0.7
209.10733	2.9
210.11542	3.4
211.08701	1.5
211.12143	3.5
212.10707	3.0
213.10219	2.7
213.13864	1.5
214.12263	3.1
215.11729	1.1
223.13190	1.4
225.10162	8.0
228.08885	1.2
229.09709	1.3
229.13271	4.4
230.11783	3.6
238.10918	1.5
239.07915	0.9
239.11844	2.5
240.10158	2.1
241.09631	1.5
242.11693	3.1
243.11263	6.4
244.09766	1.6
245.12794	1.1
253.09738	1.9
254.10435	1.3
255.11240	1.8
257.09262	3.1
257.12796	15.3
259.14279	0.9
267.07666	3.2
267.11145	1.3
268.09604	1.2
269.12885	1.2
271.10715	6.8
272.11496	25.6
273.12222	3.7
275.13950	1.2
277.14432	1.8
281.09180	1.0
285.12286	36.9
286.12500	1.4
297.12350	3.3
299.10202	6.5
301.07111	2.6
301.11795	1.5
303.13336	40.1
304.13803	1.4
313.11688	3.8
315.13614	0.8
325.11987	1.2
326.08905	0.9
337.11749	0.8
341.11331	1.6
378.18240	1.2
420.19162	2.8
434.17123	3.8
438.20129	8.3
458.17114	1.6
459.17636	1.4
474.16449	2.4
519.26440	1.0
571.25342	2.2
581.23663	1.2
582.07025	1.0
599.24841	100.0
600.25287	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	599.2488
Annotation	Mg-Protoporphyrin IX 13-monomethyl ester
Peak:m/z	Relative Intensity
53.03932	1.3
55.01860	1.6
55.05492	2.6
57.03402	1.0
57.07054	0.8
62.34586	0.7
65.03922	2.7
65.79609	0.6
67.05482	4.1
69.03403	2.6
69.07047	2.2
69.17131	9.1
70.02924	0.9
70.06577	1.6
71.04969	0.9
72.08149	0.7
73.02885	1.3
79.05465	4.5
81.03394	1.7
81.07037	4.2
83.04962	1.0
83.08597	1.9
84.08115	1.4
85.02893	2.2
85.06538	1.1
89.06019	1.5
91.05468	3.0
92.04988	2.1
93.07019	6.7
94.06554	5.0
95.04951	2.5
95.08578	2.8
97.02885	1.3
97.06507	1.0
98.20803	1.9
103.03880	0.6
103.05473	0.7
105.07034	4.8
106.06507	1.2
107.04929	1.1
107.08580	2.6
108.04450	2.4
109.02887	0.9
109.10124	3.1
109.42695	0.7
119.08551	1.9
120.08082	1.1
121.06487	1.6
121.10125	5.6
122.05997	2.2
123.04408	0.9
123.08076	0.7
127.03902	1.3
129.05444	1.6
131.08533	1.1
133.08568	1.2
133.10098	1.4
134.05962	5.1
136.03928	0.7
136.07520	6.1
137.05954	1.4
137.09506	1.2
138.05469	14.9
138.09099	5.9
139.11145	0.8
140.07143	0.9
141.06924	1.0
143.08554	1.0
145.10107	2.4
146.05949	1.5
147.04387	1.3
147.11656	0.8
149.09624	2.7
151.09665	1.0
157.10136	1.3
158.15341	0.8
159.11670	1.7
162.05475	29.2
163.05045	1.9
164.06990	1.2
165.01836	1.8
166.04982	11.4
167.07047	2.8
170.08400	0.8
171.11667	0.8
178.04994	3.8
180.06491	1.8
181.08722	0.9
182.08389	1.2
183.02878	2.0
183.09142	2.1
184.11229	1.7
184.35660	0.8
185.10687	1.7
186.12770	1.2
195.09172	0.9
196.09877	1.6
197.10706	1.4
198.09090	1.1
199.08632	1.0
206.04356	0.7
209.10733	2.9
210.11542	3.4
211.08701	1.5
211.12143	3.5
212.10707	3.0
213.10219	2.7
213.13864	1.5
214.12263	3.1
215.11729	1.1
223.13190	1.4
225.10162	8.0
228.08885	1.2
229.09709	1.3
229.13271	4.4
230.11783	3.6
238.10918	1.5
239.07915	0.9
239.11844	2.5
240.10158	2.1
241.09631	1.5
242.11693	3.1
243.11263	6.4
244.09766	1.6
245.12794	1.1
253.09738	1.9
254.10435	1.3
255.11240	1.8
257.09262	3.1
257.12796	15.3
259.14279	0.9
267.07666	3.2
267.11145	1.3
268.09604	1.2
269.12885	1.2
271.10715	6.8
272.11496	25.6
273.12222	3.7
275.13950	1.2
277.14432	1.8
281.09180	1.0
285.12286	36.9
286.12500	1.4
297.12350	3.3
299.10202	6.5
301.07111	2.6
301.11795	1.5
303.13336	40.1
304.13803	1.4
313.11688	3.8
315.13614	0.8
325.11987	1.2
326.08905	0.9
337.11749	0.8
341.11331	1.6
378.18240	1.2
420.19162	2.8
434.17123	3.8
438.20129	8.3
458.17114	1.6
459.17636	1.4
474.16449	2.4
519.26440	1.0
571.25342	2.2
581.23663	1.2
582.07025	1.0
599.24841	100.0
600.25287	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	599.2484
Annotation	Mg-Protoporphyrin IX 13-monomethyl ester
Peak:m/z	Relative Intensity
53.03931	0.4
55.01851	0.5
55.05493	0.5
56.04998	0.2
61.59482	0.2
64.03136	0.4
65.03918	0.8
66.04695	0.8
67.01804	0.2
67.05486	2.4
68.05019	1.3
68.05325	0.2
68.99783	0.2
69.03405	0.3
69.07050	9.1
69.87411	0.4
69.87798	0.6
70.04178	0.4
70.06569	0.3
77.03908	0.3
78.04688	0.3
79.05462	1.4
80.05009	1.1
81.03393	0.5
81.07025	0.8
82.06546	0.3
83.04952	0.4
84.04498	0.2
84.08115	0.8
85.02901	0.2
86.09670	0.3
89.06001	0.2
90.04640	0.4
91.05457	1.3
92.02623	0.4
92.04978	0.7
93.05758	1.3
93.07011	0.6
94.06545	11.0
95.04949	2.6
95.08568	0.6
96.08115	0.5
97.06496	0.8
98.06005	0.2
98.20706	0.2
103.05447	0.4
104.04963	1.3
105.05765	1.1
105.07001	0.8
106.04132	0.5
106.06526	1.0
107.04929	0.6
107.07304	0.2
107.08598	0.4
108.04446	0.5
108.08099	2.6
109.06500	0.4
109.10120	0.2
110.06001	0.9
111.04430	0.3
112.03919	0.4
112.07594	2.4
113.05973	0.2
116.04984	0.5
117.05724	0.9
118.06510	2.4
119.08530	0.5
120.04441	1.6
120.08085	1.3
121.05238	1.1
121.10072	0.4
122.05996	35.3
123.04403	1.7
123.06365	0.3
123.08073	0.2
124.07558	11.3
124.30215	0.2
128.06180	0.3
129.06973	0.4
130.06505	0.6
132.04378	0.5
132.08034	0.5
133.05144	0.5
133.10118	0.4
134.05981	2.4
135.04369	0.6
136.03888	0.2
136.07542	1.6
137.05914	0.3
138.05464	0.9
140.07027	56.8
141.07356	0.4
142.07622	0.2
142.08594	0.8
143.07272	0.4
143.08459	0.2
144.04425	0.8
144.08005	0.7
145.05212	0.9
145.06396	0.2
145.07545	0.4
145.08801	0.2
146.05969	27.1
147.06789	2.0
148.07539	6.4
152.07024	0.6
153.07095	0.2
154.04936	0.4
154.06363	0.2
154.08504	0.2
155.07233	0.3
156.07948	0.3
157.07619	0.2
158.06001	0.3
158.09560	0.3
159.09158	0.6
160.03885	0.4
160.07545	0.9
161.07036	0.5
161.08290	0.3
162.05476	2.3
162.07883	0.3
163.06258	2.0
164.07022	0.8
167.07010	6.1
168.08057	0.6
168.35345	0.2
169.07545	0.5
169.08826	0.4
170.08308	0.4
170.09627	0.9
171.09151	0.3
172.03900	1.9
172.07544	1.7
172.11154	0.3
173.04678	3.7
173.06989	0.4
173.08356	0.4
174.05461	43.8
175.06131	1.0
175.08650	0.4
176.07030	17.1
177.05408	0.3
177.07658	0.3
180.08028	0.5
181.07433	0.3
181.08841	0.4
182.08311	0.5
182.09642	1.2
183.09079	0.9
183.10420	0.2
184.07545	0.4
184.09883	0.9
185.07027	0.3
185.10767	0.5
186.05417	0.3
186.09224	1.0
187.08665	1.0
187.12370	0.3
188.06990	1.0
190.04938	7.6
190.08563	0.3
191.05725	9.0
192.06503	6.1
192.07793	0.2
194.09631	0.6
195.09044	1.4
196.07547	0.9
196.09785	1.0
197.06984	1.0
197.10675	3.8
198.07703	0.6
198.09132	0.9
198.11397	0.4
199.08553	2.0
199.12256	2.5
200.07016	0.5
200.09093	0.3
200.10797	0.5
201.10219	0.7
206.08151	0.2
207.09109	0.8
208.07567	0.3
208.09679	0.2
209.07014	0.4
209.10712	2.4
210.09113	2.0
210.11444	1.6
211.08527	4.9
211.12172	1.4
212.07130	0.3
212.09161	2.4
213.10118	2.9
213.70360	0.2
214.08636	0.3
214.10841	0.5
215.11766	0.7
216.10208	1.5
217.13318	0.5
220.09859	0.3
221.10632	1.1
222.07712	0.5
222.11320	0.4
223.08586	2.9
223.12103	1.2
224.09212	3.5
224.12938	0.5
225.10161	14.1
226.08536	0.9
226.10580	2.3
227.08089	0.9
227.11717	14.7
228.10277	0.3
228.12381	0.7
229.09711	0.6
234.11499	0.5
235.08485	1.5
235.12274	0.9
236.09291	2.0
237.10168	5.6
238.08675	0.5
238.10846	3.6
239.08128	1.1
239.11737	8.1
240.08551	0.3
240.10265	0.5
240.12215	1.0
241.09633	4.5
241.13171	1.1
242.10086	0.2
242.11829	0.4
243.11220	3.6
244.09584	1.0
245.12872	0.7
247.08530	0.4
248.09409	0.8
249.10172	4.1
250.07033	0.3
250.08449	0.3
250.10838	1.6
250.74255	0.2
251.08022	2.1
251.11748	5.7
252.08730	1.0
252.12477	0.7
253.07022	0.4
253.09647	6.9
253.13254	0.8
254.10251	1.0
255.07590	1.3
255.11281	2.1
256.11905	0.3
257.12781	0.7
258.11237	0.3
261.10120	0.7
261.12329	5.8
262.08426	0.6
262.11017	0.9
263.08105	3.6
263.11731	2.4
263.14078	0.3
264.08823	2.6
264.12122	0.4
265.09668	6.6
265.13211	1.3
266.10361	2.0
266.13086	0.3
267.08176	0.3
267.11218	4.6
268.09500	0.5
269.09384	1.7
269.12784	30.6
270.09814	1.3
270.13129	0.9
271.10672	8.6
271.14261	0.9
272.12997	0.3
273.12320	0.3
274.13315	0.3
275.11618	0.7
275.15308	0.3
276.08771	0.4
277.09659	3.4
277.12570	0.4
278.10477	1.8
279.10934	4.2
279.13470	1.0
280.11911	1.0
281.09183	1.7
281.12689	0.7
283.10678	19.7
284.11411	9.6
285.12231	17.9
286.13083	1.5
287.10449	1.3
287.13818	13.3
288.14841	0.8
289.09412	0.3
289.12756	0.6
289.16766	0.4
290.10062	0.3
290.12927	0.4
291.10983	1.6
292.11758	0.7
293.09360	0.3
293.12787	1.3
295.10666	3.5
295.13763	0.3
296.11493	1.8
297.12280	12.2
298.10126	0.4
298.13367	1.7
299.11258	0.8
299.14539	1.0
300.11584	1.9
300.15137	0.9
301.12024	6.8
301.15604	0.4
302.09872	0.2
302.12845	2.9
302.16473	0.9
303.13452	4.3
303.16910	0.3
304.14215	0.8
305.09079	0.7
307.10748	0.8
308.11444	0.2
309.12268	2.1
310.13116	1.5
311.11166	0.6
311.14352	0.9
312.11765	1.1
312.15274	2.1
313.11722	58.0
314.12708	6.6
314.16434	0.7
315.13528	8.5
315.17365	0.3
316.10858	1.0
316.14352	9.2
316.17770	0.4
317.12192	0.3
317.15213	1.9
318.12665	0.5
318.15952	1.2
319.10696	0.4
319.16660	0.7
321.08688	0.4
321.12250	1.2
322.13052	0.4
323.10196	4.1
323.13989	0.5
324.11047	1.8
324.14868	0.6
325.12119	1.3
325.15747	0.7
326.12912	1.4
326.16473	2.6
327.10931	0.4
327.14084	2.0
327.17838	1.4
328.10855	2.0
328.14459	5.8
328.18295	0.4
329.11536	7.8
329.15274	4.1
330.12250	5.6
330.15958	11.8
331.12820	21.6
331.16727	10.2
332.13425	1.3
332.17413	2.4
335.09958	0.3
336.11029	0.7
337.11743	3.0
338.12668	1.6
338.16510	0.4
339.14139	1.8
340.11304	1.0
340.14386	2.1
340.18375	0.5
341.11746	2.4
341.15564	1.2
342.12347	11.9
342.15991	2.8
343.13058	7.8
343.16669	0.7
344.13788	4.0
344.17535	9.3
345.14603	1.5
345.18323	0.3
346.15424	1.7
346.19135	0.9
347.16162	0.8
348.17346	0.2
351.13693	0.4
352.10806	0.3
352.14484	1.9
353.12656	0.9
353.15854	0.5
354.12311	2.3
354.15985	3.6
355.13031	3.1
355.17065	1.0
356.10400	0.3
356.13806	8.3
356.17542	1.2
357.14716	5.5
358.12021	0.8
358.15433	14.5
359.16351	1.4
360.17139	1.5
362.14978	0.3
365.11346	1.8
365.14944	0.4
366.12082	0.7
366.16074	1.0
367.13229	2.4
367.17398	0.2
368.10284	0.7
368.14154	1.7
368.17838	1.8
369.11035	2.0
369.15030	1.2
370.11606	3.7
370.15469	8.1
371.12851	2.2
371.16370	2.1
372.13159	2.1
372.17029	7.6
373.13675	1.4
374.14551	1.4
374.18912	1.7
375.16144	0.4
376.16696	1.1
378.17984	0.3
380.13864	3.0
381.14362	0.9
382.11768	6.3
382.15567	3.3
383.12268	4.9
384.13217	22.2
385.13953	7.9
386.14838	10.4
386.18768	3.7
387.15485	3.4
388.12094	0.4
388.16525	4.7
389.17383	0.3
390.18054	7.7
391.18842	1.3
392.19693	1.2
394.15411	1.8
395.15555	0.6
396.12872	0.6
396.17603	1.3
397.13947	1.4
398.14899	27.6
399.15686	35.5
400.16455	54.2
401.17227	3.5
402.13992	4.6
402.17795	0.7
403.14465	0.5
403.19598	1.1
404.15854	1.4
405.16827	0.7
406.17416	1.3
410.14575	0.3
412.16483	4.6
413.17462	1.4
414.18350	8.6
415.14905	2.7
415.18863	3.5
416.15836	9.5
417.16727	14.1
418.17490	17.8
419.18060	1.0
422.14880	1.7
423.15170	0.3
424.16418	0.3
426.14307	0.7
428.15836	1.0
429.16873	0.5
430.17554	6.5
431.18332	2.9
432.15289	0.6
433.16202	1.4
434.16763	1.4
440.15921	11.4
441.16727	4.2
442.17682	2.0
444.15417	3.5
446.16949	2.4
447.17743	0.9
456.15347	1.2
457.16345	0.5
458.16989	84.5
459.17728	52.5
460.18546	11.8
461.18762	0.6
464.18027	0.7
469.18466	0.4
474.16504	9.2
475.17212	7.6
476.17987	3.4
477.18561	0.3
478.19235	0.3
531.25854	0.5
537.24524	0.3
539.22784	1.1
540.23969	0.5
555.25934	3.3
557.23798	9.2
558.24084	0.7
563.22394	0.7
581.23810	19.7
582.24054	1.7
599.24835	100.0
600.25122	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	599.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	0.5
55.01830	1.4
55.05483	1.3
57.03437	2.4
57.07057	0.4
59.04995	2.0
61.02907	0.8
62.36946	0.4
62.45920	0.4
65.03903	0.5
67.05493	3.6
67.29906	0.3
68.05021	0.4
68.99751	0.5
69.03416	2.9
69.07031	1.1
70.06587	3.3
71.01328	0.5
71.04976	2.2
71.51950	0.6
71.52329	0.5
72.08128	0.7
73.02914	1.9
79.05446	1.6
81.03387	1.1
81.07044	7.6
82.06534	0.7
82.07341	0.6
83.08573	0.6
84.04468	0.6
84.08076	1.2
85.02895	3.7
85.06499	1.5
85.90308	0.3
86.09665	1.6
87.00795	0.7
87.04443	0.5
89.05974	0.7
91.05456	4.5
92.02586	1.0
93.03362	1.4
93.07030	2.7
95.04380	0.5
95.04956	8.6
95.08591	7.7
97.02843	1.5
97.06480	0.8
97.10115	0.6
99.04437	0.6
99.08040	0.9
103.05434	0.9
104.10717	0.7
105.01902	0.4
105.07012	1.8
107.04910	1.4
107.08569	1.7
109.02845	1.0
109.06489	0.8
109.10146	2.3
111.08053	0.8
115.03889	0.7
116.07090	2.0
119.04928	13.2
119.08552	1.4
121.02856	2.4
121.06468	1.4
121.10116	1.9
122.05976	0.6
123.04411	18.5
123.07964	0.6
123.11662	1.3
124.07523	0.5
125.05964	0.6
125.09634	0.5
126.03040	0.6
127.03870	1.0
130.04926	0.5
131.04886	1.3
131.08522	0.7
133.04889	1.0
133.10060	1.1
135.11638	1.0
137.02325	2.3
137.05949	2.9
137.09576	0.6
137.13213	1.0
139.11148	0.4
140.06955	0.5
141.01778	0.5
141.12712	4.1
145.04880	0.4
145.06448	0.5
145.10002	1.7
147.04398	8.3
147.11589	0.6
149.06013	0.4
149.09573	0.9
153.01793	10.5
153.05486	0.4
155.14238	1.4
159.07901	0.4
159.11707	0.9
161.05939	0.5
163.03851	0.8
163.11127	0.6
165.01836	1.9
165.05449	5.1
165.09111	0.6
165.11221	0.6
165.12636	0.4
167.07022	1.7
169.15855	0.6
173.09741	0.5
173.13222	0.7
174.05458	0.4
175.14865	0.7
177.05446	0.9
183.02853	0.5
184.07332	0.7
187.14830	0.4
189.11057	0.4
191.07013	0.6
198.07837	0.4
201.05386	1.1
201.62576	0.4
203.03412	0.6
207.06487	0.4
217.04941	1.7
218.05643	1.0
219.02773	0.5
228.04138	1.8
229.04906	4.1
231.02873	0.9
245.04414	2.4
246.05133	1.8
247.05948	0.4
256.03543	0.6
257.04370	2.2
273.03854	2.5
274.04672	3.4
275.05365	0.6
279.23102	1.5
280.23654	0.7
283.10852	0.4
284.03079	0.7
285.03918	1.8
285.12216	0.6
287.10291	3.4
297.12152	0.7
297.24374	2.3
298.24496	0.9
301.03311	3.9
302.04175	21.0
303.04935	56.1
304.05243	0.9
315.25183	0.5
327.04886	1.8
333.26431	2.7
339.07715	0.4
351.27249	0.4
360.12671	0.3
384.41376	0.4
388.16934	0.4
419.28937	0.4
421.09116	1.6
431.11337	0.5
437.30157	0.6
467.09668	100.0
468.09885	3.7
474.16592	0.5
581.23395	0.7
599.23749	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	598.4875
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52327	1.1
53.00304	1.3
55.05484	4.6
57.03418	3.4
57.07064	100.0
58.33310	1.3
59.04990	57.4
67.05473	4.0
69.07045	4.0
71.04983	3.6
71.08617	99.8
73.49104	1.4
74.45392	1.1
79.05473	2.4
81.07047	3.9
83.08590	5.5
83.88029	1.3
85.10165	93.5
87.04453	4.7
89.06015	15.4
91.05473	2.9
93.07022	2.9
95.08569	3.9
96.08949	1.2
97.10154	1.5
99.11720	14.0
101.05979	1.8
101.09624	6.5
103.07562	5.9
103.16838	1.2
105.07018	2.3
107.07052	1.9
107.08556	3.7
109.10136	2.5
117.09119	20.3
119.08530	2.0
121.10092	2.4
121.37394	1.5
131.08513	1.5
133.08565	12.2
133.10072	1.5
135.11661	1.4
141.16330	11.4
145.10051	2.6
147.11560	2.0
151.09625	3.3
161.64778	1.4
165.09026	2.1
171.11565	2.1
175.13203	1.8
181.19485	1.5
189.11246	1.6
191.12720	4.4
198.65836	1.3
199.20538	32.9
199.22395	1.6
209.13707	3.1
221.15280	3.5
240.23227	3.2
257.24692	41.5
267.17975	2.9
278.94513	1.4
315.28894	4.1
325.38321	1.3
581.45923	1.9
598.28973	7.2
598.48218	3.9
599.40570	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	599.1378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.9
55.01860	3.1
55.05491	2.6
56.04979	0.6
57.03423	4.9
59.04996	0.5
59.35053	0.4
60.04517	0.5
61.02917	0.7
62.23754	0.4
65.03927	0.6
67.05457	1.8
67.05798	0.5
68.99765	0.9
69.03422	5.0
69.07056	5.4
70.06578	5.9
71.01310	1.5
71.04947	2.0
71.06083	0.6
71.54137	0.5
71.54549	0.7
72.08115	1.7
73.02913	2.5
74.06033	0.8
79.05467	1.5
81.03365	1.7
81.07043	2.6
82.06548	0.9
83.04938	1.5
83.08576	1.7
84.04451	1.0
84.08121	2.7
85.02882	6.1
85.06503	1.9
86.06032	1.3
86.09689	2.9
87.04443	0.8
88.98853	0.4
91.05431	1.8
93.07018	3.0
95.04451	0.6
95.04954	7.6
95.08598	2.3
96.08161	0.4
97.02837	2.2
99.04427	2.3
99.85276	0.4
100.11232	10.2
101.11560	0.5
102.03743	0.4
105.01829	1.0
105.06981	1.5
107.04942	7.9
107.08540	1.8
108.08884	0.5
109.02855	1.7
109.06499	1.6
109.10181	2.1
109.10821	0.4
110.06065	0.5
110.07075	0.6
111.00742	0.9
111.04433	1.3
111.09341	0.4
111.11684	1.8
115.03867	1.7
118.03166	1.2
119.04888	0.6
119.08541	2.0
120.08935	0.5
120.46686	0.5
121.02835	2.8
121.06485	0.7
121.10112	3.6
122.02655	1.1
122.06024	0.7
122.10464	0.8
123.04407	32.3
123.08043	4.4
123.11641	0.6
124.08383	1.5
127.03872	1.5
128.07034	0.9
129.09058	0.6
129.10168	1.6
129.12704	1.3
130.03113	0.8
131.08531	0.8
133.04962	2.2
133.10075	1.5
135.04338	0.6
135.11658	2.5
136.07527	0.8
137.02315	9.3
137.03345	0.4
137.05901	1.4
137.09598	1.0
138.09985	0.8
139.08598	0.9
140.07019	0.8
145.10095	0.6
147.04422	2.2
147.05838	3.4
147.11661	0.8
149.07413	0.9
149.09576	1.8
149.13235	0.7
151.03859	0.6
151.07480	0.5
153.01773	2.6
159.02975	0.5
161.02382	0.5
161.05891	1.0
163.03824	1.2
165.01837	1.2
165.05498	4.8
167.06966	0.6
171.04318	0.6
173.05904	0.7
175.14784	1.3
176.15053	0.6
177.05434	0.6
179.03426	0.6
182.15352	3.8
189.01784	0.6
191.03389	1.1
193.15884	3.8
194.16182	2.4
201.05438	1.6
205.01247	1.4
209.16483	4.5
210.14868	3.8
210.16667	0.8
211.15132	0.9
211.16895	4.8
212.17216	2.8
217.01242	1.0
219.06337	0.6
226.19080	1.5
229.04904	3.9
239.03349	0.6
241.17995	0.8
243.11284	0.9
247.05923	1.1
247.17154	0.5
253.04955	0.7
253.17802	0.5
254.18262	0.6
257.04395	4.0
259.10907	0.6
261.21936	0.6
263.07184	0.6
265.08380	0.6
270.12640	1.1
271.06000	1.2
277.12195	0.8
281.04568	0.8
285.03854	2.0
285.12289	1.8
287.09903	0.5
291.06570	0.6
297.24124	1.0
299.05386	0.6
303.04935	85.1
304.05255	1.9
305.05493	0.6
308.26758	0.5
315.04626	1.0
326.27698	1.0
329.02869	1.9
329.06528	3.4
331.04337	1.2
332.18475	0.5
336.22818	1.4
345.06003	0.6
347.03888	5.4
355.04404	6.6
365.06329	1.1
373.05435	1.4
379.08142	0.5
383.11346	0.6
390.07181	0.5
395.11148	0.7
399.07040	1.3
407.07468	19.8
408.07730	0.6
417.08093	1.4
431.13229	0.7
435.33359	1.9
436.33505	0.7
449.08524	9.6
451.19824	3.2
453.34311	19.2
454.34613	5.6
458.17560	0.5
467.09650	100.0
468.09995	1.6
469.21051	1.6
520.81427	0.5
542.29889	1.0
581.27063	0.5
599.25842	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	598.488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89495	0.6
55.05502	2.3
57.03427	1.7
57.07064	100.0
58.06568	0.7
59.04990	38.5
67.05516	1.9
69.07056	3.0
69.67866	4.3
70.89973	0.8
71.08617	76.0
79.05495	1.7
81.07056	1.6
83.08613	2.7
85.10168	58.8
87.04457	2.2
89.06011	19.2
91.05464	1.1
93.07036	1.2
95.08612	1.5
97.10141	3.3
99.11711	10.8
99.12314	0.9
100.07632	0.8
101.06023	0.8
101.09647	4.5
103.07574	1.0
107.07047	0.7
107.08575	0.9
111.11724	1.0
113.13283	5.0
115.07539	1.1
117.06944	0.6
117.09114	11.5
120.09915	0.7
123.08044	1.0
125.74862	0.7
130.08623	1.6
133.08569	6.1
135.10245	0.8
143.08566	0.7
143.70172	0.6
147.10210	1.1
155.17917	10.9
159.13890	0.8
175.09778	0.7
175.13303	1.0
177.11200	5.9
177.12552	0.9
195.12201	5.8
213.22090	23.9
235.15414	1.7
253.16409	5.0
254.24901	2.6
263.68390	0.7
271.26273	27.9
274.86502	0.6
293.19620	1.1
304.98889	0.7
311.20575	3.7
329.30658	2.8
337.27637	0.9
351.23468	0.7
369.24966	1.3
379.40747	0.8
563.39484	0.7
581.46375	1.9
598.49011	4.2
598.62421	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43951	0.6
53.03939	4.6
53.04148	1.0
55.01864	9.4
55.05497	4.4
57.03412	2.9
57.07066	21.7
61.02900	0.7
67.01852	0.8
67.05489	9.6
69.03418	19.3
69.06773	0.6
69.07058	6.9
69.49790	3.7
69.50217	1.9
70.06582	13.8
71.04984	7.4
71.08224	1.1
71.08619	21.0
73.02902	5.0
79.05470	1.4
81.03403	25.2
81.07043	10.7
83.04975	1.0
83.08606	7.9
84.08093	0.9
85.02888	11.2
85.10159	10.3
87.04414	0.6
88.07615	1.7
89.05988	1.2
91.05450	2.1
93.07033	3.1
95.04936	0.8
95.07980	0.7
95.08591	17.3
97.02878	30.0
97.03511	1.5
97.06522	1.1
97.10141	3.7
98.20772	1.4
99.04438	50.6
102.09093	0.8
105.07009	2.1
107.08587	1.5
109.02862	45.2
109.10141	9.1
110.03196	0.8
111.04428	1.2
111.11678	1.6
115.03902	0.8
116.07073	22.5
119.08546	2.8
120.82191	0.7
121.06515	0.6
121.10134	2.6
123.08008	0.9
123.11702	2.4
127.03895	100.0
128.04201	1.1
130.08603	0.9
131.08531	1.5
133.10089	0.7
135.07982	0.9
135.11676	1.1
137.13248	1.9
143.08502	0.8
145.04944	14.2
145.10095	1.2
147.08044	0.7
147.11690	0.9
149.05971	2.9
149.09564	0.9
157.10143	1.5
159.11688	1.2
167.10634	3.5
181.12285	0.9
182.88782	0.7
195.11649	1.1
213.14609	0.7
213.18520	1.0
221.13321	0.7
221.15379	1.1
221.22713	0.7
233.15327	1.6
239.23650	16.9
257.24640	1.8
284.29443	2.2
311.25580	4.1
335.25848	4.0
339.29007	1.8
341.10193	3.0
344.40552	0.8
353.08371	0.7
365.26721	1.1
383.27847	33.1
384.28391	1.7
401.28912	55.7
402.29282	2.9
437.00217	0.7
450.46436	0.7
492.30161	0.8
530.59784	0.7
598.37848	6.1
599.41022	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	598.4517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	3.2
57.03423	2.4
57.07067	100.0
58.07396	0.8
59.04993	32.3
67.05477	3.5
67.68744	1.0
69.07050	3.3
71.08621	82.0
73.02907	45.3
79.05473	2.6
81.07049	4.5
83.04993	0.9
83.08596	4.7
85.10171	69.6
87.04451	5.1
89.06013	13.0
91.05469	3.1
93.07021	3.8
95.08601	4.2
97.10148	3.1
99.11729	12.1
101.09650	2.9
103.07544	1.4
105.07007	3.5
107.08577	2.9
109.10148	1.6
111.11687	0.9
113.13242	4.7
117.05493	1.6
117.07004	1.1
117.09129	6.8
119.08549	2.9
121.10098	2.9
127.14796	1.4
130.08636	1.2
131.08493	1.0
133.08575	6.6
133.10078	2.0
137.09602	1.0
141.16380	1.8
143.08498	1.3
145.10060	1.9
147.08020	1.2
147.11717	1.1
155.17938	9.6
157.10068	1.7
159.72824	0.9
163.11137	1.3
165.09058	1.3
171.11638	1.3
175.09656	1.4
177.11195	3.1
185.18965	7.0
197.11586	1.4
197.13210	1.0
197.62354	0.8
198.10312	1.1
198.12057	1.0
199.20401	1.3
205.10672	7.8
212.05276	0.9
213.22105	18.8
221.15393	2.9
226.21710	0.9
239.14902	0.9
243.23196	8.3
249.13237	1.3
254.24696	2.8
257.24731	1.1
271.26248	8.4
283.17520	10.2
311.16943	3.4
337.27240	2.5
341.21521	3.1
369.21146	3.0
563.38727	1.4
598.45331	15.9
599.40991	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	598.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68564	0.4
55.01886	0.6
55.05499	1.6
57.07064	0.4
60.04515	2.8
61.79633	0.5
67.05473	2.3
69.02789	0.4
69.03442	1.0
69.04547	0.7
69.07052	2.0
70.02966	0.6
70.06577	2.8
71.04980	1.0
71.08620	0.5
71.52341	0.8
72.04476	0.5
72.08144	0.7
75.05612	0.9
79.05482	1.8
81.03414	0.8
81.07047	3.5
83.04969	1.4
83.08594	1.0
84.08124	1.2
85.02884	1.8
85.06496	0.7
86.09692	100.0
87.05566	0.6
91.05469	2.0
93.07024	3.8
94.06567	0.6
95.04955	1.3
95.08604	2.5
96.28545	0.4
97.02827	0.5
97.06512	0.7
97.10157	0.5
98.09676	10.3
99.05564	2.9
101.06057	0.4
105.07063	2.3
107.04954	1.1
107.08578	2.6
109.02892	0.5
109.06503	1.0
109.10140	1.4
110.07124	0.5
115.05013	0.9
117.06610	2.0
119.04950	0.5
119.08584	2.7
121.10122	2.0
122.06039	1.0
123.08079	0.8
123.11669	1.0
124.07553	0.6
125.05932	1.0
126.09167	1.4
127.03929	1.4
127.05029	6.7
127.12292	0.8
131.04890	0.8
131.08556	0.9
133.06543	0.9
133.10147	1.6
135.08057	1.1
135.11664	0.9
137.05917	1.0
137.09689	0.6
139.05031	3.5
143.08578	0.7
143.11766	17.9
144.07761	0.6
145.02864	1.0
145.06039	4.5
145.10135	2.0
147.08031	0.9
147.11665	0.7
154.15897	5.1
155.04520	0.6
155.08496	0.6
155.11746	3.1
156.07649	2.8
157.06184	1.3
157.10170	0.7
159.11757	0.8
161.09503	0.5
162.08803	0.6
163.11143	0.7
166.06133	0.6
167.07050	2.6
167.11778	3.8
171.11252	9.0
175.14801	0.4
177.05446	2.2
178.05023	0.6
181.04990	0.6
181.09795	0.6
183.11325	3.1
184.07129	6.7
185.12820	6.9
187.14729	0.5
188.13972	0.5
194.12834	0.9
195.11226	5.3
196.07216	1.1
199.18022	1.6
201.09837	1.4
201.16360	0.5
202.08141	2.8
206.04533	0.9
210.12492	0.7
211.14948	0.9
211.18025	20.8
212.13914	1.5
213.10078	1.0
213.12379	4.0
221.16544	0.6
222.12358	0.7
224.13853	1.4
227.17535	0.8
228.13451	2.2
233.11565	0.5
237.13832	0.7
239.15134	0.8
239.17487	8.7
240.13309	2.9
241.09418	1.8
242.14989	0.8
247.16792	0.7
249.15959	0.5
252.13393	8.4
258.14410	2.5
259.10455	1.0
262.12051	0.5
265.17957	3.6
266.18762	0.8
269.12997	0.9
269.16092	4.1
270.14456	6.8
271.10831	0.5
278.18607	0.6
279.14481	0.9
279.23145	1.0
281.15854	0.5
283.10535	0.5
284.19742	1.2
287.05408	0.6
287.17038	2.9
288.05780	0.7
295.10852	1.2
296.19699	2.6
297.15503	2.9
297.24271	0.8
303.04669	0.8
309.15567	1.5
310.13025	0.5
313.11847	1.4
313.22586	0.6
315.16455	2.9
315.19867	0.5
326.18301	1.9
327.16824	0.6
330.16016	0.5
336.16595	0.6
337.22372	1.6
341.21820	1.3
344.19177	1.5
352.26099	0.6
353.21896	0.9
354.17789	1.5
355.23456	1.7
365.21994	1.4
369.28470	0.6
370.15616	0.7
372.18781	1.5
382.24442	1.0
383.22726	5.6
384.13300	0.6
398.14752	0.9
399.15765	1.3
400.16580	1.1
400.25461	2.6
409.28317	0.6
410.24005	3.1
417.16385	0.5
422.24130	1.6
426.30499	0.9
428.24985	2.5
439.26614	1.7
440.25204	2.4
449.25079	1.5
452.10074	0.7
454.30212	1.0
457.27432	4.5
458.16959	3.8
459.17822	1.7
467.26074	11.9
468.31625	0.6
478.30298	0.7
485.27167	9.9
496.31342	4.9
511.32440	0.9
513.26556	0.7
523.32794	1.3
525.34167	1.0
534.34045	1.0
535.32019	1.0
544.32172	1.1
552.35138	2.6
553.33264	4.4
562.33447	6.5
570.35999	18.9
571.42621	0.6
580.34454	29.0
581.23981	1.0
581.34662	0.9
598.25867	1.5
598.35657	10.8
599.24780	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.4
55.01854	1.7
55.05492	1.4
57.03414	1.8
60.04515	1.1
61.02909	2.5
65.03912	1.1
67.05499	1.3
69.03413	3.0
69.07034	1.4
69.85860	5.4
70.06581	4.3
71.04964	2.0
73.02919	1.0
79.05474	4.0
81.03399	13.7
81.07040	3.3
83.04964	1.5
84.04486	1.4
84.08112	2.1
85.02892	11.4
86.09687	1.2
91.05461	4.0
93.07028	2.9
95.04942	1.9
95.08604	1.7
97.02866	3.9
98.20702	0.9
99.04441	1.4
103.05441	2.6
105.07019	2.7
107.04936	8.0
107.08546	1.4
109.02811	1.6
115.05408	5.5
117.06994	14.9
119.08548	1.3
121.06554	1.2
123.04409	4.0
124.05186	1.3
127.03892	2.2
128.06213	0.9
129.06999	2.3
129.13942	0.8
130.04121	1.0
130.08624	1.7
131.04903	2.2
131.08539	2.9
133.06464	1.8
133.10092	1.0
135.08046	1.0
135.11676	1.1
137.05940	1.7
137.09535	0.8
141.06963	1.6
144.05693	3.1
145.04846	1.9
145.06458	33.8
147.04462	1.1
147.07985	1.7
149.05888	1.3
153.05435	1.0
154.06015	1.1
155.05994	4.1
155.07089	1.4
156.05669	5.3
157.06436	2.6
159.08008	6.8
161.05948	4.6
162.07611	2.5
163.04018	1.0
163.11095	2.0
167.03365	0.9
167.07005	50.6
173.05952	60.7
174.06436	1.5
175.07497	2.1
177.05440	1.5
180.08669	6.3
181.04932	1.5
181.08438	0.9
184.05200	2.5
187.07535	6.1
190.06212	29.7
191.06926	4.1
193.08592	2.0
200.69693	1.0
202.06226	4.8
203.06966	7.0
205.08557	100.0
206.08969	1.9
207.06451	1.7
209.08046	1.5
215.06949	1.5
217.08553	44.2
218.08922	1.5
219.08186	1.6
219.10078	5.3
223.09593	3.0
231.07961	1.1
235.09598	34.1
247.07594	1.6
247.09702	7.2
248.08385	1.6
263.10477	1.2
265.10672	43.0
266.10999	1.0
269.07849	1.3
271.09509	2.4
283.15320	1.2
291.09970	1.8
299.08981	1.2
307.09534	1.0
308.10458	0.9
315.08533	4.1
319.09467	1.3
323.12598	1.6
325.53476	0.8
330.10980	7.5
331.11649	2.7
339.12213	2.0
351.12250	3.9
371.14865	4.2
383.14731	13.2
401.15842	16.5
407.12589	1.2
419.16672	0.9
598.32355	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3021
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
53.03926	1.0
55.01870	0.7
55.05502	10.8
57.03159	0.3
57.03428	6.8
57.07056	1.5
65.03934	0.6
67.05494	22.9
69.03390	0.6
69.07058	13.9
69.86269	0.3
69.88108	1.7
71.04967	0.8
71.08607	0.7
79.05483	6.2
81.03405	2.5
81.07043	24.4
83.04957	1.0
83.08610	6.4
85.02870	0.6
85.06534	0.7
85.10182	0.5
91.05460	4.4
93.04158	0.3
93.07034	6.7
95.04951	0.5
95.08592	18.5
97.06522	1.6
97.10155	3.0
98.21469	0.4
98.98455	7.5
99.04413	0.3
99.08068	0.4
105.07008	2.7
107.08575	4.0
109.02857	2.3
109.06519	0.3
109.10139	6.8
111.08044	0.7
111.11706	0.5
119.08546	2.8
121.10139	3.1
123.08063	0.4
123.11674	2.0
125.09589	0.4
125.96024	0.3
127.03905	0.4
133.10109	2.5
135.11659	1.8
137.13197	0.7
145.10121	0.6
147.11638	1.6
149.13225	1.2
151.14771	0.7
153.37564	0.3
155.01103	1.6
161.13255	1.0
163.06015	0.5
163.14790	0.8
165.16394	0.3
173.02103	0.5
175.14807	1.2
176.63586	0.4
245.22591	1.4
261.03741	2.1
263.23596	1.8
319.26089	0.4
335.07324	1.4
337.27310	100.0
338.27734	1.2
338.64456	0.3
425.28839	0.4
461.03442	0.3
597.26941	1.8
597.39673	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.7
55.01859	3.0
55.05494	3.4
57.03416	5.4
57.06733	1.3
57.45734	1.5
58.05490	1.3
60.04508	1.6
65.03945	1.6
65.71973	1.4
67.05483	4.8
69.03407	7.8
69.07064	2.8
69.33686	2.7
69.34077	12.9
70.06569	7.3
71.04979	10.7
72.08130	2.1
73.02894	2.6
79.05480	11.0
81.03403	19.6
81.07039	21.9
83.04958	4.2
84.08145	2.7
85.02412	2.4
85.02892	26.5
85.06538	2.5
86.03209	2.7
88.02194	1.8
91.05470	8.7
93.07030	18.0
95.04942	5.4
95.08594	4.7
97.02887	4.9
97.06508	4.1
99.04441	6.5
103.05463	3.9
105.07017	20.5
107.04922	9.1
107.08578	18.7
109.02905	2.2
109.06497	4.8
109.10141	2.4
111.04390	1.9
115.05449	4.8
117.06985	15.8
119.04900	1.6
119.08543	8.2
121.06474	14.3
121.10130	24.2
123.04395	3.8
124.05170	2.3
127.03911	4.8
127.07515	3.7
129.05466	2.3
129.06973	3.2
130.08659	3.1
131.08560	4.6
133.06474	2.5
133.10123	2.9
135.08025	8.4
135.11655	9.1
136.07559	2.3
137.05933	2.3
140.07039	2.1
141.01773	1.8
141.06972	2.2
144.05650	2.3
145.04977	3.9
145.06456	32.3
145.10107	23.0
147.04379	2.9
147.08047	1.4
149.05783	1.7
149.09578	8.3
151.03865	1.7
151.07579	1.5
153.05417	1.9
155.06003	4.0
156.05663	6.2
157.06451	2.4
157.08656	1.8
159.08046	6.1
161.05960	4.0
161.09624	2.0
163.06030	1.8
163.11160	59.7
165.09117	1.8
167.07011	53.9
173.05949	59.2
173.09555	3.4
177.05415	2.2
180.08643	4.4
181.12184	9.5
183.06474	2.8
187.07507	6.3
190.04605	3.1
190.06209	34.0
191.06935	2.5
191.10611	28.5
193.08586	2.9
195.06509	2.0
202.06171	3.2
202.07938	1.8
203.06979	6.9
205.08563	100.0
209.11644	17.2
217.08560	36.3
219.08154	2.0
219.10153	5.4
223.09554	1.9
227.12746	9.9
235.07797	1.0
235.09607	33.3
247.09647	7.4
265.10684	44.6
265.14276	8.7
279.27310	1.4
283.15341	45.3
303.04904	4.7
304.05408	4.0
305.05637	3.6
309.11972	2.1
315.08600	6.5
330.10892	6.9
331.14236	2.2
348.06815	1.9
351.12317	3.3
369.15302	2.6
371.14777	4.1
383.14832	11.4
387.16452	79.8
401.15967	20.6
405.17346	7.1
419.17032	2.4
458.16342	2.1
598.23932	2.9
598.34265	2.2
603.83099	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	597.1443
Annotation	Peltatoside
Peak:m/z	Relative Intensity
55.01858	0.3
55.05494	0.2
56.19020	0.2
57.03429	3.0
61.02921	1.0
65.03929	0.2
67.05466	0.2
68.99773	0.4
69.03410	1.6
70.06567	1.3
71.01307	0.3
71.04974	0.3
71.51718	0.3
72.08146	0.4
73.02513	0.4
73.02907	6.5
79.05474	0.3
81.03391	0.5
83.04924	0.2
84.04488	0.4
84.08142	1.1
85.02891	2.9
85.08463	0.2
86.09676	0.7
87.04438	0.4
88.02167	0.3
91.05473	0.3
93.03396	0.3
93.06990	0.3
95.04936	0.5
95.08565	0.3
97.02893	1.6
98.06029	0.2
99.04449	0.2
105.07021	0.2
107.04889	0.4
107.08566	0.4
109.02854	0.7
110.07130	0.3
111.00780	0.8
115.03915	1.4
119.08547	0.3
120.08073	0.3
121.02853	1.0
121.06466	0.2
121.10090	0.3
123.04398	0.4
127.03877	0.9
130.08598	0.5
131.04906	0.3
133.04941	0.3
133.10085	0.4
135.04425	0.2
135.08035	0.2
136.07512	0.4
137.02316	2.5
137.05931	0.2
145.04933	0.8
145.06395	0.3
146.08073	0.3
147.04387	0.5
149.02237	0.4
151.03862	0.2
151.07565	0.3
153.00584	0.2
153.01807	2.9
161.05971	0.4
163.03862	0.9
165.01797	2.5
166.02567	0.2
167.06981	0.3
173.05905	0.4
177.05469	0.3
183.02847	1.0
183.04338	0.3
185.75742	0.2
187.03923	0.2
191.03349	0.2
195.02853	0.6
201.05389	1.2
213.05620	0.3
219.02882	0.5
219.06464	0.3
229.04929	3.9
235.68771	0.2
247.06007	0.8
257.04413	2.6
274.04657	0.7
275.05417	0.5
282.14114	0.2
285.03964	1.5
298.28604	0.3
303.04932	100.0
304.05252	1.6
310.31796	0.2
341.01584	0.2
421.15799	0.3
435.09305	0.6
450.32489	0.2
465.10236	17.5
466.10629	0.4
597.19421	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1442
Annotation	Quercetin 3-apiosyl-(1->2)-galactoside
Peak:m/z	Relative Intensity
53.03929	0.8
53.23690	0.3
55.01863	2.2
55.05500	0.7
57.03191	0.4
57.03431	4.3
59.04988	0.5
61.02917	2.0
65.03937	0.3
67.05483	0.4
68.99801	0.4
69.03416	5.7
69.07044	0.7
70.06593	2.1
71.01345	0.7
71.04979	1.5
71.52476	0.5
72.08132	0.9
73.02904	3.4
79.05442	0.4
81.03413	2.0
81.07046	0.8
83.08611	1.0
84.08151	1.6
85.02892	14.8
85.06540	0.4
86.09683	1.1
87.04446	1.2
88.02198	0.4
91.03934	0.8
91.05464	0.5
93.07017	0.9
95.04943	0.8
95.08576	0.6
97.02882	4.4
99.04443	1.9
100.04855	0.3
100.07587	0.4
100.11225	1.8
101.02356	0.4
103.03925	0.7
105.07029	0.6
107.04963	0.8
107.08552	0.6
109.02846	1.6
109.06488	0.4
109.10092	0.3
110.07105	0.4
111.00766	0.8
111.04408	0.8
112.07577	0.3
115.03920	1.9
117.05524	0.3
119.04911	0.4
119.08539	0.4
120.08069	0.7
121.02831	1.0
121.06502	0.4
121.10099	0.7
122.05952	0.3
123.04411	0.6
123.08042	0.5
125.05963	0.3
127.03889	2.9
128.07071	0.6
130.08614	0.4
133.04948	1.3
135.08156	0.3
135.11702	0.5
136.07582	0.4
137.02342	2.2
137.05957	0.6
140.07056	0.7
145.04955	2.3
147.04424	0.6
149.02347	0.4
149.05905	0.5
149.09538	0.6
149.77174	0.3
151.03923	0.4
153.01822	3.3
161.05975	0.7
161.09628	0.3
163.03822	0.5
163.06055	0.4
163.07420	0.4
165.01833	1.8
167.06978	1.0
169.09798	0.3
173.05963	0.6
177.05458	0.7
181.05045	0.5
182.15308	1.4
183.02881	0.8
189.09091	0.3
191.03300	0.5
191.06906	0.5
193.08597	0.3
195.02856	0.4
201.05412	1.1
203.06828	0.5
209.08109	0.6
209.16658	0.4
210.14775	2.0
229.04871	3.3
247.05942	0.4
257.04404	2.6
274.04663	0.9
285.03790	1.6
287.05530	2.2
288.05841	2.3
289.06055	2.5
302.04147	0.8
303.04938	100.0
304.05237	1.7
345.05847	1.9
354.23764	0.4
399.06631	0.4
435.09238	0.7
465.10278	16.3
470.36563	0.3
580.40344	1.0
597.20203	0.5
597.43127	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	597.1801
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
55.01850	7.4
55.55484	1.6
57.03413	6.6
58.67342	1.7
68.93348	1.7
69.03399	6.9
70.06570	13.4
71.04940	1.9
71.54086	3.2
71.71186	1.5
72.08136	2.8
79.05464	3.5
81.03400	6.6
82.06537	1.8
84.04462	2.7
84.08112	9.3
84.09650	1.8
85.02876	22.9
86.09685	4.9
88.02210	1.9
91.05450	5.4
93.03387	12.2
95.01273	2.0
95.04935	5.6
97.02870	9.5
99.04472	1.8
100.07533	2.9
103.03914	2.8
105.03373	2.2
105.07001	3.4
107.04942	16.9
109.02850	13.0
109.56926	1.8
110.03619	1.7
110.07158	3.6
111.04430	4.3
117.03336	2.3
117.06948	1.9
119.04905	8.1
120.08090	3.1
121.02856	18.9
121.06489	8.3
123.04404	9.3
127.03878	2.3
129.06932	2.2
129.10239	2.6
130.08601	2.7
131.04922	6.4
133.02821	1.9
133.06412	3.6
133.10127	4.0
135.04382	16.2
136.07503	3.3
137.02309	7.7
137.05939	5.4
139.03862	5.2
140.07018	2.5
145.02820	4.2
145.06407	3.5
147.04382	24.5
149.02296	5.9
149.05908	3.3
150.05463	1.8
151.03886	7.7
151.07510	2.8
153.01801	4.6
159.04364	6.7
159.05507	2.1
161.02205	2.7
161.05933	6.3
161.09579	2.1
163.03857	5.6
165.01828	8.6
167.07059	3.0
171.04416	2.0
173.02272	4.8
173.05933	8.0
174.02100	1.9
175.00311	2.9
175.03841	5.8
175.07549	2.5
177.01773	15.2
177.05444	9.1
179.03384	2.0
181.04913	4.3
183.02853	5.6
185.05774	2.0
187.03830	10.0
189.01816	16.0
189.05502	3.4
191.03339	13.9
195.02835	32.2
199.03824	2.3
201.01767	5.3
201.05408	11.8
203.03307	9.8
203.07007	2.4
205.01273	5.7
205.04886	5.9
207.02844	34.1
209.04289	3.8
213.05545	3.6
215.03372	13.1
217.04910	5.0
219.02841	70.2
221.00784	4.0
221.04318	8.8
223.02278	10.7
225.03830	24.7
225.05663	2.2
227.03432	4.8
229.04922	17.6
231.02815	30.5
233.04329	18.7
235.02365	2.3
237.03899	22.7
241.04840	2.9
243.02838	22.1
243.06439	6.1
245.04413	6.4
247.06018	4.8
249.03868	19.6
253.04854	3.7
255.02794	7.9
257.04373	15.9
259.02304	3.4
261.03888	77.5
262.04333	2.1
269.04361	6.5
271.02576	2.8
271.05933	7.1
273.03860	32.8
275.05432	3.7
279.05118	2.1
281.04355	3.9
285.03885	35.8
285.07141	2.3
289.03421	2.9
291.04910	21.9
295.06006	2.4
297.03848	12.0
297.07480	13.6
299.05502	8.3
303.04932	100.0
309.03818	4.3
309.07468	5.8
311.05368	4.3
313.07062	2.3
315.05109	8.4
315.08173	2.1
321.05975	17.5
327.04892	36.1
327.08578	20.1
329.10666	2.3
339.08136	27.5
345.05899	11.1
351.08591	15.2
357.05820	8.1
357.09579	5.4
363.07010	25.3
369.05811	5.2
375.07416	5.2
381.09653	26.0
387.07047	7.6
393.09448	24.3
405.08353	27.9
409.08813	4.2
411.10648	13.4
415.09988	2.3
417.09647	4.8
423.10107	26.5
427.10416	2.5
429.11829	26.3
441.11066	34.9
447.10745	22.1
447.16373	3.5
451.12280	7.6
459.12631	31.2
465.10938	12.3
477.11975	4.2
483.12766	14.6
489.11087	2.4
495.12454	11.6
507.12808	9.1
513.13904	2.8
525.13861	13.7
543.15143	15.3
597.23566	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	596.4511
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03006	0.9
53.03934	2.4
54.22732	1.0
55.01856	1.1
55.05505	10.4
57.03432	5.4
57.07078	6.7
57.27802	0.9
57.82918	0.9
59.04976	3.1
65.03905	1.5
67.05493	53.8
69.07056	10.7
70.06565	1.0
71.04983	16.6
71.08616	2.6
79.05013	1.2
79.05477	26.9
81.07043	76.6
83.04959	3.4
83.08611	6.3
85.06541	6.2
85.10149	3.3
87.04451	1.5
89.91858	1.1
91.05465	19.8
93.07029	33.6
95.04951	2.9
95.08591	24.5
97.06510	4.1
97.10159	3.4
98.20730	2.5
99.08093	1.4
105.07021	11.9
107.08571	17.2
109.06453	1.5
109.10146	10.7
117.06992	3.1
119.08567	4.9
121.10118	12.3
123.11679	13.4
129.10410	1.0
131.08533	7.3
133.10101	12.8
133.17361	1.0
135.11688	8.2
145.10121	2.2
147.11656	2.1
149.13240	5.5
151.11159	4.5
159.11684	4.0
161.13332	1.3
169.12190	1.4
175.14809	1.1
179.83145	0.9
183.13777	1.9
187.13248	3.8
214.48532	1.1
229.64713	1.1
257.17365	2.0
261.22083	1.4
269.17502	3.8
301.20020	16.2
311.29504	1.7
335.25772	35.2
393.31372	1.5
455.35199	1.1
485.36292	1.8
503.37234	100.0
504.37582	3.1
517.38574	4.0
529.38757	7.1
561.41382	56.8
562.41711	1.3
596.47180	2.4
596.59381	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	596.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58228	0.9
53.03924	3.1
55.01855	2.2
55.05501	10.2
57.03415	4.3
57.07051	3.7
65.03919	1.7
67.05490	67.5
68.90526	0.9
69.03397	3.2
69.06779	1.0
69.07059	11.8
69.24609	10.7
70.06572	1.1
71.04966	3.4
71.08622	1.4
73.02881	2.3
75.04462	1.6
79.05476	39.7
79.10959	1.1
81.03410	1.9
81.07035	77.7
83.04977	1.9
83.08599	8.2
85.02859	1.7
85.06508	2.5
91.05455	23.9
93.07024	50.8
95.04941	3.5
95.08584	61.5
97.02825	1.3
97.06499	2.2
97.10137	3.6
98.98441	1.8
99.04430	1.6
99.08047	2.8
105.07014	15.5
107.08573	31.9
109.02857	4.9
109.06487	1.2
109.10131	32.2
110.03637	3.1
111.04390	1.4
111.08015	1.8
111.11687	1.1
113.09583	1.4
113.24857	1.0
116.07088	1.4
117.06983	9.0
119.08555	14.7
120.08825	1.1
121.10117	35.1
123.08009	1.3
123.11683	17.0
125.09643	1.1
127.03876	3.6
131.08549	18.7
133.10088	16.0
135.11659	28.9
136.85350	1.0
137.13226	7.4
138.94199	0.9
139.11064	1.3
145.10083	15.8
147.11653	11.7
149.13220	22.0
151.11131	2.7
151.14784	2.6
153.12688	1.3
154.16893	0.9
159.11659	13.6
161.13219	10.6
163.11241	1.7
163.14774	15.9
165.12660	2.9
171.11725	1.2
173.13231	14.8
175.14783	3.5
177.16309	7.2
179.14311	2.7
187.14786	7.7
189.16338	1.6
191.00024	3.4
191.14230	1.7
201.16312	4.1
202.66942	1.0
205.15903	1.4
209.01137	1.7
219.17387	2.7
233.22572	4.3
243.21034	36.3
244.21463	1.6
261.22083	100.0
262.22415	1.4
263.23508	2.2
279.23129	4.5
303.22903	1.2
310.57724	1.2
317.24625	1.2
335.25754	33.0
336.26111	3.3
353.26807	49.1
369.24237	2.2
377.26810	1.4
427.27966	1.2
434.75717	1.4
443.27618	1.5
444.17288	1.0
451.21274	1.3
487.22919	1.4
491.80078	1.3
561.27216	14.5
561.35675	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	596.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.01857	0.7
55.05502	1.5
56.05013	2.4
57.03423	2.2
58.99577	4.2
61.01126	0.8
65.03944	0.5
67.05493	1.2
69.03413	3.6
69.71981	3.0
70.06585	4.5
71.04980	3.5
72.08144	3.5
73.02905	1.4
74.06057	0.8
76.02215	6.9
77.03920	0.6
79.05471	1.9
81.07051	1.1
84.04480	1.2
84.08129	7.2
85.02892	4.7
85.06551	0.5
86.09682	1.4
86.99032	2.4
88.02221	0.6
88.03979	1.0
91.05465	10.2
93.07024	2.9
95.01315	2.1
95.04906	1.1
95.08597	1.7
97.02913	0.8
98.06012	1.2
98.20784	0.6
99.04436	9.7
102.05491	0.7
103.05444	0.7
104.05307	2.7
105.00066	3.7
105.07011	65.7
107.08570	2.9
109.06490	1.8
110.07129	0.6
112.08647	0.6
113.02358	0.9
115.08652	1.1
117.06976	1.4
119.08564	11.3
120.08150	0.7
121.06499	2.3
121.10133	0.8
122.02710	28.6
123.08052	4.2
123.11678	1.1
125.09586	0.9
128.06197	0.5
129.05431	0.5
129.10210	4.0
130.08614	1.2
131.08557	2.5
133.06468	5.6
133.10103	100.0
134.10445	1.6
135.11652	1.2
136.07545	0.9
137.05916	1.3
137.09656	0.9
141.01817	2.7
143.07010	1.0
143.08545	1.7
144.06091	0.5
145.10132	3.1
146.06290	1.7
146.07239	1.0
146.08185	1.0
147.08032	2.6
148.28577	0.5
151.07501	6.4
151.11153	1.6
159.02954	0.5
161.09584	77.1
162.09920	1.6
163.11143	28.6
165.09082	0.7
170.19493	0.5
171.07990	1.0
173.08086	0.9
179.10640	27.7
189.07359	1.1
189.09070	22.3
191.62004	0.6
197.11632	0.7
203.06926	0.6
207.10126	25.9
225.11127	1.5
234.13432	1.0
235.13266	2.1
253.14307	54.0
254.14606	0.7
263.12744	7.9
281.13785	78.6
282.14172	1.5
287.05457	1.7
288.05783	2.3
299.14819	9.9
333.48355	0.6
383.13150	1.3
430.27545	1.5
439.16016	0.7
450.10730	0.7
452.24350	0.6
457.16565	1.1
595.79779	1.1
596.19940	2.1
596.28790	6.3
596.78760	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	595.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.2
55.05502	7.3
57.03198	0.4
57.03435	6.0
57.07061	0.4
63.91153	0.4
65.03916	1.0
66.08312	0.4
67.05496	27.9
69.03408	0.8
69.07060	7.2
69.79295	0.8
69.79703	1.9
71.04996	0.7
73.94540	0.4
79.05482	15.6
81.03412	3.3
81.07043	23.5
83.04977	1.0
83.08611	2.6
85.02891	0.7
85.06522	0.8
87.49660	0.4
91.05464	6.6
93.07028	16.3
95.04952	1.7
95.08591	21.7
97.06509	1.1
97.10147	0.8
98.21425	0.6
98.98449	9.7
105.04472	0.5
105.07019	4.6
107.08571	7.8
109.02866	2.8
109.10136	7.6
111.08041	0.4
117.07000	1.4
119.08533	3.1
121.10115	5.4
123.11680	2.7
127.03851	0.6
131.08539	1.8
133.10112	3.2
135.11656	3.4
137.13176	0.7
137.58124	0.4
145.10109	1.4
147.11664	1.6
149.13226	1.3
153.01877	0.5
155.01021	1.7
159.11684	1.1
161.13249	1.2
163.06064	0.4
163.14706	0.5
173.02168	0.5
173.13225	1.2
177.16467	0.4
243.21022	0.7
261.03622	2.4
261.22125	1.8
317.06036	0.6
317.24762	0.8
335.07394	1.1
335.25745	100.0
336.26245	0.9
344.41302	0.5
423.27347	0.5
559.22491	0.6
587.50470	0.5
595.25592	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1648
Annotation	Datiscin
Peak:m/z	Relative Intensity
53.03923	0.3
55.01856	0.4
55.05506	0.3
57.03433	1.8
58.40808	0.1
59.04964	0.3
61.02915	0.5
65.03930	0.2
68.99786	0.3
69.03426	1.3
70.06577	0.4
70.77567	0.4
71.04982	9.6
72.35919	0.1
73.02895	0.3
75.04464	0.4
79.89449	0.2
81.03400	0.5
83.04957	0.5
84.04491	0.2
84.08125	0.3
85.02894	13.0
87.04428	0.2
97.02882	1.3
99.04425	0.2
105.03393	0.2
107.04949	0.3
109.02843	0.4
111.00813	0.4
111.04411	0.5
121.02843	1.7
127.03893	0.8
129.05455	3.1
133.02831	0.2
137.02296	0.7
145.04919	0.7
145.06323	0.2
146.69290	0.2
147.04405	0.4
147.06541	0.8
149.37923	0.2
153.01790	2.3
157.06509	0.2
158.80338	0.2
165.01767	0.8
171.04353	0.2
183.02869	0.4
185.05867	0.3
203.06969	0.2
213.05467	0.6
231.06461	0.6
241.04939	0.3
258.05115	0.8
259.06006	0.3
269.04404	0.2
287.05453	100.0
288.05768	2.3
316.66031	0.2
449.10971	0.9
536.03931	0.2
606.33423	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40724	0.4
53.03921	1.4
55.01854	0.4
55.05268	0.6
55.05504	5.9
57.03431	6.1
57.07054	0.7
64.73832	0.5
65.03924	1.2
67.05495	27.3
68.28678	0.4
69.07057	6.6
69.36240	3.6
69.36648	0.8
71.04967	0.6
74.45953	0.5
75.84310	0.4
76.40704	0.4
79.05020	0.5
79.05480	13.4
81.03413	2.9
81.07043	23.9
83.04981	0.6
83.08613	2.8
85.02885	0.6
85.06502	0.7
85.40981	0.4
91.05476	6.4
93.07030	15.5
95.04935	1.6
95.08591	18.7
97.06514	0.7
97.10152	1.1
98.97857	0.7
98.98450	9.0
100.06886	0.4
105.07011	4.3
107.08565	8.0
109.02830	2.4
109.06484	0.6
109.10136	7.4
116.99457	0.5
117.06985	1.8
119.08564	3.3
121.10124	6.2
123.08140	0.6
123.11668	2.1
131.08566	2.5
133.10081	2.8
135.11659	4.5
137.13159	0.8
137.24142	0.5
145.10091	1.2
147.11670	1.9
149.13246	1.3
155.00987	1.5
159.11641	1.0
161.13234	1.8
163.14803	0.6
173.02104	0.8
173.13213	0.6
187.14853	0.7
243.21083	0.9
261.03690	2.6
261.22073	2.5
304.26279	0.6
317.06348	0.7
317.24625	1.0
335.07349	1.3
335.25739	100.0
336.26059	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	595.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.3
55.05494	0.3
57.03418	1.5
60.47137	0.2
61.02906	0.5
63.57246	0.3
68.99786	0.3
69.03404	1.1
69.39083	1.9
69.39509	0.7
70.06580	0.5
71.04592	0.5
71.04978	9.1
73.02905	0.5
74.28408	0.2
75.04456	0.7
81.03374	0.4
83.04955	0.6
84.08131	0.5
85.02886	15.1
87.04461	0.4
91.03951	0.3
93.32664	0.3
97.02854	1.0
98.21571	0.3
99.04403	0.4
105.03376	0.3
109.02888	0.3
111.00780	0.6
111.04398	0.4
119.21956	0.3
121.02835	1.4
127.03889	0.8
129.05453	3.5
137.02338	0.5
145.04916	0.7
146.10344	0.3
147.04425	0.3
147.06487	1.3
153.01791	2.1
156.64143	0.3
165.01802	1.3
183.02867	0.6
185.05777	0.3
203.54968	0.2
213.05365	0.8
231.06696	0.4
241.04834	0.7
258.05197	0.9
287.05432	100.0
288.05746	3.0
303.05020	0.4
304.05228	0.7
431.10098	0.3
449.10590	0.8
595.28406	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1642
Annotation	Kaempferol-3-Glucoside-3''-Rhamnoside
Peak:m/z	Relative Intensity
55.01859	0.9
55.05487	2.3
56.41606	0.6
57.03196	0.6
57.03429	9.4
59.04968	1.3
61.02911	0.6
67.05482	0.9
68.99776	1.1
69.03136	0.6
69.03417	7.3
69.29620	6.6
71.01345	1.1
71.04979	60.0
73.02901	9.5
75.04447	2.6
81.03401	1.1
81.07030	0.7
83.04962	11.2
85.02887	69.1
87.04435	2.5
90.01932	0.7
95.04934	2.1
97.02905	0.9
97.06487	0.9
99.04443	4.1
107.04887	0.7
109.02879	1.2
110.84835	0.7
111.00748	0.7
111.04422	7.5
112.05243	0.6
113.05957	1.0
117.05466	8.8
121.02822	1.2
123.04451	0.6
127.03883	2.0
129.05455	21.5
137.02304	5.0
141.80899	0.6
145.04909	1.0
147.06502	7.5
153.01801	2.6
153.05415	2.6
163.05988	12.6
165.01836	2.1
171.06522	1.6
183.02821	0.9
183.06468	0.8
201.05450	1.2
201.07431	0.9
229.04903	3.0
239.09142	3.0
257.04382	2.3
274.04651	0.8
275.10980	0.9
285.03842	0.8
287.05481	3.0
299.05493	1.5
303.04922	100.0
304.05264	2.0
315.04895	8.9
316.05573	1.5
327.04819	1.9
332.37762	0.9
341.06448	1.9
345.05988	19.6
353.06693	0.8
357.06052	1.1
358.47818	0.7
367.08041	1.5
369.06082	5.4
395.07587	3.4
413.08582	11.8
431.09558	6.1
433.72690	0.6
449.04568	1.2
449.10693	21.9
535.23291	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1645
Annotation	Datiscin
Peak:m/z	Relative Intensity
53.03933	0.3
55.01858	0.2
55.05503	0.3
57.03425	1.6
59.04995	0.1
61.02910	0.4
68.99813	0.3
69.03411	1.1
70.06584	0.3
70.78568	0.1
70.78894	0.2
71.01352	0.2
71.04980	9.3
72.08125	0.1
73.02906	0.4
75.04468	0.4
81.03404	0.6
83.04958	0.6
84.04483	0.2
84.08120	0.2
85.02889	14.1
86.03220	0.1
86.09702	0.2
87.04456	0.3
91.03934	0.2
95.04963	0.1
95.81085	0.1
97.02878	1.3
99.04433	0.4
103.51231	0.1
105.03388	0.1
105.07023	0.1
107.04955	0.3
109.02842	0.5
111.00796	0.6
111.04443	0.3
120.84202	0.1
121.02837	1.4
127.03880	0.7
129.05453	3.1
129.06929	0.1
130.08589	0.2
133.02840	0.3
137.02324	0.4
145.04944	1.0
145.06102	0.1
145.06456	0.1
147.04396	0.3
147.06509	0.9
153.01796	2.4
157.06435	0.2
165.01797	1.4
183.02812	0.5
184.05023	0.1
185.05939	0.3
189.05461	0.1
197.05956	0.1
213.05383	0.9
231.06480	0.5
241.04955	0.5
258.05212	0.8
259.05969	0.3
287.05438	100.0
288.05737	1.9
378.37878	0.1
419.22516	0.1
449.11227	0.7
532.09515	0.1
588.58337	0.1
595.26367	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	0.4
57.03429	0.6
59.04973	0.5
61.02909	0.4
69.03410	1.4
70.06592	2.9
70.77695	0.8
72.08129	0.7
73.06535	1.4
81.03392	1.0
82.06558	0.6
84.04528	0.4
84.08138	2.2
85.02896	4.2
86.09700	1.3
87.04456	5.2
89.06017	100.0
91.05422	0.6
93.07018	0.6
97.02873	1.3
100.07580	0.8
104.64509	0.4
105.07046	0.7
107.07045	2.8
110.07190	0.6
117.09144	0.6
120.08113	0.6
121.02844	0.6
121.06464	0.4
122.02698	0.4
124.74041	0.4
127.03893	1.0
129.10196	0.4
130.08612	1.9
131.04901	0.8
131.07014	1.8
131.08560	0.5
133.08580	57.9
135.06664	0.4
136.03946	0.6
136.17439	0.4
137.05975	1.3
139.07507	0.4
140.07092	0.5
145.02887	1.0
146.08076	2.3
147.04408	1.0
149.05975	0.4
150.05478	2.2
151.09772	0.4
154.04970	0.9
157.83827	0.4
167.06990	0.4
168.06516	0.9
175.09621	1.3
175.11012	0.4
177.05446	1.4
177.11197	24.6
179.17511	0.4
182.69923	0.4
189.12654	0.5
195.12193	1.0
207.13751	0.9
211.15694	0.4
213.08638	0.6
219.12335	0.5
221.13815	6.5
239.14911	2.0
251.09209	0.4
262.15839	0.4
265.16501	1.4
283.17480	2.4
287.05527	0.5
287.14056	0.5
295.05960	0.8
305.14490	0.5
307.06033	0.5
309.18954	1.5
325.07001	0.6
327.20102	4.2
328.15753	0.4
371.22711	3.8
397.24149	1.0
415.25299	75.7
457.11020	0.7
559.15247	0.5
594.33722	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	593.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44314	0.7
53.03929	3.4
55.01856	3.8
55.05227	1.1
55.05498	21.0
57.03430	4.3
57.07067	9.9
59.04996	5.0
61.02908	3.1
65.03934	1.1
67.05126	1.1
67.05491	20.9
68.99774	1.0
69.03414	18.3
69.07053	100.0
69.31499	7.5
69.31915	1.4
70.06584	1.5
70.07403	1.8
71.04985	4.3
71.08606	2.8
72.08121	0.9
73.02888	2.9
73.06545	1.1
74.67413	0.8
79.05477	13.1
81.03407	11.8
81.07039	95.9
82.07407	1.3
83.04958	2.7
83.08208	0.6
83.08599	19.2
84.08131	4.8
85.02887	31.2
85.06526	17.6
85.10110	1.1
86.09682	2.3
87.00810	13.8
91.05420	6.7
93.07024	31.9
95.04955	2.6
95.08585	67.3
97.02872	10.7
97.06504	8.2
97.10146	9.8
99.04435	6.6
99.08073	15.5
103.03941	0.9
103.05402	1.1
105.01842	11.8
105.07005	11.5
107.08572	29.6
109.02855	10.4
109.06499	2.9
109.10134	33.3
111.04449	1.2
111.08065	10.2
111.10922	1.5
111.11698	31.0
113.09624	2.7
117.06996	1.7
119.08556	9.3
121.06471	1.8
121.10113	24.2
123.08062	1.6
123.11676	39.8
125.09624	2.7
125.13242	3.6
127.03883	20.7
127.11176	5.8
129.01794	0.9
129.06978	0.8
129.12708	3.6
130.08607	5.6
130.73302	0.7
131.08609	1.9
133.10112	6.5
135.08020	1.9
135.11662	19.2
137.05937	1.4
137.09602	1.3
137.13229	21.2
139.11148	28.6
141.12732	1.7
141.88284	0.8
143.08485	1.8
143.14320	2.5
145.04965	5.4
145.10074	3.0
147.04326	0.9
147.11662	5.4
149.09607	1.7
149.13229	31.2
150.13562	1.1
151.14751	5.9
153.12717	12.0
155.08495	1.1
155.14291	3.8
157.10175	1.5
157.12262	4.5
159.02859	5.4
159.11632	1.9
161.09656	1.0
161.13234	4.4
163.14771	11.7
165.12726	1.0
165.16393	1.7
167.07056	1.4
167.14259	6.9
171.13763	9.2
173.13037	1.0
173.15369	1.0
175.11061	1.4
175.14793	1.1
177.05406	0.9
177.16353	6.3
179.17891	0.9
181.15894	1.1
185.15369	3.1
187.06029	1.9
189.14775	3.6
189.16328	1.4
191.17917	2.4
195.17429	3.4
199.14815	1.5
203.17894	2.3
205.19498	2.3
207.17516	1.0
209.19051	2.2
213.03877	2.9
213.18478	3.4
217.15834	0.9
217.19553	2.6
221.18901	1.4
223.20499	2.0
231.04942	5.3
235.20549	2.2
249.06003	0.8
253.21486	1.5
261.25623	2.3
273.25708	3.3
275.16376	0.8
279.26755	8.2
291.23346	0.9
291.26715	19.3
297.27817	26.8
307.26196	1.3
309.27802	58.6
310.28131	1.4
315.28903	3.6
327.28857	10.7
344.88544	0.9
345.29758	4.6
399.28955	1.4
415.09933	1.0
417.29681	2.1
453.76236	0.8
467.06931	0.9
513.34070	1.0
539.31891	1.8
593.35138	2.2
593.44183	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	5.1
55.01857	5.2
55.05502	20.9
57.03418	7.0
57.07064	16.8
57.31533	1.9
59.04995	2.6
61.02908	2.4
65.03943	2.1
67.05494	40.2
69.03413	29.9
69.07060	46.2
70.06581	3.8
70.72855	3.3
70.73205	4.9
71.00666	1.8
71.04982	9.0
71.08620	12.3
73.02905	3.6
79.05477	25.3
81.03412	18.5
81.07043	98.7
83.04964	5.2
83.08617	26.1
84.08132	3.7
85.02892	55.0
85.06531	5.4
85.10168	7.7
86.09704	2.6
87.00807	22.5
91.05447	21.7
93.07028	57.8
95.04939	10.3
95.08592	100.0
97.02874	22.7
97.06514	5.3
97.10140	18.7
99.04448	10.6
99.08060	2.3
102.87911	1.9
105.01862	28.1
105.07005	33.5
107.04992	2.1
107.08578	42.7
109.02876	20.2
109.06483	5.8
109.10140	63.8
111.04440	2.5
111.08073	3.9
111.11709	11.2
115.03923	2.6
117.06952	2.1
119.08565	28.3
120.73940	2.1
121.06510	3.8
121.10119	42.1
121.10915	3.7
123.08090	4.6
123.11686	33.4
125.09628	3.9
125.13261	5.5
127.03900	37.4
127.11210	2.5
131.08536	5.8
133.10115	27.9
135.08073	3.1
135.11681	24.0
137.09592	5.6
137.13228	16.8
139.11183	5.1
143.08539	3.5
145.04988	10.4
145.10133	5.9
147.11678	25.9
149.09624	4.5
149.13234	25.6
151.11168	3.3
151.14827	9.0
155.10660	2.8
157.10175	4.5
159.02907	4.5
159.11667	3.9
161.09615	2.9
161.13223	18.3
163.14775	21.8
165.12729	8.7
165.16379	5.2
167.06947	2.3
171.11754	2.3
173.13239	2.5
175.14850	10.0
177.16365	11.4
179.17851	5.2
183.13777	2.9
185.09709	2.1
185.13147	2.5
189.16370	9.2
191.17889	7.9
201.12650	2.4
203.17963	6.6
205.19479	1.9
213.03842	3.3
217.19453	12.7
231.05005	8.7
247.24155	4.7
261.25699	4.1
273.25742	45.6
279.26816	6.4
287.63464	2.3
291.26782	39.5
297.27811	3.0
309.27817	25.8
355.06918	2.4
381.27597	2.8
387.28729	2.2
399.28851	3.9
503.29654	2.6
557.27081	2.9
575.28033	6.9
593.27875	11.6
593.35620	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.4772
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11450	11.6
57.07063	19.8
59.04967	12.1
67.05484	14.5
69.49980	100.0
71.08609	13.2
79.05475	21.0
84.08099	16.2
89.06004	32.2
91.05524	12.4
93.07089	13.3
95.08575	18.0
98.20788	25.3
107.08562	19.1
110.13830	11.3
130.08546	16.1
130.84276	11.1
131.55907	12.5
170.77832	14.3
293.11075	12.3
399.34479	20.9
437.36340	34.5
455.37213	21.4
529.40851	70.8
593.27399	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.4773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	9.4
57.03414	3.7
57.07065	13.6
59.04986	1.6
60.81398	1.1
65.03946	1.3
67.05495	12.4
69.07049	14.6
70.13742	5.1
71.04980	1.6
71.08626	11.0
79.05463	4.1
81.07041	17.0
83.04963	1.4
83.08605	12.8
85.10162	5.6
89.05988	2.0
91.05489	1.5
93.07030	6.5
95.08589	19.7
97.06506	3.7
97.10136	9.7
97.47285	1.1
107.08569	5.5
109.10129	10.3
111.08058	2.1
111.11694	3.6
114.69741	1.1
121.10124	7.3
123.11681	4.4
125.09604	1.3
125.13244	1.4
130.08577	1.9
134.63725	1.2
135.11650	6.2
137.13239	1.6
149.13252	4.4
155.48677	1.5
163.14804	1.6
177.16463	1.5
219.96236	1.2
274.17239	1.4
305.00525	1.2
338.98245	1.4
391.35526	2.1
403.18936	1.9
405.20773	1.9
419.22205	2.3
425.27197	1.4
427.37610	11.4
431.18439	5.5
433.24008	2.8
445.19974	5.4
446.20920	3.5
447.21844	2.6
459.21640	3.9
460.22629	7.2
461.23355	7.6
465.39349	19.1
483.40356	15.0
492.25308	1.6
505.22134	5.1
533.25433	21.0
539.43262	6.8
557.44019	65.9
558.44208	1.7
560.04993	1.3
592.26752	4.5
593.27490	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2744
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
66.11548	0.2
70.69398	0.7
77.52299	0.3
86.51604	0.3
102.48074	0.3
117.45099	0.2
124.95496	0.2
135.50822	0.3
223.12262	0.3
275.42401	0.2
387.15991	0.3
389.17560	0.8
390.18488	0.3
401.17548	0.4
402.18170	0.5
403.19101	2.1
404.20081	1.1
405.20758	1.6
415.19626	0.3
416.19937	0.7
417.16254	0.7
417.21320	2.7
418.21918	1.4
419.22223	3.7
430.17648	0.7
431.18295	7.6
432.18625	2.2
432.24057	0.5
432.68643	0.3
433.24115	6.7
434.24475	1.3
445.19885	8.6
446.20676	4.1
447.21591	5.4
449.23114	0.5
458.20615	0.5
459.21475	3.9
460.22452	11.2
461.23163	9.8
462.23984	0.6
463.21262	0.6
473.23785	2.2
474.23972	0.6
476.25684	0.4
477.21985	0.6
477.27515	0.4
487.24838	1.0
489.26953	0.4
491.24112	0.9
492.25146	1.6
504.25467	0.3
505.21982	6.1
515.24121	0.6
518.22913	0.7
519.23694	1.2
520.24719	0.3
533.25397	32.6
534.25861	0.9
535.23260	0.3
547.27484	0.4
561.24756	0.8
564.23657	1.0
565.28113	1.0
578.25275	0.4
593.27460	100.0
594.27850	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
63.78560	0.3
69.28525	0.7
69.28920	2.9
77.33018	0.3
79.86601	0.3
101.74958	0.3
114.21735	0.3
120.17804	0.3
122.99773	0.3
215.24466	0.3
251.73347	0.3
387.16217	0.4
388.16653	0.6
389.17728	1.6
401.17682	0.4
402.18378	1.3
403.19116	3.3
404.19891	1.2
405.20789	2.4
415.19287	0.4
416.19791	1.1
417.21213	4.9
418.21796	2.0
419.22287	5.0
430.17798	1.2
431.18073	9.9
432.18604	2.6
432.24057	0.7
433.24106	8.6
434.24570	1.2
445.19852	12.3
446.20633	5.8
447.21518	5.5
458.21014	0.5
459.21552	4.6
460.22452	14.3
461.23141	12.9
463.20993	0.4
473.24060	2.5
474.24146	0.8
476.25577	1.2
477.22083	0.6
477.27249	0.5
487.25565	1.4
489.26556	0.5
491.24112	1.2
492.25104	2.1
504.22440	0.4
505.21759	5.5
515.24353	0.4
518.23035	1.0
519.24011	1.0
533.25391	50.7
534.25543	1.8
547.27399	0.4
561.25360	0.4
564.23676	0.6
565.28168	1.3
575.26324	0.5
593.27454	100.0
594.27692	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	592.477
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18353	4.8
52.10196	6.8
57.07055	19.0
59.04983	8.1
62.41295	5.1
63.36172	5.2
67.05492	12.5
69.07047	11.2
71.08627	14.0
79.05473	6.3
81.07024	21.1
83.08606	7.0
84.08141	6.7
85.10156	9.9
86.86076	4.9
87.04444	10.3
89.06024	26.1
93.07024	10.7
95.08588	17.0
97.10133	6.9
98.20727	11.1
105.07005	9.2
109.10111	15.8
121.10114	8.4
130.08644	6.2
133.08585	12.6
135.11659	8.2
143.67546	5.1
300.92825	6.2
393.68387	5.9
399.34595	15.3
437.36261	17.2
455.37204	24.3
503.72760	6.8
510.69772	5.8
511.39597	16.6
529.40918	100.0
592.38843	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.6
55.05501	1.1
57.03420	0.8
58.72724	0.6
59.04696	1.2
59.04990	22.5
60.04515	0.6
63.95980	0.6
67.05487	0.9
69.03402	1.2
69.07063	1.4
69.66679	4.4
70.06570	2.9
72.04001	0.6
72.08136	1.0
73.02901	1.6
73.06522	1.8
74.79052	0.7
79.05479	1.8
81.03403	1.6
81.07048	2.4
83.04978	1.0
84.04469	0.9
84.08124	2.8
85.02897	2.1
85.06524	1.4
86.06046	2.7
86.09686	2.4
87.04453	10.5
88.02210	1.4
89.06017	100.0
91.05435	1.6
93.07056	1.8
95.08588	3.2
96.08163	0.7
97.02903	1.1
97.06506	1.2
98.09660	0.9
99.04448	1.0
100.11224	0.6
101.05997	1.1
103.07561	2.9
105.07016	1.6
107.07069	3.2
107.08578	1.2
109.02834	0.7
109.06501	1.0
112.31590	0.6
115.07565	0.8
116.10735	5.4
117.09108	2.2
119.08580	1.2
121.06481	0.6
121.10140	1.0
127.03905	0.9
130.08629	3.4
131.07011	2.8
131.08543	0.6
133.08582	62.5
135.11569	0.6
137.05989	1.3
137.09581	1.0
137.44757	0.7
142.08607	1.0
145.04855	0.8
145.10081	1.0
146.08183	0.9
147.04445	0.8
147.10124	1.4
161.11659	1.7
175.09639	1.6
175.10991	0.7
177.11201	25.7
183.81345	0.6
191.12831	1.0
201.09395	0.6
206.04520	1.5
221.13797	5.2
239.14851	2.2
265.16550	1.3
283.17398	3.3
297.80075	0.6
298.20084	0.8
309.19019	0.9
316.21140	12.1
327.20242	2.0
340.75696	0.8
371.22699	2.4
415.25357	2.9
430.27975	0.8
459.27969	16.9
478.26498	2.2
517.32208	3.9
575.36273	3.6
592.38965	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	592.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.2
55.05494	1.1
55.38242	0.5
56.05011	0.7
57.03429	3.0
59.04977	1.7
60.04504	0.4
67.01813	0.4
67.05480	0.8
69.03396	1.8
69.07031	0.6
69.35976	4.0
70.06576	4.8
71.04980	21.3
71.06879	0.5
72.08108	1.0
73.02561	0.4
73.02905	4.6
76.02229	2.9
79.05450	0.9
81.03412	2.7
81.07011	0.6
83.04957	1.0
84.04484	1.5
84.08135	3.9
85.02890	21.5
86.06039	0.9
86.09684	1.9
87.04443	1.1
88.02180	0.6
89.06010	6.2
91.05431	0.8
93.06992	0.8
95.04948	2.0
97.02906	0.6
97.06537	0.6
98.06024	3.9
98.21406	1.1
99.04434	17.2
100.07603	0.6
101.05989	0.5
103.03895	1.0
105.06991	1.0
107.08535	0.7
109.02814	1.1
110.07164	2.6
111.00797	0.5
111.04423	0.7
113.05977	0.5
114.01591	0.6
116.07082	3.3
117.05472	10.1
119.04892	0.6
119.08541	0.8
120.08076	0.5
121.02856	1.4
121.10139	0.9
123.04382	0.6
127.03913	0.9
129.05449	5.5
130.08601	5.7
133.08572	2.9
135.04385	0.6
137.02321	14.7
137.03355	0.7
137.05936	1.2
140.07014	0.8
143.07034	0.5
143.34734	0.5
144.06528	0.9
145.02817	1.2
146.08012	0.6
147.04385	1.2
151.03818	0.6
153.01822	1.4
156.07686	0.6
157.08572	1.0
161.05962	0.7
162.02141	1.2
163.03864	2.5
165.01779	1.4
167.07094	0.5
175.03889	2.7
175.09720	0.6
177.05415	1.7
177.11212	1.3
179.04813	1.5
183.97252	0.4
187.03821	0.6
191.03343	4.9
197.05952	0.6
201.02374	0.5
201.05469	0.9
203.03368	1.6
203.06970	0.5
205.10500	0.6
211.07411	0.9
215.07086	0.5
225.05470	0.7
227.16348	0.6
229.04878	1.9
231.02710	0.6
239.07011	1.5
243.06532	0.7
247.05977	0.8
249.13354	1.5
251.18529	1.1
253.04994	0.5
257.04395	0.7
257.08090	0.9
267.06430	3.6
271.05957	1.8
274.04742	0.7
283.17499	1.6
285.04123	1.0
285.07578	1.8
295.05933	2.0
299.05392	2.4
302.04193	0.7
303.04938	70.0
304.05310	2.4
308.08975	2.6
312.06366	0.8
313.06937	4.7
315.04913	1.6
317.06488	1.1
323.05405	1.0
327.04938	6.9
338.13104	0.5
341.06488	67.2
342.06702	2.8
344.14990	0.6
345.06049	1.1
349.68005	0.5
369.05936	8.9
383.07358	0.7
387.07019	100.0
388.07413	3.3
395.22531	2.7
400.10007	0.5
413.23825	4.1
414.11627	1.3
446.10663	14.7
447.10422	0.7
449.10889	0.8
479.09232	0.5
573.18347	0.6
592.20203	1.4
592.29193	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32875	0.7
51.88208	0.7
52.58246	0.7
53.03948	0.8
55.01862	8.1
55.05493	2.0
56.05011	0.9
57.03419	4.0
58.06575	1.9
58.99564	2.1
59.04984	1.0
67.05489	1.7
69.03422	1.9
70.06580	10.0
71.04984	13.6
71.53168	1.3
71.53561	0.8
72.08130	3.3
73.02892	1.5
76.02211	12.1
76.03986	0.9
79.05466	0.8
81.03402	8.9
81.07031	2.0
82.06579	1.4
83.04951	2.0
83.08604	1.6
84.04488	5.1
84.08134	4.2
85.02890	18.3
86.06050	18.4
86.09682	2.7
87.04452	1.7
88.07607	1.9
88.13980	0.7
89.06010	1.3
91.05457	2.7
93.07027	1.4
94.06546	5.1
95.04964	2.5
96.04466	6.0
97.02872	1.0
97.06490	1.1
99.04453	1.6
100.07600	11.3
101.06025	0.8
105.07024	1.2
107.04942	1.8
107.08576	1.6
108.59142	0.7
109.02847	1.2
110.06027	1.2
110.07148	1.8
111.04448	0.9
111.08090	0.8
112.07569	7.8
114.05508	16.4
115.08691	0.9
116.01639	2.0
116.07063	1.7
119.04913	1.7
119.08530	1.2
120.08055	1.3
121.02846	0.9
121.06458	1.0
121.10136	1.2
122.06033	0.8
123.04394	2.0
124.64753	0.7
126.09122	1.1
127.03901	3.0
128.07048	1.1
129.05499	3.4
129.06979	1.1
129.10181	0.7
130.04970	1.9
130.08627	2.9
131.04877	1.0
131.08557	1.1
133.06436	0.9
133.60344	0.8
134.02731	0.8
135.08081	1.2
136.06166	3.6
136.07506	1.5
137.02316	27.4
137.03253	1.0
137.05914	4.9
138.05583	0.8
139.03741	0.8
142.03249	1.2
144.01112	2.1
145.02812	2.4
146.08078	1.7
147.04387	5.2
147.06354	0.7
149.05957	1.4
153.09094	3.0
154.04951	0.8
159.04509	0.7
159.46979	0.8
161.05933	1.4
162.02164	5.1
163.03899	4.6
163.07523	1.1
165.01825	1.8
165.05429	1.3
167.06905	0.9
172.03941	0.8
175.03922	4.6
177.05423	15.8
178.05782	2.7
179.03403	1.5
179.04829	9.5
179.06979	2.1
188.07066	1.4
189.05482	1.1
191.03357	4.9
191.08122	3.2
192.08398	1.9
193.12207	3.8
201.05560	0.8
203.03598	0.7
204.06555	0.9
209.69136	0.7
214.10744	0.8
217.05028	1.1
225.09195	0.7
229.04924	2.5
233.04207	1.5
233.06163	1.3
234.13460	6.8
239.07037	2.1
259.05936	1.7
267.06363	2.8
267.15793	1.7
277.04919	1.0
285.07681	1.4
294.95413	0.8
295.05939	1.8
299.05322	0.9
303.05069	3.1
307.12814	0.8
308.08987	14.5
308.12497	1.4
313.03461	1.1
313.06952	8.7
315.04922	43.3
316.05090	1.5
324.06052	1.1
325.13800	2.1
326.04196	1.0
326.14099	1.9
327.04959	1.0
327.14551	1.9
329.02704	1.4
329.06537	19.2
329.10187	2.8
337.07065	1.9
339.04953	2.1
340.05780	1.0
341.06497	100.0
342.06970	1.2
353.06442	7.4
355.04300	1.4
355.08112	7.4
365.06409	3.1
383.07526	51.0
384.07538	0.9
396.10678	11.4
396.20120	1.0
412.13696	1.1
414.11734	75.6
415.11716	1.1
428.13321	16.9
430.14926	9.2
446.14484	8.7
456.12668	3.6
487.12201	5.8
493.66895	0.8
524.15393	1.2
529.13037	1.2
542.16364	6.6
560.17535	21.8
574.18896	14.6
592.19812	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	591.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.1
55.01856	3.6
55.05499	9.7
56.05018	0.9
56.95525	0.9
57.03426	1.0
57.07061	3.0
59.04985	3.9
61.02919	1.4
61.32081	0.8
61.95812	0.9
65.03907	1.1
67.05129	1.2
67.05494	21.1
69.03430	5.5
69.07057	48.7
69.44164	0.9
70.06585	11.6
71.04982	7.1
71.51946	1.0
72.08141	1.8
73.02912	1.8
73.06542	1.0
75.07121	0.8
79.05482	14.4
81.03398	4.7
81.07043	86.4
83.04971	2.7
83.08617	5.4
84.04504	1.0
84.08135	8.8
85.02890	9.0
85.06538	8.0
86.06042	1.5
86.09694	7.8
87.00809	2.9
87.04475	1.2
87.05582	1.3
89.06030	3.7
91.05461	8.7
91.19888	1.0
93.07032	35.5
95.04963	6.1
95.08593	48.5
96.08920	1.3
97.02885	3.6
97.06528	9.4
97.10147	4.2
99.04440	2.1
99.08086	5.0
101.13848	0.8
105.01839	2.5
105.06310	1.1
105.07018	21.8
107.04900	1.1
107.08578	34.8
108.08809	1.0
109.02885	4.5
109.06490	7.0
109.10140	32.6
111.08065	34.6
111.11716	7.2
113.09638	1.7
116.07083	1.7
116.10796	1.1
117.05476	2.7
117.07011	2.2
119.08568	14.1
120.08074	1.8
121.06496	1.9
121.10126	25.3
123.08075	2.5
123.11688	77.1
124.11976	1.3
125.09612	3.9
127.03914	4.4
127.11176	1.7
129.10226	1.9
130.08632	6.9
131.08513	4.1
133.06087	3.5
133.08583	1.7
133.10109	17.0
135.08041	2.0
135.11662	17.4
136.07556	3.4
137.05963	2.2
137.09544	2.3
137.13239	8.0
139.11159	10.4
141.10190	1.1
141.12735	1.2
143.08485	1.1
145.10118	5.4
147.04356	1.4
147.11671	13.3
148.11974	0.9
149.09715	1.0
149.13239	8.9
151.11153	17.4
153.12711	6.1
153.94844	0.9
157.10049	1.0
159.02846	1.4
159.09111	1.1
159.11658	8.3
161.05977	1.4
161.09564	2.8
161.13245	9.8
163.11177	1.7
163.14806	9.4
164.07051	1.0
165.09030	1.0
165.12718	5.0
167.06993	1.4
167.14262	1.1
169.09970	0.9
169.12253	4.3
171.13773	1.1
173.09570	1.6
173.13263	3.5
175.14822	6.1
177.05397	0.9
177.16394	6.7
179.14308	2.3
187.14830	2.6
189.16400	6.5
191.17960	1.9
193.15854	1.6
195.75606	0.9
201.16309	2.3
203.17935	3.8
207.17404	3.5
212.16293	1.1
215.17940	4.6
219.17503	1.3
221.18903	1.6
233.18890	1.6
239.20125	1.3
245.22679	2.8
251.20081	1.3
256.89175	1.1
259.24304	2.5
271.24197	10.3
272.12540	1.0
277.25238	7.1
289.25220	32.8
301.21072	1.0
307.26260	100.0
308.26556	2.7
325.27231	13.6
555.31165	1.6
591.24432	2.1
592.22675	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.4
55.05505	13.9
57.03426	11.9
57.07067	43.8
57.40125	1.4
65.03918	3.0
67.05492	51.8
69.07056	18.1
70.44569	5.6
71.08617	23.6
79.05480	27.7
79.19754	1.7
81.07041	69.4
81.41859	1.5
81.88210	1.4
83.08591	11.5
83.21924	1.3
85.10167	14.2
89.05986	2.2
91.05453	14.2
93.07024	34.9
95.04939	2.4
95.08588	55.0
97.10147	5.5
97.71598	1.5
99.08052	1.5
100.59187	1.3
105.07009	16.0
105.62130	1.4
107.08569	22.9
109.06453	1.8
109.10137	27.3
111.08074	2.0
117.07003	5.3
119.08557	12.2
121.10121	18.4
123.11681	12.4
131.08531	11.3
133.10118	11.5
135.11659	17.1
135.12598	2.2
137.13242	4.9
145.10123	9.2
147.11623	6.9
149.13214	12.9
159.11682	9.7
161.13217	5.7
163.14818	7.2
173.13226	9.9
173.14496	1.6
175.14839	3.3
176.07401	1.5
177.16406	2.2
182.25410	1.4
187.14813	3.9
239.23775	3.7
241.23682	1.7
241.38185	1.4
243.21011	12.8
257.24716	1.5
258.90219	1.6
261.22092	60.8
262.22311	1.6
279.23145	3.2
298.51285	1.4
313.27295	100.0
314.27582	1.9
317.24707	10.6
335.25739	66.9
336.26221	3.2
350.22348	1.8
386.35529	1.5
407.46429	1.7
484.59100	1.9
573.48657	29.1
591.49713	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	591.181
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06579	0.4
70.14542	0.6
70.14937	0.4
72.69920	0.3
74.02421	0.6
78.64283	0.2
82.50398	0.3
82.82254	0.3
91.05475	0.9
98.15624	0.2
115.05421	1.0
116.32579	0.2
116.33630	0.2
117.05750	0.8
117.07005	0.8
118.06522	16.3
119.04909	0.4
119.06874	0.3
130.06526	1.5
130.08598	0.4
132.08063	4.2
135.94855	0.3
142.06461	1.7
143.07259	2.3
144.04379	0.4
144.08058	10.5
145.02814	0.7
146.05983	55.8
147.04407	1.4
147.06323	1.6
152.37685	0.3
159.09154	5.2
160.07532	0.6
167.07040	0.5
170.05977	4.1
177.05423	1.7
188.07031	100.0
189.07352	3.3
205.09686	45.4
206.10045	2.0
207.10201	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52997	0.8
53.03923	1.4
55.01852	3.1
55.05501	14.2
57.03416	2.2
57.07062	5.8
59.04990	1.9
61.02909	0.9
67.05492	13.1
68.41593	0.7
69.03417	11.9
69.07056	100.0
69.43060	0.7
70.78055	1.5
70.78398	1.2
71.04967	2.4
71.08607	1.7
73.02891	0.9
73.06551	1.2
75.73347	0.8
76.57609	0.8
79.05476	6.1
81.03407	5.1
81.07040	46.0
83.04954	1.9
83.08596	10.4
83.45108	0.9
85.02892	12.3
85.06525	7.1
85.10178	1.1
87.00821	4.9
87.04449	0.8
91.05453	2.7
93.07030	12.4
95.04951	4.3
95.08588	31.2
97.02872	6.6
97.06519	5.9
97.10150	3.6
99.04411	2.2
99.08089	4.3
101.05979	2.3
105.01846	5.7
105.07009	6.8
107.04981	0.9
107.08565	12.2
109.02860	5.6
109.06488	3.4
109.10136	26.7
110.10186	0.8
111.08086	4.1
111.11696	26.8
113.09663	0.9
117.07018	1.5
119.08569	7.2
121.06449	1.0
121.10110	13.0
123.04340	0.7
123.08066	2.9
123.11679	25.8
125.09581	1.7
125.13200	1.1
127.03873	8.7
127.11160	6.0
129.12718	1.8
131.04971	0.8
131.08556	2.3
132.00537	0.7
133.10086	5.1
135.11668	6.6
136.10411	0.8
137.05934	1.2
137.09592	3.3
137.13240	5.8
139.05205	0.8
139.11154	26.2
139.14609	0.8
141.12726	1.0
142.83684	0.9
145.04927	2.0
145.10088	3.2
147.11642	4.3
149.13211	6.9
151.11163	2.3
151.14784	6.4
153.12698	2.8
155.10646	2.2
157.12196	8.1
159.02831	2.1
159.11629	5.4
161.05817	1.3
161.13214	7.5
163.11125	1.6
163.14792	2.5
165.12746	4.0
167.14268	2.5
171.11713	0.8
171.13710	0.8
173.11842	0.9
173.13229	2.6
175.14784	2.2
177.11086	0.8
177.12735	2.4
177.16428	1.3
179.12923	0.7
179.14281	5.3
183.13763	1.0
187.14772	1.8
187.38908	1.0
189.16400	1.1
191.17917	1.3
193.15813	1.5
201.16302	1.3
211.16986	1.2
215.17949	1.4
219.17389	1.6
231.05005	1.6
231.79083	0.9
233.19035	1.1
234.05217	0.8
237.18425	2.8
251.20053	2.9
263.23703	1.6
271.24020	1.3
273.17920	0.7
275.13715	1.8
277.25284	4.2
289.25208	7.4
295.26248	36.1
307.26254	71.6
308.26526	2.3
313.27557	0.8
316.98581	0.9
325.27301	20.5
343.28378	1.4
415.28452	1.8
433.29404	2.3
434.20618	1.1
537.30280	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	589.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02009	0.3
58.10236	0.2
70.13346	1.2
73.06542	0.3
74.02425	0.7
79.56932	0.2
81.54674	0.2
84.08113	0.3
91.05473	0.5
105.67670	0.3
109.82166	0.3
115.05426	0.8
117.05717	0.3
117.07000	1.0
118.06519	13.5
119.04887	0.4
119.06850	0.3
123.32914	0.3
127.85461	0.2
130.06479	1.3
132.08089	4.6
142.06497	1.8
143.07253	2.0
144.04420	0.4
144.08060	11.0
145.08453	0.3
146.05981	60.0
147.04388	0.6
147.06320	1.4
159.09148	5.6
160.07524	0.7
170.05969	4.0
177.05298	0.3
188.07028	100.0
189.07381	2.7
205.09682	52.2
206.10069	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.6
53.68105	0.9
55.01858	2.7
55.05500	11.0
57.03436	4.4
57.07066	4.7
57.67661	0.9
59.04987	2.1
65.03914	1.1
67.05495	19.0
69.03416	8.4
69.07055	53.2
69.39515	8.4
70.06583	2.6
71.04982	6.3
73.02902	1.7
75.32584	0.8
79.05476	19.3
80.77000	0.9
80.77525	0.9
81.03385	5.5
81.07040	71.1
82.07345	1.3
83.04958	3.9
83.08610	4.5
84.08143	5.7
85.02886	11.6
85.06528	10.9
85.08449	1.0
86.09692	1.7
87.00806	3.4
87.04453	2.6
91.05457	15.9
93.07024	70.1
95.04947	13.5
95.08588	54.7
97.02888	5.1
97.06506	8.7
97.10150	3.9
98.21525	1.8
99.04444	3.5
99.08069	3.1
103.05445	1.3
105.01836	2.7
105.07008	23.9
106.56105	0.9
107.04920	1.7
107.08571	25.3
108.08893	1.2
109.02867	3.1
109.06493	7.0
109.10140	27.0
111.08051	6.1
111.11714	4.2
117.06990	2.5
119.08568	16.2
120.08954	1.0
121.06490	2.8
121.10120	50.1
122.06033	1.0
123.08087	6.2
123.11683	100.0
124.12005	1.7
125.09611	8.2
127.03875	6.1
127.11186	1.1
129.06984	1.5
130.08620	4.2
131.08517	8.5
133.10092	10.7
135.08066	2.1
135.11662	16.4
137.05977	1.9
137.09596	4.9
137.13226	2.9
139.11159	12.3
143.08507	2.5
144.09291	1.3
145.04933	2.9
145.10069	10.9
147.04391	1.6
147.11658	13.7
149.09572	7.0
149.13245	10.6
151.11174	4.2
152.32468	1.2
153.01816	1.7
155.10623	5.7
157.10129	3.8
159.02840	1.9
159.05283	0.8
159.11650	9.6
161.09560	2.6
161.13231	7.6
163.11185	2.3
163.14789	3.5
165.12740	4.1
167.10648	23.4
169.12245	0.9
171.11699	2.5
173.13257	4.6
175.14726	5.9
177.05518	1.3
177.12724	2.2
177.16370	3.9
185.13203	1.6
187.14709	5.5
189.12697	1.5
189.16371	2.8
191.14369	1.0
193.15895	1.9
199.14795	2.6
201.16364	3.3
203.17926	3.0
205.15764	2.2
207.17407	2.0
213.16373	3.9
217.19522	1.1
219.17467	2.0
229.19582	1.4
237.18445	2.6
243.21048	3.0
249.18578	2.2
267.19727	1.1
269.22556	7.4
287.23636	9.0
293.24734	3.4
305.24646	20.8
323.25754	56.4
324.26068	1.4
423.12311	1.0
490.50912	1.1
494.28406	1.1
589.25385	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	589.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
60.63491	0.2
62.79908	0.2
66.23849	0.2
71.04658	0.7
73.06554	0.2
73.86948	0.2
74.02437	0.7
91.05478	0.6
97.61330	0.2
115.05439	0.9
117.05757	0.6
117.07007	0.8
118.06522	13.8
119.06879	0.4
130.06482	1.3
132.07172	0.2
132.08075	4.7
140.04874	0.3
142.06485	1.2
143.07263	1.4
144.07205	0.2
144.08054	11.5
146.05978	50.5
147.04448	0.6
147.06306	0.9
159.09145	5.5
159.10391	0.5
160.07587	0.8
170.05977	3.6
188.07027	100.0
189.07388	2.2
199.32886	0.2
205.09683	55.4
206.10027	1.1
245.59648	0.3
274.56268	0.3
321.30252	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.3
55.05499	0.5
55.48075	0.1
56.05025	1.6
57.03423	0.2
57.05825	0.2
58.06596	0.2
59.04995	0.7
67.05494	0.7
69.03426	0.9
69.07055	6.0
69.19273	1.8
70.06585	1.2
70.07382	0.3
71.04979	0.7
72.08127	0.3
73.02908	1.3
74.06068	3.3
79.05477	0.4
81.03405	0.7
81.07044	1.5
83.04954	0.3
84.04488	0.9
84.08137	1.3
85.02892	1.4
85.06519	0.3
85.24610	0.2
86.06055	0.3
86.09692	100.0
87.00797	0.3
87.04457	1.2
87.10023	0.9
89.07126	0.3
91.05474	0.4
91.56175	0.2
92.75813	0.2
93.07024	1.6
94.07386	0.2
95.04965	0.9
95.08588	0.8
97.02891	0.4
97.06518	0.5
98.06062	0.6
98.20663	0.3
99.04450	0.3
102.05530	0.7
104.10724	0.9
105.07016	1.5
107.08572	0.7
109.02872	0.7
109.06506	0.3
109.10152	0.6
110.07143	0.4
111.04477	0.2
111.08053	0.4
113.05985	0.4
114.09141	0.2
116.07065	0.9
116.10719	0.2
116.90572	0.2
117.77242	0.2
119.08606	0.6
121.02850	0.5
121.06472	0.2
121.10137	1.0
122.10464	0.3
123.08084	0.3
123.11710	0.5
124.07578	0.3
124.99976	0.2
126.04564	0.4
126.05494	7.6
127.03879	0.9
127.07505	0.2
127.08684	0.2
130.04988	0.9
130.07843	0.2
130.08644	1.1
130.09477	0.2
131.07054	0.6
131.08559	0.4
132.04431	0.3
133.09213	0.2
133.10110	0.7
135.11722	0.2
137.05959	0.3
137.09567	0.2
139.11140	0.2
141.10214	0.3
141.12759	0.2
144.06567	0.6
145.10043	0.5
146.09584	0.8
147.04372	0.2
147.09995	0.8
147.11641	0.2
148.06033	3.3
149.02312	3.1
153.06555	1.6
157.10106	0.2
157.13336	4.6
159.11681	0.3
160.11209	0.2
161.09628	0.6
161.13268	0.2
163.11058	0.2
165.09184	0.2
167.10696	0.2
169.09671	1.2
173.09326	0.2
175.39664	0.2
178.04965	2.5
184.07280	0.9
184.09724	0.2
185.12898	0.7
189.09087	0.2
197.09183	15.6
199.14847	0.2
199.18045	1.4
201.12657	0.2
203.07057	0.3
206.04472	6.0
212.16426	0.6
215.05377	0.2
215.10236	5.1
215.13670	0.3
227.17534	2.0
231.80830	0.2
238.15504	0.5
245.18680	0.3
261.14417	8.0
262.14755	0.2
278.13837	0.7
279.14090	0.9
282.18082	0.5
286.22498	0.3
296.14813	0.3
297.15222	0.5
298.21176	0.6
300.19119	15.0
301.19446	0.3
303.23148	0.3
304.23593	0.4
305.19711	0.3
310.17715	0.4
321.24176	0.3
322.24490	0.7
323.20578	0.9
323.24203	0.3
328.18613	36.4
329.18890	1.0
340.25717	0.3
374.22998	1.1
423.26678	0.2
441.27020	4.4
445.26639	0.2
526.28363	0.3
570.26031	0.3
588.17291	0.4
588.25836	0.2
588.34149	0.3
589.27148	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	0.6
53.03930	1.2
55.01854	1.7
55.05493	1.3
57.02469	0.6
57.03421	0.8
58.18854	0.6
61.02914	1.3
65.03908	1.3
67.05494	4.3
69.03410	1.7
69.07047	0.9
69.47169	3.3
69.47584	1.4
70.06585	5.6
71.04975	0.9
71.06898	0.6
72.08143	2.2
73.02894	0.7
75.04439	1.0
78.04681	1.0
79.05470	3.7
81.03388	2.6
81.07035	1.6
83.04947	1.1
84.04515	1.4
84.08125	5.8
84.37567	0.5
85.02893	4.5
86.09686	4.7
88.03980	0.8
89.03923	0.9
91.03924	0.8
91.05454	11.1
93.03373	1.9
93.07017	5.7
95.04941	2.9
95.19740	0.6
97.02882	1.9
97.06493	1.4
99.04431	0.7
103.03909	0.7
103.05447	8.1
104.06185	0.5
105.01863	0.7
105.03362	0.8
105.07022	5.7
106.04161	5.7
107.04934	14.2
107.08568	1.8
109.02831	0.9
109.06503	1.1
109.10136	4.7
110.07138	1.3
111.04417	1.0
115.05424	1.6
116.07070	1.1
117.06996	2.1
118.04128	1.3
119.04916	2.3
119.08545	8.1
120.08123	0.9
121.02824	0.6
121.06485	10.0
121.10115	0.9
122.02780	0.6
122.06058	0.7
123.04403	2.7
123.05209	0.6
123.08054	1.3
124.05171	0.8
125.05990	1.5
126.05476	1.0
127.03874	2.5
128.06230	0.8
129.06982	4.9
129.10167	0.6
130.07733	0.7
130.08615	7.3
131.04906	6.7
131.08536	2.3
132.05675	2.1
133.02834	0.9
133.06448	2.7
133.10059	0.7
135.04347	1.0
135.08002	3.6
137.05962	6.5
139.07455	0.7
140.07094	0.8
141.06856	0.7
145.02817	0.9
145.04973	1.2
145.06451	2.0
146.07228	2.5
147.04376	2.2
147.07985	4.4
148.05157	3.1
149.05963	10.7
149.09532	1.3
151.07527	3.5
152.04581	0.7
153.05437	1.5
153.09074	2.4
155.01578	0.9
157.06442	2.6
159.04347	0.6
159.08047	0.9
160.05202	1.2
161.05949	86.0
161.09572	22.0
162.06371	1.1
163.03885	1.0
163.07512	17.0
163.11345	0.7
165.05453	2.2
165.07352	0.5
165.09090	2.0
166.06201	1.4
167.07016	25.7
173.09555	0.7
173.11694	1.5
174.06726	2.4
175.07533	7.5
176.04698	0.8
177.05426	7.2
177.09035	2.8
179.05507	0.8
179.06981	3.8
180.07774	4.9
181.06760	0.9
181.08551	17.8
189.09074	53.8
191.06995	13.2
192.07779	3.6
193.08597	2.8
195.08060	0.8
201.09151	1.1
203.06952	0.9
207.10127	100.0
208.10561	1.5
209.08046	19.5
211.09656	0.8
219.10063	3.7
225.09018	1.1
229.14304	10.1
235.07655	1.0
251.06738	0.7
251.10629	0.7
253.08727	0.8
255.10141	0.7
257.11795	0.8
265.08502	1.1
279.10147	0.9
283.09671	1.3
283.13254	0.8
285.08130	0.5
285.11078	2.9
305.13950	0.9
311.12650	1.1
315.12198	1.7
317.13797	5.1
327.12036	0.7
328.12228	0.7
329.13757	2.4
331.15277	0.6
341.13654	2.7
343.15283	8.5
355.15384	1.2
361.16379	35.4
362.16666	1.4
373.16321	5.9
394.13028	1.6
430.15170	3.0
588.33765	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92899	0.4
52.43343	0.5
53.03930	1.0
55.01855	2.7
55.05492	1.1
56.05025	0.7
57.03417	0.7
61.02912	0.6
65.03931	0.4
67.05482	1.9
69.03410	1.5
69.07033	1.3
69.47375	0.5
70.06580	9.1
71.04969	2.0
71.22339	1.0
72.08118	2.2
73.02872	0.5
74.06071	0.6
75.04459	0.6
79.05471	4.4
79.25191	0.5
81.03380	1.9
81.07055	3.7
82.06574	0.5
84.04491	1.0
84.08124	4.0
85.02885	3.4
85.06554	0.9
86.09699	6.2
87.04441	0.6
89.06042	0.7
91.05466	6.5
91.87404	0.5
93.07015	2.4
95.04941	1.9
95.08583	2.8
95.70850	0.5
96.04481	1.2
97.02870	1.4
97.06508	1.1
98.06033	0.9
99.04429	1.2
99.08057	0.6
103.05462	3.6
105.07011	15.3
107.04919	2.2
107.08582	1.4
109.02868	1.4
109.06499	1.5
109.10101	1.0
110.07134	1.9
114.05489	2.0
115.05421	1.1
116.01686	0.5
116.07082	1.4
118.04140	3.8
119.04925	4.3
119.08534	1.4
120.05698	0.5
120.08096	1.3
121.06491	2.3
121.10120	1.5
122.07269	0.9
123.04427	0.9
123.08037	2.3
123.11725	0.7
124.05201	1.0
125.05910	0.9
125.09619	0.5
127.03883	1.3
129.10242	1.2
130.08600	2.2
131.04916	3.7
131.08496	0.7
133.04953	0.6
133.06476	12.9
133.10098	1.6
134.07202	0.5
135.04428	1.1
135.08014	2.5
136.07591	0.6
137.05959	8.0
138.05417	0.9
140.07089	0.6
141.12709	5.4
143.08574	0.5
145.05042	0.6
145.10034	0.7
146.03629	0.6
146.08078	0.7
147.04391	5.8
147.07982	0.8
147.11685	0.6
148.04993	0.5
149.05995	2.6
150.06749	7.7
151.07520	5.0
152.08182	0.7
152.93811	0.6
153.05547	0.5
155.14282	0.9
159.11819	0.6
161.05946	3.0
161.09566	1.9
163.07498	4.6
165.09097	11.2
167.07019	9.5
168.07339	0.6
175.07503	0.9
177.04066	0.6
177.05484	1.2
178.06258	1.1
179.06969	4.8
179.10510	0.5
181.08574	0.8
184.07336	0.7
192.10159	0.6
193.08569	43.3
194.08905	0.6
195.10115	0.5
209.07977	0.6
209.17584	0.6
211.09613	100.0
212.09981	1.5
212.16403	1.8
213.11069	0.6
258.58682	0.5
305.23181	1.4
316.15356	0.6
325.07138	0.5
341.13977	2.8
353.14044	0.8
373.16489	1.2
383.15039	0.5
391.71869	0.5
397.16010	0.9
420.22321	0.7
449.51129	0.5
588.25110	1.0
588.33765	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72676	0.2
53.03928	0.3
53.83883	0.3
55.01865	10.8
55.05502	0.4
57.03430	1.5
64.05682	0.3
67.05492	0.6
68.05015	1.6
69.03410	0.8
69.07061	0.5
70.06582	15.9
71.04980	9.3
71.51680	0.3
71.52081	0.3
72.08151	0.7
73.02895	0.5
75.04473	0.4
76.03994	0.3
79.05482	0.6
81.03403	0.5
81.07035	0.5
82.06587	0.3
83.04956	0.4
84.04497	2.4
84.08132	1.1
85.02892	12.6
86.09688	0.9
87.04464	0.4
91.05466	1.1
92.02060	0.3
93.07035	0.8
94.06541	0.4
95.04946	0.4
95.08594	0.6
96.04477	55.8
97.06576	0.4
99.04420	0.3
103.05479	0.4
105.03387	0.3
105.06990	1.5
107.04955	1.3
107.08567	0.4
109.02867	0.4
109.06521	0.3
109.10171	0.4
111.04395	0.6
114.05511	100.0
116.07083	0.4
118.04137	0.5
118.18816	0.2
119.04912	0.7
119.08559	0.4
120.08110	0.4
121.02837	0.6
121.10146	0.6
122.06007	2.8
123.04379	0.4
123.08051	0.5
124.03966	0.3
127.03893	0.7
129.05441	2.8
130.08658	1.2
131.04912	0.8
131.08580	0.3
133.06467	1.2
133.10112	0.5
135.04430	0.6
135.08057	0.4
137.02327	10.8
137.03400	0.8
137.05956	1.1
145.04855	0.3
147.04430	1.3
147.06471	0.5
147.11749	0.3
149.02301	0.4
149.05940	0.6
150.06686	0.4
151.07535	0.7
161.06038	0.4
161.09604	0.3
163.03899	2.0
163.07481	1.4
165.09085	0.9
167.07040	1.7
167.08244	0.3
172.06073	0.4
172.09654	0.6
173.13060	0.3
175.03899	2.1
179.03394	1.3
179.07047	0.4
181.08582	0.4
187.03841	0.3
191.03358	2.9
191.07013	0.4
193.08580	3.7
195.10143	0.9
203.03264	0.3
207.06512	0.4
209.08102	0.3
211.07585	0.5
211.09610	7.6
211.11508	0.5
213.05531	0.3
213.11188	0.6
221.05957	0.3
229.14154	0.4
239.07063	1.0
255.06546	1.1
257.08139	0.5
267.06720	0.7
273.07608	0.3
285.07526	0.4
295.05945	0.7
311.05420	0.4
313.07050	3.1
315.04968	1.0
320.14728	0.3
323.05423	0.6
329.06494	39.3
330.06796	0.6
340.21082	0.3
341.06500	50.3
342.06808	0.8
380.11273	0.7
398.12302	11.1
406.09140	0.8
412.21692	0.4
424.10196	11.9
442.11255	48.2
443.11609	0.7
475.12180	0.7
487.11771	0.5
544.17871	0.7
570.15887	2.1
588.17029	1.7
588.24481	0.5
589.18646	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.4514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	1.5
57.07067	77.9
58.46197	0.8
59.04714	1.1
59.04993	16.8
69.07042	1.8
69.83714	4.8
70.81926	0.8
71.08620	75.4
73.06533	3.5
75.19413	0.8
83.08585	1.0
84.08125	0.9
85.10168	65.0
87.04453	9.0
89.06016	100.0
97.10145	0.9
99.11712	7.1
103.07574	7.2
107.07048	2.2
117.09115	2.0
121.08587	1.0
122.10527	0.8
130.08595	2.3
131.07005	5.4
133.08582	79.4
141.16360	6.6
161.11700	1.4
175.09641	4.6
177.11188	42.0
195.29669	1.1
198.65622	1.0
199.20578	10.5
219.12160	1.8
221.13814	7.0
234.10683	0.9
239.14838	1.2
243.23189	8.2
265.16559	2.3
283.17551	5.7
307.96182	0.9
327.20038	4.4
353.21716	4.0
357.01846	1.0
371.22690	32.6
411.25873	4.3
429.26859	1.6
569.42487	8.1
586.45392	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	587.4093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	3.4
57.03421	4.6
57.07065	100.0
57.84742	1.2
58.04206	12.7
59.04700	1.9
59.04992	39.1
60.04510	2.6
64.34528	1.2
67.05505	7.7
69.07044	6.2
70.07864	1.6
70.45673	1.3
70.46002	3.1
71.04981	3.3
71.08618	96.7
72.05762	15.9
72.08983	1.6
73.02905	8.7
73.06539	24.5
74.03683	1.2
75.10385	1.4
81.07037	5.5
82.07814	3.9
83.08598	5.8
85.06577	1.1
85.10167	87.8
86.07317	3.9
86.10503	1.3
87.04450	30.5
87.08083	1.4
87.91009	1.1
88.05251	4.4
88.07594	1.3
89.06014	45.0
90.01899	54.7
91.05426	1.2
93.07050	1.5
95.08587	4.9
96.09364	2.6
96.09937	1.2
97.06480	1.5
97.10142	3.0
99.08105	1.5
99.11697	8.1
101.06008	4.6
102.05540	2.8
102.06785	2.5
103.07562	20.8
105.07030	1.4
107.08581	1.5
109.10154	3.7
111.08031	1.3
111.11716	2.5
115.07544	1.3
116.08307	5.9
117.09116	17.7
121.08570	1.8
127.14806	1.6
129.09119	1.6
130.08665	1.5
131.07010	4.6
133.08583	21.8
135.10130	1.6
138.14018	6.1
141.16344	7.5
147.10127	4.8
155.17873	2.0
161.11705	2.6
164.12755	1.4
165.11205	4.2
169.15831	7.3
175.09554	1.7
177.11182	13.6
178.07066	10.0
179.12801	3.8
180.12282	3.2
181.19458	1.4
186.11067	1.2
189.03690	1.3
191.30864	1.4
194.13843	1.9
198.19768	5.1
199.20526	11.9
207.12247	1.6
208.15457	7.5
209.13698	3.6
221.13843	3.0
222.09695	13.5
222.16963	4.5
223.15356	1.8
224.14897	2.8
231.15631	1.3
238.16551	2.5
239.14944	2.3
242.22318	2.3
243.22986	5.7
252.18034	5.3
254.15912	1.8
266.12277	8.1
266.19626	7.6
267.17963	3.3
268.17581	2.3
271.16220	3.1
273.25262	1.4
282.19037	3.4
285.17789	2.5
287.25815	1.7
296.20648	9.9
312.20059	6.4
340.23093	1.6
348.31006	8.3
372.18607	16.1
392.33478	2.7
408.33139	2.1
411.31738	1.5
436.36279	26.1
452.35635	2.2
455.34250	1.3
480.39005	2.8
489.35574	2.8
496.38278	4.1
587.41144	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	586.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59847	0.4
57.07052	1.3
59.04976	0.4
59.33885	0.4
67.05485	1.2
69.03419	0.7
69.07046	1.2
69.41747	4.0
70.02922	0.9
70.06578	0.6
72.04501	3.3
72.08141	0.6
73.02892	1.1
74.02425	0.7
83.80183	0.4
84.08121	0.6
85.02882	1.3
85.06537	2.5
86.09696	0.6
87.08100	0.5
89.03853	0.6
90.05539	34.1
91.05456	0.7
95.04960	1.4
97.02837	0.7
98.02393	3.5
100.03952	0.9
103.07560	1.8
113.05990	0.7
116.03431	5.2
117.03329	0.5
118.06508	2.9
119.04939	0.8
119.06825	0.5
124.07568	4.8
132.08104	0.6
137.05948	4.2
142.08618	2.5
143.35756	0.4
144.08086	2.0
145.02802	0.5
145.08406	0.5
146.05992	9.7
146.08220	0.6
147.04405	3.2
147.06288	1.2
156.10153	0.6
159.09145	1.2
160.09598	0.9
165.26445	0.5
166.08635	0.7
174.11241	0.5
177.05426	1.9
184.09656	6.9
188.07031	13.8
189.07365	2.2
202.10698	13.1
205.09685	5.8
206.10030	1.3
220.11760	100.0
382.16937	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	585.4313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	4.4
57.03426	2.9
57.07067	100.0
58.04194	5.0
58.07405	1.6
59.04701	2.3
59.04994	44.1
67.05487	4.3
69.07065	5.8
70.84925	1.1
71.04961	1.5
71.08620	74.8
71.45586	2.2
72.05744	3.2
73.02917	2.8
73.06564	2.6
79.05484	2.7
81.07034	6.6
82.07853	1.1
83.08602	4.3
85.10168	62.9
86.07301	2.8
86.10483	1.8
87.04462	5.4
87.08104	2.6
88.05226	1.7
89.06007	6.9
90.01907	16.3
91.05463	2.4
93.07018	3.4
95.04947	1.3
95.08594	4.8
97.10137	5.0
97.14481	1.2
99.11718	13.8
100.08910	1.8
101.05983	1.7
101.09644	5.3
103.07558	3.0
105.06996	2.6
107.03408	1.1
107.08560	3.9
109.10119	2.6
111.11688	1.5
113.13265	5.7
115.07539	1.6
116.08311	1.2
117.09115	13.1
119.08508	3.7
130.08673	1.1
131.08574	2.4
133.08585	2.7
133.10112	2.7
145.10144	2.5
147.10124	1.4
152.15625	2.9
155.17921	10.4
157.10115	2.8
159.11696	2.4
165.11232	1.9
175.13281	1.1
178.07089	1.8
183.17397	1.8
193.14284	2.1
193.34781	1.2
212.21387	1.6
213.22095	18.1
222.09721	9.2
240.10728	2.4
253.61926	1.2
254.24695	1.6
271.26260	19.6
281.19644	1.9
287.18500	1.4
287.25696	1.4
288.18719	2.0
298.14938	2.4
356.19357	2.4
372.23206	1.4
386.89517	1.2
401.82043	1.1
434.38351	4.8
550.41632	3.1
552.64795	1.4
585.43060	8.2
585.56000	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	586.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.2
56.05022	1.6
58.96912	1.0
65.03917	2.7
67.05482	3.1
69.03402	3.0
70.06570	13.6
71.54265	1.5
72.08138	3.9
75.04454	4.2
78.04669	1.3
79.05481	2.6
81.03400	2.3
81.07027	2.9
82.06555	1.3
84.04477	3.0
84.08134	8.1
85.02894	5.6
85.06500	1.5
86.09695	8.2
89.03883	1.5
91.05460	11.9
93.03379	11.0
93.07016	6.8
95.01271	1.0
95.04938	5.4
95.08569	2.1
97.06526	2.1
99.08077	1.5
102.05499	1.9
103.05441	3.9
105.06982	2.3
106.04144	22.3
107.04986	2.6
107.08549	1.6
108.47559	1.1
109.02841	1.1
109.06509	2.0
109.10143	1.8
110.07187	2.5
111.04414	1.1
116.07072	2.7
119.04916	3.3
119.08554	2.7
120.08092	2.7
121.06490	22.8
123.04430	1.8
123.08044	1.5
125.05951	7.2
127.03880	1.3
129.10187	3.3
130.08614	4.4
130.93373	1.1
131.04922	2.3
131.05972	1.2
131.08568	1.4
133.06430	2.5
134.03610	3.2
135.04350	1.4
135.08014	2.1
136.06157	7.5
136.07591	2.5
137.05841	8.4
137.09494	1.9
138.06769	1.9
139.07489	2.1
145.06415	1.3
147.04395	2.3
149.05951	35.5
151.03772	1.1
151.07503	4.3
153.09062	10.7
161.05969	2.7
163.07468	3.0
165.05460	1.1
167.07068	5.4
176.57475	1.2
177.05437	21.5
179.07005	2.7
181.08542	13.8
184.07310	1.7
191.07007	1.6
193.08575	1.8
207.13875	1.3
209.08043	100.0
266.50726	1.3
357.13281	2.4
357.98856	1.2
358.16855	1.5
371.14417	1.1
424.24255	3.9
587.09454	1.2
590.40155	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3774
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69098	1.8
53.03933	2.3
55.05511	12.0
56.05812	2.8
57.07068	22.7
58.07388	3.8
59.04971	8.7
67.05505	14.5
68.05806	3.2
69.03429	4.0
69.07050	11.3
69.61549	8.6
69.61970	5.2
70.07388	4.0
71.08617	18.1
72.08946	3.9
73.02898	8.9
79.05473	13.1
80.05800	3.3
81.07043	24.9
82.07389	5.5
83.04976	4.3
83.08598	7.6
85.06532	5.2
85.10175	11.1
86.10513	4.0
87.04452	2.8
89.06019	6.7
91.05460	24.0
92.05798	8.3
93.07036	34.3
94.07382	10.9
95.04949	10.2
95.08585	19.3
96.05293	2.2
96.08923	8.6
97.06509	4.2
97.10189	2.3
99.11697	2.5
103.03938	4.9
105.07008	36.1
106.07339	10.8
107.08567	29.6
108.08893	10.3
109.06515	3.1
109.09390	1.9
109.10131	8.9
110.10483	2.4
115.05417	4.6
117.07001	8.8
118.07299	4.5
119.08546	37.1
120.08889	16.5
121.06462	4.9
121.09237	3.2
121.10099	26.6
122.10449	11.4
123.08045	9.4
123.10840	2.2
123.11671	5.5
124.08377	4.0
125.09631	2.6
128.06215	3.1
129.06941	6.9
130.07756	3.0
131.08560	18.0
132.08879	9.8
133.06453	2.2
133.08578	3.5
133.10124	20.5
134.10439	9.2
135.08018	5.7
135.11664	7.4
136.08348	2.5
136.11974	2.5
137.09589	4.1
138.08897	2.0
138.09937	2.2
141.06944	5.4
141.37155	2.0
142.07788	10.1
143.08566	17.3
144.08955	7.5
145.09065	2.4
145.10123	26.8
146.10426	12.1
147.08012	4.8
147.11716	9.3
148.08360	4.0
148.11972	3.8
149.09610	4.9
150.09966	3.1
151.07530	5.1
152.07834	5.7
155.08517	5.6
156.09164	6.9
157.10136	19.3
158.10458	14.1
159.08026	3.0
159.11749	15.0
160.08484	2.2
160.12025	8.6
161.09573	3.5
161.13240	4.3
163.11214	2.4
165.06880	2.5
165.09055	7.3
166.09494	2.9
167.10707	11.8
168.09282	2.2
168.10986	5.8
169.10043	13.6
170.10493	8.9
171.11707	13.4
172.12042	6.7
173.09627	2.5
173.13281	12.6
174.13593	6.7
175.14839	4.5
179.08543	5.7
180.09091	4.1
181.10054	7.9
181.12178	2.7
182.10634	6.6
182.12387	2.7
183.11517	8.5
184.12042	11.5
185.13118	8.6
186.13530	8.5
187.14871	2.7
189.12724	2.2
190.13020	3.1
191.14279	5.3
192.09285	3.0
193.09981	4.5
194.10710	4.8
195.11668	9.4
196.12125	7.1
197.13185	10.3
198.13562	9.0
198.55487	1.8
199.14496	2.6
202.16611	2.1
203.14308	2.7
204.14774	3.1
206.10806	4.0
207.11514	6.2
207.13644	4.5
208.12094	7.6
208.14023	4.4
209.13187	13.8
210.13492	11.6
211.14616	3.8
212.15189	2.5
213.16312	2.6
215.14336	2.2
217.15875	1.9
219.11455	5.0
220.12114	3.7
221.13060	7.4
221.15305	9.1
222.13579	8.3
222.15714	6.9
223.14288	4.7
224.15167	6.6
225.15904	1.9
226.16653	3.7
231.11531	2.0
232.12161	3.5
233.13184	4.4
233.15337	4.6
234.13551	5.5
234.15833	4.3
235.14557	3.7
236.15147	5.6
237.16133	5.7
238.16588	3.8
239.17340	2.1
244.12086	2.3
246.13695	3.2
247.14720	3.6
248.15137	4.4
249.16232	3.3
250.16632	4.4
251.17664	3.6
252.18356	2.3
253.19073	2.3
255.17520	2.3
259.14603	2.6
260.15128	4.1
261.15924	4.5
262.16705	4.1
265.19156	2.3
266.19714	4.7
270.19141	2.7
272.14865	2.9
273.16119	2.4
273.21033	2.0
274.16690	2.1
275.17767	3.1
276.18210	3.3
278.19800	3.2
283.20602	3.9
284.20834	5.5
285.21518	2.7
296.20816	3.9
303.20535	2.1
349.25058	3.1
350.25552	2.6
392.90756	2.3
549.39453	5.9
567.40942	30.5
585.41504	100.0
585.56665	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	585.3767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66920	2.8
54.67739	2.7
55.05486	4.4
57.03402	2.9
57.07066	35.3
58.07389	5.3
59.04994	23.1
62.87576	2.3
67.05508	4.3
69.07030	4.5
71.08620	43.6
71.53683	4.5
72.08948	7.0
73.02895	2.7
74.84415	2.3
79.05486	5.3
81.07040	11.1
83.08591	5.3
85.10172	33.3
85.15765	2.3
86.10491	10.4
87.04422	5.5
89.06011	10.4
89.87526	2.7
90.70412	2.8
91.05449	6.2
93.07015	9.5
95.08600	7.7
97.10163	2.9
101.09595	2.8
103.07567	4.0
105.07028	11.8
107.08580	5.5
109.10087	4.6
117.06954	4.4
117.09101	4.4
119.08541	9.6
121.10091	5.5
127.14819	2.8
130.07664	2.6
131.08530	4.1
133.08568	3.4
133.10078	3.9
143.08533	5.9
145.10078	7.6
147.11758	2.7
157.10062	4.3
159.11699	5.8
161.13313	2.4
165.09123	2.7
172.11998	2.8
173.13152	3.3
174.56470	2.4
185.13164	3.0
185.18936	6.1
221.15379	4.6
222.15717	3.4
243.23134	9.7
244.23462	7.0
250.01410	2.7
300.28680	2.5
308.09375	2.4
311.29437	3.3
515.22833	3.3
531.12189	2.7
567.40668	7.0
572.65131	2.7
584.55548	6.4
585.36713	100.0
585.55847	12.7
586.37036	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	585.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	6.9
54.98821	3.6
55.01857	9.5
55.05493	26.1
57.03413	8.3
57.07043	3.7
61.02903	12.9
65.03912	6.9
67.05167	5.6
67.05492	80.5
69.03419	40.2
69.07051	34.1
71.01317	4.8
71.04969	12.6
72.90138	3.5
73.02899	8.3
79.05476	63.1
81.03401	43.4
81.07034	100.0
83.04958	17.6
83.08598	15.1
84.08128	6.3
85.02888	40.5
85.06516	5.1
87.04432	5.8
91.03928	5.7
91.05463	56.4
93.07021	77.4
95.04937	18.9
95.08587	69.0
97.02892	25.0
97.06503	11.6
97.10164	7.6
99.04439	10.0
103.03901	4.3
103.05418	8.0
105.06374	6.0
105.07012	62.5
107.04925	12.0
107.08577	49.2
109.02851	14.2
109.06490	12.7
109.10133	32.7
111.04414	13.1
115.03888	5.0
117.06983	35.9
119.08549	53.8
121.06454	8.4
121.10117	38.5
121.81342	4.7
123.04380	7.0
123.08024	6.2
123.11682	14.9
127.03897	26.7
128.06207	5.5
129.06969	22.7
131.04901	13.1
131.08521	56.1
133.06491	8.2
133.10094	42.9
135.08006	10.4
135.11688	20.6
137.05930	4.8
137.09552	4.1
141.06961	4.9
143.08524	22.9
145.04929	5.7
145.06422	8.3
145.10091	39.5
147.08009	8.1
147.11662	32.2
149.13240	18.5
155.08514	13.4
157.06467	4.6
157.10098	19.1
158.10701	4.5
159.08093	5.6
159.11682	30.7
161.09573	8.1
161.13210	15.3
163.11137	7.5
169.10005	8.4
171.08020	7.5
171.11658	16.7
173.09508	5.9
173.13226	22.6
175.14775	9.7
181.10127	7.0
183.11676	15.5
185.13194	14.8
187.11063	8.7
187.14787	12.7
189.12714	3.9
191.17921	10.2
195.11661	6.5
197.13187	4.5
199.11140	6.9
199.14810	10.7
201.12790	6.4
201.16344	7.4
203.14255	5.3
207.11606	4.3
209.13318	8.7
219.13634	4.5
231.13718	4.5
233.15234	6.8
237.58891	3.6
239.14172	4.6
247.17027	8.5
259.20459	9.6
261.22076	20.8
275.20325	3.8
275.23599	4.2
277.21500	10.0
279.23373	5.7
286.45947	4.2
289.21707	6.8
291.22971	4.8
301.21609	12.0
303.23083	14.5
309.41678	3.8
313.21472	6.2
315.23065	6.0
317.24701	3.8
327.23181	10.2
331.22543	5.5
333.21912	4.0
341.24823	10.7
343.22363	5.4
345.24094	10.7
351.23047	14.0
357.23978	6.2
359.25644	4.8
366.27805	4.2
369.24210	49.5
387.25162	37.6
398.30676	3.5
405.26279	38.8
423.26813	19.3
447.27417	7.2
513.28204	8.6
531.28912	16.4
549.30298	12.6
567.31458	12.1
585.26855	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	584.4721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	2.5
57.03429	1.2
57.07067	100.0
59.04992	32.8
67.05502	2.2
69.07058	3.1
70.10840	2.2
71.08620	67.0
77.23374	0.6
79.05495	2.4
80.00401	0.9
81.07043	4.3
83.08613	2.1
85.06557	0.7
85.10170	60.3
86.10470	0.6
87.04462	3.1
88.07662	0.9
89.06017	33.8
91.05458	5.8
93.07023	6.4
95.04973	2.4
95.08625	2.6
97.10146	1.6
98.20853	0.9
99.11709	11.1
101.09650	4.1
103.07586	1.9
103.59042	0.7
105.07009	7.6
106.07352	1.1
107.08583	4.4
109.06501	0.9
109.10182	2.5
111.11706	1.1
113.13258	5.7
115.05470	0.8
117.07035	2.3
117.09114	11.2
117.09876	0.7
119.08571	7.9
120.08889	1.1
121.10126	4.0
122.10506	1.0
123.08055	1.0
128.06236	1.3
129.06996	1.0
130.08672	1.8
131.08533	4.0
133.08585	29.5
133.10028	3.8
135.08073	0.8
135.11731	0.9
141.07030	1.3
141.16422	0.8
142.07797	2.6
143.08557	4.5
144.09276	1.0
145.10103	5.3
147.10307	0.8
147.11720	2.1
149.09610	0.9
151.09616	0.7
155.08577	1.3
155.17917	11.0
156.09311	1.2
157.10135	4.6
158.10564	1.5
159.11687	2.7
161.09596	0.9
165.09128	1.1
167.10645	1.1
168.09250	0.7
169.10173	2.4
171.11615	3.8
172.12177	0.8
173.13280	2.3
174.13768	0.9
175.09682	1.0
175.14949	1.2
177.11191	8.8
181.10086	1.3
182.10817	0.9
183.11694	3.0
184.12296	1.4
185.13313	2.0
189.12834	0.9
191.12770	0.9
193.10208	1.0
195.11765	1.1
196.12297	1.0
197.13312	2.0
198.13734	1.0
199.14818	1.5
207.11742	1.4
207.13846	1.2
209.13332	2.7
210.13660	0.8
211.14722	1.8
213.22093	21.8
220.12341	0.8
221.13528	3.8
221.15697	1.3
222.15816	1.4
223.14807	1.0
225.16360	0.7
235.14862	1.0
236.46547	0.7
237.16565	0.8
239.14876	11.2
247.14728	0.8
254.24939	1.4
261.16354	0.9
263.18091	0.7
271.26285	23.3
271.29004	1.4
276.18442	0.8
279.18198	1.6
286.19720	0.7
297.19058	7.6
300.28989	1.2
311.29596	2.2
329.30527	1.0
337.22311	1.5
355.23413	2.9
371.22809	7.0
395.26617	1.2
418.64587	0.8
492.35687	0.9
496.54968	0.7
510.34601	0.8
567.44989	1.3
584.42120	6.1
584.48694	2.0
584.55029	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	584.4724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	4.3
57.03422	2.8
57.07067	100.0
57.73005	0.6
59.04993	50.3
63.01157	0.7
67.05499	4.6
67.44216	0.8
69.07056	4.5
70.06592	2.3
71.02436	0.8
71.02775	1.7
71.08622	94.9
79.05494	3.1
81.07043	6.4
83.08603	4.9
85.06556	1.1
85.10170	89.2
87.04471	2.7
88.07607	1.0
89.06020	22.4
91.05466	4.5
93.07021	6.7
94.07367	1.2
95.04963	2.0
95.08614	5.9
96.08950	0.9
97.06510	1.7
97.10171	2.2
99.08109	1.1
99.11714	11.4
100.07636	0.8
101.06030	1.4
101.09639	5.9
103.00281	0.9
103.07585	3.2
105.07018	9.3
106.07371	1.3
107.07064	1.3
107.08592	5.4
109.06545	0.9
109.10153	3.3
111.11729	1.0
115.05385	0.9
117.07029	1.6
117.09111	16.5
117.09895	1.0
119.08561	10.6
119.09333	0.8
120.08933	1.1
121.10126	5.3
122.10513	0.8
123.08070	2.4
123.11722	1.2
128.06168	0.8
129.07002	1.8
130.08649	2.3
131.07083	1.0
131.08531	5.2
133.08594	11.3
133.10112	4.7
134.10448	1.2
135.08063	1.2
135.11705	2.3
137.09645	1.8
141.16360	11.6
142.07805	1.7
143.08536	5.0
144.09145	1.1
145.10103	7.1
146.10551	1.7
147.08073	1.4
147.10201	2.5
147.11685	2.5
149.09557	1.0
151.07565	1.1
155.08334	0.8
155.17963	1.1
156.09390	1.7
157.10164	5.2
158.10641	0.8
158.11877	1.0
159.08069	1.0
159.11633	3.7
161.09613	1.2
161.13293	0.9
165.09166	2.8
166.09560	0.9
169.10172	2.6
171.11749	3.3
172.12138	0.8
173.13324	1.2
175.14836	1.4
177.11218	8.8
177.12686	1.0
179.08575	1.5
180.09209	0.7
181.10062	1.7
182.10954	0.8
183.11691	3.0
185.13350	2.4
186.13756	0.8
187.14825	1.6
191.12761	1.2
193.10210	1.0
195.12244	7.4
197.13220	1.5
198.13748	0.9
199.15041	0.7
199.20541	34.6
207.11740	1.6
209.13356	2.4
210.13600	1.5
211.14822	1.2
212.15504	0.8
213.22318	1.1
221.13269	1.6
221.15460	4.7
222.15842	1.8
223.14850	2.0
233.13329	0.9
235.15311	2.3
240.23273	2.1
247.14922	0.9
253.16428	6.8
256.26431	1.1
257.24716	40.7
271.26331	0.9
283.26505	1.4
293.19638	1.4
300.29111	2.9
311.20554	3.9
311.29401	4.4
315.29105	3.0
328.31955	1.1
351.24115	0.8
369.25113	1.6
370.00970	0.9
410.42773	0.8
541.40167	1.1
566.40924	4.6
567.44550	2.1
584.40601	12.5
584.55646	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	584.4724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	3.2
57.07071	31.5
59.04983	2.1
63.65749	0.9
67.05492	2.0
69.07058	5.7
70.06580	2.9
71.08623	30.3
71.52859	1.7
73.06547	6.6
77.21314	0.8
79.05480	2.1
81.07030	2.6
83.08604	4.2
85.10173	17.7
87.04466	5.6
88.07607	2.4
89.06019	100.0
91.05450	2.4
93.07012	3.7
95.04955	2.2
95.08593	3.4
97.10171	5.5
99.11721	3.2
105.07012	3.9
107.07057	4.5
107.08577	1.5
109.10137	1.6
111.11679	2.2
113.13259	1.9
117.07059	1.1
117.09148	5.4
119.08565	5.1
121.10112	2.6
123.08019	1.5
125.13280	1.6
130.08617	6.0
131.07054	1.4
131.08531	1.9
133.08582	51.4
133.10144	2.5
135.10100	1.2
135.11693	1.0
139.14778	1.1
143.08537	1.6
145.10115	3.7
147.11629	1.8
156.09280	1.0
157.10033	2.3
159.11647	2.0
159.15768	0.9
161.11678	1.7
169.10112	1.1
171.11635	2.0
175.09674	1.2
177.11201	26.2
183.11755	1.2
185.13124	1.2
193.10144	1.0
197.13286	1.5
197.22653	3.0
199.14792	1.3
209.13187	1.4
221.13707	4.2
239.14905	1.8
241.25208	3.4
256.26294	2.1
265.16580	1.2
269.34409	1.1
283.17627	3.1
283.26077	1.4
285.27884	10.0
300.28931	4.4
311.29343	8.2
327.20123	2.1
329.30411	6.3
371.22659	12.9
479.38940	1.2
492.35590	1.8
523.41479	1.2
566.40802	1.4
567.44598	16.1
584.41132	11.5
584.55762	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.8
55.05288	1.1
55.05503	11.4
57.03426	2.1
57.07064	36.8
59.04989	18.8
65.03893	3.0
67.05489	20.1
69.03410	3.3
69.07061	11.8
69.98537	6.7
70.06578	2.8
71.08617	28.5
79.05476	24.6
80.06247	1.3
81.07045	31.3
83.04950	4.6
83.08602	8.8
85.06506	3.7
85.10171	21.2
87.04485	2.7
89.06022	11.1
91.05460	48.7
93.07027	48.2
93.42136	1.2
94.07795	1.7
95.04948	29.4
95.08584	30.0
97.06512	3.3
97.10133	2.4
98.21463	1.8
99.11722	2.4
101.09631	3.1
103.05450	3.5
103.07552	3.2
105.07010	74.7
106.07767	5.2
107.04930	2.2
107.08575	39.0
109.06493	5.7
109.10136	22.3
111.08052	2.0
115.05423	5.8
116.06208	3.7
117.06998	25.7
117.09074	3.3
118.07794	2.5
119.04940	1.4
119.08559	100.0
120.09381	7.4
121.06462	5.2
121.10121	32.0
123.08045	20.0
123.11673	6.6
125.09599	2.8
125.85180	1.5
128.06187	14.3
129.06985	24.2
130.07739	8.9
130.08649	2.5
130.60681	1.3
131.08545	56.5
132.09274	4.3
133.06445	3.1
133.08517	4.2
133.10107	48.0
134.10803	2.4
135.08037	12.3
135.11670	16.1
137.09596	6.1
138.10391	8.5
139.11180	2.6
141.06963	10.2
142.07756	18.4
143.07475	2.9
143.08533	39.0
144.09364	9.1
145.06447	4.7
145.10091	59.9
146.10800	3.2
147.08025	4.1
147.11661	23.0
148.12395	1.6
149.09622	7.4
149.13254	3.4
151.07462	1.5
151.11172	5.3
153.06941	4.7
154.07697	3.6
155.08511	18.3
155.17871	1.8
156.09320	17.5
157.10107	42.5
158.10852	8.5
159.08038	5.9
159.10426	2.5
159.11668	35.2
160.12332	2.8
161.09587	5.3
161.13162	9.9
163.11134	3.7
165.06982	7.1
166.07709	3.6
167.08510	11.9
168.09271	8.1
169.10069	24.4
170.10872	10.9
171.08087	1.9
171.11661	27.3
172.12410	5.7
173.09642	2.1
173.13229	26.5
174.13768	1.6
175.11156	4.5
175.14798	19.5
177.11246	3.2
177.12692	4.2
178.07718	2.4
179.08521	11.6
180.09282	6.0
181.10071	21.2
182.10881	9.6
183.11650	29.0
184.12395	5.3
185.09608	3.9
185.13226	17.3
185.19005	1.8
186.13902	2.3
187.05898	1.7
187.11151	6.2
187.14795	16.3
189.12698	4.2
191.14291	4.3
192.09320	5.6
192.14845	1.7
193.10072	11.9
194.10826	6.9
195.11670	21.7
196.12436	9.4
197.09592	2.1
197.13202	21.7
198.13934	2.4
199.11162	3.8
199.14751	9.2
199.20609	3.7
200.11882	1.6
201.12637	3.1
201.16374	7.1
203.14290	5.4
205.10042	3.0
206.10855	3.7
207.11670	13.6
207.13734	3.8
208.12401	5.0
209.13219	28.7
210.13951	3.9
211.11278	1.6
211.14761	11.0
212.15388	1.9
213.12662	2.2
213.16406	4.9
215.14305	2.6
216.09459	2.0
217.10104	2.8
217.15811	4.4
218.10760	2.4
219.11656	6.1
219.17468	3.4
220.12430	3.8
221.13275	10.3
222.13942	4.8
223.14699	11.1
224.15573	2.6
225.12680	2.7
225.16302	5.8
226.17026	2.0
227.14238	3.6
229.15739	2.3
231.11613	3.1
232.12306	2.2
233.13208	5.8
233.15297	3.2
234.13980	2.2
235.14775	8.1
236.15388	1.7
237.16330	8.0
238.16965	2.0
239.17923	5.3
240.15100	2.1
241.15794	3.3
241.19499	1.7
243.23167	1.7
244.12355	1.6
245.13176	4.3
246.13959	1.8
247.14795	6.1
249.16362	5.2
251.14055	1.7
251.17885	4.9
253.15929	3.4
253.19589	1.5
255.17455	5.6
256.26318	2.5
257.18991	2.8
257.24728	8.4
259.14728	3.4
259.20566	1.7
261.16348	4.2
262.16956	1.6
263.17877	3.9
265.19452	4.9
267.17313	1.6
267.20862	2.0
269.18866	2.0
270.19785	3.4
271.20514	2.0
273.16196	1.8
274.16852	1.8
275.17776	2.9
277.19302	2.9
279.17496	2.3
279.20947	2.5
281.18979	3.6
283.20523	6.0
285.22015	4.4
287.17966	2.0
289.19421	2.8
291.20975	2.2
293.19110	2.4
297.22043	3.5
300.28815	7.3
303.21057	2.9
307.20453	1.5
311.29327	9.7
315.28784	2.2
321.22083	6.7
323.23660	3.2
329.03888	1.5
335.23480	3.9
336.24387	4.2
337.25513	2.5
338.26031	1.4
339.23206	2.3
349.25183	2.8
354.25436	16.6
360.24371	1.5
367.26297	2.3
413.28519	1.6
415.29968	1.7
429.31741	2.1
446.31494	7.5
474.34586	2.8
492.35867	14.5
512.08124	1.7
566.40472	2.2
584.41913	40.1
584.55902	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.1
55.05488	12.2
57.07076	21.0
59.04995	7.5
65.03969	3.6
67.05489	23.2
69.03423	8.0
69.07056	15.8
69.71127	5.3
69.71533	17.9
70.06597	3.5
70.93117	3.1
71.04963	4.5
71.08610	12.2
72.89081	2.8
74.71353	2.8
79.05482	32.3
80.06268	7.8
81.06577	5.5
81.07037	51.8
83.04988	7.4
83.08592	9.6
85.06517	5.0
85.10181	5.7
87.04482	5.7
89.06020	25.8
91.05462	39.9
93.07036	60.2
95.04952	32.5
95.08591	27.8
97.06509	12.3
97.10168	4.9
103.05439	4.6
105.07016	97.2
106.07320	5.9
107.08582	40.3
109.06506	8.7
109.10119	24.5
115.05436	5.4
117.07015	28.1
119.08565	81.1
120.10355	3.0
121.06478	7.2
121.10117	38.2
123.08044	40.1
123.11657	5.1
125.09575	7.4
128.06194	12.7
129.07013	18.6
130.07748	12.8
130.08606	4.1
131.08539	47.1
132.09305	7.0
133.08582	15.9
133.10109	52.0
135.08057	8.7
135.11662	16.2
137.09627	11.0
138.10379	8.5
140.26703	3.6
141.06920	8.0
142.07777	21.3
143.08543	45.9
144.09290	13.3
145.06432	4.4
145.10101	100.0
146.10719	6.1
147.08023	11.6
147.11649	27.1
149.09641	5.9
151.07468	4.7
151.11249	4.8
153.07016	3.5
155.08531	16.5
155.10622	12.8
156.09322	20.6
157.10107	55.7
158.10887	18.0
159.08040	11.1
159.11670	45.0
160.08786	4.7
160.12376	6.8
161.09645	8.4
161.13251	11.9
163.11200	4.3
165.06902	4.9
165.09094	15.9
166.09409	5.2
167.08539	5.5
168.09366	6.2
169.10094	19.9
170.10831	10.3
171.11664	41.8
172.12236	4.6
173.09604	3.4
173.13228	19.2
175.14771	9.3
177.11217	6.8
179.08511	6.5
180.09335	4.7
181.10027	15.2
181.12372	3.5
182.10823	6.4
183.11684	23.5
184.12202	6.5
185.13214	23.2
187.11188	3.9
187.14832	10.6
189.12714	4.6
191.14305	6.2
192.09286	5.2
193.10066	12.6
194.10927	9.7
195.11652	16.3
196.12405	12.0
197.13181	25.2
198.13869	6.1
199.11076	4.7
199.14809	11.3
200.15327	5.6
201.16273	4.7
203.14268	6.0
207.11684	14.2
208.12361	4.6
209.13158	16.4
210.13724	4.9
211.14745	18.2
213.16383	14.4
215.14235	4.9
217.15823	6.0
219.11659	3.7
221.13239	7.7
221.15350	35.3
222.15718	15.3
223.14819	11.9
224.15298	5.2
225.16391	12.4
227.14270	4.1
227.17912	3.3
231.11627	5.5
233.13185	7.0
234.13840	6.0
234.16112	4.1
235.14737	9.0
236.15578	3.8
237.16278	9.8
239.14751	3.6
239.17606	3.8
247.14830	5.9
249.16347	6.9
251.18013	4.5
253.19559	3.2
256.26306	5.9
259.14911	3.7
263.17950	5.1
275.17929	3.5
277.19275	3.5
279.65558	3.6
283.26205	5.5
286.18909	3.5
289.19250	3.8
291.20679	4.1
300.28946	6.6
311.29315	12.0
328.32159	3.9
371.22794	12.0
446.31540	8.7
460.54642	3.6
474.34503	3.7
492.35928	17.1
492.41837	3.9
504.35541	3.4
566.40387	8.9
584.41852	64.4
584.55829	44.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.8
55.05494	6.0
56.43635	1.7
57.07071	11.8
59.04992	4.7
67.05497	12.2
67.43900	1.4
67.87727	1.6
68.06272	1.6
69.03417	6.9
69.07056	6.9
71.08615	4.2
79.05489	15.6
80.06255	5.1
81.07053	25.3
82.88983	1.4
83.04968	2.3
83.08604	3.2
85.06507	3.8
85.10209	3.3
89.06033	10.4
91.05470	26.9
93.07034	30.1
94.07339	1.8
95.04970	17.0
95.08604	17.9
97.06524	3.9
98.20798	4.6
105.07016	55.8
106.07817	4.5
107.04920	2.7
107.08585	20.9
109.06525	7.6
109.10128	8.9
115.05444	3.1
117.06995	16.1
119.04935	1.5
119.08572	54.4
120.08825	2.9
121.06491	4.0
121.10114	17.9
122.10468	2.0
123.08047	18.5
123.11637	2.5
125.05932	3.3
128.06210	6.8
129.06978	10.9
130.07823	8.4
130.08629	1.9
131.08549	32.0
132.09360	4.3
133.06447	2.2
133.08592	7.0
133.10114	24.3
134.10397	2.6
135.08034	11.6
135.11681	4.9
137.05911	2.3
137.09598	7.2
137.31819	1.5
139.07588	2.2
141.07008	4.8
142.07738	10.2
143.08546	29.0
144.09331	9.2
145.06468	2.7
145.10104	57.8
146.10519	3.5
147.08017	16.6
147.11673	10.5
149.09601	6.5
151.07555	9.1
151.11131	2.8
155.08578	8.1
156.09373	10.5
157.10118	37.4
157.64166	1.7
158.10896	11.9
159.08015	3.0
159.11670	25.3
160.08661	1.8
160.12177	2.3
161.09622	5.4
161.13287	4.8
163.11163	8.8
165.07007	3.0
165.09100	25.2
166.09442	2.0
167.08495	2.3
169.10155	10.0
170.10869	6.2
171.11667	18.7
172.12430	5.7
173.09596	3.2
173.13220	10.0
174.14040	2.9
175.11209	8.9
175.14838	4.5
177.09094	2.4
177.11263	3.3
177.12703	2.1
179.08534	3.1
180.09288	3.4
180.11395	2.1
181.10065	7.6
181.12233	6.5
182.10873	3.6
183.11646	11.9
184.12296	2.3
185.09708	2.2
185.13239	10.9
186.13766	2.8
187.11098	3.6
187.14795	3.3
189.12756	5.6
190.13501	5.4
191.10675	2.9
191.14281	4.4
193.10089	3.1
193.12216	8.2
194.10849	4.6
195.11661	7.3
196.12363	3.9
197.09642	3.9
197.13239	7.4
199.11182	2.7
199.14803	3.1
201.12735	4.2
203.14244	13.8
207.11610	5.2
207.13751	7.9
208.12553	3.7
208.14561	6.5
209.13242	10.0
209.15215	2.7
210.13814	1.9
211.11160	3.2
211.14835	5.8
213.12708	3.0
213.16400	3.0
219.13916	3.1
220.12483	3.3
221.13240	4.4
221.15332	50.4
222.13782	1.9
222.15759	4.1
223.11113	2.2
223.14777	7.5
225.12679	2.8
225.16447	3.3
227.14296	2.3
233.13217	3.0
234.16002	3.8
235.14803	4.5
237.12668	3.5
237.16438	2.7
238.17097	3.2
239.14378	3.3
241.15839	2.0
245.15349	2.4
247.14679	2.5
247.16940	7.7
253.15926	3.0
259.17035	5.2
260.17709	3.3
266.20258	4.8
271.16815	2.9
274.19211	13.6
281.18857	2.0
283.26254	2.7
284.21268	1.8
286.19177	4.9
287.20062	8.5
289.19537	1.9
299.19965	7.1
300.20822	9.4
300.28854	2.0
310.19238	1.7
311.29330	4.9
312.20792	2.0
313.21652	4.4
319.20309	2.1
325.21753	9.3
337.21484	4.9
352.23914	57.8
353.24527	7.5
365.24612	13.3
366.25336	8.7
371.22568	3.9
404.30582	3.5
412.30023	2.4
438.31335	5.8
446.31546	5.4
447.32391	2.1
491.35358	10.1
492.35400	13.4
504.35928	100.0
505.36075	6.9
531.40552	2.2
566.40765	2.5
584.41681	31.5
584.55713	13.9
585.43134	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	583.4136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.2
53.57376	1.7
55.05497	11.3
55.89248	1.5
57.07059	7.4
59.04982	3.7
62.45321	1.6
65.03921	3.1
67.05499	15.7
69.03419	5.0
69.06731	1.9
69.07047	11.6
70.66566	1.4
70.98289	1.6
71.04956	1.6
71.55103	2.0
71.55520	1.8
72.15216	1.3
74.43462	1.7
79.05480	18.9
81.03403	2.0
81.07046	23.5
83.04980	4.8
83.08597	6.6
85.06522	4.5
88.83048	1.5
91.05454	22.5
93.07034	29.5
95.04954	7.4
95.08582	23.0
97.06510	8.3
103.05444	3.2
105.06298	2.2
105.07007	38.7
107.04984	1.5
107.08573	33.4
108.05714	1.8
109.06501	4.4
109.10134	12.4
111.08072	2.8
113.09580	2.6
117.06979	9.2
119.08558	51.0
121.06481	4.7
121.10126	27.5
123.08038	10.1
123.11703	5.8
125.05952	2.2
128.06207	7.1
129.06972	9.7
130.07767	2.9
131.08545	26.5
133.10097	30.6
135.08034	6.1
135.11644	12.9
137.09593	6.6
139.11145	5.4
141.06956	4.7
142.07741	12.2
143.08533	19.6
144.09300	5.2
145.10092	35.4
147.08051	7.2
147.11659	11.9
149.09595	6.0
149.13239	2.6
151.07506	4.8
151.11183	1.9
153.06996	2.2
154.07805	1.7
155.08498	10.6
155.10582	3.9
156.09270	9.5
157.10092	27.7
158.10851	4.1
159.08002	2.6
159.11673	20.6
161.09656	2.7
161.13263	5.9
163.11189	5.0
163.14771	1.8
165.07010	2.8
165.09085	13.5
167.08531	5.2
167.10651	5.3
168.09370	4.7
169.10104	16.7
170.10844	4.7
171.11621	19.4
173.09636	2.5
173.13203	13.1
175.11192	5.0
175.14833	7.0
178.07782	2.3
179.08553	7.1
180.09343	3.7
181.10060	8.9
181.12251	4.9
182.10950	5.3
183.11670	17.3
184.12434	2.3
185.09567	1.9
185.13220	13.2
187.14830	6.9
189.12778	5.1
191.14297	4.3
192.09409	3.2
193.10135	8.7
194.10893	4.4
195.11693	14.5
195.13655	3.9
196.12440	4.6
197.13210	17.3
199.14690	8.7
201.12770	2.2
201.16393	4.3
203.14276	5.8
206.10898	3.9
207.11699	9.4
207.13828	6.3
208.12460	3.2
209.13277	15.1
209.15154	2.6
211.14803	9.1
213.12672	2.9
213.16382	3.7
217.15894	3.4
219.11641	4.4
219.17392	2.3
220.12468	3.7
221.13254	11.6
221.15388	29.9
222.13937	2.9
223.14812	6.6
224.15617	1.8
225.14825	6.7
225.16675	2.1
231.11530	2.6
232.12335	1.9
233.13249	4.7
233.15393	9.3
234.14119	3.1
235.14789	7.5
237.16394	4.8
239.17955	3.4
246.14059	3.2
247.14738	4.5
247.16885	3.7
249.16391	4.4
251.17960	3.6
255.17380	2.0
257.19034	3.4
259.14709	2.4
261.16394	5.1
263.17911	3.7
265.19379	3.4
273.16287	2.3
275.17795	3.7
277.19748	4.3
282.27774	2.3
283.20480	5.1
295.20660	2.7
297.22159	3.4
305.22742	1.7
331.24146	2.8
343.24344	3.7
363.26901	2.5
375.26700	1.9
380.69022	2.0
399.29248	2.3
415.30051	3.9
425.30453	4.6
477.33499	2.8
479.74609	1.9
491.35144	54.5
538.33191	1.9
547.39331	3.3
565.40302	13.5
583.41333	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.6
54.10959	1.0
55.01852	1.2
55.05503	6.9
57.07061	8.1
59.04984	4.3
67.05491	11.1
69.03422	7.5
69.07061	6.1
71.00182	1.9
71.00508	1.6
71.08614	2.2
79.05478	11.0
81.07038	18.3
83.04966	1.7
83.08605	3.5
85.06497	1.5
85.10189	1.8
91.05458	20.9
93.07027	26.5
95.04953	7.1
95.08591	19.2
97.06512	4.1
105.07008	32.4
105.07675	2.3
107.04958	1.3
107.08569	20.5
109.06510	4.9
109.10134	11.4
110.93137	1.0
111.08077	3.0
115.05446	1.2
117.06987	9.3
119.08558	36.8
121.06499	5.2
121.10127	18.3
122.07249	2.4
123.08052	13.1
123.11692	2.9
125.05972	1.4
128.06201	4.0
129.06961	5.5
130.07782	2.8
131.08542	14.5
133.10097	21.8
135.08037	7.4
135.11661	9.4
137.09583	18.7
141.06964	2.6
142.07764	7.2
143.08524	9.7
144.09351	2.8
145.10092	28.1
147.08011	21.3
147.11659	6.7
149.09590	3.1
149.13257	1.4
151.07504	8.5
154.07672	1.3
155.08572	5.8
156.09344	5.3
157.10095	17.4
158.10770	1.3
159.11635	13.1
161.09592	4.2
161.13167	6.9
163.11162	4.5
165.09074	45.6
167.08556	3.0
168.09334	1.9
169.10098	9.4
170.10875	2.3
171.11665	11.6
172.12357	1.6
173.09601	1.7
173.13205	7.1
175.11215	1.9
175.14774	7.9
179.08606	2.1
180.09317	1.3
181.10086	3.5
181.12190	3.9
182.10851	2.9
183.11650	8.6
184.92441	1.0
185.09721	2.1
185.13216	6.8
187.11101	1.4
187.14787	6.0
189.12733	2.9
191.14336	1.6
193.10114	3.1
194.10931	4.0
195.11639	7.2
196.12433	1.5
197.11647	1.3
197.13272	6.4
199.11102	1.4
199.14844	3.3
201.12711	1.9
201.16345	2.0
203.14287	16.5
206.10893	1.9
206.90178	1.2
207.11653	4.0
207.13812	4.5
208.12433	1.5
209.13226	7.7
210.13998	2.2
211.14822	4.6
213.12634	1.9
213.16368	1.5
215.14435	1.7
219.11687	1.2
220.12444	1.7
221.13367	4.7
221.15312	100.0
222.15796	1.2
223.11276	1.3
223.14795	4.5
225.16315	2.1
227.14105	1.4
233.13060	1.6
235.14798	3.2
237.16341	4.4
247.16920	2.0
249.16237	2.2
251.17952	2.1
261.16150	1.2
265.19547	3.3
277.19324	1.4
281.19052	1.1
286.19409	1.5
297.22223	1.7
352.23862	2.4
365.24542	1.8
403.30136	1.5
473.33939	6.3
491.35059	7.8
503.34946	5.5
548.40137	1.5
565.40076	7.3
583.41370	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	583.4136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.1
55.05489	10.1
57.07050	6.2
59.04991	2.6
67.05492	17.4
69.03410	6.4
69.07050	9.8
71.04974	2.6
71.52689	2.0
79.05488	16.3
81.07032	26.1
82.07372	2.0
83.04985	5.7
83.08588	13.3
85.02879	3.0
85.06535	2.9
91.05470	23.7
93.07028	35.1
95.04972	6.9
95.08587	26.7
97.06516	9.2
105.07005	38.8
106.71292	2.6
107.04941	2.5
107.08579	30.4
109.06505	4.8
109.10136	18.3
111.08051	3.1
113.09644	2.8
117.06995	11.9
119.08560	48.2
121.06532	3.9
121.10115	39.7
123.08073	10.9
123.11666	5.9
125.09562	3.1
128.06198	7.0
129.06981	9.0
131.08539	18.4
133.10118	31.6
135.08000	5.4
135.11624	13.2
137.09567	5.3
139.11156	7.7
141.06961	3.0
142.07735	14.4
143.08540	28.1
145.10103	33.3
147.08015	5.5
147.11606	12.8
149.09584	4.1
149.13185	2.7
151.07570	5.9
153.06932	3.1
155.08554	8.7
155.10640	5.6
156.09358	11.6
157.10101	33.4
158.10858	3.9
159.11652	17.9
161.09651	3.5
161.13257	6.3
163.11137	4.0
165.06967	3.8
165.09103	12.4
167.08606	5.8
167.10684	11.5
168.09286	4.4
169.10088	18.5
170.10898	7.2
171.11641	20.4
173.13206	11.8
175.11137	3.0
175.14816	4.2
179.08548	6.7
179.14371	3.1
180.09375	3.0
181.10112	13.1
181.12202	9.4
182.10872	7.0
183.11646	16.4
185.13150	10.4
187.11194	3.2
187.14865	7.1
189.12755	5.5
191.14334	5.2
193.10153	9.5
194.10863	5.8
195.11684	12.5
195.13548	3.4
196.12468	4.0
197.13228	19.0
199.14830	9.5
201.16475	5.4
203.14253	4.0
205.80463	2.2
207.11674	10.2
207.13651	2.5
208.12529	4.8
209.13223	17.8
209.15027	2.9
211.14801	10.4
213.16449	4.1
215.14359	2.7
215.81093	2.4
217.15964	6.5
219.11659	5.0
220.12440	4.6
221.13222	10.3
221.15373	29.7
223.14839	7.4
225.12852	2.7
225.14713	5.3
225.16565	4.4
225.91475	2.1
230.10933	2.6
231.11646	3.0
231.17479	3.1
233.13278	6.4
233.15398	13.9
235.14795	9.2
237.16385	6.3
239.17990	3.8
245.13239	6.1
246.14017	2.8
247.14893	5.9
249.16440	7.2
251.17920	4.9
259.14648	3.4
261.16299	5.3
263.17917	4.8
265.19556	3.3
269.18869	2.5
273.16284	4.3
275.17703	5.3
277.19525	7.5
279.21140	2.6
281.18997	3.0
283.20581	8.2
289.19470	4.4
291.21066	2.5
293.18997	2.4
295.20709	4.3
297.21970	5.6
307.20627	3.4
331.24265	3.0
343.24139	2.6
345.25726	3.4
349.25308	6.1
361.24832	3.1
363.26788	4.9
365.24698	3.9
374.50964	2.3
397.28979	3.9
415.29816	6.8
435.59277	2.4
483.36026	3.1
503.34836	4.1
547.39050	3.9
565.40216	29.3
583.41333	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4136
Annotation	Diadinochrome
Peak:m/z	Relative Intensity
52.43159	0.6
53.03943	1.0
55.01852	0.8
55.05496	4.1
57.07061	5.9
59.04988	2.6
64.93569	0.7
67.05493	9.8
69.03079	0.7
69.03403	3.6
69.07058	4.2
71.08625	1.6
72.50434	0.7
79.05479	6.6
81.03410	0.8
81.07047	12.0
83.04961	1.6
83.08607	2.5
84.71638	0.6
85.06546	1.5
85.10179	1.4
91.05470	10.1
93.07030	18.2
95.04955	3.7
95.08591	18.2
95.85181	0.6
97.06516	2.4
99.17898	0.8
103.05412	0.8
105.07014	23.0
106.07276	0.6
107.04924	1.3
107.08585	11.6
109.05848	0.7
109.06519	2.8
109.10136	5.9
111.08064	1.7
113.36003	0.6
115.05389	1.2
117.07007	3.9
119.08566	21.5
121.06471	2.4
121.10123	15.6
122.07360	0.6
123.08051	11.7
123.11683	1.7
128.06200	2.7
129.06985	4.1
130.07797	1.5
131.08539	9.0
133.06494	1.1
133.10112	11.6
135.08008	5.8
135.11671	4.4
137.05992	0.7
137.09595	6.3
139.11160	0.8
141.06996	2.0
142.07738	5.2
143.08553	10.7
144.09312	2.0
145.10098	14.9
145.11148	1.3
147.08023	11.2
147.11652	4.9
149.09596	1.6
149.13152	0.8
151.07521	14.4
153.06995	0.7
154.07745	1.0
155.08524	3.6
156.09314	5.2
157.10104	16.6
158.10794	1.8
159.08031	1.9
159.11671	9.6
160.12291	0.8
161.09601	2.4
161.13205	3.9
163.11171	3.3
165.06969	1.6
165.09090	22.7
166.07808	1.0
167.08571	2.8
168.09363	1.8
169.10077	6.4
170.10886	3.7
171.11659	11.1
173.09599	1.1
173.13216	6.4
175.11147	1.1
175.14757	3.3
177.09155	0.9
177.12843	1.2
178.07625	0.6
179.08540	4.2
180.09285	1.4
181.10124	5.2
181.12184	2.4
182.10854	3.2
183.11661	8.3
184.12453	1.1
185.13245	8.6
186.13982	0.8
187.11168	1.6
187.14833	2.8
189.12669	4.0
191.14297	1.5
192.09254	1.1
193.10120	4.1
194.10950	2.4
195.11720	5.8
195.13548	1.1
196.12445	1.2
197.13203	7.9
198.13806	0.7
199.11185	0.9
199.14786	3.1
201.12755	1.1
201.16312	1.2
203.14258	10.5
205.10132	1.6
206.10915	1.7
207.11662	4.1
207.13824	4.2
208.12444	1.9
209.13258	7.7
209.15146	1.3
210.13962	1.5
211.11189	1.0
211.14766	5.2
212.15532	0.6
213.12767	0.9
213.16460	1.0
215.14357	1.2
217.10182	0.6
217.15854	0.9
219.11739	1.5
219.17523	1.0
220.12503	1.8
221.13246	5.8
221.15302	43.6
222.13863	0.7
223.14767	4.3
224.15503	1.0
225.16383	1.7
227.14410	1.0
228.20474	0.8
231.11722	1.2
231.17419	1.5
232.12558	1.1
233.13254	3.0
233.15323	1.1
234.14020	0.9
235.14828	5.0
236.15555	1.3
237.16350	2.6
238.16911	0.9
239.14464	1.0
239.17975	1.9
243.17305	0.9
245.13240	2.0
246.14104	1.1
247.14813	2.3
247.17020	1.5
248.15527	0.7
249.16360	2.5
251.18010	1.8
253.19481	1.5
257.18991	2.1
259.14798	1.7
260.15518	1.8
261.16388	1.3
263.17902	1.7
265.19479	2.2
269.18967	1.2
271.17459	0.7
271.20563	1.8
273.16287	1.0
275.17780	1.1
277.19543	1.8
279.17679	1.0
279.21121	1.5
281.19009	1.9
283.20508	3.0
286.19308	1.0
287.19968	1.9
289.19385	1.4
291.21094	0.8
295.20609	2.3
297.22043	3.5
299.20203	1.0
305.22659	0.7
309.22067	0.8
315.20822	0.8
323.87000	0.7
333.22174	0.8
347.23682	0.8
349.25101	1.6
352.23801	1.0
357.25671	1.6
365.24911	2.1
375.26730	3.8
385.28818	2.0
403.29837	6.3
437.30283	0.7
473.34262	1.3
491.34851	1.5
503.34933	4.0
509.34006	1.4
547.39270	2.6
565.40289	23.0
566.40729	0.8
583.41351	100.0
584.41974	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	583.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29235	1.5
53.03927	4.7
55.05503	17.3
57.07064	40.5
59.04997	8.2
65.03933	3.8
67.05493	23.8
67.07220	1.8
68.47492	1.5
69.03425	8.3
69.07059	19.5
70.23865	1.6
70.58334	2.9
70.58688	5.0
71.04997	3.2
71.08622	23.4
75.79742	1.4
77.03918	2.5
79.05481	26.3
81.07042	35.6
83.04955	8.4
83.08605	12.8
85.06533	4.7
85.10182	16.8
87.04469	5.8
89.06017	35.8
91.05471	43.8
93.07032	54.5
93.07629	2.6
95.04951	11.8
95.08588	32.2
95.09158	2.1
97.06518	7.5
97.10194	3.1
103.05444	3.0
103.07526	1.8
104.06212	1.8
104.61884	1.6
105.07013	72.4
107.08577	48.0
109.06490	10.3
109.10132	25.0
111.08086	3.2
111.11728	3.5
113.09633	2.1
113.41542	1.5
115.05464	2.7
116.06200	3.2
117.07018	14.6
119.08561	86.5
121.06515	4.5
121.10132	64.0
123.08053	13.7
123.11695	9.3
125.09643	4.1
128.06224	11.9
129.06975	19.2
130.07797	5.5
131.08539	35.0
133.08598	21.4
133.10110	47.2
135.08005	9.6
135.11658	18.6
137.09592	13.8
139.11176	3.5
141.06952	8.7
142.07751	25.3
143.08536	44.3
144.09328	7.6
145.06500	2.3
145.10103	60.3
147.08020	10.4
147.11659	17.5
149.09607	7.3
149.13284	4.7
151.07529	10.3
151.11124	1.9
153.07004	4.9
154.07733	2.4
155.08542	18.8
155.10611	3.4
155.17953	1.8
156.09314	19.6
157.10109	55.8
158.10822	8.1
159.08046	6.6
159.11674	30.5
161.08331	1.9
161.09543	9.0
161.13255	7.3
163.11194	7.6
165.06996	7.3
165.09111	12.0
166.07872	2.3
167.08607	10.7
167.10648	42.4
168.09335	8.6
169.10098	26.2
170.10896	8.5
171.08012	1.9
171.11676	30.4
172.12448	2.9
173.09665	3.2
173.13248	25.9
175.11227	4.9
175.14786	12.9
177.11224	7.2
179.08508	15.5
180.09325	6.2
181.10085	19.4
181.12247	6.3
182.10948	6.0
183.11687	27.7
184.12476	8.2
185.09656	2.7
185.13210	16.7
186.14059	2.3
187.11192	2.4
187.14754	12.2
189.12726	7.0
189.16403	2.6
191.14294	10.1
192.09323	6.3
193.10078	13.9
194.10851	11.5
195.11661	23.0
196.12411	9.3
197.13225	23.2
198.14011	3.8
199.11125	3.2
199.14778	23.8
201.12819	3.2
201.16351	2.9
203.14241	8.7
205.10194	3.3
205.15857	2.5
206.10936	6.8
207.11693	17.4
207.13760	4.7
208.12477	5.7
209.13252	27.5
209.15157	1.8
210.13989	3.1
211.11214	1.9
211.14764	14.6
213.12781	4.0
213.16393	3.7
215.14342	4.8
217.10150	3.4
217.15816	23.2
218.10933	3.8
219.11662	9.5
219.17442	2.9
220.12529	5.1
221.13272	15.0
221.15404	30.0
222.14011	3.5
223.14795	13.0
224.15578	2.9
225.12737	2.0
225.16397	6.2
227.14281	4.2
227.17798	2.0
229.10130	1.9
229.15764	1.8
231.11681	6.5
231.17407	2.8
232.12402	3.5
233.08411	1.8
233.13228	10.2
233.15401	15.0
234.14058	4.1
235.14694	11.7
236.15523	2.5
237.12682	2.3
237.16316	8.1
239.14398	2.7
239.17950	5.3
241.15804	2.5
243.11620	2.1
245.13303	6.8
246.14053	3.4
247.14806	10.4
247.16971	2.6
248.15471	2.7
249.16402	9.9
251.17860	8.1
253.19467	2.0
257.13242	4.9
257.18842	9.5
258.14139	3.7
259.14905	7.7
260.15588	3.8
261.16229	9.7
263.17981	6.3
265.19547	5.9
265.25186	2.3
269.18964	6.0
271.20502	2.2
272.15524	2.1
273.16333	7.2
275.17981	11.1
277.19470	4.3
281.19028	3.8
283.20511	14.6
285.18625	4.7
288.18460	2.3
289.19540	3.9
291.21060	3.8
293.19107	3.2
295.20593	4.3
297.21878	2.1
299.20178	2.2
301.19366	3.5
307.20831	2.1
309.22137	3.5
315.21030	2.6
331.24255	5.7
335.23770	3.3
349.25253	8.1
361.25235	3.6
364.34909	1.8
371.23007	2.8
375.26816	4.4
379.26718	2.1
387.26663	1.8
403.30356	3.4
491.34766	4.9
547.39429	3.9
565.40198	23.2
583.41364	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50731	0.9
53.03926	2.9
55.01859	1.0
55.05299	0.8
55.05504	8.8
57.07065	6.1
59.04975	2.8
65.03928	2.1
67.05493	13.4
68.79724	0.9
69.03407	4.5
69.07056	12.5
69.31153	1.8
69.31558	6.9
71.04967	1.7
77.03893	0.9
78.84283	0.8
79.05479	15.5
80.12431	0.7
81.07041	18.4
83.04961	5.8
83.08592	5.2
85.06527	4.3
91.05457	21.4
93.07021	33.1
95.04952	7.2
95.08591	20.8
95.85532	0.8
96.36745	0.9
97.06499	4.4
97.10152	1.6
103.05479	1.6
105.07011	40.2
107.08572	30.0
107.09302	1.9
107.92502	1.0
109.06482	6.1
109.10139	12.8
111.08070	2.3
113.09641	1.7
115.05421	3.0
116.06274	1.1
117.06992	8.3
119.08562	46.4
121.06491	2.6
121.10124	35.9
123.08047	11.0
123.11666	4.8
125.05941	0.9
125.09618	2.7
128.06190	6.1
129.07010	7.6
130.07753	3.5
131.08546	19.4
133.06442	2.7
133.10103	21.9
135.08011	5.6
135.11664	10.2
137.09581	6.1
139.11163	3.0
141.06946	4.1
142.07761	10.4
143.08537	19.4
144.09322	3.9
145.10092	31.4
147.07999	6.4
147.11670	9.6
149.09584	6.3
149.13260	1.8
151.07507	12.0
151.11128	1.0
153.07001	2.1
154.07716	2.3
155.08510	9.8
156.09322	9.0
157.10098	32.4
158.10872	4.9
159.08040	3.3
159.11653	17.3
161.09644	4.6
161.13210	5.3
163.11147	3.9
165.06996	3.1
165.09068	13.0
166.07680	1.3
167.08557	7.0
167.10637	22.2
168.09314	4.6
169.10092	15.8
170.10880	4.8
171.11662	19.0
172.12112	1.4
173.09644	2.9
173.13229	14.9
175.11136	2.5
175.14748	5.5
179.08470	7.0
180.09303	3.0
181.10110	8.8
181.12221	4.0
182.10861	6.2
183.11659	17.0
184.12465	3.1
185.13211	10.7
187.11064	1.1
187.14743	6.0
189.12695	5.8
191.14284	4.0
192.09338	2.9
193.10126	8.2
194.10889	6.5
195.11655	16.3
196.12447	3.9
197.13225	14.2
198.13809	1.9
199.11096	1.8
199.14755	9.7
201.12749	1.9
201.16353	2.3
203.14307	5.7
205.10107	2.8
205.16064	1.2
206.10898	4.1
207.11664	9.2
207.13782	4.9
208.12553	4.6
208.14243	0.9
209.13211	17.8
209.15111	1.4
210.13953	2.1
211.11174	1.1
211.14748	9.4
213.12714	1.2
213.16374	3.2
215.14371	2.6
217.10059	2.1
217.15858	4.4
218.10843	2.4
219.11697	5.2
220.12410	3.4
221.13235	9.7
221.15367	20.3
222.13986	2.9
223.14723	10.9
224.15431	1.8
225.12724	1.7
225.16322	5.0
227.14299	2.9
227.17934	1.5
229.15860	2.5
231.11671	2.8
231.17398	1.1
232.12401	1.8
233.13217	5.7
233.15369	7.5
234.14049	3.1
235.14758	8.4
236.15488	2.3
237.16347	6.4
239.17909	2.7
241.15836	1.2
242.10835	1.0
244.12445	1.5
245.13269	4.1
246.14027	3.7
247.14784	4.1
248.15443	1.6
249.16409	6.3
250.17136	1.6
251.17926	4.9
253.19421	1.6
257.13135	2.7
257.19025	3.5
258.14117	2.4
259.14819	3.8
260.15637	2.5
261.13922	1.1
261.16235	6.8
262.17316	1.0
263.17987	4.6
265.19440	4.8
269.18945	5.0
271.14761	1.6
271.20590	2.1
272.15555	1.9
273.16263	3.4
274.17227	1.9
275.17776	6.4
277.16141	1.3
277.19458	3.2
279.17474	1.1
279.21045	2.6
281.19022	2.9
283.20511	9.5
285.16196	1.5
287.17691	1.6
289.19424	2.6
291.21313	1.7
293.19205	1.5
295.20624	3.1
297.22064	1.7
301.19135	1.2
303.20880	1.9
305.18951	1.7
307.20822	1.2
309.22043	2.0
313.19589	1.4
315.20859	1.4
317.22498	1.3
329.22568	1.1
331.24115	2.6
333.22256	1.4
335.23886	2.5
341.22443	1.3
347.23639	2.1
349.25198	4.8
357.25644	1.8
361.25397	2.2
365.24628	2.1
375.26773	3.9
385.28644	1.4
403.29910	5.4
491.34628	1.9
499.50323	1.0
503.34879	1.3
509.33954	1.8
547.39429	4.2
565.40210	25.0
583.41333	100.0
584.41882	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	583.4135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00831	1.0
51.02370	1.4
53.03931	3.1
55.05502	12.5
57.07067	10.6
59.04972	3.4
64.24651	1.0
65.03933	3.6
67.05491	19.3
69.03424	6.9
69.07053	15.5
70.63432	2.8
70.63770	1.0
71.04963	1.5
71.08604	1.1
75.89440	1.0
79.05481	20.9
79.05915	2.2
81.07040	30.7
83.04984	5.8
83.08596	6.6
85.06542	5.4
87.04425	1.2
91.05466	37.1
93.07026	46.6
95.04927	8.5
95.08592	30.2
97.06499	4.3
97.10150	1.7
102.52689	1.3
103.05447	2.8
105.07012	59.5
107.08572	39.7
109.06507	8.0
109.10139	17.3
111.08067	2.4
115.05425	3.2
116.06248	1.9
117.07001	14.5
119.04899	1.4
119.08557	68.8
121.06470	5.6
121.10122	38.3
121.11022	1.3
123.08045	15.8
123.11671	3.8
124.95462	1.2
125.05990	4.2
125.09625	3.4
128.06204	9.4
129.06969	13.0
130.07785	6.1
131.08543	28.2
133.06483	3.0
133.10100	34.5
135.08064	7.4
135.11668	12.5
137.09587	10.8
137.13193	1.2
139.11168	1.7
141.06982	6.2
142.07755	19.2
143.08542	31.1
144.09346	5.7
145.10094	41.6
147.08020	15.1
147.11679	14.5
149.09561	5.7
149.13254	2.7
151.07501	14.6
151.11124	1.2
152.06039	1.3
153.06981	4.2
154.07761	2.4
155.08511	16.1
155.92670	1.1
156.09309	17.1
157.10098	48.4
158.10919	6.9
159.08054	4.6
159.11673	22.9
161.09592	6.3
161.13228	8.2
163.11180	6.3
163.14853	1.6
165.06969	3.4
165.07693	1.8
165.09070	30.0
166.07788	3.3
167.08537	10.1
167.10646	9.3
168.09352	6.0
169.10086	25.7
170.10918	6.8
171.11656	29.8
172.12367	1.2
173.09656	3.5
173.13222	18.9
175.11194	3.5
175.14807	8.7
177.09021	1.6
177.12732	1.6
178.07788	2.7
179.08525	14.1
180.09245	5.4
181.10086	16.1
181.12166	5.7
182.10875	10.1
183.11650	23.0
184.12393	5.5
185.13208	16.6
187.11188	1.9
187.14761	6.8
189.12770	5.7
191.14288	7.6
192.09288	4.2
193.10094	13.9
194.10883	11.1
195.11674	24.1
196.12491	4.5
197.09641	1.6
197.13222	18.8
198.14017	1.6
199.11174	2.5
199.14783	16.0
201.12729	1.8
201.16386	3.9
203.14297	12.6
204.09348	1.3
205.10208	4.7
205.15747	1.2
206.10847	6.9
207.11678	16.5
207.13792	5.0
208.12450	7.4
208.14236	1.3
209.13226	24.7
209.14920	1.2
210.14046	2.7
211.11221	2.4
211.14735	9.9
213.12749	3.2
213.16373	3.5
215.14334	2.4
217.10139	3.5
217.15807	9.4
218.10901	3.1
219.11650	8.0
219.17413	1.7
220.12450	5.4
221.13225	15.6
221.15387	55.9
222.14055	3.1
223.14801	13.8
224.15572	1.9
225.12784	2.5
225.16368	4.0
227.14272	3.0
229.15808	1.9
230.10899	2.0
231.11691	5.7
231.13782	1.8
231.17436	3.0
232.12408	5.3
233.13205	8.1
233.15399	5.0
234.13948	3.0
235.14767	11.3
236.15599	2.4
237.12712	1.7
237.16304	7.4
239.17848	5.7
241.15834	1.7
243.11664	3.2
243.17532	2.4
244.12477	2.8
245.13223	8.2
246.14037	4.2
247.14685	8.7
247.16739	1.3
248.15610	3.2
249.16248	8.5
250.17122	3.5
251.17937	4.5
253.16022	1.4
253.19476	1.9
255.17320	1.8
257.13269	3.0
257.18915	8.2
259.14703	5.7
260.15646	3.4
261.16312	6.9
262.17108	2.0
263.17899	6.9
265.19476	8.7
269.19043	3.6
270.13876	1.4
271.14688	2.3
271.20560	2.1
272.15308	2.3
273.16327	4.1
274.17163	1.9
275.17786	11.5
275.20172	1.2
276.18774	1.5
277.19498	4.9
279.21011	2.1
281.19040	2.4
283.14804	1.6
283.20493	13.3
286.16919	1.8
287.20102	4.5
288.18768	1.4
289.19504	3.7
290.20071	1.3
291.17267	1.3
293.18900	2.4
295.20544	4.1
297.22021	5.4
300.20889	1.7
301.19296	2.3
303.20932	1.7
307.20609	1.5
311.17841	1.3
314.20236	2.0
315.21118	2.1
317.22800	1.5
319.20786	1.9
329.22662	1.5
331.24045	5.9
333.22052	2.2
334.22913	1.5
335.23749	1.8
343.24011	2.3
347.23657	1.9
349.25168	6.7
352.23862	2.2
355.23880	1.4
357.25739	2.0
359.23953	1.1
361.25223	3.5
364.23807	1.1
365.24649	2.4
375.26785	6.8
403.29672	5.7
491.35184	6.2
503.35107	4.7
509.34503	1.3
547.39453	1.6
565.40253	20.0
583.41327	100.0
584.42230	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46996	0.5
67.05496	0.8
70.48260	0.6
71.52103	0.9
81.07043	0.9
91.05450	0.9
91.62433	0.6
93.07050	0.7
95.04917	0.7
104.07108	0.7
119.08581	1.1
130.08684	0.6
139.25209	0.6
145.10080	0.8
166.10875	0.6
171.10475	0.9
197.10844	0.6
204.10208	1.2
213.10182	1.1
216.10237	1.8
223.08646	0.8
223.12378	1.1
225.10265	0.6
227.11676	0.7
230.11781	4.0
235.12393	1.7
236.11800	0.9
242.10463	1.6
245.10487	1.5
246.11440	1.2
250.09592	0.7
251.11755	3.8
252.15105	0.7
258.11264	1.6
263.11685	0.9
264.11453	2.1
265.12149	2.0
276.12344	1.2
278.12939	1.1
280.14423	7.2
283.10587	0.6
284.11200	0.8
301.11893	1.9
304.11737	13.0
306.15955	3.4
307.16748	1.4
314.12909	0.7
315.14047	0.7
319.12762	2.3
327.13364	0.9
328.14474	1.9
330.15945	1.0
340.14328	0.7
341.15475	0.9
342.16028	2.2
343.12903	2.7
343.16672	1.5
344.17429	0.9
356.17456	4.2
357.18332	0.7
361.64810	0.6
366.16537	0.7
372.13727	0.7
373.14343	0.7
374.14935	3.7
386.15161	1.1
387.15472	3.4
388.15884	0.6
389.17145	0.7
390.15439	0.7
402.18073	7.8
403.18613	1.2
407.18655	1.1
421.20654	0.9
432.17029	0.7
435.18100	1.1
436.19016	2.0
463.21194	0.9
481.22348	2.5
495.19998	0.9
506.20453	0.7
509.21933	2.0
510.21942	1.2
523.23529	1.2
524.22876	0.9
553.20703	1.2
565.24402	0.8
566.22803	1.3
568.22998	3.7
583.25372	100.0
584.25482	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	583.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.6
53.03931	1.4
53.35035	0.7
55.05499	10.1
57.07066	5.7
59.04991	1.7
60.76206	0.8
65.03934	2.5
67.05486	13.4
69.03410	5.4
69.07051	10.6
69.25566	8.4
71.08633	0.9
75.93786	0.7
77.03893	1.1
79.05479	15.7
80.06125	0.7
81.03414	1.1
81.07037	17.7
83.04977	3.5
83.08595	5.5
85.06537	4.0
91.05465	25.1
91.06022	1.8
93.07024	34.0
95.04947	6.6
95.08588	27.9
97.06512	2.9
97.10167	1.4
100.07635	0.7
100.11268	0.9
103.05436	2.0
105.07009	41.5
107.04913	0.8
107.08572	26.3
107.72419	0.9
109.06486	5.3
109.10139	11.8
109.60403	0.7
111.08080	1.7
115.05431	2.5
117.07004	8.6
119.08553	45.0
121.06499	3.2
121.10119	24.5
123.08036	12.6
123.11695	4.2
125.06003	2.1
125.09586	1.2
128.06197	6.2
129.06972	7.5
130.07747	5.0
131.08536	19.5
133.06451	1.7
133.10103	19.5
135.08015	6.6
135.08899	0.9
135.11655	9.2
137.09581	7.0
139.11221	1.3
141.06947	4.4
142.07750	13.7
142.08794	1.0
143.08530	23.3
144.09354	3.7
145.10092	26.1
147.08022	12.3
147.11624	8.1
149.09583	4.5
149.13264	2.2
151.07512	13.8
151.11108	0.9
151.22514	0.8
153.06972	1.7
153.09032	1.0
154.07777	1.5
155.08536	7.8
156.09326	11.0
157.10092	32.4
158.10844	4.2
159.08037	3.3
159.11658	14.8
161.09593	3.2
161.13197	4.8
162.10440	1.0
163.11136	5.4
163.14891	1.1
165.07025	4.0
165.09071	24.5
166.07790	2.3
167.08536	6.3
167.10640	5.0
168.09290	4.2
169.10086	17.1
170.10847	4.2
171.11664	20.0
172.12399	1.3
173.09677	2.4
173.13232	11.9
175.11148	2.2
175.14783	5.6
177.12820	1.1
178.07794	1.1
179.08537	7.6
180.09319	4.1
181.10074	8.4
181.12138	3.7
182.10901	5.2
183.11650	15.8
184.12399	3.2
185.09618	1.3
185.13217	10.5
187.11186	2.2
187.14772	4.5
189.12737	4.6
191.08572	0.9
191.14215	5.7
192.09320	3.4
193.10072	10.0
194.10884	6.9
195.11656	13.8
196.12450	3.9
196.22670	0.9
197.13231	15.6
198.13914	1.3
199.11147	2.3
199.14786	9.3
200.11900	0.8
201.12720	1.7
201.16373	0.9
203.14249	11.5
205.10136	2.2
206.10820	4.4
207.11681	11.6
207.13776	5.0
208.12407	4.7
209.13237	17.3
209.15112	1.7
210.14052	2.9
211.14774	7.1
212.15581	0.9
213.12657	1.0
213.16483	2.2
215.14214	1.1
217.10159	1.6
217.15849	5.7
218.10919	2.3
219.11679	4.2
219.17404	1.5
220.12505	3.7
221.13228	9.2
221.15266	46.8
222.13959	3.5
223.14818	9.0
224.15535	1.2
225.12781	1.9
225.16377	3.0
227.14349	1.6
229.16197	1.1
230.10857	1.2
231.11688	3.5
231.17444	3.0
232.12439	2.5
233.13242	7.0
233.15382	3.2
234.14008	2.5
235.14804	7.2
236.15372	1.8
237.16365	4.9
239.14224	2.1
239.17950	1.7
243.11676	2.2
245.13194	5.1
246.14006	2.5
247.14792	5.5
247.16762	1.2
248.15689	1.9
249.16277	6.4
250.17128	1.8
251.17924	3.6
253.15895	1.1
253.19478	2.3
255.11623	0.9
255.17409	1.1
257.13315	0.9
257.18958	4.0
258.13971	2.3
259.14777	3.9
260.15634	2.2
261.16351	5.2
262.16898	1.2
263.17892	4.7
265.19510	4.5
269.18997	2.6
271.14828	1.4
271.20544	1.5
272.15549	1.1
273.16425	2.1
274.17145	1.7
275.17776	5.9
277.19525	2.8
279.17627	0.9
279.21033	1.9
281.18860	1.5
283.20462	10.0
285.16248	1.1
286.19223	0.9
287.17383	1.3
287.20056	3.5
289.19540	2.5
290.20462	0.9
291.17365	1.0
291.21045	1.3
293.18933	1.2
295.20630	2.8
297.22043	3.7
299.17502	1.2
299.20422	1.2
303.21100	1.3
307.20551	1.8
309.22095	1.8
315.21005	2.0
317.22668	1.5
327.20898	1.1
329.22647	1.0
331.24210	2.9
333.22015	1.4
347.23798	1.9
349.25095	5.4
352.24008	1.3
357.25772	1.7
361.25323	1.3
365.24619	1.1
366.25220	1.0
373.25256	1.1
375.26712	5.5
385.28836	1.0
403.29825	6.9
491.35220	2.4
503.34921	2.4
509.34320	1.6
547.39215	3.4
565.40173	23.5
569.35028	0.9
583.41321	100.0
584.41614	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	582.4927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	3.5
57.07066	100.0
59.04992	85.5
65.30844	1.8
69.07053	3.3
71.08619	94.8
71.14610	1.9
71.27176	2.7
81.07011	2.1
83.08582	3.3
85.10168	100.0
97.59624	1.7
99.11733	9.6
101.09635	8.0
103.07540	2.4
117.09103	31.2
123.35081	1.6
124.41940	2.2
135.10094	1.7
141.16415	8.3
155.18024	1.8
159.94679	1.7
175.13310	8.4
199.20494	25.6
213.22188	3.3
233.17418	3.3
240.23126	3.0
257.24701	31.9
271.26230	4.3
315.28812	5.2
565.46405	3.1
580.32898	1.8
582.49396	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97710	0.4
59.74965	0.3
66.52010	0.4
67.05473	0.8
70.85799	1.2
79.05434	0.9
81.07023	0.8
81.90334	0.4
87.64035	0.4
91.05422	0.7
91.79098	0.4
93.06995	0.6
94.06510	0.4
95.04902	0.6
95.08572	1.1
97.06515	0.4
97.93533	0.4
98.97535	0.4
101.16550	0.4
105.06960	0.7
107.08546	0.7
109.06399	0.3
109.10104	0.5
119.08530	0.8
121.10037	0.4
128.98599	0.5
129.06902	0.5
131.04865	0.7
145.07593	0.9
145.10062	0.7
155.08447	0.4
157.10051	0.5
159.11623	0.7
169.08658	0.5
179.08711	0.5
182.09601	1.3
184.09680	0.4
189.00645	0.4
195.09077	1.8
196.09865	1.4
197.07089	0.6
197.10664	1.2
199.08676	0.6
199.12198	0.6
204.08868	0.8
208.09644	0.4
209.10687	13.5
210.09325	0.6
210.11429	5.8
211.08571	1.3
211.12254	1.1
213.10085	0.8
223.08641	0.6
223.12234	1.8
223.14185	0.4
224.09244	0.7
225.10196	3.5
225.13802	0.5
226.10930	1.2
227.11646	3.1
231.01715	0.5
237.10181	6.5
238.10980	7.1
239.11679	2.1
241.09624	0.4
241.13290	1.0
249.02794	0.7
251.11726	2.9
252.12633	1.0
253.09648	0.9
253.13290	2.2
255.11279	0.9
256.15421	0.7
262.11047	0.6
267.11279	0.6
269.10233	0.3
269.12793	7.2
271.10669	2.4
271.14111	0.7
279.11243	1.8
283.10574	0.5
284.11383	0.9
285.12207	1.3
297.12271	72.9
298.12753	1.5
299.13791	5.0
302.12753	0.7
316.14316	0.9
317.15167	0.5
328.14383	1.0
330.15842	1.7
342.16257	0.4
344.17410	0.7
363.05865	0.9
402.18018	0.4
420.15448	0.6
420.20490	0.7
421.16483	1.4
435.18112	1.8
436.18423	0.8
449.19431	1.1
450.20697	1.0
451.21158	1.8
463.21115	0.7
465.22900	2.0
495.19995	0.5
505.22464	0.5
509.21420	0.5
523.23309	0.9
565.24744	0.8
583.25348	100.0
584.25311	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	582.4216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	7.2
56.05014	0.8
67.05482	1.5
69.03414	1.2
69.07028	1.4
70.06573	6.1
71.04957	0.6
71.52852	0.8
71.53223	0.6
72.08134	1.5
79.05472	1.6
79.18914	0.5
81.03374	1.2
81.07033	1.7
82.06561	1.8
83.04954	1.3
83.08607	7.6
84.04482	1.0
84.08118	3.8
85.02884	1.6
85.06493	0.7
85.08518	0.5
86.09696	2.3
86.69753	0.5
88.03961	0.9
91.05440	1.3
93.07005	1.5
95.04939	1.3
95.08586	1.2
97.02869	1.2
97.06490	0.7
98.06094	0.7
98.09651	1.8
99.26510	0.6
100.07594	3.8
100.11233	48.0
105.07014	2.4
107.04939	1.3
107.08596	1.6
109.02851	0.6
109.06469	0.7
109.10132	0.8
110.06027	1.9
110.07152	1.6
111.04441	4.1
112.07581	1.3
112.11205	0.6
114.05524	0.5
116.07004	0.6
117.06985	0.7
117.13853	0.8
119.08572	1.2
120.08102	1.3
121.02855	0.6
121.06485	0.8
121.10135	1.5
123.04386	0.7
123.08081	0.5
126.09122	1.1
127.03897	1.0
127.08669	1.5
128.07033	3.5
129.05435	0.6
129.10207	1.0
130.08658	0.9
130.15901	1.4
131.04877	0.6
131.08551	0.9
131.17566	0.6
133.06499	1.1
133.10193	0.9
136.06226	0.7
136.07549	1.5
137.05943	1.5
139.07681	0.5
139.08594	2.9
140.07021	1.8
143.08511	0.8
145.02791	0.6
145.10109	0.9
147.04420	0.7
147.11612	0.6
149.09564	0.8
151.07478	0.6
152.07050	0.6
159.07823	0.5
159.09166	0.7
161.05913	1.4
161.09630	1.0
164.17422	0.5
167.07053	1.6
167.08435	0.7
177.05394	1.0
182.15364	17.4
192.13776	0.7
194.08888	0.6
201.12662	0.6
209.16437	19.4
210.14848	19.3
226.19072	7.7
227.17465	1.5
228.15875	1.7
235.10898	0.6
247.13266	0.8
287.05350	1.4
288.05811	2.0
303.05063	0.9
304.05289	1.2
326.27975	3.7
335.24402	1.5
336.22668	4.7
343.30615	0.7
343.52997	0.5
389.16791	0.9
435.33212	12.2
453.34271	100.0
454.34525	1.3
583.21143	0.9
601.99658	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
53.72007	0.4
55.01850	0.5
55.05494	4.3
57.03411	0.9
57.07055	2.0
59.04973	0.5
59.24963	0.4
60.04507	0.6
61.02899	0.5
65.03922	0.6
66.97050	0.4
67.05496	5.1
69.03405	3.2
69.07055	7.5
70.06567	1.8
71.04971	5.0
72.79295	0.5
73.02894	0.9
73.18070	0.4
74.99969	0.5
79.05477	2.8
81.03422	2.2
81.07040	31.1
83.04963	1.0
83.08591	3.3
84.04458	0.5
84.08117	1.0
85.02894	4.5
85.06512	1.5
86.09671	0.8
87.00808	1.8
91.05458	3.2
91.83216	0.5
93.07027	4.3
95.04962	1.1
95.08587	20.7
97.02857	1.5
97.06499	0.7
97.10151	6.2
99.04428	1.1
99.08096	0.6
105.01826	1.1
105.07010	4.1
107.04954	0.6
107.08576	4.9
108.08102	0.5
109.02868	1.1
109.06477	1.5
109.10132	7.9
111.08027	1.1
111.11677	0.4
113.09613	0.9
114.98490	0.5
117.06985	0.7
119.08556	2.6
120.08073	0.7
121.06499	1.0
121.10125	4.7
123.04465	0.8
123.08046	0.6
123.11689	15.6
124.07580	0.5
125.09599	2.0
127.03893	2.4
127.07539	0.4
127.11163	0.6
131.04910	0.7
131.08510	0.8
133.10097	1.8
135.08028	0.8
135.11653	3.3
137.05934	1.4
137.09543	1.0
137.13231	25.6
139.11163	1.0
141.09033	1.1
143.08543	0.6
143.10651	1.3
145.04962	0.8
145.06372	0.5
145.10086	1.1
147.04341	0.9
147.11646	4.2
149.09633	0.8
149.13251	1.8
153.12610	0.9
157.10112	0.8
159.08037	0.6
161.09550	0.5
163.07474	0.4
163.14778	0.9
165.09079	0.6
165.12708	2.2
165.16403	0.5
167.07016	4.0
168.07312	1.1
175.11183	0.7
175.14856	1.0
177.05431	0.9
177.16362	1.8
181.04871	0.7
183.13786	0.6
184.07307	1.2
189.09108	0.5
189.12767	0.6
189.16367	1.5
191.17918	0.7
193.15833	0.8
205.19498	0.5
207.17458	0.7
215.10573	0.5
225.18497	0.6
241.21597	0.8
245.22617	2.0
263.23639	4.6
279.06320	0.6
281.24698	100.0
282.25073	0.9
297.50540	0.5
299.25760	13.9
323.65216	0.5
383.15857	0.8
442.15359	1.5
511.29013	0.9
519.64154	0.5
582.23700	5.8
582.45160	0.6
583.24097	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
53.72007	0.4
55.01850	0.5
55.05494	4.3
57.03411	0.9
57.07055	2.0
59.04973	0.5
59.24963	0.4
60.04507	0.6
61.02899	0.5
65.03922	0.6
66.97050	0.4
67.05496	5.1
69.03405	3.2
69.07055	7.5
70.06567	1.8
71.04971	5.0
72.79295	0.5
73.02894	0.9
73.18070	0.4
74.99969	0.5
79.05477	2.8
81.03422	2.2
81.07040	31.1
83.04963	1.0
83.08591	3.3
84.04458	0.5
84.08117	1.0
85.02894	4.5
85.06512	1.5
86.09671	0.8
87.00808	1.8
91.05458	3.2
91.83216	0.5
93.07027	4.3
95.04962	1.1
95.08587	20.7
97.02857	1.5
97.06499	0.7
97.10151	6.2
99.04428	1.1
99.08096	0.6
105.01826	1.1
105.07010	4.1
107.04954	0.6
107.08576	4.9
108.08102	0.5
109.02868	1.1
109.06477	1.5
109.10132	7.9
111.08027	1.1
111.11677	0.4
113.09613	0.9
114.98490	0.5
117.06985	0.7
119.08556	2.6
120.08073	0.7
121.06499	1.0
121.10125	4.7
123.04465	0.8
123.08046	0.6
123.11689	15.6
124.07580	0.5
125.09599	2.0
127.03893	2.4
127.07539	0.4
127.11163	0.6
131.04910	0.7
131.08510	0.8
133.10097	1.8
135.08028	0.8
135.11653	3.3
137.05934	1.4
137.09543	1.0
137.13231	25.6
139.11163	1.0
141.09033	1.1
143.08543	0.6
143.10651	1.3
145.04962	0.8
145.06372	0.5
145.10086	1.1
147.04341	0.9
147.11646	4.2
149.09633	0.8
149.13251	1.8
153.12610	0.9
157.10112	0.8
159.08037	0.6
161.09550	0.5
163.07474	0.4
163.14778	0.9
165.09079	0.6
165.12708	2.2
165.16403	0.5
167.07016	4.0
168.07312	1.1
175.11183	0.7
175.14856	1.0
177.05431	0.9
177.16362	1.8
181.04871	0.7
183.13786	0.6
184.07307	1.2
189.09108	0.5
189.12767	0.6
189.16367	1.5
191.17918	0.7
193.15833	0.8
205.19498	0.5
207.17458	0.7
215.10573	0.5
225.18497	0.6
241.21597	0.8
245.22617	2.0
263.23639	4.6
279.06320	0.6
281.24698	100.0
282.25073	0.9
297.50540	0.5
299.25760	13.9
323.65216	0.5
383.15857	0.8
442.15359	1.5
511.29013	0.9
519.64154	0.5
582.23700	5.8
582.45160	0.6
583.24097	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84450	0.4
55.05498	0.7
56.96550	0.6
66.52542	0.4
67.05475	1.2
68.55060	0.4
69.03400	0.8
69.07061	0.8
70.06556	0.8
71.52400	0.6
73.02892	0.6
79.05478	0.6
81.03371	0.6
81.07030	1.4
83.04982	0.6
83.08604	0.6
84.04486	0.5
84.08133	0.4
85.02886	0.5
91.05469	0.9
93.07025	1.6
95.04947	0.5
95.08587	1.1
95.38927	0.4
96.43550	0.3
97.02888	0.4
97.07735	0.4
103.05408	0.4
105.07003	1.6
107.04934	0.4
107.08546	0.8
109.06468	0.4
109.10121	1.4
111.04433	0.5
115.03848	0.5
119.08560	1.1
120.07986	0.3
121.06468	0.5
121.10107	1.1
131.04933	0.6
131.08514	0.6
133.10107	0.9
137.09598	0.5
143.08482	0.4
145.10126	0.8
149.09546	0.5
157.10219	0.5
161.09541	0.4
162.07622	0.9
163.11220	0.4
167.07014	0.9
199.14888	0.4
229.14223	0.5
237.02916	0.6
268.81757	0.4
271.08426	0.4
272.09818	0.4
312.78113	0.4
333.10968	1.6
394.40189	0.4
495.15906	2.3
537.17230	28.0
547.76459	0.4
574.05225	0.4
581.16187	100.0
582.16522	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.4198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.5
55.01861	1.4
55.05500	16.8
57.03429	6.1
57.07052	4.4
65.03918	1.6
67.05490	36.6
69.07054	18.0
69.54606	2.8
69.54997	8.9
70.72874	1.0
71.04977	2.6
71.08612	2.3
71.60973	1.2
73.02921	1.3
79.05476	19.1
81.03396	1.9
81.07037	39.7
83.04945	2.6
83.08595	12.3
85.06539	2.2
91.05453	8.3
92.57851	1.2
93.07016	29.3
95.04929	3.7
95.08587	41.3
97.02860	2.0
97.06512	3.4
97.10125	5.0
99.04440	1.7
105.06992	8.9
107.04932	4.6
107.08566	19.8
109.06538	2.0
109.10143	9.7
111.04459	1.7
117.06988	5.0
119.08542	10.2
121.06467	3.1
121.10108	9.5
123.11655	4.9
130.08594	1.4
131.08513	1.9
133.04688	1.1
133.10086	4.9
135.11668	27.2
135.12694	2.2
137.13249	1.7
139.07561	1.7
145.10098	15.2
146.09746	1.1
147.11656	2.5
149.13205	1.5
151.14723	1.8
161.13283	1.2
163.09836	2.0
163.11159	31.7
175.14735	1.4
181.12190	4.1
199.88792	1.2
211.30132	1.2
227.12711	41.9
263.23624	1.6
283.15320	39.8
285.16757	2.8
335.25763	5.1
337.27295	100.0
530.39398	2.0
545.38208	59.0
581.27368	1.9
582.37225	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	581.1488
Annotation	Artabotryside A
Peak:m/z	Relative Intensity
50.54781	0.8
53.03911	0.8
55.01859	3.9
55.05489	2.7
57.03424	9.4
58.41444	0.8
58.41943	0.8
58.99573	0.9
60.10002	1.0
61.02908	2.5
64.35878	0.8
67.05479	1.8
69.03416	14.8
69.07067	2.0
70.06584	5.3
71.04980	17.6
71.66068	0.8
73.02905	7.7
75.04470	3.4
76.02204	2.9
79.05486	2.4
81.03397	3.8
81.07044	3.5
83.04971	7.2
84.04490	1.8
84.08123	3.6
85.02886	38.4
85.06525	0.9
86.05969	0.9
86.09682	2.6
87.04447	2.1
91.05437	2.4
93.07027	3.4
95.04937	2.1
95.08595	1.8
97.02883	9.8
97.06532	1.2
98.20778	2.2
99.04438	1.5
101.06007	1.1
103.03916	3.8
105.07014	3.2
107.04968	1.1
107.08572	2.5
109.02872	2.1
109.06477	1.4
109.10168	1.1
111.04413	6.8
113.02383	1.2
115.03911	10.4
116.01673	1.2
119.08573	2.2
121.06506	2.3
121.10100	2.3
123.08059	1.3
125.09538	1.4
127.03884	2.9
129.05466	10.2
132.09019	0.8
133.04918	4.2
133.10139	1.9
135.08113	1.1
137.02335	2.9
137.05927	2.4
139.03897	1.8
145.10110	1.9
147.06493	3.6
149.04442	1.4
149.09613	1.0
151.03790	1.3
153.01799	3.3
162.02184	1.7
163.03859	1.2
163.11169	2.7
165.01834	2.5
167.07011	1.6
169.04953	1.7
177.05469	1.9
179.04854	3.3
191.10596	2.2
201.05551	1.6
225.07593	2.1
229.04979	3.4
232.84145	0.8
247.03601	1.0
247.06213	1.0
257.04480	3.2
266.86810	1.0
274.04715	1.2
275.05481	1.0
283.15292	2.4
285.03989	1.4
287.05511	1.4
303.04922	100.0
304.05264	1.2
308.09082	1.3
315.04950	2.9
327.05075	1.2
345.06058	5.1
369.06097	2.5
387.16309	2.2
390.42166	0.9
395.07526	1.2
413.08588	2.7
419.22668	1.3
435.09067	3.9
449.10779	2.4
581.28198	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	580.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	19.1
55.01858	9.2
55.05491	25.0
56.31971	5.3
57.03416	8.2
57.07052	12.2
62.82743	5.2
67.05492	79.1
69.03416	48.6
69.07057	28.0
71.04974	12.2
71.52835	6.3
79.05487	68.7
81.03407	75.5
81.07046	100.0
83.04974	12.0
83.08588	11.3
85.02912	29.6
87.04446	5.8
89.06001	7.7
91.05474	51.7
92.80554	5.2
93.07027	87.7
95.04932	22.0
95.08587	71.8
97.02881	39.1
97.06514	8.9
97.10101	6.8
99.04420	7.0
105.07001	42.1
107.04925	7.1
107.08592	61.2
108.04445	20.4
109.02866	28.2
109.06486	10.2
109.10159	33.1
111.04449	8.5
117.07006	30.1
119.08567	44.5
121.10133	43.1
123.11739	16.2
125.09621	6.8
127.03878	26.3
129.06969	18.7
131.08536	35.5
133.06412	7.1
133.10139	27.2
135.11656	29.8
143.08542	17.2
145.10080	21.6
146.08098	8.2
147.08070	6.0
147.11642	25.6
149.09586	5.9
149.13188	10.5
155.33098	6.5
157.10049	8.9
159.11635	29.4
161.05991	6.8
161.13246	14.4
163.11087	6.2
171.11635	9.2
173.13234	16.3
179.14337	5.8
185.13188	7.3
187.14853	9.7
217.12303	6.2
231.06461	17.0
243.21053	8.0
249.07462	5.8
259.20453	11.6
261.22046	23.4
286.81592	7.5
291.23001	9.6
303.16592	6.6
303.23123	15.6
327.23083	9.9
351.23077	11.8
369.24075	16.3
387.25159	28.6
405.26178	26.8
433.18988	7.3
539.18799	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	580.4199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.6
55.01864	3.4
55.05501	13.4
57.03432	13.3
57.07066	10.9
59.04977	4.6
63.25033	1.7
67.05498	55.8
69.03414	1.8
69.07066	21.3
69.71251	9.9
71.04977	4.0
71.08632	8.5
79.05486	31.6
81.07047	100.0
83.04971	6.2
83.08614	8.6
84.08134	3.8
85.06548	4.1
85.10163	5.2
87.04443	3.2
89.06031	8.3
91.05465	28.3
93.07034	33.1
95.04947	5.0
95.08601	39.1
97.06516	5.3
97.10181	3.2
99.08076	3.6
105.07021	33.0
107.08575	19.8
109.06500	6.0
109.10167	10.3
115.07502	1.8
119.08569	25.3
121.10136	32.0
123.08062	4.0
123.11689	30.2
127.07567	3.2
130.08614	9.1
131.08553	6.8
133.08582	5.1
133.10110	8.1
135.11681	8.2
137.13251	3.1
145.10103	3.4
147.11676	56.5
149.13240	4.2
157.10023	2.2
159.11661	2.7
161.13271	2.3
163.14838	2.8
165.12735	24.2
173.13301	2.0
175.11197	2.5
183.13850	2.4
187.14832	2.1
187.63721	1.6
193.12257	2.4
229.14363	7.8
243.21083	6.9
261.22101	20.0
267.15878	77.8
268.16159	2.3
268.67215	1.8
285.16943	85.7
286.17282	1.9
303.00772	2.1
317.24860	3.0
335.25760	85.7
369.02853	2.1
453.33487	2.0
471.34241	2.1
527.37115	5.7
545.38354	67.0
545.46698	3.7
562.16553	2.4
581.40375	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	579.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.4
53.98159	0.8
55.01854	3.0
55.05500	10.5
57.03433	4.0
57.07058	3.2
60.02749	0.7
61.02906	0.7
65.03925	1.8
66.50283	0.8
66.91327	0.7
67.05495	57.9
67.95582	0.7
69.03407	2.2
69.07056	10.4
69.25195	6.6
69.25598	1.7
71.04973	2.0
71.08634	1.3
73.02901	3.7
75.04455	1.0
78.25877	0.7
78.46340	0.8
79.05482	28.3
81.03405	4.1
81.07043	64.3
83.04977	2.1
83.08604	6.5
85.02885	3.1
85.06532	1.7
91.05468	16.7
93.07030	43.5
95.04942	2.9
95.08591	49.2
97.02855	1.6
97.06506	2.4
97.10184	2.3
99.04431	3.3
99.08082	2.1
105.07013	14.5
107.04922	0.9
107.08572	28.4
109.02848	7.2
109.06482	1.3
109.10140	30.9
110.03658	3.2
111.04437	3.4
111.08035	1.4
111.11691	1.4
116.00539	0.8
117.07009	8.3
119.08562	13.2
121.10120	26.4
123.11690	16.0
125.09563	0.8
127.03900	3.1
129.06952	1.2
131.08545	17.4
133.10112	12.6
135.11678	22.1
137.09610	1.8
137.13231	5.5
139.11128	1.5
145.10109	14.6
147.11678	12.1
148.35933	0.8
149.09549	0.9
149.13232	18.1
149.14380	1.3
151.11130	1.4
151.14772	2.1
153.12686	1.6
157.10057	0.9
159.11674	15.1
161.13232	8.8
163.14795	13.1
165.12761	1.7
171.11655	1.4
173.13254	14.9
175.14810	3.2
177.12810	1.3
177.16357	4.4
179.14339	2.1
185.13193	0.9
187.14825	8.2
191.00064	3.4
191.14291	1.2
201.16359	2.2
205.15852	0.9
209.13225	0.8
215.17944	1.2
217.14391	0.8
233.22563	1.8
243.21031	26.5
259.20828	1.0
261.22098	100.0
262.22437	1.8
263.23651	2.2
279.23148	3.9
282.33136	1.0
303.23019	1.1
317.24536	1.1
335.25763	25.7
336.21582	0.9
336.25967	1.2
351.23721	0.8
353.26819	85.7
354.27142	1.8
369.24249	1.5
377.26917	1.7
385.53696	0.9
427.28635	1.6
433.20242	1.5
443.27649	1.8
451.21582	1.9
469.22079	1.5
487.23105	1.2
493.38925	1.0
507.24124	1.7
525.24969	1.0
543.26270	1.7
561.27167	9.6
579.28131	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	578.4614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	18.2
57.03435	14.0
57.07067	26.9
59.04979	3.5
67.05495	29.9
69.07050	29.1
70.12927	11.8
71.08602	19.4
73.81645	2.2
79.05486	16.4
81.06630	4.1
81.07041	38.0
83.08599	25.5
85.10161	5.6
89.06003	8.1
91.05470	4.5
93.07023	19.6
95.04922	4.0
95.08588	39.4
97.06501	3.8
97.10140	16.5
105.07015	3.0
107.08592	12.4
109.10133	18.4
111.08088	3.5
111.11681	6.0
121.10120	11.6
121.40205	2.8
123.11675	8.5
125.09611	4.4
131.07001	3.0
133.08569	3.3
135.11679	24.5
137.13196	4.3
145.10095	6.6
149.13203	4.5
163.11169	14.2
177.11186	3.8
177.16339	3.0
178.01149	2.5
207.66545	2.6
227.12721	16.6
263.45959	2.7
277.25424	2.7
283.15280	12.5
329.71368	2.7
335.25763	22.6
349.34698	3.0
358.42215	2.6
413.36057	16.8
451.37701	28.2
469.38861	24.0
525.41351	12.9
543.42841	100.0
578.48474	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	579.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88202	0.9
53.03938	1.8
55.01860	4.5
55.05503	11.3
57.03434	5.6
57.07066	3.9
61.02907	1.1
63.61102	0.9
65.03944	1.3
65.90910	1.0
67.05493	63.8
69.03414	4.1
69.07065	11.4
69.07426	1.7
70.76669	2.6
71.04975	3.4
71.08612	1.5
73.02907	2.7
79.05482	35.2
81.03407	5.0
81.07042	77.4
82.07329	1.1
83.04973	1.9
83.08614	8.8
85.02893	3.8
85.06524	2.1
91.04948	1.8
91.05461	15.0
92.59557	0.8
93.07029	48.1
95.04944	3.2
95.08594	56.9
97.02855	1.4
97.06528	2.5
97.10148	3.6
98.98409	1.2
99.04446	3.3
99.08068	1.9
105.04443	1.4
105.07030	17.9
107.08577	34.9
109.02873	7.4
109.10143	33.2
110.03652	5.1
111.04443	3.5
111.08043	1.5
111.11797	1.0
113.09608	1.5
117.06983	9.1
119.08566	15.8
121.10128	30.0
123.08031	1.4
123.11691	18.9
125.09611	1.9
127.03881	3.1
129.07008	1.9
131.08546	18.4
133.10120	11.8
135.08064	1.5
135.11670	24.6
137.09628	1.6
137.13216	6.0
139.11188	2.4
145.10086	16.5
147.11649	11.7
149.13237	19.0
151.11104	1.0
151.14796	2.3
153.12737	1.9
159.11664	13.9
161.13229	11.0
163.11226	1.1
163.14821	12.8
165.12732	2.6
171.11594	1.3
173.13237	15.7
175.14793	3.3
177.16321	5.2
179.14301	2.0
179.67635	1.1
187.14778	9.8
189.16440	1.3
191.00143	2.6
191.14320	1.3
201.16422	1.9
205.15855	1.7
215.18011	1.5
219.17397	2.0
233.22673	3.2
243.21045	27.8
247.30618	1.0
261.22098	100.0
262.22452	2.4
263.23624	2.0
279.23199	6.7
303.23260	1.5
335.25757	24.2
337.27322	1.3
351.22919	1.1
353.26807	99.1
354.27127	2.5
369.24216	1.9
377.26913	4.8
433.20236	1.7
443.28073	1.9
451.21329	3.8
487.23062	1.1
507.24002	1.3
515.25970	1.3
541.13666	1.1
543.25836	1.7
561.27435	8.8
579.27466	3.2
579.38641	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.4617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	13.6
56.83245	2.2
57.03423	6.0
57.07066	24.2
59.04983	1.9
67.05489	19.0
67.11246	1.9
67.40918	2.0
69.07060	22.1
71.08617	18.2
72.58765	1.8
73.02901	2.2
79.05462	7.7
81.07033	24.4
83.08597	13.1
85.06510	2.3
85.10179	9.8
87.04462	3.3
89.05996	5.0
93.07003	10.7
95.08592	26.0
97.06516	6.1
97.10145	11.7
105.06963	3.4
107.08560	9.5
109.10148	12.2
111.08046	3.5
111.11684	3.9
118.52860	1.9
119.08515	2.9
121.10118	10.4
123.11710	5.7
125.09583	2.7
131.07025	2.8
133.08603	3.0
135.11656	7.6
139.11165	2.9
149.13245	4.2
163.14897	2.5
176.65848	2.2
210.77831	2.0
211.40009	2.1
217.31631	2.1
377.33871	5.6
413.36078	14.2
451.37540	15.0
467.60068	2.3
469.38754	17.2
510.36441	2.4
525.41534	17.9
543.42474	100.0
544.42847	6.3
579.25629	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	578.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90575	1.0
53.03947	1.6
55.05504	11.8
57.03429	7.3
57.07058	2.4
59.04979	2.6
67.05495	37.3
69.07058	11.3
70.07361	1.4
71.04964	2.1
79.05477	31.9
80.75322	1.2
81.03410	1.9
81.07046	33.6
83.04967	3.0
83.08591	8.1
85.10162	2.0
89.06013	2.4
91.05464	13.3
93.07024	37.2
94.03416	1.3
95.04940	5.9
95.08591	39.8
97.02887	2.3
97.06496	3.2
97.10162	2.4
99.04420	3.1
105.07001	10.1
107.04951	5.9
107.08578	27.3
108.08880	2.2
109.06503	2.9
109.10144	9.8
117.06994	5.5
119.08554	8.4
121.06494	2.7
121.10114	15.5
123.11644	2.0
125.05988	2.1
130.07756	1.8
131.08543	4.9
133.08528	1.8
133.10081	5.7
135.07950	1.6
135.11659	30.5
139.07475	1.3
145.10097	17.6
147.11644	2.0
149.13231	2.1
159.11655	2.0
163.11159	36.0
173.13312	1.4
175.16986	1.1
178.04994	6.0
181.12202	4.9
227.12715	46.0
228.13058	1.2
229.65375	1.2
261.22018	5.5
283.15335	34.4
317.24878	1.8
323.80463	1.5
334.32031	1.3
335.25735	100.0
336.25992	4.3
507.77448	1.3
543.36713	54.8
544.36945	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	578.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.4
55.01863	0.6
55.05502	6.0
56.02670	0.4
56.05022	1.6
56.79838	0.5
57.03438	4.7
57.07062	5.5
59.04965	0.6
67.05494	7.5
69.07061	8.4
70.06570	1.8
70.44613	1.9
71.04985	0.9
71.08611	3.6
73.02912	0.5
79.05482	2.9
81.03391	0.9
81.07042	12.2
81.07522	0.7
83.04966	0.6
83.08604	8.2
84.08131	57.7
85.06511	0.9
85.08451	0.4
85.10168	2.9
87.04427	0.6
89.06040	0.6
90.00360	0.4
93.07033	3.4
95.08596	12.1
97.06513	2.3
97.10142	5.7
99.08077	0.5
105.07020	0.8
107.08562	3.1
109.06518	0.5
109.10148	6.7
110.55002	0.5
111.04443	0.5
111.08047	1.3
111.11696	2.6
113.88953	0.6
116.07063	2.0
117.05484	4.2
119.08572	0.5
120.50394	0.4
121.10137	4.2
123.11694	2.9
125.05940	1.0
125.09605	1.0
125.13333	0.5
130.08620	100.0
131.08940	1.6
135.11714	3.5
137.13226	1.1
139.11127	0.9
147.11592	0.5
149.13237	2.2
156.10204	0.7
163.14742	0.9
214.04955	0.5
220.86490	0.5
289.28891	1.0
307.30063	0.8
317.28378	0.8
334.45883	0.5
335.29541	1.3
349.30957	1.6
351.32416	0.5
353.26520	3.0
371.31552	2.4
377.30453	3.5
409.33041	1.9
425.36203	4.1
427.34308	0.8
451.34091	20.6
469.35165	4.1
525.29694	0.9
525.37769	22.5
543.38812	29.6
578.38586	0.7
578.47742	0.8
579.27454	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	14.1
54.76931	3.8
55.05500	35.7
57.03422	11.6
57.07071	6.8
67.05492	82.2
69.03420	40.1
69.07065	29.0
71.04978	9.4
71.55355	5.5
73.02921	5.4
79.05484	65.7
81.02977	5.0
81.03407	63.4
81.07045	100.0
83.04966	12.0
83.08614	12.9
84.08128	10.7
85.02898	26.0
88.78525	4.5
91.05468	47.7
93.07032	80.2
95.04962	15.0
95.08591	66.7
97.02867	33.3
97.06519	12.1
97.10135	9.3
97.96372	3.9
99.04431	11.7
103.03906	4.9
103.05437	5.5
105.07008	41.9
107.04964	4.7
107.08571	42.6
109.02872	15.9
109.10139	31.7
111.04442	12.5
117.06974	23.2
119.04863	5.0
119.08568	38.5
121.06469	28.1
121.10107	42.1
123.08109	7.6
123.11691	10.6
124.34447	4.6
125.09575	5.1
127.03883	16.0
129.06978	14.4
130.07808	4.0
130.08609	25.8
131.08542	39.6
133.10098	27.8
135.08047	7.4
135.11641	36.1
141.07001	8.1
143.08556	15.9
145.05017	4.0
145.06459	9.2
145.10101	29.2
147.08028	8.1
147.11655	22.9
149.13260	11.5
155.08597	5.3
157.10100	16.7
159.11646	24.0
161.13249	18.0
163.14755	7.4
169.10039	8.4
171.11652	13.6
173.13234	18.1
175.14792	5.9
179.10617	5.7
183.11696	9.4
185.13206	9.2
187.11145	7.2
187.14873	8.1
189.12819	6.5
197.13329	7.4
199.14822	6.3
209.13383	4.8
215.87672	4.5
235.13159	4.7
243.21016	7.2
259.20465	9.5
261.22131	15.9
273.22119	6.6
277.14194	5.4
277.21591	11.9
285.22028	7.1
289.21469	5.7
291.23294	5.5
301.21533	10.5
303.23108	17.3
315.22992	7.1
319.22852	6.9
327.23294	7.0
341.24713	15.9
351.23154	12.2
353.26642	7.9
369.24155	42.7
370.54126	4.4
387.25262	34.2
405.26300	43.7
423.27652	6.2
463.88318	4.5
491.04285	4.7
579.26605	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	578.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	0.5
55.18959	0.2
56.05008	1.3
57.07058	0.6
59.47469	0.2
67.05491	0.7
69.07042	0.3
79.05467	0.6
81.07034	1.0
84.08128	52.8
91.05461	0.4
93.07040	0.6
95.08603	0.6
105.07009	0.8
107.08546	0.4
119.08589	0.3
130.08615	100.0
131.08931	1.1
133.10141	0.3
252.04579	0.2
265.87552	0.3
337.27243	0.3
528.37427	0.5
546.38409	0.3
578.37512	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	578.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	2.7
55.05506	8.2
57.03420	3.7
67.05239	1.0
67.05499	12.4
69.03412	2.9
69.07056	8.5
70.06567	1.5
71.04999	7.8
71.52473	1.7
73.05152	1.0
79.05476	13.6
81.03397	2.6
81.07037	37.0
81.07520	2.0
83.04958	3.2
83.08601	8.2
84.08135	2.0
85.02855	2.6
91.05457	9.7
93.07028	11.3
95.04943	4.7
95.08584	11.5
97.06522	3.0
97.10178	1.8
99.08076	1.4
105.07011	12.7
107.04950	5.8
107.08567	10.0
108.08833	1.2
109.06493	17.9
109.10140	3.6
111.04396	2.6
111.08043	2.3
113.09634	1.7
117.06995	2.8
119.08547	12.3
121.06448	3.2
121.10141	7.2
123.08066	3.5
123.11680	3.8
125.09589	2.0
129.06938	1.3
130.08609	4.6
131.08525	6.4
133.10106	8.5
135.08002	3.5
135.11652	4.0
137.09579	3.3
143.08536	2.0
145.10089	7.1
147.11652	8.3
149.09537	3.3
149.13245	4.5
151.11171	2.0
153.41701	1.0
159.11679	4.3
161.13263	1.5
163.11137	4.5
163.14725	1.6
165.12817	2.3
173.13280	2.3
175.11151	2.5
187.11229	1.3
187.14813	1.1
192.34969	1.1
193.12204	1.7
226.73734	1.2
226.76024	1.2
229.19499	1.5
247.20514	2.8
257.18881	3.1
275.17401	0.9
275.20016	24.3
289.05289	1.4
293.21182	2.7
307.22632	2.4
326.64157	1.4
349.23669	100.0
350.24042	3.3
367.24557	6.5
381.26230	37.9
382.26703	1.5
419.23807	1.3
437.25186	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.4
55.05488	1.1
56.04777	0.4
56.05013	2.3
57.03427	3.1
57.07064	0.7
58.74172	0.5
58.99556	0.5
59.04990	29.8
61.01131	1.1
61.02909	0.7
62.04385	0.4
67.05480	1.2
69.03413	2.9
69.07040	1.0
70.06583	3.8
71.01337	0.8
71.04963	1.5
71.53360	0.7
71.86074	0.4
72.08140	2.9
73.02897	1.8
73.06518	0.9
74.06067	1.1
78.72105	0.4
79.05473	2.2
81.03408	1.7
81.07035	1.2
82.06526	1.1
84.04489	1.4
84.08118	4.1
85.02885	7.8
85.06539	0.6
86.06039	1.5
86.09691	2.4
86.12692	0.5
87.04452	7.0
87.05585	0.5
88.03973	1.0
88.04845	0.6
89.06011	100.0
90.06322	0.8
91.05443	3.6
93.07016	1.8
94.06542	0.9
95.01299	1.0
95.04944	1.2
95.08589	1.1
97.02885	1.5
97.06511	0.7
99.04460	1.1
100.07568	0.6
101.06001	0.6
102.05515	0.7
103.03916	0.7
103.07559	2.5
104.05305	3.5
105.07010	13.3
107.04945	1.0
107.07046	3.1
107.08583	2.1
108.08094	0.6
109.02867	1.1
109.06487	1.2
109.10106	0.9
110.06025	0.5
110.07140	1.1
110.09665	0.8
112.07561	0.6
113.02377	1.1
116.07055	1.0
117.05480	0.6
117.07018	0.7
117.09115	2.7
119.04906	1.2
119.08570	2.1
120.01124	0.4
120.08085	0.9
121.06481	1.0
121.10136	1.3
122.02706	0.9
123.04396	0.8
123.08059	1.4
123.11666	0.5
124.07597	0.5
126.05492	0.7
127.03884	1.3
128.06154	0.5
129.05499	0.9
129.06949	0.7
129.10231	1.2
130.08598	5.1
130.62569	0.4
131.03369	0.5
131.04887	0.6
131.07034	1.1
131.08531	0.8
133.06474	1.9
133.08586	45.5
133.10110	20.5
134.10483	0.6
135.08044	0.9
136.07549	1.2
137.02332	3.1
137.05951	9.6
137.09589	0.6
138.05426	0.4
138.06300	3.6
141.01810	1.1
143.07034	0.7
143.08505	1.1
144.06548	1.4
145.05032	0.5
145.10074	0.9
146.08098	1.2
147.04382	1.5
147.08075	1.0
147.10136	2.0
147.11746	0.6
151.07521	1.4
151.09598	0.8
153.01826	0.6
154.05051	0.6
158.09991	2.9
161.05981	1.5
161.09581	16.9
161.11716	1.7
162.10007	1.0
163.03923	0.5
163.11157	1.3
164.04695	0.5
165.09073	0.6
167.06990	1.0
171.07983	0.7
173.72549	0.4
177.05382	1.2
177.11182	18.2
179.07005	8.4
179.10550	2.3
180.07358	5.2
181.04944	0.5
189.09045	6.7
189.12756	0.5
191.03319	0.5
191.07024	0.6
191.12738	1.3
191.14317	1.3
195.12201	2.4
203.06937	1.3
203.08821	0.5
203.12103	2.4
207.10114	2.2
216.12340	0.5
217.08215	2.0
221.13799	2.1
231.11690	0.8
235.13266	0.8
235.15465	0.8
239.14879	3.8
253.14278	9.4
253.16754	0.6
254.11035	0.9
263.12659	3.0
264.13220	0.6
265.16513	0.5
281.13770	22.2
282.14249	1.4
283.17450	59.5
284.17899	1.2
303.04916	9.4
311.20578	0.6
312.16159	0.8
313.07098	0.7
315.05011	2.1
327.05023	0.8
328.12659	0.8
329.06607	0.8
330.17093	1.9
341.06476	8.2
341.21634	28.6
342.07117	1.1
342.21814	0.9
346.14319	1.2
348.17725	0.8
369.06155	1.1
383.07553	1.3
387.06955	9.7
388.07516	1.3
399.25793	45.4
400.26105	1.1
402.15616	1.2
414.11801	3.9
433.11298	0.8
446.10712	1.1
447.19034	1.1
560.17389	0.8
578.17841	3.1
578.33850	1.9
579.17786	0.7
592.12897	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
55.01860	1.3
55.05503	0.9
57.03426	1.2
57.07066	1.0
58.90923	0.3
58.99575	1.1
59.04984	0.4
61.02919	0.5
67.05491	1.6
69.03417	37.3
69.07057	2.7
69.72377	1.4
69.72792	0.8
70.06582	1.9
71.04983	2.9
72.08138	0.3
72.71334	0.3
73.02890	1.2
76.02219	3.2
79.05485	1.2
79.36466	0.3
79.73917	0.4
81.03411	4.3
81.07049	3.2
83.04961	2.9
83.08603	0.9
84.04491	0.5
84.08124	1.4
85.02890	11.1
85.06515	1.3
86.06060	1.6
86.09707	0.5
86.99058	0.5
87.00816	3.3
88.02196	0.3
88.03931	0.3
91.03905	0.4
91.05469	1.6
93.07021	2.7
95.04972	0.4
95.08589	5.6
97.02882	4.0
97.06519	1.7
99.04457	2.1
99.08026	0.3
103.49858	0.3
105.00079	0.8
105.01857	2.6
105.07026	3.3
107.04920	0.7
107.08576	7.0
109.02860	4.6
109.06493	3.2
109.10149	1.9
110.07134	0.3
111.08077	1.6
112.07581	0.8
116.06298	0.3
116.07129	0.3
117.01817	0.7
117.06955	0.4
118.03333	0.3
119.08572	3.4
121.06483	1.9
121.10125	9.6
122.02713	8.8
123.08067	2.0
123.11691	5.2
125.09608	11.9
127.03892	7.0
129.01793	0.9
130.08600	0.8
131.08534	4.3
133.10117	3.7
135.07085	0.6
135.08029	7.3
135.11673	4.9
137.02315	2.2
137.05960	0.5
137.09595	0.4
143.08517	0.7
145.04942	1.9
145.10091	2.5
146.02689	0.6
146.08238	0.3
147.02780	0.4
147.11650	2.1
149.09601	5.2
149.13245	2.5
150.10420	0.3
151.07553	0.4
151.11185	1.0
153.09074	4.3
158.10886	2.1
159.02943	2.1
159.11751	0.4
161.09569	1.2
163.11140	1.8
163.14795	4.2
164.03754	0.4
165.12753	2.2
167.05219	1.0
167.06709	0.4
167.10654	1.1
173.11722	0.7
173.13229	14.0
176.11969	0.6
177.05434	0.6
189.09026	0.4
189.12752	0.3
190.05251	0.8
191.03426	0.3
191.14275	56.0
192.14536	0.7
203.07144	0.4
209.15329	100.0
210.15631	1.1
212.03661	0.6
223.11462	2.0
225.13004	0.4
227.16335	0.4
229.05080	0.4
231.04994	1.6
241.12482	3.0
278.02832	0.4
312.16193	0.9
313.07138	0.4
315.04883	4.3
329.06390	1.4
330.17264	6.1
341.06546	4.0
353.06277	0.4
355.07956	0.9
370.07932	0.6
383.07565	5.8
396.10797	0.7
414.11758	7.6
432.12753	0.6
433.11224	0.7
439.15796	0.4
457.20734	0.7
540.21619	0.3
560.17407	2.4
578.22821	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	578.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01630	0.6
55.01866	7.0
55.05502	1.2
56.05024	0.6
57.03444	2.8
58.06578	1.3
59.04968	0.6
63.31871	0.5
67.05494	0.8
69.03407	2.6
69.65474	1.7
69.65903	1.7
70.06585	5.7
71.04983	16.7
72.08128	0.8
73.02886	0.8
75.04452	1.1
77.56676	0.4
81.03399	1.9
82.06558	1.2
83.04970	1.0
84.04475	2.4
84.08133	3.4
85.02891	19.0
85.05268	1.2
86.06050	21.2
86.09680	1.3
87.00797	0.6
87.04449	0.6
93.07027	0.5
94.06554	4.8
95.04976	1.5
97.02840	0.6
99.04448	0.9
100.07601	3.8
105.07019	0.8
107.04917	0.6
107.08556	0.8
109.02878	0.5
110.07198	0.7
111.04439	0.7
112.07597	9.5
119.08560	0.7
121.02888	0.9
121.10098	0.7
122.02781	0.8
123.04362	0.6
125.09644	0.6
127.03897	3.4
129.05460	3.5
129.16855	0.5
130.08623	2.9
131.04869	0.7
133.10127	1.1
135.04433	0.8
135.08022	1.1
136.07582	1.4
137.02316	22.6
137.03337	0.8
137.05872	0.7
139.03844	0.9
141.81111	0.5
146.08095	2.2
147.04398	1.2
149.02374	0.8
149.09590	0.6
149.40680	0.5
151.07539	0.9
161.09569	1.0
163.03856	3.7
163.11227	0.6
165.01790	1.4
175.03885	3.1
177.05438	1.8
183.02794	0.8
185.05997	0.6
187.03902	1.0
189.05479	0.7
189.09123	0.6
191.03313	3.2
191.14284	3.1
201.05460	0.7
203.03369	1.3
205.04909	1.0
209.15349	4.9
211.07440	0.9
215.03377	1.0
217.04825	0.8
229.04892	3.3
233.04344	3.1
239.07066	1.3
241.04834	0.7
259.05978	1.0
267.06549	1.1
281.13812	0.7
285.07520	0.7
287.05460	1.1
295.06021	1.6
299.05377	1.0
303.05096	3.4
309.07251	0.6
313.06934	5.4
315.04913	52.3
323.05469	1.1
326.04269	1.3
327.04974	0.9
327.08453	1.0
329.06479	22.5
337.06989	1.4
339.04724	2.4
340.05975	1.1
341.06494	50.4
353.06506	5.6
355.04184	0.8
355.08066	10.5
365.06549	2.5
383.07544	65.5
384.07843	1.2
396.10678	7.3
414.11752	100.0
415.12015	0.8
432.12836	9.9
456.12808	3.1
457.16769	0.7
487.12350	1.8
524.15552	1.5
529.13177	1.9
542.16687	2.6
560.17548	35.9
578.18091	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	576.4461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.6
55.05492	7.1
57.03430	12.6
57.07065	32.9
67.05497	16.9
69.07054	7.8
71.08626	20.7
71.24758	4.6
79.05474	9.1
81.03409	51.3
81.07049	18.6
83.04989	4.3
83.08601	19.9
85.10161	11.0
91.05466	10.6
92.01774	1.9
93.07037	7.4
95.04955	14.5
95.08588	17.0
97.06476	2.2
97.10153	5.1
98.09500	2.3
99.11658	2.1
105.07010	10.1
107.08573	3.2
109.10144	9.5
111.08054	7.3
119.08566	11.8
121.10134	4.3
123.11665	3.4
129.06981	6.0
131.08586	6.4
133.10101	6.4
139.50618	2.1
147.08032	3.2
147.11697	7.0
157.10144	8.4
175.11163	4.2
193.12189	17.7
196.47081	2.0
208.42979	2.4
236.86540	1.9
267.15878	100.0
268.99420	2.3
305.20157	2.1
313.27313	84.2
349.81476	2.2
505.38785	69.2
541.40546	2.8
543.02979	2.4
561.72131	2.2
576.49976	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	577.276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87576	1.0
53.03938	3.7
55.05499	10.5
55.84299	0.9
57.03425	10.5
57.07063	3.5
61.24380	1.0
65.03931	3.0
67.05492	46.1
68.72209	1.0
69.03425	1.8
69.07054	11.3
69.91475	2.2
69.91889	3.5
71.04980	2.8
71.08598	1.0
79.05476	35.7
81.03401	11.3
81.07039	54.2
83.04962	1.1
83.08592	7.6
84.08154	1.2
85.02892	2.0
85.06526	2.1
91.05458	19.3
93.07021	46.3
95.04956	4.7
95.08590	38.7
97.06502	3.3
97.10157	3.0
98.98445	100.0
99.04428	2.6
99.08067	2.0
105.04487	1.3
105.07006	17.1
107.04925	1.7
107.08575	30.9
109.02835	7.5
109.06496	1.7
109.10137	16.6
111.08032	2.3
113.09642	1.1
116.99499	3.7
117.07014	6.7
119.08559	14.4
121.10117	27.6
123.08047	1.5
123.11682	9.3
125.09612	2.1
125.28121	1.0
127.03893	1.8
131.08524	15.1
133.10100	14.0
135.08012	1.5
135.11655	20.3
137.13229	3.9
139.11165	1.3
140.01024	1.2
145.10091	11.2
147.11690	9.8
149.02324	9.7
149.09584	1.1
149.13225	16.6
151.11201	2.2
153.12708	1.4
153.78120	1.0
155.01009	94.3
159.11670	10.5
161.13246	9.4
163.11139	1.3
163.14804	10.2
165.12796	2.2
167.14171	1.0
173.02081	2.8
173.13248	9.1
174.96519	1.0
175.14780	4.0
177.12811	1.3
177.16386	2.5
179.14270	1.3
187.14742	6.2
193.05000	4.8
196.03825	1.2
201.16356	2.3
205.15860	1.6
219.17407	1.0
225.01598	1.6
233.22679	2.7
243.02620	4.2
243.21043	22.0
261.22079	55.4
262.22482	1.2
277.21667	1.3
292.34009	1.0
299.05389	2.1
303.05249	1.2
317.06204	15.3
317.24692	9.4
335.25723	76.4
336.25989	1.9
356.65619	1.2
405.25934	2.1
415.22293	8.1
423.27106	6.7
559.25653	4.4
577.13599	6.2
577.21655	1.3
577.26587	1.4
577.36353	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	576.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.0
55.01845	0.4
55.05500	20.4
55.89017	0.2
56.05842	0.3
57.03424	0.3
57.07053	0.3
59.05003	0.2
61.02903	0.4
65.03927	0.7
67.05480	0.7
69.03414	2.6
69.07047	1.4
69.47247	1.9
70.06571	1.0
70.07398	0.3
71.04963	0.5
71.08576	0.2
72.08127	0.3
73.02890	0.7
73.06541	7.3
79.05472	0.7
80.05763	0.3
80.36521	0.2
81.03405	1.9
81.07034	1.7
83.04970	0.4
83.08601	0.5
84.08116	0.6
85.02889	4.1
85.06532	0.3
86.09695	0.6
87.00808	1.8
87.04456	0.3
91.03931	0.3
91.05438	0.6
91.07565	0.7
93.07014	0.8
95.04933	0.6
95.08572	1.5
97.02859	1.8
99.04437	0.7
99.08052	0.6
103.05453	0.4
105.01819	1.2
105.07019	0.5
107.08560	0.7
109.02863	1.8
109.10139	0.8
110.10445	0.3
111.04404	0.3
111.08083	0.3
119.08536	0.7
121.02110	0.2
121.02840	1.6
121.03667	0.3
121.10110	0.7
123.11687	0.6
127.03876	2.8
129.10272	0.3
130.08586	0.4
131.04889	1.1
131.08557	0.2
133.10057	0.5
135.07970	0.2
135.11646	0.5
137.05952	0.4
137.13258	0.4
145.04909	0.9
145.10062	0.4
146.08098	0.3
147.11664	0.5
149.02307	100.0
150.02632	1.0
150.13457	0.3
159.02885	0.7
161.05887	0.4
163.07458	0.3
167.03371	2.5
167.07054	0.3
175.07515	0.8
175.97762	0.2
177.05450	0.3
178.04922	0.3
181.08553	0.5
190.04918	0.7
203.06978	3.6
206.04581	0.3
221.08040	37.6
222.08391	0.4
231.05008	0.6
275.12772	0.5
292.27045	0.3
293.13760	24.1
309.89816	0.3
311.14859	1.7
315.05170	0.3
469.13492	0.3
489.75687	0.3
505.78311	0.3
536.52332	0.3
541.18829	0.6
576.21967	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46024	0.2
55.05511	0.5
56.05027	1.3
57.07076	0.4
67.05485	0.8
71.55253	0.5
81.07024	0.7
84.08128	56.3
87.68445	0.2
89.05988	0.3
93.06999	0.3
95.08596	0.4
113.37305	0.3
126.60646	0.2
130.08617	100.0
171.46967	0.3
175.47421	0.2
197.28670	0.2
233.70566	0.2
296.18906	0.2
335.25845	0.2
383.23788	0.3
523.12103	0.3
576.47675	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.6119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.7
55.05501	30.3
56.05836	1.9
57.03436	2.3
57.07071	72.4
57.18097	1.6
58.07379	3.7
67.05499	56.8
68.05833	3.6
69.07060	62.0
71.04996	9.5
71.08625	57.0
71.53878	2.1
71.54230	1.5
79.05482	9.5
79.15559	1.5
80.05835	1.5
81.07048	100.0
82.07384	7.4
83.08138	3.1
83.08614	47.3
85.06508	3.4
85.10172	34.5
87.04467	5.1
91.05482	10.7
93.07022	9.9
95.04935	1.5
95.08598	92.8
96.08936	4.1
97.06477	1.9
97.10165	42.2
99.11717	4.3
104.13326	1.5
105.07019	6.3
107.08587	6.7
109.10144	53.7
110.10461	2.5
111.11716	35.3
113.09645	1.7
113.13282	3.4
119.08549	2.8
121.10133	4.0
123.11704	32.2
124.12080	3.4
125.13239	13.4
127.14809	3.4
133.10103	7.2
134.10480	2.2
135.11678	4.2
137.13261	12.3
139.14821	7.5
141.16455	1.8
143.08563	1.7
145.10114	1.8
149.09538	2.4
149.13287	4.0
151.11182	2.0
151.14812	5.7
153.16341	2.5
159.11658	2.8
161.13329	2.1
163.14877	1.8
165.16345	8.5
167.17868	1.5
179.17905	4.2
187.13281	1.6
193.19534	2.6
198.71683	1.9
203.41830	1.6
239.23730	2.6
301.20206	4.7
302.20441	8.1
305.32159	2.1
313.27393	7.3
314.27573	11.6
365.79141	1.7
421.10989	2.0
481.38867	7.5
482.39209	60.1
483.39584	5.2
496.40982	2.8
508.40750	2.7
540.43451	34.4
541.43677	1.9
557.60217	17.6
575.41815	3.5
575.49933	20.5
575.61011	12.3
576.50323	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	576.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78468	0.3
51.02930	0.2
53.03930	0.6
55.01857	0.9
55.05501	13.7
57.03415	0.7
59.04983	0.9
61.02915	0.3
65.03936	0.8
67.05474	0.4
69.03414	1.2
69.95401	0.2
70.06571	0.7
71.04990	0.3
72.08141	0.6
73.02903	5.6
73.06543	7.7
81.03403	1.3
81.07001	0.3
84.08102	0.7
85.02890	3.3
86.09680	0.3
87.00794	1.4
87.04453	0.6
89.06006	2.3
91.03907	0.2
91.05485	0.5
93.07040	0.3
95.08596	0.5
96.26694	0.2
97.02882	1.6
98.21532	0.5
99.04437	2.4
101.06010	0.2
103.03902	0.3
105.01855	1.2
105.06975	0.3
109.02859	0.9
109.10126	0.3
113.05994	0.6
114.04685	0.3
117.05456	1.7
119.08529	0.3
121.02814	2.2
127.03884	2.0
129.07001	0.7
129.10208	0.3
131.07014	2.9
131.08531	1.7
133.08563	1.5
143.04877	0.4
145.04950	0.8
146.08144	0.2
147.08043	0.3
149.02310	100.0
150.02632	1.3
157.06485	0.5
159.02829	0.6
159.08101	0.2
161.05942	3.7
161.08003	0.3
167.03386	1.1
168.39244	0.2
173.05602	0.2
175.07507	13.0
177.11211	0.7
185.05905	0.6
189.11118	0.5
190.04916	0.4
196.42134	0.2
203.06993	17.6
204.07411	0.3
221.08046	9.4
249.13330	0.3
275.12729	9.4
293.13760	63.8
294.14087	1.3
311.14679	0.7
371.22803	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.4667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00275	0.8
55.05502	8.7
57.03424	5.2
57.07069	27.0
59.04978	1.1
65.03923	0.8
67.05495	38.7
69.07057	9.1
71.04984	16.9
71.08620	20.0
71.19126	0.9
71.19459	1.1
79.05482	9.2
81.07044	64.1
83.04955	2.3
83.08611	12.9
85.06535	5.9
85.10168	13.1
87.04454	5.4
89.06018	1.0
91.04969	1.1
91.05474	11.3
92.05742	0.7
93.07038	9.6
95.04978	1.2
95.08590	20.7
97.06507	2.6
97.10150	5.5
99.08079	1.2
105.07011	5.3
107.08588	5.7
108.82352	0.7
109.06511	1.1
109.10133	11.8
111.11730	0.9
117.07001	1.6
119.08566	1.2
119.81339	0.7
121.10158	3.4
123.11689	11.2
131.08548	2.0
133.10117	10.7
135.11673	1.9
137.13269	1.0
149.13213	3.1
151.11172	5.0
159.11705	2.9
161.13245	0.8
169.12206	0.8
170.58977	0.6
177.12688	1.9
183.13768	2.2
187.13324	3.6
195.13696	1.1
239.23663	1.8
243.47888	0.7
257.17471	1.7
269.17435	4.5
301.20038	21.7
307.78152	0.7
313.27310	27.8
352.77649	0.7
402.20108	0.8
472.07129	0.7
481.38803	100.0
482.39182	1.7
495.40234	4.5
507.40430	5.3
530.02936	0.7
539.42987	55.2
540.43500	1.2
574.22162	0.8
574.48987	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	575.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.8
53.84065	1.5
55.05491	5.0
57.03419	2.2
57.07059	2.5
61.02922	2.2
66.39768	1.4
67.05502	7.4
69.03410	6.0
69.07059	9.1
70.04077	2.7
70.06564	2.3
71.04966	2.6
71.08627	1.9
71.54292	1.7
71.54969	1.9
73.02886	2.6
78.45475	1.5
79.05468	5.4
81.03398	3.6
81.07040	17.5
83.04945	2.6
83.08603	3.8
84.08107	7.9
85.02883	9.1
85.06551	3.2
87.00813	2.7
87.04424	1.7
89.05945	1.6
91.05452	4.4
93.07028	12.1
95.04953	3.4
95.08589	11.1
97.02885	7.7
97.10159	2.5
101.05994	2.0
105.07026	7.7
107.08591	7.4
109.10142	7.9
119.08559	4.1
121.06473	2.6
121.10123	7.2
122.05978	2.1
123.11671	4.0
127.03902	5.8
131.04906	3.0
131.08557	3.1
133.06479	2.1
133.10091	4.0
135.06824	4.0
135.07991	1.8
135.11670	2.8
137.05930	2.2
140.06995	3.8
143.08611	1.7
145.10109	2.7
147.07999	2.9
147.11668	2.8
149.09647	2.5
149.13225	5.0
159.11684	2.5
161.09531	2.5
161.13295	2.7
162.07631	1.7
173.13420	1.5
188.10680	3.3
191.95041	1.6
193.75098	1.7
215.08110	1.9
225.10144	8.6
226.10960	3.0
237.10397	1.8
238.11012	4.8
239.08200	2.7
239.11755	3.2
241.09866	2.1
251.08356	1.8
251.11699	1.7
252.08907	5.6
253.09679	76.6
254.10452	36.4
254.12939	2.5
255.11224	5.5
259.40704	1.8
265.09714	5.2
266.10406	20.9
267.11221	36.7
268.11969	18.9
278.10449	2.7
280.39197	1.6
291.26663	2.9
293.09158	3.3
294.09976	7.6
295.10718	100.0
296.11481	70.1
297.12015	2.5
309.28024	2.2
311.10336	3.7
312.10965	24.0
313.11752	76.7
313.15408	3.9
314.12506	2.2
392.16040	3.2
393.95615	1.5
394.17822	3.3
399.28384	1.9
413.21536	1.7
413.33536	1.8
417.16739	2.9
423.26376	1.7
434.16986	2.2
435.17853	3.1
436.18552	82.7
452.18082	41.3
453.18851	5.7
454.19504	15.3
557.23981	16.0
575.24854	99.2
576.25665	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	574.4305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02975	2.3
53.03953	5.5
55.01851	5.9
55.05497	7.8
57.03422	9.9
57.07064	42.9
58.10236	2.4
59.04985	3.3
59.68550	2.1
67.05494	49.0
67.32076	2.2
69.07056	17.0
70.63960	6.8
71.05003	3.5
71.08620	27.4
79.05482	30.2
80.28379	2.1
81.03400	9.2
81.07039	38.9
83.04973	14.2
83.08598	11.1
84.08150	3.3
85.06544	4.9
85.10153	12.9
87.04453	42.1
91.05455	18.9
93.07023	32.5
95.01421	2.7
95.04953	10.8
95.08581	28.0
97.06512	10.5
97.10175	5.2
99.04439	3.5
102.42551	2.6
105.07018	10.1
107.04939	21.9
107.08572	19.3
109.06516	3.6
109.10146	18.2
109.28256	2.5
111.04422	28.6
111.08055	9.6
117.07001	12.6
119.08552	12.4
121.06495	6.6
121.10118	27.0
123.04453	2.7
123.11753	3.1
125.05963	2.8
129.05418	2.9
129.06995	3.4
131.08549	8.5
135.08113	2.3
135.11662	33.1
138.15628	2.1
140.91197	2.2
145.06485	4.3
145.10097	32.9
147.07907	2.6
149.09590	8.5
153.12738	12.9
155.08525	8.4
163.11159	41.5
173.09587	23.0
181.12234	18.5
191.10690	13.7
209.11684	5.7
227.12755	20.8
238.43193	2.4
265.14285	72.9
267.15723	3.9
283.15350	100.0
301.16397	80.4
306.22034	2.4
313.27313	88.4
470.65268	2.9
521.38300	37.6
539.39288	45.0
574.39502	7.3
574.49091	10.6
575.39099	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	574.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.7
55.05510	1.1
56.05026	11.0
57.03435	1.1
58.06598	1.7
65.03945	0.4
67.04245	2.0
67.05508	0.5
68.05022	3.0
69.03439	1.3
69.07059	1.0
69.27844	0.5
69.28136	4.3
70.06577	4.4
70.06892	0.4
71.01359	0.4
71.04977	9.5
71.05350	0.6
72.08150	1.9
73.02914	0.8
74.06081	0.4
75.04493	0.4
79.05498	0.5
80.05002	0.7
81.03414	1.3
81.07073	0.6
82.06567	9.6
83.04983	0.9
83.07365	1.1
84.04503	0.7
84.08154	2.0
85.02886	11.2
86.09695	4.3
87.04475	0.9
88.03999	0.4
91.05479	1.1
93.03439	0.8
93.07063	0.7
95.04946	0.9
97.02886	0.8
101.07096	0.4
103.05555	0.4
105.07029	1.2
109.02885	1.2
109.10193	0.6
110.06065	0.5
110.07166	0.9
114.05516	0.5
119.04932	0.8
119.08602	1.2
120.08141	0.7
121.02866	0.5
121.06512	0.5
121.10155	1.3
122.06044	1.2
123.04391	0.5
123.11700	1.0
124.07534	0.6
126.05607	0.4
127.03918	1.6
128.07135	0.6
129.05431	2.4
129.10211	0.7
130.04973	0.5
130.08643	1.8
131.04897	0.9
133.10136	0.9
135.11703	0.4
136.07603	0.6
137.02316	24.7
137.05975	1.4
145.02841	0.4
146.08093	0.5
147.04335	1.8
147.08055	0.4
149.02367	1.0
149.06013	1.0
151.03896	0.7
151.07611	0.6
159.04411	1.8
161.02338	0.7
161.05913	1.0
163.03906	0.9
163.07536	0.6
165.01825	0.5
165.09117	0.4
172.47255	0.4
174.05453	0.8
175.03902	2.5
175.14783	1.0
175.22859	0.5
177.01897	0.6
177.05499	0.9
178.04930	0.5
179.07034	0.5
187.03854	2.0
187.07405	0.6
188.07080	0.4
189.05528	0.7
190.04976	0.8
192.06502	0.5
193.15892	0.9
197.30579	0.4
203.03401	1.6
210.07509	0.8
211.16856	0.8
216.06505	2.3
217.04907	1.1
230.08290	0.7
232.05997	0.7
243.06573	0.5
251.07097	0.9
273.03885	1.6
279.06601	1.2
295.06177	0.5
297.07571	0.6
299.05396	4.1
302.04236	1.3
303.04962	1.7
311.05484	1.6
315.04904	6.9
324.08716	0.6
325.06989	10.4
326.04071	0.9
326.07538	0.5
327.04965	6.6
327.08649	1.3
328.08170	1.1
329.06430	3.8
337.07126	0.5
339.04956	0.9
340.04562	0.5
340.08203	4.7
341.06421	4.2
342.09668	6.9
343.08130	0.8
353.06482	22.6
354.06403	0.7
355.07861	5.9
356.07645	2.2
366.09738	3.3
368.07584	0.7
369.08368	1.1
382.09082	8.5
384.10699	38.0
385.10840	0.6
397.05649	1.3
410.08740	0.9
416.26041	0.4
428.09695	100.0
429.09943	1.7
523.94690	0.4
530.16467	0.8
556.19092	0.6
574.15326	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	573.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31949	2.3
55.05496	5.8
56.76131	2.4
57.03439	4.1
57.06787	3.9
57.07066	63.1
57.81415	2.3
58.04202	10.5
59.04997	25.5
67.05508	13.3
67.05795	2.2
68.06284	2.6
69.07052	10.4
69.43371	21.4
71.04971	3.7
71.08621	100.0
72.05755	16.7
72.08958	4.6
73.02906	9.5
73.06550	17.1
79.05481	6.6
81.07034	11.1
82.07836	4.3
83.08601	9.9
85.10171	60.9
87.04448	41.8
88.05262	4.1
89.06012	42.9
89.77480	2.2
90.01902	55.4
93.07027	6.5
93.07570	2.3
95.08595	14.6
95.76211	2.1
97.10165	4.6
98.20644	2.8
101.05978	3.8
102.05493	3.0
102.06786	3.5
103.07565	14.7
107.08577	4.2
109.10137	4.3
116.08366	5.3
117.07085	2.7
117.09103	14.8
119.08543	5.4
121.10136	3.3
124.12428	3.5
127.14806	7.0
130.08611	3.3
131.07018	3.0
131.08533	2.7
133.08600	20.0
133.10156	3.4
135.10167	2.8
135.11708	2.8
141.46657	2.6
152.14388	2.3
155.14281	9.6
161.11629	2.8
175.09607	3.6
177.11238	8.1
178.07050	9.3
184.18205	2.9
185.18971	9.6
201.66933	2.7
208.15434	8.2
209.13809	4.1
222.09688	11.4
222.16994	4.5
229.21510	4.8
238.16530	4.6
252.18108	4.6
254.15923	2.7
256.26428	3.7
266.12296	6.9
266.19489	3.8
267.18091	4.0
268.17352	3.4
271.16144	2.9
282.19165	3.5
285.17944	2.9
296.20624	8.6
300.29016	3.6
312.20026	5.7
334.29550	5.4
336.80405	2.7
372.18622	9.3
398.06958	2.7
422.34875	22.8
482.36862	3.4
567.91510	4.2
573.38977	17.1
573.48492	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.6
55.01846	0.3
55.05467	1.1
56.05026	12.0
57.03401	0.8
58.06556	1.6
65.03908	1.0
67.04234	2.0
67.05471	0.3
68.05015	2.3
69.03394	0.6
69.07046	0.6
70.06576	2.7
70.81548	1.1
71.04980	2.6
72.08119	0.8
79.05472	0.4
80.05000	0.8
81.03384	0.8
81.07022	0.5
82.06566	11.7
83.07312	0.9
84.04450	0.8
84.08099	1.4
85.02886	3.8
86.09653	1.4
91.05440	0.7
93.03379	1.2
93.23524	0.4
95.04929	0.5
98.20809	0.4
100.07582	0.4
102.05498	0.4
102.67686	0.3
105.07021	0.6
107.08520	0.5
109.02836	0.8
110.07045	0.4
111.04376	0.5
117.03301	0.3
119.04895	0.4
119.08484	0.5
120.08081	0.4
121.02825	0.6
121.10098	0.7
122.06017	0.8
123.04391	1.1
123.11675	0.5
124.07557	0.7
126.05447	0.4
127.03858	1.3
129.05458	0.7
129.10188	0.5
130.08589	0.6
134.05969	0.3
136.07529	1.0
137.02318	26.7
137.03383	1.7
137.05902	0.7
146.08057	0.7
147.04355	1.5
148.07483	0.5
149.02275	1.1
150.05443	0.5
154.03470	0.4
159.04387	1.7
161.02324	0.9
161.05881	0.9
163.03865	0.8
164.06995	1.0
166.08600	0.4
167.03426	0.5
167.07016	0.9
174.05450	0.5
174.09122	0.5
175.03879	1.7
175.09959	0.3
175.14748	0.4
176.07031	0.5
177.05408	0.9
179.03369	0.3
187.03891	1.9
188.06865	0.4
189.05379	0.9
190.04933	1.0
190.08629	0.7
192.09970	0.3
193.15855	0.8
199.03951	0.7
200.06898	0.5
203.03413	2.0
204.06516	0.6
205.04967	0.5
210.07579	0.8
211.16759	0.4
216.06494	3.0
217.04922	1.2
223.07585	0.5
227.07230	0.4
230.08118	0.7
237.05341	0.4
238.10670	0.7
239.07248	0.4
243.06526	0.4
251.06946	0.8
273.03882	1.1
279.06396	1.3
281.04355	0.4
283.06030	0.5
287.05515	0.6
297.07651	0.8
299.05435	4.4
302.04190	1.2
303.04855	2.3
307.05862	0.7
310.07379	0.4
311.05374	2.3
313.06958	0.6
315.04919	7.6
324.08655	0.4
325.07001	9.7
326.04019	1.2
326.07477	0.4
327.04907	7.4
327.08557	1.5
328.08109	1.4
329.06451	3.6
338.10284	0.5
339.04718	0.8
340.04391	1.2
340.08124	5.3
341.06519	5.5
342.09634	7.9
343.08014	0.9
353.06482	27.0
354.09967	0.5
355.07980	6.8
356.07486	1.8
366.09589	2.6
368.07547	1.5
369.08374	1.6
382.09103	10.1
384.10703	38.8
397.05392	1.2
410.08344	0.6
428.09698	100.0
429.09958	0.6
436.60086	0.4
494.61389	0.4
530.16028	0.8
556.19031	1.1
574.15430	27.8
599.26874	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	2.8
55.05502	4.5
55.98192	0.8
56.05005	0.8
56.64890	0.6
57.03421	1.9
57.07055	1.3
59.04982	1.3
61.17791	0.6
67.05491	10.0
68.42018	0.6
69.03407	3.1
69.07055	8.9
70.02940	11.1
70.06581	7.4
71.04963	2.4
71.07355	0.9
71.54400	0.7
72.08142	7.9
73.02926	1.1
74.02441	3.6
79.05484	8.0
81.03410	3.7
81.06576	1.0
81.07040	17.4
82.06552	0.8
83.04955	2.1
83.07321	0.7
83.08593	1.7
84.04460	2.1
84.08126	4.7
85.02908	4.6
85.06522	3.6
86.06052	79.4
86.09695	4.0
87.00797	1.3
87.04429	1.2
88.03979	23.3
91.05463	12.6
93.07021	7.1
95.04941	4.7
95.08591	7.9
96.08112	6.4
97.02869	2.6
97.06512	6.9
98.06036	1.6
98.09678	11.6
99.04424	3.1
99.08068	1.7
100.07581	1.4
103.03909	1.1
103.05434	1.3
104.10706	2.1
105.01812	1.1
105.07011	10.5
105.11046	0.9
107.04936	2.0
107.08593	5.3
108.08096	1.1
109.02857	1.9
109.06503	3.4
109.10125	4.0
111.04381	0.9
111.08034	2.6
112.07587	0.8
113.05981	1.3
115.07545	0.7
116.03439	3.0
116.10711	83.0
117.03338	0.7
117.06985	1.1
119.04919	1.7
119.08553	10.7
120.08070	1.6
121.06516	1.3
121.10119	3.9
121.40784	0.7
122.06017	1.9
122.09625	1.2
122.10458	0.9
123.04417	0.9
123.08012	1.2
123.11671	3.1
124.07584	2.0
125.05959	1.8
125.09563	1.1
127.03931	4.5
128.06186	0.8
129.07022	4.1
129.10109	0.9
130.08600	0.8
131.04974	0.7
131.08531	3.6
133.06447	1.5
133.10118	5.4
134.04456	9.0
135.08029	0.9
135.11630	2.4
136.07556	1.5
137.02379	0.6
137.05940	4.4
137.09557	0.9
137.13161	0.8
138.09059	0.9
139.11128	0.9
140.07028	2.1
140.10637	1.4
142.07716	0.8
142.08627	7.1
145.02789	1.1
145.04880	1.2
145.10083	3.1
147.04404	1.9
147.07932	1.5
147.11661	15.7
148.07536	2.1
149.09612	3.2
149.13206	1.4
151.07498	1.4
151.11116	1.2
152.10638	0.7
153.09056	0.8
155.14264	0.7
157.10101	7.7
158.11768	1.3
159.11609	1.3
161.05916	0.6
161.09575	1.2
163.07565	0.8
163.11192	1.0
164.07071	0.7
165.08995	1.3
165.12733	2.6
167.07016	2.7
173.13161	1.2
175.03857	1.2
175.11160	10.4
175.14812	1.0
177.05431	1.7
178.04951	1.5
179.07069	0.9
184.07327	1.6
187.11131	1.3
189.03539	0.7
189.12724	1.0
193.12215	7.6
201.12456	1.0
207.06497	1.8
208.06776	0.9
212.16418	10.2
213.12723	0.7
230.17438	5.2
230.85963	0.7
244.15430	1.5
262.14359	3.6
280.15378	2.5
287.13766	3.8
290.21262	1.3
307.18896	1.1
307.26202	1.5
308.15027	1.3
308.22244	5.3
326.16162	1.0
326.23227	6.0
356.20477	1.4
374.21841	1.2
423.24765	3.4
441.25864	22.5
459.26929	100.0
460.27283	2.3
555.32715	7.8
573.34741	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	573.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93293	0.6
53.03936	4.9
55.01865	4.8
55.05499	16.3
55.15411	0.5
57.03428	6.4
57.07062	6.8
57.52303	0.7
59.04993	2.7
61.02906	2.6
61.57232	0.6
64.77274	0.6
65.03940	1.2
67.05493	19.3
68.99779	2.0
69.03416	26.2
69.07055	100.0
69.97685	0.8
69.97996	3.8
70.02934	1.1
70.06575	2.2
70.07393	1.4
71.01353	0.8
71.04977	8.5
71.08624	1.2
73.02904	4.2
73.39876	0.6
77.84478	0.6
79.05476	9.8
81.02908	0.8
81.03055	0.5
81.03402	28.4
81.07040	56.3
82.07385	1.7
83.04980	5.0
83.08601	13.3
84.08128	0.7
85.02891	39.1
85.06525	9.0
86.06048	6.9
87.00814	13.0
87.04465	2.4
88.03983	2.6
89.05998	0.7
91.05460	9.6
93.07025	22.7
94.07340	1.0
95.04955	9.3
95.08588	42.3
97.02873	12.5
97.06516	7.9
97.10146	4.4
98.09702	1.7
98.21416	0.8
99.04441	12.9
99.08073	7.3
101.02380	0.7
101.06010	2.9
103.03944	1.3
103.05432	0.9
105.01846	9.4
105.07011	21.9
106.07338	0.9
107.04956	2.4
107.08575	18.8
109.02856	21.5
109.06495	6.1
109.10137	31.0
111.04446	2.0
111.08053	5.5
111.11700	23.6
113.05951	0.9
113.09617	0.9
115.03909	1.2
115.05449	0.7
116.10714	6.9
117.01839	1.6
117.06989	3.4
119.08555	12.6
121.06466	3.5
121.10123	17.1
122.06004	0.9
122.10466	1.1
123.04407	1.0
123.08060	4.7
123.10799	1.5
123.11682	25.6
123.12561	1.3
124.07626	1.2
124.12061	1.0
125.05996	1.9
125.09621	2.9
125.13264	0.8
127.03896	34.2
127.11167	5.9
129.01830	2.1
129.05470	0.8
129.06966	1.1
129.12772	1.6
130.07813	0.9
131.08540	4.9
132.08038	0.7
133.06493	1.9
133.10106	12.6
133.11066	1.1
135.08047	2.9
135.11676	11.0
137.02394	0.7
137.05984	2.0
137.09587	5.5
137.13205	5.9
139.07567	0.9
139.10075	1.5
139.11150	26.3
141.06998	1.1
141.12730	1.0
142.07791	1.0
143.08562	2.8
145.04973	6.9
145.06442	1.1
145.10080	6.7
147.08083	1.1
147.11656	8.3
148.07570	0.7
149.05974	1.1
149.09616	2.6
149.13228	9.9
151.07541	2.1
151.11166	3.4
151.14803	7.2
153.12717	3.2
155.08522	0.9
155.10670	2.3
157.10165	2.3
157.12218	9.5
159.02841	4.7
159.08063	1.7
159.11693	6.6
161.09598	8.1
161.13216	9.0
162.07661	1.1
163.11157	5.6
163.14806	4.5
165.09164	1.2
165.12708	6.2
167.07071	1.4
167.10686	1.0
167.14281	3.6
169.10164	1.6
169.12213	1.0
169.15916	1.0
171.07999	1.0
171.11642	1.7
173.09608	1.8
173.11818	1.5
173.13152	4.8
175.11156	1.7
175.14766	3.2
177.12817	2.0
177.16422	2.1
178.04955	11.0
179.10577	3.9
179.14290	6.3
181.12177	0.8
183.11761	1.3
183.13847	1.0
185.09673	0.8
187.05943	0.8
187.11211	1.4
187.14795	1.6
189.03943	0.9
189.09134	2.1
189.12689	1.5
189.16408	2.1
191.03427	0.8
191.10577	1.0
191.14310	1.0
191.17982	2.1
193.12199	0.8
193.15959	1.1
195.11739	1.5
195.13727	1.0
199.14706	0.9
201.12691	1.1
201.16437	1.5
203.14357	0.8
203.18022	2.0
205.15979	1.3
206.04442	18.8
207.10165	1.1
207.17516	0.9
209.15477	0.7
209.19101	1.6
213.03876	4.1
213.12772	1.5
215.14359	0.9
215.17990	1.5
219.17508	2.3
223.17012	0.7
227.14246	0.9
231.04988	4.5
233.19017	1.1
237.18561	2.4
241.16087	0.8
245.15642	0.8
249.06076	0.9
251.20131	2.8
263.23773	1.3
271.24228	2.3
277.22305	0.6
277.25305	3.0
283.14462	0.9
287.23752	0.8
289.25305	11.7
290.24243	0.9
295.26306	13.0
305.24750	0.7
307.26245	81.8
308.26608	2.1
310.12863	0.8
311.13791	4.0
325.27316	15.5
325.30951	1.1
350.27982	0.9
397.27438	1.7
415.28238	3.8
433.29514	2.8
443.27502	3.3
451.30588	0.9
459.27081	3.9
501.28592	1.1
511.32904	1.6
519.29248	3.1
537.30487	3.4
555.31567	7.1
573.32751	1.4
574.19415	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3023
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
52.01091	0.6
55.05503	4.3
57.03426	3.6
57.07062	26.2
59.04978	1.3
63.68482	0.7
67.05477	8.0
67.31582	0.7
67.99115	0.7
69.03396	0.8
69.07064	5.9
71.08233	1.3
71.08615	19.1
71.52979	1.2
73.02891	0.9
79.05475	2.3
81.03404	3.5
81.07043	9.3
83.08596	6.8
85.02886	1.0
85.10161	11.8
86.89573	0.8
87.04440	1.7
89.06017	3.1
91.05448	1.3
93.07007	2.4
95.08588	14.0
97.10152	3.4
98.98444	21.6
99.04368	1.0
107.08588	2.0
109.02859	3.2
109.10136	6.7
111.11748	0.9
119.08540	1.1
121.10114	1.8
121.82427	0.8
123.11703	2.5
127.41227	0.8
133.08585	1.6
135.11624	1.3
140.01077	0.9
147.11584	1.1
155.01010	18.6
173.02019	1.6
239.23663	4.4
261.03674	1.3
313.27295	100.0
314.27719	2.8
317.06311	3.0
335.07272	1.7
384.24545	2.3
393.23950	3.9
401.28848	3.4
537.27966	3.3
573.21576	2.6
573.40161	1.2
573.48456	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	572.4359
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14738	0.6
55.05501	2.2
57.07066	52.4
57.33009	0.6
59.04990	16.2
59.21310	0.5
59.56143	0.5
59.91528	0.5
61.77499	0.6
66.09415	0.6
67.05504	1.3
69.03420	0.9
69.07054	3.0
71.08620	96.9
71.52899	1.0
72.14475	0.5
73.06548	2.9
73.30382	0.5
75.07155	0.6
79.05453	1.0
81.07035	1.0
83.08611	2.1
84.08110	0.9
85.10171	52.8
87.04453	10.0
89.06017	100.0
91.05461	0.6
92.85437	0.6
95.08600	1.2
97.10147	1.8
103.07555	5.4
107.07029	3.5
107.08611	0.8
111.11697	0.7
117.09135	2.7
127.14809	7.1
130.08617	4.9
131.07042	4.9
131.10638	0.9
133.08580	81.1
135.10159	0.8
141.16353	1.2
159.10057	0.5
161.11583	0.8
168.14713	0.6
175.09654	4.7
177.11192	39.1
185.18987	12.7
219.12206	1.9
221.13835	7.5
229.21588	6.9
239.14822	2.9
265.16388	1.7
267.17902	0.6
283.17474	5.8
309.18875	0.9
313.27301	0.8
317.55362	0.6
323.20621	0.6
327.20050	4.7
353.21494	2.4
371.22690	28.7
411.25818	3.0
415.24976	2.3
429.26764	1.4
482.26044	0.7
503.97968	0.6
555.40869	9.6
572.34515	1.6
572.43420	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	573.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05598	0.3
53.03923	1.4
53.78725	0.3
55.01862	1.9
55.05465	0.5
57.03418	1.9
59.04970	0.4
61.02916	0.5
67.05473	0.4
69.03420	12.9
69.03801	0.7
69.07038	0.4
70.06313	0.3
70.06582	3.4
70.88809	0.4
70.89136	0.9
71.01333	0.8
71.04644	0.4
71.04981	4.5
72.08113	1.2
73.02893	1.3
79.05467	0.4
81.03405	13.6
81.07028	0.7
84.04469	1.1
84.08139	1.7
85.02902	1.8
85.06530	0.4
86.09694	1.9
87.00803	0.6
87.04427	0.4
88.02198	0.5
90.25419	0.4
91.05481	0.9
93.07011	0.9
95.04940	0.5
97.02868	0.7
99.03817	0.6
99.04433	6.4
100.07605	0.3
107.08538	0.5
109.02855	0.9
110.07143	0.7
111.08095	0.3
115.08639	0.3
116.07047	0.6
117.05478	1.6
118.06508	1.7
119.04942	0.3
119.08585	0.4
120.08090	0.6
121.10174	0.5
122.05993	0.7
123.11632	0.4
124.07545	2.2
127.03888	0.8
129.10193	0.6
133.06532	0.4
136.07497	0.4
137.05951	0.8
145.07574	3.3
147.04434	0.7
147.09142	10.1
150.05489	0.5
159.09151	0.5
162.07837	0.6
163.08673	0.9
173.07097	7.4
175.08643	6.4
177.05457	0.6
187.08638	0.5
189.10240	0.6
191.08122	100.0
192.08420	0.6
200.83495	0.4
203.08180	0.5
205.09691	0.8
215.11749	0.6
231.11378	0.4
233.09189	1.3
239.09056	0.5
243.11200	0.4
271.10687	0.6
281.14865	3.1
289.11789	1.9
307.12823	24.4
325.13882	98.4
326.14157	1.2
350.13431	0.4
379.18497	1.1
394.12424	0.8
397.19730	0.5
443.20074	0.6
487.19339	0.7
531.32507	0.4
555.18018	0.7
573.18909	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.2
55.01855	1.5
57.03434	1.5
59.04978	0.5
59.88505	0.3
61.02915	0.7
61.22525	0.3
66.79968	0.3
69.03419	12.6
69.07022	0.3
69.59301	0.6
69.59710	1.4
70.06564	1.7
71.01336	0.6
71.04601	0.3
71.04986	3.8
72.08121	0.7
73.02905	0.9
79.05478	0.4
81.03403	15.4
81.07025	0.8
84.04465	0.5
84.08121	1.1
84.65501	0.3
85.02892	1.8
86.09679	1.3
87.00813	0.5
87.04449	0.2
90.28313	0.2
91.05452	0.5
95.08572	0.4
97.02861	0.7
99.03837	0.4
99.04439	6.3
99.44233	0.3
101.08335	0.2
105.01875	0.2
105.07017	0.6
107.08553	0.3
109.02856	0.9
117.05458	1.6
118.06514	2.2
119.08543	0.5
120.08073	0.5
121.10202	0.4
122.05994	0.5
127.03886	0.9
136.07561	0.6
137.05948	0.6
145.04878	0.3
145.07597	3.1
147.08028	0.4
147.09129	5.2
149.09514	0.3
159.02866	0.6
162.07832	0.5
163.08661	0.8
164.06992	0.7
173.07077	7.9
175.08647	7.2
187.08737	0.3
191.08119	100.0
192.08450	1.0
203.08153	0.5
205.09621	0.9
213.10141	0.9
215.11818	0.6
231.11327	0.6
233.09148	1.4
247.16779	0.4
255.90643	0.3
263.16168	0.4
271.10687	0.3
289.11813	1.6
307.12833	24.1
308.13040	0.5
325.13873	90.6
326.14090	1.1
337.92447	0.3
373.94016	0.3
414.13977	0.4
573.23102	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	10.5
55.01859	9.2
55.05508	25.7
57.03419	7.5
57.07073	33.6
59.04982	13.3
67.05487	100.0
68.06357	5.0
69.03422	47.0
69.07059	24.7
71.04998	8.2
71.08617	37.4
71.53698	10.0
73.02921	4.3
79.05477	60.4
81.03403	72.6
81.03853	7.5
81.07040	94.4
83.04955	9.7
83.08612	15.1
85.02888	32.9
85.06528	5.6
85.10168	23.9
87.04462	23.9
87.57045	4.0
89.06007	11.6
89.51765	4.8
91.05463	51.8
92.85744	5.0
93.07037	67.2
95.04955	19.6
95.08593	60.4
97.02872	40.1
97.06512	5.6
97.10125	10.0
99.04420	7.4
101.71968	4.8
105.07009	40.5
107.08570	52.5
109.02864	20.2
109.06454	5.1
109.10138	60.1
111.04430	7.2
111.08080	6.6
117.07005	19.8
119.08550	32.3
121.10109	45.0
123.08029	6.4
123.11674	16.6
127.03886	15.1
129.05489	6.5
129.06979	13.2
130.08629	18.0
131.08539	33.3
133.10060	23.0
135.11681	26.4
137.09566	6.6
143.08568	11.5
145.04909	6.7
145.10091	25.5
147.11652	17.1
149.09570	9.1
149.13237	16.7
153.68925	4.3
155.08432	6.1
157.10088	11.7
159.11668	21.2
161.13216	14.2
163.14798	7.4
169.10204	7.0
171.11652	9.8
173.11818	6.2
173.13228	19.2
175.14694	7.3
177.16452	5.5
185.13205	6.3
187.14844	9.3
188.14001	4.3
193.20799	4.6
197.13258	6.8
199.14832	5.0
199.20589	4.6
208.93381	5.1
215.14081	5.4
223.14627	4.8
243.21114	9.6
257.24774	5.4
259.20538	7.9
261.22116	26.7
277.14484	7.2
277.21548	7.4
277.45840	4.7
279.23413	6.0
289.21619	6.7
291.23212	10.9
303.23041	17.7
369.24002	36.0
383.24197	34.4
387.25266	33.8
405.26230	41.4
423.27380	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	572.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	5.6
55.01854	4.5
55.05492	17.9
57.03407	2.7
57.07055	6.9
58.33462	2.6
60.04237	2.2
62.41534	2.1
65.03902	2.8
67.05489	28.5
68.49326	2.0
69.03415	17.8
69.07056	22.6
69.49792	3.4
69.50198	15.4
70.06567	2.4
71.04980	4.3
71.08620	3.3
73.02914	2.9
79.05480	19.4
81.03387	12.2
81.06577	4.3
81.07040	58.9
83.04960	5.6
83.08598	19.9
84.08125	2.7
85.02890	42.5
87.00822	19.7
89.05999	2.5
91.05457	20.9
93.07027	40.1
95.04933	5.5
95.08588	80.0
97.02858	21.8
97.10145	17.1
98.21519	4.4
99.04416	8.5
103.05408	4.0
105.01846	33.2
105.07009	47.4
107.08572	55.7
109.02859	17.9
109.10139	54.3
111.04437	3.1
111.08086	2.3
111.11737	3.6
113.38364	2.2
115.03872	2.9
117.07005	7.2
119.08559	91.3
121.09306	4.0
121.10122	39.6
123.11668	18.0
127.03892	38.1
129.10258	2.5
130.08629	8.1
131.04884	13.7
131.08534	20.3
132.05254	3.7
133.08565	4.7
133.10101	63.4
135.11636	17.6
137.13271	3.4
143.08493	3.1
145.04938	22.9
145.10103	41.0
147.08110	2.1
147.11659	74.8
149.09613	3.0
149.13234	17.9
153.87445	2.6
159.02861	9.3
159.11667	40.9
161.13214	36.6
163.14786	21.7
173.13255	18.6
175.14792	17.4
177.16260	7.6
185.13191	2.1
187.14778	18.8
189.16350	75.1
189.18098	3.7
191.17915	5.7
191.41261	2.4
201.16341	22.7
203.17892	7.1
204.13803	7.1
207.17410	4.1
213.16295	2.7
215.17917	24.5
229.19470	5.4
231.04893	18.3
249.05971	12.1
271.24158	100.0
284.09592	4.5
289.25064	6.1
437.21451	3.1
554.32770	4.4
572.31982	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	572.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.9
55.01859	2.7
55.05499	2.8
57.03418	2.3
61.02937	1.1
63.46820	1.0
67.05480	4.4
68.63914	0.9
68.85624	1.0
69.03414	5.6
69.07047	1.8
70.06572	13.1
70.70716	2.7
71.04973	3.8
72.08135	5.0
73.02895	1.8
73.79719	1.1
79.05466	4.5
81.03411	6.9
81.07034	6.5
82.06550	1.6
83.04958	3.1
83.08569	1.6
84.04477	1.7
84.08132	6.3
85.02892	9.4
85.06536	1.4
86.09693	6.0
91.05463	11.1
91.13285	0.9
93.07018	6.3
94.04160	1.0
95.04958	6.5
95.08573	2.7
97.02876	7.2
97.06521	1.3
99.04426	2.8
99.08054	2.0
102.05482	1.2
103.05435	4.2
105.07005	10.0
107.04949	5.4
107.08587	2.6
109.02880	5.0
109.06485	7.7
109.10146	3.5
111.04414	2.8
115.05424	2.9
117.03355	2.4
117.06984	1.4
119.04914	9.5
119.08545	3.3
120.08060	1.5
121.06490	6.2
121.10114	11.0
122.03626	3.1
123.08031	2.9
125.06008	1.7
127.03893	8.8
129.10187	1.1
130.04095	1.6
130.08607	2.3
131.04897	7.8
131.08452	1.3
133.06471	5.7
133.10109	5.7
134.03625	1.2
135.04387	1.5
135.08002	3.1
135.11659	1.1
136.07567	1.7
137.05952	100.0
137.09575	1.6
138.05444	1.8
138.06345	1.4
139.11176	2.2
140.07042	1.3
143.04886	2.3
145.02815	9.2
145.04895	2.1
145.06392	1.6
145.09990	1.2
146.03581	1.3
147.04379	13.0
147.08005	2.3
147.11653	2.3
149.05943	15.8
149.09621	1.4
149.13228	1.5
150.05510	1.1
150.06744	1.9
151.03874	4.2
151.07532	8.8
153.05424	3.3
153.09085	2.1
153.12843	1.1
156.06554	1.7
159.07832	1.3
160.05154	1.3
161.05951	72.2
162.06685	6.4
163.07550	9.5
165.07005	1.4
165.12706	1.5
167.06990	2.7
168.06534	1.2
169.06480	2.0
173.05959	1.3
173.11774	1.5
173.13200	3.8
174.06757	1.4
175.07507	11.8
177.05441	16.5
177.09010	3.3
179.07001	57.6
181.04926	1.9
181.06404	1.3
184.06033	2.7
187.07410	2.5
188.04672	2.7
189.09061	2.9
191.06976	7.0
191.14282	9.3
193.06467	3.6
193.08560	3.4
195.06502	2.3
197.06013	2.3
197.07874	1.4
201.05403	1.4
201.09033	1.8
203.06987	61.5
205.08577	2.9
207.06300	1.2
207.10086	2.9
209.07973	1.4
209.15350	7.1
210.06717	3.0
213.12227	1.5
215.07016	5.6
219.10106	1.3
221.05896	7.5
221.08051	21.4
224.08241	1.3
225.09042	8.1
227.07025	1.6
227.16460	5.1
229.08588	4.5
233.07977	12.2
237.09090	2.1
238.06075	1.2
245.08086	2.7
250.46126	1.2
251.06969	1.0
252.07762	2.0
253.08549	12.8
257.08066	7.3
261.52524	1.0
263.09088	2.1
265.08438	5.6
266.08878	1.3
267.10199	5.5
269.07968	1.5
270.08710	1.6
275.09192	4.9
277.08542	4.2
283.09644	2.7
285.11151	39.4
287.09253	1.7
295.09656	3.7
297.11191	12.9
299.12653	1.2
305.10153	2.8
307.09464	1.6
309.11142	5.0
323.11218	10.1
325.10663	8.8
327.12207	47.4
331.15030	2.6
339.12476	5.1
345.13248	23.7
357.13242	4.0
361.14886	2.0
365.11990	2.2
408.23877	1.2
435.14450	2.4
444.34579	1.2
453.15326	4.1
465.14923	1.2
471.16623	6.3
489.17422	4.3
501.16934	1.5
554.16852	3.0
572.26111	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	572.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	7.0
54.30762	1.6
55.01868	3.3
55.05506	11.5
57.03426	3.6
57.07067	3.4
67.05491	9.1
69.03419	15.4
69.07052	5.3
70.06579	16.7
71.04978	8.8
72.08129	2.9
73.02914	2.5
78.14677	1.8
79.05482	18.3
81.03400	22.8
81.07041	46.0
82.06576	2.0
83.04967	15.8
83.08611	8.9
84.04463	3.5
84.08117	5.6
85.02893	23.8
86.09703	8.7
87.00813	9.4
87.04460	3.1
88.02202	2.0
89.06004	2.6
91.05449	12.7
93.07021	13.8
95.04948	53.5
95.08591	12.8
97.02873	35.5
97.06519	7.8
98.72534	2.2
99.04434	13.7
103.05454	2.9
105.01839	12.7
105.07012	33.7
107.08571	31.5
108.04434	2.9
109.02869	15.6
109.06500	73.0
109.10117	17.2
111.08073	8.4
113.05942	2.3
113.09628	2.9
117.07005	4.9
119.08574	16.9
121.06488	5.5
121.10121	63.1
123.04411	2.9
123.08047	15.9
123.11707	10.2
125.09620	5.1
127.03889	37.8
129.01854	2.5
130.07739	2.3
131.04909	4.8
131.08568	15.9
133.06483	7.8
133.10104	58.9
135.08014	15.3
135.11673	6.3
136.07562	2.3
137.02310	2.1
137.05946	7.4
137.09630	2.3
139.11139	15.7
141.09068	2.4
143.08582	3.2
145.04927	10.9
145.10127	8.4
147.07994	3.0
147.11662	22.4
149.05936	3.7
149.09644	4.3
149.13258	17.7
151.07547	8.9
151.11188	11.9
153.09076	17.6
158.10907	5.9
159.02869	4.4
161.05949	10.8
163.14790	8.1
165.12717	15.6
167.07021	12.7
167.10515	2.1
167.14299	5.2
173.13239	42.5
175.07489	3.2
177.09082	99.0
191.14275	92.5
193.08580	55.5
193.10309	3.6
195.10158	4.2
203.06981	6.7
203.10822	2.6
203.14009	1.9
209.15324	100.0
210.15616	2.1
213.03996	2.5
219.10138	3.2
220.10625	2.8
221.11713	36.0
227.16371	32.7
231.04935	8.6
243.13420	2.2
244.27469	2.3
248.07599	3.7
249.06013	5.8
249.11150	2.4
266.08630	10.3
299.29245	2.2
306.18286	3.1
315.12091	2.0
375.18042	5.5
425.10223	2.5
426.10883	3.8
439.19507	5.2
457.20593	13.2
537.39722	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	571.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26767	1.2
52.57705	1.0
53.58206	1.0
55.05492	3.4
57.03413	4.5
57.07067	100.0
58.04209	6.5
59.04990	56.9
59.05433	1.6
63.80526	1.1
66.08338	1.1
67.05489	1.7
69.07056	5.9
71.08620	97.2
72.05755	4.2
73.02889	4.2
73.06528	3.2
73.70187	1.0
79.05486	2.2
81.07034	4.6
83.08608	6.4
84.59813	1.1
85.06529	1.3
85.10168	92.7
86.07297	3.1
87.04451	10.0
87.08067	3.8
88.05236	2.3
88.07638	1.2
89.06015	10.9
90.01901	29.8
91.05461	1.9
93.07020	2.7
95.08599	2.9
97.10139	3.9
99.11724	11.6
100.08827	2.5
101.05989	2.7
101.09624	8.2
102.05496	1.4
103.07552	4.8
105.06981	1.6
107.08585	2.2
108.77009	1.1
109.10138	2.2
111.11677	1.2
115.07542	1.8
116.08260	3.0
117.09120	15.6
118.98814	1.3
119.08565	1.5
133.08588	4.5
133.10126	1.3
135.10178	1.4
138.14011	3.0
141.16360	11.5
145.10136	1.7
147.10107	1.6
165.11208	1.9
169.15834	2.7
175.13336	1.5
177.11307	1.5
178.07141	4.0
181.98674	1.1
191.55597	1.2
193.14320	3.6
197.18811	1.2
198.19762	1.8
199.20532	25.2
222.09637	11.0
229.61636	1.3
234.90059	1.4
240.10793	3.2
240.23164	3.1
251.18468	2.4
257.24695	24.4
266.12125	1.7
273.24124	2.5
276.90979	3.2
280.20996	2.0
281.19443	2.1
298.14716	1.7
318.91803	1.6
331.92596	2.5
338.25378	2.2
356.19101	1.3
372.23108	1.7
420.36728	9.4
480.38940	1.8
530.88989	1.2
565.90771	6.5
571.40131	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	571.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49530	0.8
53.00301	0.8
55.05505	3.4
57.03428	3.3
57.07065	100.0
58.04211	5.4
59.04989	34.5
59.05294	1.3
60.56617	0.7
64.50943	0.7
67.05521	1.5
69.07065	4.1
69.31799	7.8
70.81177	0.7
71.08617	75.8
71.82610	0.8
72.05752	7.5
73.02908	4.7
73.06542	4.6
75.04467	1.3
79.05475	0.7
81.07050	3.2
82.07821	1.3
82.10312	0.9
83.08617	3.4
85.06516	1.0
85.10166	64.2
86.07336	2.3
87.04459	8.1
87.08112	2.3
88.05257	1.2
89.06007	10.9
90.01900	24.1
93.07092	0.9
95.08615	2.5
97.10158	4.3
99.08073	0.8
99.11716	13.0
101.06022	1.7
101.09648	3.0
103.07554	4.4
107.08585	1.3
109.10139	0.9
111.08044	0.8
111.11724	1.4
113.13277	4.9
115.07607	1.2
116.08337	2.3
117.09110	9.4
117.09885	0.7
131.07011	1.0
133.08630	3.3
135.10081	1.0
141.16342	1.0
145.08583	1.0
147.10188	0.8
147.56818	0.8
152.15619	3.2
155.17921	10.6
158.11856	0.9
161.11797	1.5
161.90250	0.8
166.75386	0.7
177.11261	0.8
178.07109	4.1
179.12827	2.4
183.17490	3.2
191.12723	1.0
194.13945	1.0
208.15443	1.4
209.13792	1.1
212.21408	1.7
213.22101	18.3
213.23967	1.0
222.09668	5.6
224.14894	1.2
237.16888	3.6
241.21672	1.3
254.24782	1.6
266.12250	3.7
266.19724	1.0
267.18097	2.5
270.25684	0.8
271.26297	8.1
276.91064	1.0
284.13309	5.8
294.22659	0.8
314.28174	1.0
324.23886	1.5
331.93045	1.0
342.17725	3.1
420.36682	8.5
426.47949	0.8
464.40128	1.1
480.38623	1.4
565.91406	2.2
571.40607	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	572.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00957	0.8
55.01864	7.7
55.05498	1.6
57.03423	6.1
57.50986	0.9
65.03933	1.2
67.05488	4.8
67.50739	1.0
69.03413	4.6
70.06581	1.1
71.01343	3.8
71.30825	1.0
71.31161	1.3
73.02898	12.1
75.04459	3.2
76.02219	1.9
79.05476	22.1
81.07035	7.6
83.01341	1.2
84.08158	1.6
85.01126	1.8
85.02890	15.5
86.00655	1.0
87.02660	1.0
88.03979	20.2
91.05463	38.7
93.03414	1.6
93.05505	2.1
93.07027	53.8
95.01304	8.7
95.04963	4.3
95.08589	12.4
97.01106	1.3
97.02856	2.3
99.00800	1.5
99.02678	2.3
101.02336	1.6
103.03947	1.4
103.05454	2.4
105.07000	10.2
107.04931	3.1
107.08572	53.1
109.06518	4.8
109.10110	5.3
111.02666	1.6
113.02348	10.9
115.05421	1.3
117.07010	11.6
119.08561	73.5
119.50624	1.0
120.08089	16.1
120.08913	1.4
121.10111	7.9
122.02717	6.9
125.04185	6.2
127.05746	16.5
127.43610	1.0
128.01579	1.1
129.05482	7.5
129.07002	4.1
131.03384	2.8
132.01138	2.9
135.08029	69.0
136.08412	1.3
137.09555	6.9
139.05765	1.8
141.01791	13.7
145.02795	1.6
147.04417	3.0
147.08018	39.0
149.06029	1.7
151.05728	6.0
153.07304	3.0
153.09085	3.2
159.02892	2.2
163.03854	2.2
165.09088	24.8
166.08565	7.2
167.05280	1.3
169.06773	1.3
171.06557	3.0
174.02161	1.7
177.05446	2.2
179.05215	1.9
181.06805	3.0
183.10118	7.9
197.06346	2.7
199.07845	10.6
201.53838	1.2
221.11684	4.5
227.12738	13.7
239.12762	8.2
240.10587	1.3
251.07455	1.2
256.09921	1.9
257.13803	7.9
268.10052	1.5
273.11505	23.5
286.11084	8.0
289.11108	1.5
291.12735	2.4
311.11154	1.5
342.13391	2.4
360.14694	1.9
361.13031	2.8
378.15741	96.2
379.16119	2.9
397.14978	1.3
449.15283	1.5
536.18176	3.1
554.18921	100.0
555.18976	3.7
572.19867	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	571.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.1
55.01860	6.4
55.05501	18.1
57.03423	5.5
57.07076	6.4
59.04979	2.5
61.02910	3.2
65.03927	2.7
67.05496	29.0
68.99773	1.6
69.03421	26.2
69.07056	36.0
69.36353	11.2
70.06570	5.9
71.01351	1.3
71.04984	14.8
73.02905	4.3
79.05480	22.8
81.03402	22.4
81.07044	100.0
83.04951	7.3
83.08601	8.8
84.04488	2.1
84.08110	3.7
85.02886	31.4
85.06521	12.9
86.09676	3.2
87.00805	9.3
87.04453	3.2
89.06001	1.6
91.05463	22.6
93.07028	74.1
94.07388	1.3
95.04952	52.9
95.08591	84.5
97.02870	13.6
97.06525	9.7
97.10155	6.6
98.20722	1.4
99.04428	9.4
99.08065	3.7
103.03923	3.8
103.05433	2.7
104.10735	1.2
105.01839	5.7
105.07006	33.0
107.04928	4.1
107.08578	33.7
109.02863	16.6
109.06514	10.5
109.10140	38.7
111.04449	3.1
111.08065	11.2
111.11694	4.7
113.09640	1.4
114.09216	1.3
117.06992	6.0
119.04914	2.2
119.08561	29.9
120.08082	2.6
121.02893	2.3
121.06499	7.7
121.09232	1.4
121.10125	40.7
123.04412	4.3
123.08051	6.3
123.11684	42.8
124.07552	1.5
125.02437	1.5
125.05977	1.5
125.09615	6.9
127.03885	24.2
127.07563	1.9
127.11192	5.2
128.06131	1.6
129.07010	4.0
131.04901	2.1
131.08540	8.8
133.06494	2.8
133.08604	1.9
133.10124	17.3
135.08057	6.2
135.11673	16.9
137.05983	6.0
137.09607	8.4
137.13228	41.7
139.11145	9.4
141.09145	1.6
141.12717	5.6
143.08540	5.7
145.04945	4.6
145.06439	2.0
145.10115	15.8
147.02939	1.5
147.04381	2.5
147.08002	4.8
147.11674	25.9
149.09566	6.9
149.13222	14.9
151.11166	3.7
151.14810	1.6
153.07036	2.1
153.12698	4.4
155.08614	2.7
155.14244	2.3
157.06519	1.5
157.10095	9.6
159.02849	3.7
159.08034	3.4
159.11655	21.1
160.07585	1.6
161.05957	2.6
161.09581	4.9
161.13228	11.7
163.07515	2.6
163.11163	6.0
163.14815	3.3
165.09108	4.2
165.12744	14.6
167.07013	7.4
167.10635	8.0
169.10109	2.4
171.08038	1.8
171.11610	3.8
173.09534	3.0
173.13210	12.8
175.11182	3.1
175.14722	7.7
177.05342	1.6
177.09122	1.9
177.12732	3.9
177.16367	2.0
179.14336	2.2
183.08070	2.3
183.11557	2.5
183.13811	4.2
185.13261	4.0
187.05936	2.3
187.11174	2.5
187.14830	5.5
189.12787	2.2
189.16385	5.4
191.14331	2.2
191.17848	3.8
193.12193	1.5
193.16016	1.8
195.11697	1.8
199.11266	1.7
199.13185	1.4
199.14812	6.0
201.09065	4.5
201.12997	1.5
201.14792	3.7
201.16374	9.0
203.17946	6.0
205.15913	1.8
209.13261	1.6
209.15215	1.9
213.03867	9.1
213.12743	3.1
213.16368	9.8
215.17865	1.9
217.15919	1.7
217.19600	2.6
219.21094	2.0
227.18039	1.9
229.19478	2.6
231.04872	4.3
231.17444	2.8
233.18948	1.6
235.20486	1.4
237.18588	2.7
243.20979	2.7
249.18567	1.6
259.24173	2.8
266.29446	1.4
269.22589	11.7
275.23639	3.1
277.25287	4.7
285.21957	2.1
287.23630	31.5
293.24661	3.8
303.23230	6.0
305.21295	1.8
305.24658	39.3
315.23019	2.5
323.25702	15.6
332.06888	1.6
373.23392	1.9
391.24768	9.5
395.25610	3.3
401.26654	3.1
409.25839	9.9
412.77695	1.5
413.26874	4.4
431.27853	8.3
512.79547	1.6
517.28027	3.4
535.28870	8.7
540.19983	1.9
553.29999	5.5
571.30835	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	571.274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33986	0.5
51.60379	0.4
53.03933	1.0
55.01846	1.3
55.05494	7.0
57.03422	1.6
57.07069	2.3
59.04988	0.8
61.02904	0.7
62.72020	0.4
65.03915	0.5
67.05486	8.1
68.99781	0.5
69.03410	5.2
69.06667	0.6
69.07047	11.3
70.06577	1.1
71.04971	1.8
71.55285	0.7
73.02892	1.6
73.06522	0.5
77.03873	0.4
79.05479	5.1
81.03398	4.8
81.07039	19.6
83.04960	13.1
83.08606	3.2
84.08120	0.8
85.02885	9.5
85.06525	4.3
86.09685	1.0
87.00798	2.8
87.04446	0.6
87.45926	0.4
89.06023	0.7
91.05453	6.5
93.07021	15.2
93.07614	0.7
95.04939	2.4
95.08586	20.4
97.02856	4.0
97.06508	3.0
97.10162	1.1
99.04473	2.9
99.08060	1.9
101.05995	4.8
103.05457	1.0
105.01838	2.1
105.07006	14.2
107.04921	1.2
107.08566	18.8
109.02851	3.7
109.06471	2.9
109.10132	12.9
110.10564	0.5
111.04469	1.0
111.08055	5.3
113.05966	3.6
115.05428	0.7
115.79555	0.4
117.01778	0.6
117.06999	3.0
119.08553	17.0
121.06486	1.2
121.10117	29.3
123.04405	0.6
123.08045	2.6
123.11677	22.0
125.05995	0.8
125.09566	3.1
127.03873	6.1
127.07510	0.7
129.01833	0.6
129.06932	1.6
130.05016	0.5
130.07770	0.6
131.08539	9.6
132.73711	0.4
133.10100	38.7
135.08022	1.4
135.11661	9.4
137.06010	0.7
137.09612	3.6
137.13234	1.8
139.07494	0.9
139.11110	2.9
141.09093	0.5
142.07753	0.7
143.06999	14.5
143.08565	3.5
144.09317	1.0
145.04964	1.6
145.10092	26.4
147.04372	0.6
147.08026	1.0
147.10471	0.9
147.11649	17.8
148.11917	0.6
149.09602	3.4
149.13222	4.2
151.11137	1.2
153.12744	0.8
155.10619	0.8
156.09296	1.6
157.08759	0.8
157.10075	8.3
158.10881	2.6
159.02878	2.8
159.11652	29.0
160.12044	0.6
161.09554	1.0
161.13208	4.0
163.11156	1.2
163.14830	2.4
165.09105	1.1
165.12692	1.4
167.07014	2.4
167.10646	8.1
169.08542	2.0
169.09990	0.8
170.10805	2.2
171.11618	8.3
172.12433	8.7
173.09618	0.6
173.13222	23.6
175.11150	0.8
175.14789	3.5
177.05431	0.7
177.12744	1.0
177.16347	1.3
179.10626	0.7
179.14197	0.6
181.12212	1.4
183.10162	3.0
183.11620	0.8
185.11674	7.1
185.13237	11.4
186.13901	0.5
187.14778	100.0
188.15503	6.2
189.09073	0.6
189.12767	0.8
189.16345	4.4
191.14128	0.6
193.12209	0.7
195.10155	0.7
196.12466	0.5
197.13222	0.8
199.11118	0.7
199.14764	5.7
201.12698	0.8
201.16348	1.7
203.14214	0.6
203.17682	0.5
205.12344	0.5
205.15840	3.5
207.13721	0.9
209.13330	0.5
210.86586	0.4
211.14748	1.7
212.15529	0.6
213.03860	0.9
213.12775	0.8
213.16333	2.3
213.18217	0.5
215.14317	2.3
215.17938	1.1
217.12161	0.6
217.15753	0.7
226.16936	0.5
227.14224	1.2
227.18019	0.7
229.19519	0.5
231.04881	0.8
231.13768	2.6
233.15430	0.5
239.17937	0.7
241.19464	11.3
243.17342	0.6
243.21051	0.9
245.15306	2.9
247.16856	0.5
251.17821	1.0
259.20560	3.4
269.18967	7.5
275.20038	0.8
277.21619	0.6
287.19995	43.7
305.21051	44.4
305.24463	2.7
306.21286	0.8
323.22095	40.9
323.25363	1.4
324.22565	0.6
471.70108	0.5
494.97839	0.4
571.32159	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.4564
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21994	0.6
55.05499	2.2
57.03435	1.9
57.07064	100.0
58.07386	0.8
59.04988	45.8
69.07043	1.8
70.78413	1.6
70.78785	1.4
71.08617	97.2
73.06513	1.1
81.07039	1.5
83.08591	3.0
85.10165	93.7
86.10531	1.3
87.04450	4.1
87.08082	1.2
89.06012	49.2
95.08598	0.9
96.28059	0.7
97.06502	0.9
97.10150	1.6
99.11716	11.2
100.07594	0.9
101.05978	1.4
101.09639	4.8
101.89232	0.7
103.07565	2.8
107.07006	1.8
111.11740	0.9
117.09106	14.8
130.08664	1.1
131.06978	1.3
133.08578	42.0
141.16348	13.5
141.61911	0.7
146.08133	1.0
147.10095	1.4
155.17827	0.6
161.11682	1.3
166.65784	0.7
175.09520	1.2
177.11206	12.9
191.12738	2.0
195.12257	1.3
199.20525	36.9
200.20792	1.1
221.13716	4.3
239.14828	14.3
240.23180	2.0
248.85878	0.7
257.24689	39.7
258.24994	0.9
279.17944	3.3
283.17447	1.1
297.19034	8.7
315.28748	1.2
327.19879	1.2
337.22067	2.5
355.23065	3.0
355.26947	0.8
369.78046	0.8
371.22656	8.6
395.26105	1.6
553.43182	4.6
565.91132	0.7
570.45941	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	570.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	3.4
57.07063	100.0
59.04987	14.2
61.71185	0.8
67.05498	1.4
69.07047	5.2
71.08616	81.6
71.54432	0.9
73.02892	2.4
73.06517	3.6
79.05493	0.8
81.07037	1.8
83.08585	3.5
85.10165	66.0
85.47157	0.9
87.04450	12.9
87.44633	0.8
89.06011	74.5
92.86454	0.8
93.07028	0.9
97.10152	5.1
99.11711	11.7
101.09634	0.9
103.03920	48.3
103.07568	5.1
105.07005	0.9
107.07048	4.2
109.10081	0.9
111.11691	3.1
113.06006	0.8
113.13239	6.2
117.09094	5.0
121.08582	1.8
125.13227	1.3
127.14802	1.9
130.08640	4.1
131.07034	4.6
133.08568	52.1
137.00439	0.8
141.16399	0.9
147.06482	8.4
147.10143	0.9
149.05939	1.9
155.17896	6.8
161.11642	1.2
163.09627	1.5
175.09656	3.1
177.11168	21.9
183.20956	1.3
191.09129	6.5
195.54140	0.9
199.20493	1.9
207.12236	2.8
213.22098	7.5
221.13789	4.9
227.23605	1.2
235.11723	8.5
239.14842	2.9
257.24707	4.7
265.16492	1.4
271.26193	4.7
276.90961	1.3
279.14487	2.1
283.17462	3.9
295.17249	1.4
297.15329	1.9
313.18478	2.1
315.28827	5.7
323.16922	4.0
327.20050	3.2
341.18021	16.3
371.22607	11.3
381.21005	1.2
553.43188	19.5
565.90796	1.8
570.41687	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	570.4562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	1.7
57.07064	100.0
57.37929	0.6
58.07404	0.9
59.04988	24.2
69.07063	2.3
69.18813	3.6
69.19241	3.7
71.08617	71.5
83.08605	2.0
85.10165	65.2
86.10506	0.7
87.04461	2.9
89.06013	47.4
89.53745	0.8
92.15872	0.6
97.10179	2.4
99.11713	14.2
99.12315	1.0
101.06049	0.7
101.09666	2.5
103.07570	1.3
107.07028	1.4
112.85058	0.6
113.13254	5.1
117.09125	4.9
130.08638	1.2
131.07007	1.6
133.08574	35.4
141.16245	0.7
145.08585	0.9
147.10172	1.9
155.17894	10.7
175.09677	1.8
177.11195	22.1
177.12640	1.4
191.12839	1.2
195.12372	0.8
200.24780	0.7
213.22079	26.8
219.12262	1.4
221.13939	2.2
239.14919	1.9
254.24907	1.0
263.15030	0.7
265.16568	1.7
271.26266	13.6
283.17444	21.8
284.18237	0.7
323.20557	3.6
327.20407	0.8
341.21661	9.4
371.22708	3.9
381.25055	2.6
553.43048	4.7
570.39569	2.0
570.46100	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	570.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	3.3
57.03426	1.7
57.07065	92.4
59.04988	27.8
67.05471	4.7
69.07058	6.0
69.39027	3.8
69.39446	6.3
71.08617	100.0
73.06520	2.2
79.05474	2.5
81.03381	1.0
81.07031	4.8
83.08585	4.8
84.08105	1.9
85.10165	87.0
87.04458	10.1
87.08153	1.0
89.05473	2.0
89.06013	31.9
91.05430	2.0
93.07027	3.8
95.08569	3.4
97.10128	1.5
98.21212	5.1
99.11711	11.9
101.09628	2.5
103.03924	48.7
103.07540	2.6
105.07010	2.5
107.07086	1.2
107.08551	1.2
109.10111	1.6
113.13266	1.4
117.09108	8.0
119.08586	1.6
121.08538	1.4
121.10159	1.3
130.08589	3.6
131.07007	3.9
133.08578	23.0
133.10078	1.5
141.16351	10.5
147.06525	8.2
147.10135	1.2
163.09665	1.6
175.09724	1.9
177.11185	8.8
191.09102	9.1
199.18816	2.0
199.20534	30.1
207.12184	2.6
209.10170	1.3
213.22086	2.1
221.13708	1.7
235.11716	4.9
235.78943	1.1
237.13219	1.1
239.14752	1.8
240.23131	3.6
251.14972	1.7
257.24713	16.2
257.99942	1.2
264.02701	1.1
269.15842	3.0
279.14319	4.7
283.17340	1.6
295.88046	1.0
297.15372	14.9
327.20135	1.8
337.18570	2.2
355.19513	5.7
371.22833	3.9
405.26367	1.2
494.29395	1.4
532.98505	1.4
553.42218	4.3
565.90686	3.4
570.41797	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	570.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.5
55.01870	8.6
55.05493	8.5
56.05009	2.3
57.03426	8.7
59.04996	1.8
61.02906	3.9
65.03900	1.3
65.33295	1.4
66.66698	1.4
67.05489	21.6
69.03423	31.7
69.05520	1.5
69.07059	14.8
70.06580	12.4
71.04974	8.3
71.52428	3.2
72.08126	2.7
73.02890	4.4
79.05481	13.0
80.84185	1.6
81.03401	29.3
81.07043	65.1
82.02400	1.8
83.01270	2.0
83.04977	8.6
83.08605	7.9
84.04486	1.9
84.08121	7.2
85.02892	40.8
85.06535	4.8
86.06065	2.6
86.09693	6.7
88.03947	2.0
91.05463	27.1
91.32008	1.8
93.07030	16.4
95.04957	7.4
95.08585	23.8
96.04413	1.6
96.08923	3.4
97.02865	19.2
97.06506	6.6
97.10165	1.8
99.04468	11.4
99.08086	4.2
101.02342	2.7
104.05333	2.5
105.07017	38.0
107.04953	4.9
107.08572	20.3
108.04468	1.8
109.02860	22.9
109.06545	7.7
109.10146	7.9
110.06033	1.9
110.07132	2.5
111.04421	2.5
111.08053	3.7
116.07117	2.0
117.06954	2.2
119.08560	29.7
120.08116	3.9
121.06519	2.7
121.10122	25.1
123.04392	3.2
123.08053	6.9
123.11697	35.4
125.09585	2.1
126.05508	1.9
127.03893	52.6
127.07535	3.1
129.06932	3.2
129.10226	2.4
130.04980	1.6
130.08611	4.5
131.08531	4.7
133.10106	7.4
135.04425	3.0
135.11662	4.8
137.05931	5.5
137.09605	2.7
137.13283	1.9
139.03877	4.6
143.08505	1.8
145.02826	1.9
145.04951	9.0
145.10072	7.5
147.04366	3.9
147.08022	2.5
147.11664	99.4
148.12009	3.0
149.09587	3.7
149.13232	2.2
151.07446	1.7
152.07019	7.2
154.05103	1.8
155.10695	2.0
157.10144	4.2
159.11661	2.9
161.05954	2.2
161.09619	2.5
163.11172	2.5
165.12729	55.2
167.07013	19.2
168.07329	2.2
175.11198	6.1
177.05420	5.3
180.08702	2.5
181.04984	4.1
183.13719	12.5
189.08957	1.9
191.10651	2.1
193.12192	10.6
198.07594	11.5
205.19569	1.8
207.06493	2.3
211.13254	7.2
223.20493	2.5
227.14481	1.9
229.14297	100.0
253.14557	1.8
265.70697	1.9
291.15961	2.0
301.14359	2.4
304.25845	2.4
309.16846	3.1
315.05054	2.2
319.15295	12.5
323.10260	3.0
337.16382	82.0
355.17413	57.0
373.18503	31.1
538.21582	2.7
570.22266	3.8
570.33173	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	569.4249
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07428	1.2
55.05493	2.6
57.07067	61.7
57.90818	1.4
59.04986	13.5
67.05482	1.2
67.42761	1.1
69.07043	2.2
69.28653	11.4
71.08618	57.9
73.06538	3.0
79.65036	1.1
81.07036	4.0
83.08601	3.2
83.26624	1.1
84.08104	2.0
85.10168	54.5
87.04458	12.0
89.06016	100.0
91.05494	1.7
93.07030	2.2
95.08601	1.6
98.21101	5.7
99.11703	6.4
103.07558	7.1
105.07033	1.4
106.01493	1.2
107.07049	4.8
109.01157	1.3
117.09135	2.1
118.96578	1.1
130.08618	5.1
131.07027	5.0
133.08577	69.0
141.16328	4.4
145.10051	1.3
149.05952	1.5
159.48006	1.2
161.13179	1.4
175.09639	2.4
177.11180	25.1
199.20535	3.8
221.13785	3.4
227.65390	1.3
239.14752	1.6
263.59872	1.3
304.30051	1.4
371.22806	6.9
429.80228	1.4
463.53305	1.4
480.20135	1.4
569.38660	1.7
570.34009	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	570.253
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73388	0.2
57.03409	0.6
68.14746	0.2
69.03422	0.3
70.69678	0.5
71.79443	0.2
73.02895	0.9
79.05505	0.2
85.02882	0.4
91.05454	0.9
97.02849	0.4
105.06990	0.6
105.84388	0.2
107.04911	0.7
115.05415	0.8
117.06973	0.6
119.04929	0.2
119.08495	0.3
121.06532	0.3
128.06175	1.1
129.06981	3.6
130.07748	0.3
131.04890	0.3
131.08533	4.4
133.06430	0.6
133.10071	0.4
137.05885	0.3
141.05986	0.3
141.06915	1.5
143.08496	1.4
144.05675	1.5
145.06454	1.5
145.10178	0.3
145.74178	0.2
146.07233	0.7
147.04347	0.4
147.08080	0.2
149.04459	0.4
153.06961	0.6
156.05649	0.3
157.05112	0.5
157.06415	2.3
158.07243	0.8
159.08018	9.3
161.09583	2.4
167.07034	0.6
169.06311	0.5
169.07610	0.8
170.07240	1.0
171.08008	2.0
172.05130	0.8
173.05916	1.0
173.09583	0.8
174.06677	0.4
175.06114	0.4
175.07503	1.2
178.06165	0.3
181.08588	0.6
181.54297	0.2
183.38058	0.3
187.07503	6.4
188.08449	0.3
189.09068	3.1
190.06154	0.5
192.07710	0.4
193.08551	0.3
198.06792	0.4
199.07524	0.8
201.09053	1.1
203.06996	0.9
204.07764	3.3
205.08502	0.7
206.09329	0.6
207.10098	0.4
216.07794	1.1
217.08548	0.5
218.09445	0.7
219.10124	2.8
221.11717	2.1
231.10133	2.4
233.11679	3.6
237.11156	0.5
248.75490	0.3
249.11165	100.0
250.11484	0.6
251.12700	4.9
253.08212	0.3
262.48267	0.2
267.12228	7.8
338.59598	0.2
343.17468	0.3
445.53531	0.2
459.07050	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	0.5
67.05484	0.3
67.73576	0.2
69.03416	0.7
69.07051	0.7
70.06561	0.3
71.04984	0.2
79.05492	0.3
81.03407	0.3
81.07030	0.6
83.04965	0.9
83.08614	0.4
84.04457	0.2
84.08118	0.2
85.02874	0.6
91.05463	0.6
93.07030	0.8
95.04947	0.3
95.08585	0.8
97.02886	0.3
97.10136	0.3
99.70815	0.2
103.05434	0.5
105.07028	0.6
107.08620	0.5
109.10156	1.3
109.78108	0.3
111.04419	0.6
119.08566	0.6
121.10138	0.5
131.04900	1.5
133.08655	0.2
147.11707	0.4
149.09650	0.4
168.25824	0.2
169.04590	0.3
171.11670	0.3
184.07295	0.5
185.04195	0.6
201.03568	0.4
205.88919	0.2
240.07445	0.2
259.07843	1.1
268.27481	0.3
275.07462	0.4
276.47153	0.2
331.09949	2.8
333.20325	0.2
345.11591	0.9
373.14804	0.3
387.16263	0.8
407.23874	1.5
427.19296	0.7
441.20856	3.5
443.22601	0.8
471.21832	0.4
477.24591	0.4
499.21616	1.7
506.43164	0.3
569.29218	100.0
570.29895	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.4015
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07054	0.5
59.04985	0.3
61.41245	0.2
67.05493	0.3
70.06572	0.3
71.03157	0.2
71.03484	0.5
71.08612	0.3
81.07030	0.3
81.95383	0.2
85.10168	0.3
98.33360	0.2
145.02815	0.3
146.08105	0.2
177.05467	0.5
178.05826	0.3
238.90088	0.2
285.29697	0.2
311.29318	0.3
312.29684	0.2
323.46301	0.2
338.62030	0.2
530.06317	0.2
568.56714	0.3
569.40125	100.0
570.40497	3.0
575.41003	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.4015
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.5
57.07058	2.0
59.04971	0.8
67.18145	0.5
69.07111	0.6
69.89845	0.9
69.90246	2.1
71.08608	1.7
73.53672	0.6
81.07044	0.8
85.10165	1.1
87.04443	0.6
88.07643	0.8
95.08583	0.9
98.21455	0.7
102.09172	0.6
109.10169	0.6
284.26584	0.8
284.29492	1.0
313.33026	0.7
330.31082	0.6
334.84924	0.6
345.27579	0.5
353.03809	0.6
412.83871	0.6
568.56915	0.8
569.40137	100.0
569.56696	4.4
570.41071	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	569.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87586	0.3
52.53432	0.4
61.63754	0.4
69.61723	2.8
78.69247	0.3
81.15778	0.3
94.92995	2.3
104.50076	0.4
150.95558	17.7
160.96103	0.4
166.95085	0.6
180.96574	2.5
208.96082	7.7
208.97908	0.3
226.86766	3.2
226.97144	100.0
227.97539	0.8
260.92841	0.4
365.10480	0.6
381.07840	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.5
59.04987	0.3
67.05492	0.3
69.03410	0.4
69.07055	0.5
70.06585	0.3
70.92651	0.7
73.02909	0.2
74.43131	0.2
79.05486	0.6
81.03423	0.5
81.07047	0.7
83.01107	0.4
83.04965	0.9
83.08601	0.7
84.08115	0.3
85.02902	0.5
86.09689	0.3
90.71323	0.2
91.05464	0.5
93.07030	0.9
95.01144	0.2
95.04958	0.3
95.08594	0.3
97.06510	0.2
105.07024	0.7
107.08600	0.8
109.10168	0.5
111.04433	0.6
119.08613	0.6
121.06558	0.3
121.10157	0.6
127.03912	0.3
133.10117	0.4
147.07957	0.3
147.11635	0.3
159.11746	0.2
161.09589	0.3
167.07089	0.4
184.03349	0.3
185.04199	0.9
201.03668	0.5
203.05191	1.3
259.07944	2.0
285.12134	0.3
291.84296	0.2
331.09927	2.1
333.20499	0.4
345.11502	0.4
354.58630	0.2
373.14764	0.3
387.16278	0.7
389.22690	0.4
407.23956	2.3
427.19217	0.4
441.20819	3.1
443.22583	1.1
471.22192	0.5
499.21567	1.3
569.29230	100.0
570.29504	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.4775
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92953	2.5
55.05497	3.1
57.03432	4.2
57.07065	97.0
59.04708	4.4
59.04992	72.3
67.05494	6.4
69.07063	7.4
70.06570	8.6
71.08617	100.0
71.53056	2.7
71.53441	2.3
73.02880	3.7
81.07028	4.9
83.08591	8.1
84.46883	2.2
85.09647	4.9
85.10167	96.3
87.04440	5.1
88.07612	8.7
89.06023	5.5
93.07042	2.6
95.08590	4.9
97.10184	4.1
99.11733	12.4
101.06007	2.6
101.09649	8.8
102.09179	9.8
103.07553	8.0
109.10159	4.5
109.56484	1.9
115.07603	3.9
117.09115	26.0
122.30774	1.9
130.08644	5.4
133.10121	4.6
138.26149	2.3
141.16399	8.4
161.11758	3.4
175.13261	2.5
196.35283	2.1
199.20566	21.7
219.15787	2.3
240.23378	3.9
253.14488	2.7
257.24698	34.3
262.32574	2.3
271.26355	2.5
277.20145	3.4
283.26306	9.9
284.29352	17.0
311.29364	20.6
312.32520	10.6
315.28833	5.7
340.54343	2.2
428.91260	2.1
435.63257	2.6
533.38013	2.4
534.77521	2.7
551.44983	5.1
568.42883	3.2
568.56604	74.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.4771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.1
57.03430	2.9
57.07066	100.0
58.07400	0.8
59.04990	48.2
67.05487	2.2
67.90955	0.8
69.07064	3.8
69.59000	3.0
69.59413	1.9
70.06577	2.4
71.08620	75.7
72.04514	2.1
72.08897	0.7
79.05480	1.0
81.07021	3.4
81.96446	0.7
82.07434	0.6
82.86903	0.6
83.08611	3.3
84.08123	0.9
84.73073	0.6
85.10167	62.9
87.04466	1.6
87.43970	0.8
88.07619	2.9
89.06017	9.8
91.05473	1.3
93.07005	3.3
94.07359	0.7
95.08603	3.0
96.69842	0.7
97.10163	2.4
99.08094	1.2
99.11714	13.1
100.07612	0.7
101.06033	1.0
101.09623	4.8
102.09164	4.7
102.39713	0.6
103.07585	1.4
105.07025	2.6
106.07354	1.4
107.07053	1.5
107.08592	1.7
109.10146	1.8
111.11707	1.1
113.13284	5.2
114.47858	0.7
115.07554	1.3
116.10720	2.5
117.09112	17.2
117.09895	1.4
119.08562	4.0
120.08880	1.0
120.69177	0.7
121.10135	2.4
122.10531	0.7
123.11632	1.0
128.80083	0.8
130.08633	1.4
130.12253	1.0
131.08589	0.8
133.10114	1.2
135.08044	0.8
140.09680	0.7
141.16364	1.2
143.08594	1.1
145.08633	0.9
145.10118	2.0
146.10406	1.2
147.08138	1.0
147.10127	4.3
149.13240	0.7
155.17915	10.0
157.10083	0.8
158.11815	0.9
159.11682	0.8
159.13835	1.3
160.11900	0.8
161.11761	0.7
161.13155	0.9
165.09094	2.1
166.09416	1.6
169.10132	0.7
171.11729	0.9
175.13303	2.4
175.14729	0.8
199.20627	0.7
203.14412	1.0
205.14296	4.1
208.72868	0.7
213.22092	22.0
221.13210	1.1
221.15288	5.7
222.15675	3.0
223.15298	2.8
254.24812	3.0
257.24692	1.7
263.18457	1.5
271.26266	29.9
281.19608	1.7
283.26205	3.5
284.29437	70.1
285.29761	59.3
311.29507	6.4
312.32629	3.2
320.93994	0.8
321.22366	0.9
329.30396	2.3
339.23740	1.2
415.50851	1.0
551.45020	3.0
568.42084	6.5
568.56470	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.4412
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89476	1.2
55.05503	3.4
57.03424	1.9
57.07069	100.0
59.04991	41.4
67.05499	2.0
69.07053	4.5
69.48817	2.3
69.49219	8.2
70.06574	3.7
71.08623	89.4
72.31683	1.5
73.02908	32.8
81.07043	2.9
83.08605	3.0
84.08136	2.7
85.10172	75.3
87.04432	4.6
87.08115	1.9
88.07624	8.2
89.06013	6.2
91.05473	1.7
95.08615	3.5
97.10150	3.7
97.11853	1.5
99.11712	12.6
101.09624	3.8
102.09142	6.1
103.07564	4.3
108.66032	1.2
109.10162	1.5
111.11709	2.0
113.13276	4.3
117.05477	1.3
117.09129	13.3
130.08630	3.6
133.08551	2.9
141.16270	1.7
152.66104	1.1
155.17944	9.7
155.99983	1.4
185.19025	4.3
195.12242	3.1
199.20569	2.3
200.13672	1.3
205.10745	7.2
213.22107	17.6
235.15495	2.2
243.23164	8.4
253.16592	2.1
254.24817	3.4
257.24866	2.7
260.99380	1.3
262.25262	2.2
271.26321	18.7
281.15784	1.5
282.04138	1.4
283.26297	9.8
284.29453	15.7
301.27335	2.1
311.29446	14.4
312.32413	6.9
327.27811	1.4
339.20172	1.7
472.91547	1.7
568.44000	8.7
568.56561	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	568.4264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06585	1.0
51.02361	1.4
53.03936	2.7
55.05499	11.0
57.03368	0.8
57.06856	0.9
57.07066	8.0
59.04977	2.2
65.03922	2.4
67.05492	17.1
69.03422	1.8
69.06707	1.4
69.07054	13.5
70.06565	1.3
71.04979	2.3
71.08609	2.7
71.15609	1.7
78.04656	0.9
79.05482	18.9
80.06253	3.1
81.07043	35.2
83.04963	3.1
83.08599	6.5
85.06519	4.7
85.10144	1.7
88.07617	1.6
91.05466	34.2
92.06244	2.9
93.07028	53.5
94.07822	2.1
95.04344	2.0
95.04952	37.4
95.08589	27.3
97.06506	2.1
97.10162	1.1
102.09148	1.6
103.05444	3.9
105.07011	75.1
106.07871	4.8
107.04910	1.2
107.08577	44.6
108.09388	1.7
109.06518	5.3
109.10137	20.2
111.08050	2.4
115.05417	5.7
116.06208	1.5
117.06999	26.2
117.07832	1.3
118.07817	1.3
119.08560	100.0
120.09434	7.5
121.06454	2.6
121.10121	32.2
123.08041	14.1
123.11673	7.8
125.09606	2.9
128.06177	10.1
129.06982	15.2
130.07768	9.0
130.08644	1.6
131.08542	51.3
132.09323	12.2
133.06470	0.9
133.10104	55.3
134.10939	6.6
135.08034	6.2
135.11685	20.1
137.09579	6.5
138.10379	10.4
139.11180	2.4
141.06921	7.1
142.07755	15.6
143.08539	45.6
144.09338	13.3
145.10097	91.9
146.10924	5.1
147.08006	2.5
147.11650	26.3
148.12296	0.9
149.09592	5.4
149.13205	4.2
151.11182	3.1
153.06952	2.6
154.07762	2.6
155.08498	15.1
156.09331	17.0
156.91527	0.9
157.10098	51.2
158.10890	12.0
159.08093	1.8
159.11668	38.7
160.12479	5.3
161.09590	7.8
161.13219	8.9
163.11179	3.5
163.14810	1.5
165.06973	4.2
166.07713	1.7
167.08577	8.3
168.09325	4.6
169.10104	28.5
170.10861	9.8
171.11661	38.8
172.12444	7.1
173.09616	1.8
173.13234	34.2
174.13933	2.6
175.11211	2.4
175.14798	22.6
177.12729	6.3
179.08501	6.2
180.09340	4.4
181.10114	16.6
182.10892	8.4
183.11656	29.4
184.12460	6.2
185.09625	1.3
185.13225	25.2
186.14009	8.7
187.14777	16.3
188.15503	1.0
189.12691	3.6
189.16290	1.0
191.14258	9.7
192.09363	1.0
192.15076	3.2
193.10120	8.6
193.15816	1.1
194.10866	9.1
195.11650	20.4
196.12413	10.6
197.09599	1.0
197.13213	28.1
197.14983	1.5
198.13992	7.3
199.11174	1.3
199.14766	13.6
200.15457	2.1
201.12672	4.0
201.16344	8.0
203.14243	4.1
204.15126	1.5
205.10017	1.1
205.15877	1.5
206.10864	3.1
206.16595	0.8
207.11630	8.8
208.12453	6.4
209.13220	25.0
210.13925	3.5
211.14777	22.8
212.15392	1.4
212.54179	0.9
213.12857	1.5
213.16328	5.3
215.14275	2.0
215.17818	1.8
217.15883	5.5
218.16652	1.0
219.11639	3.8
219.17462	2.8
220.12421	3.0
221.13182	9.1
222.13991	3.6
223.14763	11.9
224.15543	4.4
225.16333	9.0
226.17096	3.1
227.14365	1.4
227.17966	2.5
229.10132	1.3
230.16655	1.4
231.11723	1.6
231.17371	1.7
232.12500	0.9
233.13254	3.8
234.13960	2.0
235.14743	5.7
236.15521	1.5
237.16353	9.2
238.17059	1.4
239.17900	6.2
240.18739	1.0
241.15848	1.3
241.19518	3.9
243.17419	1.4
244.18233	0.9
245.13199	1.3
246.14009	2.5
246.19965	1.1
247.14778	3.5
248.15541	1.5
249.16423	4.8
250.17424	1.1
251.17966	3.8
252.18785	1.3
253.15906	1.3
253.19582	2.2
255.17514	2.2
255.20850	1.4
257.19034	2.8
258.19522	1.4
259.14835	1.2
259.20590	3.3
261.16388	2.9
263.17850	5.3
264.18665	1.1
265.19504	5.3
267.17453	1.5
267.20944	2.9
270.19769	2.3
271.20633	2.3
272.21393	1.9
273.16476	1.0
275.17926	3.7
276.18509	1.2
277.19440	5.4
279.20984	1.8
281.19101	1.7
283.20538	6.2
283.26218	1.3
284.21115	1.2
284.29443	4.4
285.22058	3.6
289.19492	2.0
291.21140	2.1
296.21686	1.0
297.22177	3.0
305.22559	3.1
309.22064	1.6
311.29413	3.5
312.32455	2.0
320.24783	1.3
323.23694	8.5
324.24393	1.8
331.24088	1.6
335.23721	1.7
336.24496	1.2
337.25262	2.4
338.25974	57.2
339.26505	1.6
349.25262	2.7
350.25977	1.3
350.33273	1.0
351.26645	3.0
362.26126	1.0
363.26837	1.3
375.27014	2.0
397.28589	1.0
415.29892	2.8
420.30249	3.6
429.31552	1.4
430.32297	18.9
458.35413	1.5
476.36481	28.7
489.37421	1.5
550.41815	1.8
563.84875	1.1
568.42633	51.7
568.56061	9.4
569.42706	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.0
55.01862	1.6
55.05505	5.9
56.05019	1.5
57.03419	1.9
57.07061	2.0
61.02893	0.8
65.03947	1.0
67.05501	4.1
67.45706	0.7
69.03079	1.3
69.03423	14.6
69.07058	11.6
69.63651	3.6
69.64063	1.8
70.06582	9.4
71.04967	1.8
72.08150	1.9
73.02902	1.8
74.06059	1.1
79.05491	3.8
81.03394	3.3
81.07039	8.8
82.06548	1.4
83.04959	5.9
83.08611	5.0
84.04470	1.9
84.08129	6.8
85.02897	10.6
85.06504	1.3
86.06060	1.3
86.09685	3.4
87.04438	1.6
88.02200	1.1
88.03953	1.0
91.05466	6.6
93.07023	6.0
94.70933	0.8
95.04961	9.4
95.08595	8.1
97.02861	3.8
97.06528	3.9
98.06031	1.0
99.04436	2.9
100.07657	1.0
101.02367	0.8
103.05439	1.6
105.07018	16.2
107.04913	1.4
107.08580	14.2
109.02845	1.9
109.06503	8.8
109.10142	10.0
110.07165	1.3
111.07335	0.7
111.08078	2.3
115.05402	1.0
115.07549	2.3
116.07082	1.6
117.07018	1.8
119.04906	1.2
119.08569	38.9
120.08072	1.9
121.02888	0.7
121.10133	8.9
122.05988	1.2
123.04439	1.1
123.08018	2.1
123.11674	3.8
125.09605	8.3
127.03896	3.1
129.06946	1.1
129.10210	3.1
130.08621	3.0
131.08548	9.6
133.10114	42.4
135.08044	4.5
135.11665	5.5
136.07552	3.1
137.05933	3.0
137.09613	1.5
139.11163	2.0
143.08534	4.0
144.09343	1.1
145.02812	1.0
145.04939	3.2
145.06345	0.8
145.10098	5.5
146.08087	3.4
147.04411	3.9
147.11653	10.9
149.09607	2.0
149.13217	3.9
150.05411	1.0
151.03874	2.4
151.11168	3.0
153.09056	6.1
158.10869	4.0
159.11691	1.0
160.12422	1.5
163.04042	1.0
163.06094	0.8
163.11081	0.9
163.14799	2.5
164.07072	1.1
165.12718	1.9
166.04958	0.8
167.07004	1.8
167.14267	2.9
173.13246	35.1
175.14801	100.0
176.03416	1.6
177.05458	5.3
178.04991	2.0
191.14272	29.0
192.14819	1.1
193.12257	0.8
193.15846	2.8
209.15338	50.3
212.78354	0.8
227.16362	13.4
259.10910	1.2
273.11102	0.9
281.07867	0.9
291.03397	1.1
323.09274	1.3
353.19464	1.7
355.09506	1.2
371.20499	5.6
388.23212	1.1
401.09875	1.3
550.28510	2.4
568.19098	1.8
569.18396	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1332
Annotation	Quercetin 3-apiosyl-(1->2)-alpha-L-arabinopyranoside
Peak:m/z	Relative Intensity
55.01863	2.8
57.03187	0.3
57.03428	4.7
59.04989	0.5
61.02922	1.7
67.05498	0.6
68.99783	0.4
69.03419	4.6
70.06566	1.1
71.01347	1.3
71.31945	0.4
71.32302	0.3
73.02903	6.4
73.39736	0.3
79.01920	0.2
81.03393	0.7
81.07022	0.4
83.04980	0.3
84.08121	0.4
85.02891	4.7
86.09697	0.5
87.04443	0.9
91.05450	0.6
93.03384	0.6
93.07039	0.6
95.04958	0.6
97.02874	5.4
99.04419	0.4
103.03894	0.5
107.04906	0.3
107.08556	0.4
109.02840	0.9
109.10126	0.3
111.00759	0.9
111.04385	0.3
115.03911	4.6
120.08084	0.4
121.02833	1.0
123.04382	0.4
127.03897	2.2
130.08594	0.3
133.03996	0.4
133.04958	5.6
133.06425	0.3
135.04333	0.5
136.07616	0.4
137.02312	3.6
137.05925	0.4
138.05423	0.3
139.03864	0.8
149.02356	0.6
153.01810	2.8
157.04950	1.2
161.05975	0.7
163.03899	0.6
165.01843	2.1
167.07021	0.5
169.04921	0.6
173.05920	0.5
175.05989	0.4
177.98262	0.3
181.04855	0.3
182.45537	0.3
183.02864	0.9
187.03889	0.3
199.06015	0.3
201.05476	1.6
207.41081	0.3
211.05888	0.5
212.16328	0.3
229.04938	4.1
229.07031	0.9
235.06789	0.3
247.05962	0.6
247.08159	0.5
257.04416	2.4
264.05865	0.3
274.04700	0.7
285.03934	1.2
303.04932	100.0
304.05185	1.5
315.04904	2.7
327.04898	0.5
341.06427	1.0
341.19965	0.3
344.65610	0.3
345.05920	2.1
353.06625	0.3
369.06015	1.7
381.06042	0.8
399.07114	3.2
417.08282	1.3
435.09143	5.6
567.28912	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19671	0.8
52.17298	0.7
53.03933	1.6
55.01854	1.3
55.05498	7.7
57.03412	2.4
57.07066	2.3
57.48481	0.8
59.04984	1.7
61.02901	2.3
67.05228	0.7
67.05502	7.8
69.03423	7.5
69.07053	8.0
69.21327	1.8
69.21662	10.5
70.06582	7.2
71.04980	4.2
72.08142	3.1
73.02902	1.5
79.05479	7.7
81.03421	4.4
81.07043	18.3
83.04966	11.6
83.08604	5.3
84.04482	1.6
84.08117	3.1
85.02891	19.7
85.06516	3.7
86.09670	3.3
86.11543	0.8
87.04462	1.4
91.03909	1.4
91.05463	9.8
93.07021	13.7
95.04952	36.2
95.08593	11.9
97.02878	6.7
97.06522	7.3
97.10155	1.0
99.04428	7.1
99.08055	2.8
101.07092	1.0
105.07008	23.4
106.58894	1.0
107.08574	22.9
109.02834	1.4
109.06500	18.6
109.10136	26.6
111.08057	3.7
113.09618	1.4
114.81055	0.8
115.03853	0.8
115.05396	1.2
115.07526	5.1
117.06991	2.6
119.04933	1.0
119.08558	28.8
120.08089	0.9
121.06448	1.8
121.10126	19.5
123.08052	4.4
123.11656	5.0
124.08410	0.9
125.09644	4.4
127.03916	5.5
129.10207	1.7
130.08594	1.3
131.08528	14.0
133.10103	52.3
135.08035	7.1
135.11668	13.0
136.07556	1.3
137.05925	1.9
139.11140	5.8
141.09036	1.3
143.08499	1.7
145.02722	0.9
145.04970	4.6
145.10095	7.2
146.08058	1.3
147.04407	2.2
147.11659	17.2
149.05945	1.0
149.09523	1.7
149.13235	12.6
151.07481	1.0
151.11147	5.6
153.09076	13.3
158.10915	4.9
163.06007	2.6
163.11122	1.6
163.14809	3.9
165.12727	2.6
167.14296	5.4
171.11519	1.0
173.13234	39.4
174.13704	1.0
175.14793	100.0
176.03459	1.4
176.15204	1.3
177.05431	3.0
178.04965	1.8
191.14270	45.8
193.15845	3.1
198.11252	0.9
209.15335	66.1
227.16374	29.3
238.07101	1.1
274.09183	1.0
319.04517	1.0
371.20557	1.1
388.23386	1.2
548.05615	1.0
550.28290	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	566.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	0.6
56.05012	0.8
58.91378	0.2
60.08150	6.2
60.92197	0.2
67.05477	0.7
69.03414	0.3
69.07044	0.6
70.06577	0.4
70.83481	0.7
71.04973	0.3
71.07354	2.2
74.96381	0.2
79.05470	0.6
81.03400	0.3
81.07030	1.1
82.07384	0.2
83.04977	0.5
85.02874	0.4
86.09686	31.6
89.06004	0.3
91.05442	0.5
93.07003	0.7
95.04955	0.3
95.08594	0.4
97.02853	0.4
97.06519	0.3
97.10128	0.3
98.98447	2.4
104.10722	4.0
105.07009	0.8
105.15082	0.2
107.08579	0.6
109.10126	0.3
111.04441	0.4
112.21998	0.2
119.08572	0.6
121.06479	0.3
121.10133	0.4
123.11786	0.3
124.99975	20.8
127.03848	0.5
131.04829	0.2
131.08522	0.4
133.10092	0.4
137.05952	1.2
143.01009	0.3
145.10101	0.4
159.11678	0.4
171.11705	0.2
184.07297	100.0
239.15620	0.3
242.88452	0.2
265.24960	0.2
270.17639	0.3
271.17743	0.3
283.26151	0.6
380.91241	0.3
429.90146	0.3
466.83643	0.3
534.28027	0.5
548.29510	1.4
566.20184	0.7
566.30676	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	567.0225
Annotation	Unknow
Peak:m/z	Relative Intensity
68.76923	0.4
69.51848	3.1
98.21503	0.7
98.97500	1.2
116.98493	1.5
134.17931	0.4
134.99632	1.1
216.98778	0.7
222.97816	0.8
234.96294	0.7
234.99919	4.7
240.98993	1.3
250.97644	0.9
252.97507	0.6
253.01033	1.7
256.96710	1.1
258.97089	0.9
258.99939	17.1
260.00003	1.7
261.00006	0.8
261.02969	1.0
264.98700	2.9
273.98767	0.7
274.97705	4.4
275.97748	1.2
276.97589	3.2
277.00977	23.8
278.01035	1.8
279.00485	1.0
282.99942	52.8
284.00046	3.7
284.99854	0.9
290.63245	0.5
292.98752	1.8
294.98639	0.8
295.01993	0.5
298.94730	0.7
298.97699	3.6
299.97821	1.3
300.02557	0.6
301.01001	100.0
302.01147	6.9
303.00848	3.3
305.15628	0.5
314.95840	0.6
316.95493	0.9
316.98822	7.2
317.98959	3.1
318.98557	4.6
319.02109	6.7
320.02020	0.7
324.02652	3.0
359.00101	1.9
364.99020	1.2
383.00021	1.3
398.94788	1.3
400.96805	0.7
401.01242	8.4
402.01242	1.7
403.01202	1.0
406.99899	4.2
416.99060	0.9
418.98825	2.1
425.01089	17.2
426.01370	2.0
427.00717	0.6
440.98590	0.9
441.99393	0.8
443.02261	55.5
444.02396	5.5
445.02167	1.6
458.99677	2.1
460.00247	0.6
460.99515	4.8
466.03729	4.2
500.97812	4.1
516.50336	0.5
525.01270	2.0
536.99475	1.1
537.49603	1.0
542.99518	2.3
543.98737	0.5
546.50348	0.8
549.01184	24.6
550.01428	2.7
551.43970	0.6
567.02362	57.5
568.02643	5.1
584.99902	9.5
586.00684	0.8
590.03778	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	567.1333
Annotation	Quercetin 3-apiosyl-(1->2)-alpha-L-arabinopyranoside
Peak:m/z	Relative Intensity
55.01867	1.2
55.05487	0.6
56.04991	0.4
56.58268	0.2
57.03148	0.3
57.03428	5.6
57.64018	0.2
61.02917	1.7
65.03930	0.3
67.05481	0.6
68.99751	0.4
69.03418	6.5
69.07066	0.4
70.06586	2.4
71.01328	1.1
72.08131	0.6
73.02907	9.4
81.03394	0.9
81.07034	0.8
82.06539	0.4
83.04949	0.6
84.04485	0.5
84.08117	1.3
85.02888	4.0
85.06487	0.3
86.09715	1.5
87.00814	0.3
87.04431	0.7
91.05454	0.6
93.06998	0.6
95.04937	0.8
95.08582	0.7
97.02875	11.6
97.03506	0.6
97.06560	0.3
100.07611	0.4
101.38699	0.3
103.03970	0.2
105.07003	0.7
107.04888	0.5
107.08546	0.5
109.02866	0.7
109.06467	0.4
109.10122	0.5
110.07138	0.3
111.00755	0.7
111.04427	0.4
115.03920	5.3
118.24403	0.3
119.04905	0.4
119.08553	0.6
120.08091	0.6
121.02843	0.9
121.10188	0.2
127.03938	1.6
127.04743	0.3
129.10202	0.5
130.08603	0.3
131.04869	0.4
131.08594	0.3
133.04958	2.9
133.06497	0.5
133.10107	0.3
136.07573	0.4
137.02316	3.1
137.05960	0.9
139.03876	0.5
146.08092	0.9
147.11583	0.4
149.02286	0.4
151.07497	0.4
153.01785	3.0
157.04922	0.7
161.05913	0.3
163.03896	0.5
165.01779	1.7
165.05495	0.3
167.06984	0.9
173.05930	0.5
177.05498	0.4
178.04973	0.5
181.04927	0.4
183.02834	0.9
187.03864	0.3
193.04878	0.3
193.08600	0.3
195.02802	0.4
201.05365	1.2
203.03322	0.3
205.65669	0.3
206.04486	0.4
209.08047	0.4
211.06100	1.2
229.04948	3.1
229.06993	0.4
229.72061	0.3
243.07552	0.5
247.05972	0.6
247.08240	0.3
257.04355	2.0
271.10742	0.4
272.07849	1.1
273.08667	0.4
274.04657	0.8
285.03891	1.1
285.08490	0.4
286.17859	0.3
302.04269	0.3
303.04935	100.0
304.05295	0.4
315.04852	0.9
319.19339	0.3
327.09747	0.3
345.06036	1.0
345.10693	6.9
369.05954	0.4
399.06839	1.1
405.12918	6.3
417.07974	0.5
435.09186	4.5
549.27087	0.3
554.16418	0.3
566.42511	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.403
Annotation	28380-31-6
Peak:m/z	Relative Intensity
51.54722	1.4
53.03931	2.0
55.05489	5.8
57.03406	1.9
57.07062	18.4
59.04980	9.2
65.03896	1.7
67.05486	16.1
69.03402	3.2
69.07063	8.8
71.04949	1.7
71.08623	12.3
79.05476	11.7
81.07035	19.4
83.04981	3.5
83.08601	5.0
85.06510	2.0
85.10155	8.3
86.42860	1.6
87.04455	4.8
89.06018	13.7
91.05460	16.0
93.07021	20.7
95.04966	8.8
95.08576	18.1
97.06496	4.3
97.10131	2.6
101.06007	1.6
103.03882	3.0
105.07009	26.7
107.08569	22.2
109.06501	3.2
109.10124	12.7
109.13321	1.4
115.05419	2.4
117.06998	6.9
119.08553	35.2
121.06473	2.0
121.10117	26.1
123.04456	1.7
123.08037	8.4
123.11667	5.1
125.09610	2.1
128.06204	2.9
129.06979	7.6
130.07742	2.7
131.08562	14.7
133.08582	7.8
133.10107	21.6
135.08040	4.9
135.11639	8.2
137.09616	5.6
141.06937	3.9
142.07736	10.4
143.08522	18.4
144.09306	3.0
145.10091	26.3
145.11148	2.7
147.08066	4.1
147.11649	11.6
149.09581	5.1
151.07486	2.2
153.06956	2.7
154.07692	2.2
155.08568	7.8
155.10661	2.1
156.09311	6.7
157.10089	25.2
158.10867	3.6
159.07973	3.1
159.11674	15.8
161.13234	3.1
163.11192	4.9
165.06921	1.6
165.09111	4.7
167.08528	5.7
167.10649	9.0
168.09212	2.1
169.10066	10.1
170.10916	2.9
171.11670	14.0
173.09679	1.8
173.13240	11.4
175.14786	4.5
177.11218	3.1
179.08528	5.3
180.09338	3.1
181.10083	6.7
181.12248	5.0
182.10881	4.5
183.11671	9.4
184.12440	1.9
185.13251	13.4
187.14819	5.0
188.12025	1.7
189.12715	4.3
192.09340	2.1
193.10121	7.2
194.10880	4.5
195.11644	12.6
196.12448	2.7
197.13217	10.9
199.14784	8.8
201.16316	3.8
203.14325	2.5
205.10042	1.6
206.10959	2.0
207.11737	9.8
207.13470	2.3
208.12515	3.8
209.13254	12.2
210.13989	2.5
211.14767	8.4
213.16321	4.5
215.14255	5.1
217.15941	3.2
219.11674	2.9
220.12393	3.3
221.13527	8.4
221.15024	7.7
222.14056	2.4
223.14760	8.1
225.16350	2.8
227.14372	1.7
229.10066	1.7
231.11707	1.8
233.13184	3.1
233.15332	2.5
235.14868	7.7
236.15521	2.0
237.16353	5.4
239.17886	3.3
245.13222	4.1
246.13846	3.5
247.14732	4.5
249.16388	5.6
251.17908	6.0
253.19482	2.8
258.14224	1.7
259.14783	4.5
261.16397	4.4
263.17938	4.4
265.19522	5.3
269.19031	2.0
273.16324	2.5
275.17874	2.6
277.19510	7.0
279.21021	2.9
285.16696	1.8
287.17810	2.6
289.19431	3.1
291.20996	2.2
303.20935	2.6
315.20819	2.2
327.21063	1.7
331.24219	5.1
337.26462	1.7
357.25830	2.3
365.24820	2.8
373.25150	1.9
473.34103	4.3
507.36237	2.3
547.39160	16.1
565.40247	100.0
566.40936	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.403
Annotation	28380-31-6
Peak:m/z	Relative Intensity
51.58792	2.7
55.05499	9.6
57.07065	11.9
59.04995	5.3
65.03925	3.0
67.05495	27.2
68.23263	2.3
69.03415	3.7
69.07053	16.5
71.08611	3.9
71.53719	4.0
79.05476	19.0
81.07045	32.7
83.04970	4.9
83.08601	8.3
87.04415	3.0
89.05999	3.2
91.05455	29.4
93.07035	42.9
95.04962	12.7
95.08591	29.1
97.06519	4.9
105.07010	49.9
107.08583	30.0
109.06484	6.7
109.10157	20.0
115.05429	4.6
117.06996	9.3
119.08559	47.8
121.06505	6.0
121.10120	39.1
123.08067	7.6
123.11687	4.1
125.06007	3.9
128.06216	8.3
129.06975	13.6
130.07788	2.7
131.08530	18.8
133.08601	2.9
133.10124	35.5
135.08022	6.9
135.11674	12.8
137.09641	4.3
139.81082	2.6
141.07011	4.3
142.07765	11.8
143.08546	21.0
144.09360	3.7
145.10095	33.3
147.08044	5.5
147.11661	12.6
149.09622	5.4
149.13287	3.1
151.07536	5.0
151.11105	2.7
155.08530	12.1
156.09354	11.3
157.10091	34.8
157.24091	2.5
158.10896	4.1
159.11649	16.5
161.09631	4.7
161.13251	7.5
163.11208	4.6
163.14789	3.6
165.06999	5.5
165.09090	12.1
166.07780	2.5
167.08533	7.7
167.10687	9.6
168.09393	3.2
169.10077	16.3
170.10818	4.7
171.11656	16.2
173.09782	2.6
173.13260	16.3
175.11201	5.0
175.14758	6.4
179.08559	9.3
181.10092	11.5
181.12222	8.0
182.10809	5.4
183.11655	17.8
185.13234	11.5
187.14758	6.1
192.09305	3.4
193.10139	11.2
194.10939	5.6
195.11650	12.7
196.12439	6.5
197.13251	17.1
199.14806	11.8
201.16449	3.0
203.14378	5.2
205.10135	4.2
206.10887	8.2
207.11656	12.0
208.12518	2.5
209.13264	14.4
210.14140	2.5
211.14833	8.0
213.16376	3.3
217.15927	2.7
218.10812	2.5
219.11644	6.9
220.12482	6.6
221.13251	12.1
221.15376	21.3
222.14017	3.0
223.14789	6.8
225.16408	3.3
229.10320	2.7
231.11577	3.4
233.13283	4.3
233.15382	5.8
235.14838	6.5
237.16393	5.5
239.17938	4.2
244.12560	3.5
245.13226	5.6
247.14781	7.7
248.15631	3.2
249.16367	5.0
251.17946	4.2
253.19554	3.8
259.14825	5.0
260.15442	4.3
261.16458	5.2
263.17905	4.6
265.19644	3.4
273.16376	3.7
277.19427	5.4
279.21143	2.6
287.17834	3.5
289.19586	4.5
310.31067	3.5
327.64536	2.7
331.24115	3.9
473.34052	12.4
485.33597	3.1
529.38568	9.2
547.39429	12.0
565.40363	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.188
Annotation	Kuwanol A
Peak:m/z	Relative Intensity
55.05489	0.6
58.58307	0.3
64.28944	0.3
69.03423	0.4
69.47200	2.0
72.24330	0.3
79.05482	0.3
80.59489	0.3
85.02866	0.3
91.05477	0.4
93.07037	0.4
95.08595	0.5
97.02866	0.3
98.20771	0.6
105.07000	0.4
107.08557	0.4
113.05802	0.3
113.99593	0.2
149.02313	4.1
150.77513	0.2
165.77495	0.3
167.07001	0.3
171.00539	0.5
175.07564	0.3
181.21320	0.2
199.07266	0.5
203.05171	0.5
238.57854	0.2
243.06322	0.6
245.08183	1.5
257.09961	0.5
261.07278	2.6
275.10941	2.4
289.05264	0.7
299.12531	5.8
317.13635	13.9
345.13196	1.5
359.14517	0.5
423.12619	1.0
439.88931	0.3
461.17822	0.6
465.13800	0.4
479.18790	11.7
480.19061	0.3
521.19855	31.1
522.20441	0.5
532.98981	0.3
565.18811	100.0
566.19348	2.2
581.47034	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.9
55.05496	9.4
57.03404	1.4
57.07063	8.3
59.04979	4.5
65.03928	2.4
67.05492	18.3
69.03419	6.1
69.07054	13.6
71.04961	1.2
71.08600	4.1
73.02888	3.3
79.05483	12.9
81.07046	25.7
83.04961	4.2
83.08598	8.3
85.02879	1.0
85.06514	2.8
85.10154	4.3
87.04462	2.6
89.06025	4.0
91.05473	22.6
93.07027	29.8
95.04955	8.0
95.08594	23.9
97.06509	4.5
97.10184	1.7
103.03909	1.7
103.05470	1.2
105.07014	45.0
107.04932	1.7
107.08577	23.3
109.02862	2.2
109.06513	4.8
109.10140	13.8
115.05434	3.3
116.06251	1.5
117.07005	7.8
117.09029	1.0
119.08560	45.1
121.06489	2.4
121.10120	34.3
123.08035	6.3
123.11678	7.0
125.05998	2.6
125.09555	1.7
128.06152	5.5
129.06979	7.7
130.07767	3.5
131.08543	19.5
133.08585	2.1
133.10110	29.2
135.08057	5.0
135.11655	11.7
137.09576	4.5
139.11156	1.3
141.06961	4.1
142.07758	9.6
143.08530	19.8
143.09566	1.7
144.09320	4.9
145.10098	29.5
147.08060	6.1
147.11642	11.8
149.09579	6.9
149.13164	1.8
151.07513	2.7
151.11183	1.6
153.06958	2.0
155.08517	8.6
155.10629	1.9
156.09326	9.9
157.10107	30.2
158.10895	4.6
159.07970	2.6
159.11676	15.3
161.09583	1.9
161.13234	4.3
163.11131	5.3
163.14783	1.5
165.06963	4.2
165.09090	9.4
165.12775	1.6
166.07777	2.1
167.08536	7.6
167.10661	15.6
168.09319	3.3
169.10101	15.8
170.10892	4.9
171.07968	1.2
171.11659	17.9
172.12418	1.5
173.09534	2.0
173.13232	18.2
175.11183	3.0
175.14760	5.9
177.11188	1.5
179.08533	7.4
180.09314	3.6
181.10059	9.1
181.12186	5.7
182.10883	4.6
183.11678	12.4
184.12473	1.6
185.13240	11.6
187.14827	7.0
189.12738	3.4
191.00110	1.1
192.09338	2.9
193.10139	9.8
194.10902	4.7
195.11661	12.6
196.12415	4.4
197.13228	13.4
199.14772	15.7
201.12740	1.2
201.16399	2.9
203.14354	3.9
205.10075	2.9
206.10896	4.3
207.11690	11.9
207.13580	1.6
208.12462	3.1
209.13243	14.8
209.15092	2.1
210.13927	2.3
211.14729	7.1
213.12685	1.3
213.16357	4.3
215.14232	2.9
217.10017	1.4
217.15921	1.6
219.11737	5.6
219.13522	1.2
220.12448	4.9
220.27448	1.2
221.13232	9.3
221.15376	16.8
222.13991	2.2
223.14726	9.5
225.16382	5.0
227.14407	1.2
231.11699	3.5
232.12393	2.5
233.13179	5.1
233.15388	5.8
234.13998	3.8
235.14738	6.0
237.16330	6.7
239.17932	2.8
244.12364	1.8
245.13205	3.5
246.13986	2.1
247.14761	6.3
247.16960	1.9
248.15488	2.2
249.16411	4.2
250.17186	1.3
251.18011	5.2
253.19478	4.5
257.13028	1.3
257.19177	1.2
259.14755	4.5
260.15427	1.7
261.16354	5.0
263.17914	5.4
265.19461	6.8
265.25244	1.6
267.15698	1.6
269.13223	1.4
271.14862	1.3
273.16306	3.7
274.17194	1.4
275.17874	4.2
277.19513	3.8
279.21060	2.2
283.20386	2.3
285.16623	3.9
287.17676	2.3
289.19458	3.7
299.20361	1.9
303.21045	1.6
313.19370	1.5
317.22787	2.3
329.22775	2.2
331.24249	3.6
337.27365	1.7
337.34695	1.3
343.24347	3.5
355.24493	1.9
357.25745	4.0
365.24780	1.7
381.25980	1.5
385.28860	1.6
401.28873	1.2
473.34189	8.8
485.34161	1.5
509.34018	1.6
529.38232	1.9
547.39563	13.4
565.30676	3.6
565.40271	100.0
566.40765	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	564.4459
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08450	0.7
55.01857	1.2
55.05501	16.2
57.03433	9.0
57.06790	1.2
57.07068	23.0
59.04989	1.7
67.05492	20.9
69.07057	27.1
69.36406	2.8
69.36832	5.2
71.04967	1.6
71.08620	17.7
73.06538	0.9
74.01464	0.7
75.04472	1.2
76.99876	0.8
79.05479	8.2
81.07043	32.1
83.04953	2.4
83.08605	24.4
85.06516	1.9
85.10174	12.0
87.04471	1.5
88.38757	0.8
89.06009	2.4
91.05460	2.9
93.07026	11.8
95.04958	1.0
95.08591	31.8
97.06516	6.4
97.10151	16.6
99.11738	1.2
101.05975	1.3
105.06998	2.3
107.08571	9.9
109.10134	16.4
111.08073	4.2
111.11687	5.0
113.09600	1.1
115.07581	1.1
119.08562	2.9
121.10115	15.7
123.11681	6.2
125.09574	5.6
125.13228	0.9
133.08603	1.6
133.10132	2.0
135.11664	12.3
137.13269	1.2
139.11183	4.0
143.10725	1.0
145.10133	1.2
147.11653	1.3
149.13237	7.5
152.14046	0.8
153.12708	3.4
163.14803	3.4
163.58681	0.9
164.08368	0.8
167.14302	2.4
177.16350	2.4
181.15768	1.2
191.17856	1.5
195.17398	1.2
199.07593	0.7
205.19582	0.8
209.18970	1.4
219.21062	1.2
284.15704	1.0
327.30319	0.9
335.32800	1.5
338.35336	0.8
345.31442	2.1
363.32474	4.5
399.34631	13.4
400.35016	1.0
437.36185	57.1
438.36591	2.4
455.37238	37.9
456.37665	1.9
511.39795	9.5
529.40924	100.0
530.40863	4.5
538.21777	0.9
545.23743	0.9
564.39392	2.8
565.40228	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.4459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01836	4.3
55.05495	11.8
57.07047	13.1
67.05475	14.7
67.17252	3.9
67.61435	4.1
69.07053	12.7
69.85680	21.0
70.06568	17.4
71.08596	7.4
79.05465	10.1
81.07024	18.2
83.08585	15.0
84.08117	13.5
85.10125	6.2
89.05997	13.1
93.07016	11.6
95.08549	12.8
97.10117	7.8
105.06993	7.9
107.08576	12.0
109.10128	12.2
116.07047	18.9
119.08549	5.6
121.10120	9.8
123.11685	5.1
130.08585	19.8
135.11647	9.4
147.11487	5.6
197.17455	4.5
215.65170	4.8
310.43387	5.1
371.31400	14.2
409.33139	23.7
427.34085	22.6
470.82001	4.8
483.36844	11.7
485.47662	4.9
501.30673	6.9
501.37830	100.0
533.11877	5.1
564.39392	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	564.446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	1.0
55.05268	1.0
55.05506	12.9
57.03196	0.6
57.03430	6.3
57.07066	19.8
59.04990	1.0
67.05495	18.9
69.03403	0.7
69.07059	22.4
71.04959	1.9
71.08621	13.8
73.06548	1.0
75.04452	0.9
79.05482	7.6
81.07042	25.8
83.04958	1.3
83.08606	19.8
83.90623	0.7
85.06531	1.8
85.10179	7.0
89.06031	1.3
91.05470	2.0
93.07035	10.5
95.08594	27.0
97.06519	5.4
97.10152	14.1
99.08084	1.1
105.07011	2.6
107.08568	9.0
109.10140	13.1
111.08080	3.5
111.11712	4.2
115.07571	1.1
119.08559	1.3
121.10130	11.3
123.11684	6.1
125.09589	3.5
125.13278	1.1
131.06978	1.0
131.08501	1.0
133.08551	0.7
133.10156	1.6
135.11674	9.7
136.28500	0.7
137.13245	1.8
139.11174	2.7
143.08537	1.0
145.10120	1.4
147.11613	0.8
149.13239	5.2
151.14821	1.0
153.12730	2.7
161.13304	1.0
163.14822	2.9
167.14380	0.7
174.23093	0.7
177.16412	1.6
181.15892	1.6
188.95090	0.6
191.17923	1.2
205.19447	1.0
237.35413	0.8
241.91115	0.7
245.07875	0.7
263.91617	0.7
280.11334	0.7
317.31812	1.2
335.32959	1.6
345.31506	2.3
363.32581	3.0
381.33701	0.8
389.48077	0.7
399.34607	14.9
400.35110	0.7
437.36166	28.4
438.36685	0.8
455.37234	22.8
511.39838	10.6
529.40942	100.0
530.41559	3.6
565.40698	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	564.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18800	1.7
55.05505	17.1
57.03431	10.2
57.07069	21.8
58.56368	1.4
64.14935	1.4
67.05501	20.8
67.70878	1.3
69.03423	1.8
69.07055	23.4
71.08610	13.2
75.04483	3.4
79.05490	8.7
81.07047	30.9
83.04955	1.8
83.08610	22.9
85.06517	3.0
85.10174	7.2
89.99368	1.4
91.05463	5.8
93.07043	13.3
95.07986	1.9
95.08596	31.8
97.06532	5.5
97.10143	15.4
98.21525	3.9
105.07015	6.2
107.08578	11.0
107.85902	1.5
109.10143	14.7
111.08059	3.6
111.11716	4.0
117.07029	1.8
119.08591	8.9
121.10129	18.4
123.08074	1.8
123.11689	6.9
125.09617	5.0
125.13214	2.3
128.00406	1.9
131.08557	3.1
133.10117	5.6
135.11664	10.7
137.09610	2.0
137.13174	2.1
139.11131	2.2
142.07712	2.0
143.08565	3.8
145.10086	5.0
149.13245	5.2
153.12720	2.7
156.09375	1.9
157.10086	4.4
159.11774	2.5
163.14795	4.3
167.10751	2.3
169.10146	2.4
171.11681	5.0
173.13216	4.5
177.16229	1.7
181.12369	1.6
183.11560	1.9
185.13231	2.4
193.10173	1.5
195.11697	2.6
209.13168	3.5
211.14896	1.8
221.13181	2.4
221.15312	3.3
223.59906	1.6
225.16383	1.5
247.14864	1.6
247.19278	1.4
253.26097	1.7
363.32553	5.6
365.24500	2.6
399.34644	19.9
437.36252	20.4
455.37332	24.5
473.34262	1.7
485.33875	1.8
511.39978	19.0
529.40936	100.0
530.41370	5.6
547.39001	5.5
565.40460	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	564.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.2
55.01860	8.4
55.05502	14.5
57.03434	6.6
61.01623	1.2
61.02906	2.0
65.03922	1.5
67.05494	36.9
69.03419	5.6
69.07062	20.5
70.81627	3.1
71.04975	4.2
73.02917	1.5
74.50262	1.2
79.05045	2.3
79.05482	30.3
81.03410	11.6
81.07041	95.7
83.04971	8.1
83.08597	17.0
85.02900	7.1
85.06544	3.0
86.11836	1.1
89.05996	1.3
91.05466	31.6
93.06454	2.7
93.07027	33.2
93.99760	1.3
95.04956	12.4
95.08586	26.2
95.09154	2.0
97.02885	4.0
97.06519	8.8
97.10161	2.6
99.04440	2.3
99.08080	4.4
105.07009	32.6
107.04938	10.6
107.08567	17.5
109.02870	7.6
109.06493	39.7
109.10142	8.9
111.08045	6.7
113.06042	1.6
117.06995	8.8
119.08562	25.1
119.09356	2.5
121.06474	7.9
121.10113	20.5
123.08059	9.7
123.11689	11.1
125.09622	3.0
127.03901	11.2
129.06998	4.2
131.08554	16.4
133.06451	2.4
133.10100	22.6
135.08018	8.5
135.11641	7.0
137.09630	6.5
143.08543	4.1
145.04942	1.8
145.06496	2.2
145.10088	11.9
147.07982	2.8
147.11647	19.4
149.09593	11.4
149.13252	9.9
151.11139	5.2
155.08502	1.9
157.10101	6.4
159.08145	1.3
159.11670	11.8
161.09590	3.3
161.13205	4.5
163.11189	10.2
163.14804	3.2
165.12712	6.2
166.83650	1.3
169.10176	1.5
171.11671	3.9
173.09608	3.6
173.13242	5.6
175.11162	6.1
177.12759	3.5
179.10622	1.4
179.14368	1.7
183.11635	3.0
187.11139	3.8
189.12746	1.5
191.14229	2.3
193.12222	2.2
195.13791	1.8
197.13245	3.0
201.12657	1.6
205.15816	1.6
207.13847	1.4
219.13599	1.5
229.14197	2.1
229.19536	3.4
236.46799	1.2
239.18015	4.2
247.20534	5.4
257.19064	6.7
275.20016	100.0
276.20404	1.7
293.21039	28.7
331.85654	1.2
335.22226	4.6
349.23682	94.2
367.24710	60.7
383.21912	3.4
401.23160	15.9
419.24216	47.2
437.25333	31.6
455.26230	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	564.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.4
55.05500	17.2
57.03425	16.3
57.07061	11.9
59.04983	7.4
65.03926	3.6
67.05492	66.4
69.06729	2.5
69.07063	23.8
69.20774	22.9
71.04969	5.1
71.08620	7.5
79.05479	38.7
81.07045	82.2
83.04976	4.3
83.08614	13.8
85.06520	2.3
85.10160	2.8
87.04468	2.8
89.06021	4.6
91.05466	23.6
93.07027	60.8
95.04958	5.2
95.08593	39.0
97.06516	7.7
97.10172	2.7
99.08086	3.5
105.06992	12.7
107.08576	31.1
109.10141	10.2
111.08073	2.7
117.07011	8.3
119.08533	12.3
121.06487	6.4
121.10135	22.0
123.11686	4.9
130.08646	3.1
131.08580	12.5
133.06491	5.1
133.08606	5.2
133.10106	8.7
135.11681	14.0
137.09586	5.2
139.11069	2.4
145.10117	4.2
147.11681	7.4
149.13260	26.5
159.11661	12.6
161.09578	2.5
161.13242	3.5
163.11224	2.3
163.14754	2.0
173.13196	3.2
175.11195	12.2
177.11227	4.9
177.12714	40.6
187.14796	1.9
195.13789	7.2
219.13731	23.2
261.22137	6.6
269.17426	71.5
271.13126	2.9
317.24936	2.8
319.93881	2.3
327.19424	8.6
335.25720	69.6
520.44312	2.1
529.38770	100.0
569.27490	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	564.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
55.01864	1.9
55.05505	16.4
57.03419	6.8
57.82739	1.6
61.02906	3.2
63.62597	1.5
65.19447	1.3
65.88875	1.6
66.78943	1.3
67.05496	22.1
69.03407	2.0
69.07062	12.5
70.06585	2.8
71.04950	1.9
71.54433	1.8
72.08136	1.3
79.05483	22.8
81.03394	3.6
81.07043	20.1
83.04984	7.8
83.08601	12.7
84.08107	1.9
84.71481	1.5
85.02872	4.8
85.06519	3.2
89.05970	2.4
91.05470	15.3
93.07027	19.8
95.04951	25.3
95.08604	13.8
97.02859	3.1
97.06505	3.6
97.10152	5.8
99.04477	2.1
105.07017	19.4
107.04939	7.3
107.08578	17.4
109.06485	5.6
109.10139	8.7
111.04420	6.7
111.08067	3.8
116.06153	1.7
117.06986	7.3
119.08565	14.0
121.06482	2.9
121.10121	11.9
123.07961	2.3
123.11699	2.6
125.09591	6.7
127.03945	2.5
129.06941	2.8
131.04884	3.1
131.08534	10.0
133.08546	2.0
133.10100	12.0
135.08044	3.8
135.11676	5.8
137.09593	2.1
139.11093	2.0
143.08521	2.7
145.10106	10.3
147.08009	2.3
147.11659	8.2
149.09596	14.4
149.13264	1.8
151.11095	2.6
153.12730	2.2
159.11635	7.3
161.13335	1.7
163.11151	11.1
171.11626	2.9
173.11761	1.9
173.13271	4.3
177.12648	1.8
181.12074	2.3
185.13184	1.7
187.11069	2.6
189.11134	4.3
197.13234	2.1
199.14827	3.4
205.12141	3.5
223.13257	9.4
229.14349	1.6
239.18002	3.0
255.15923	4.3
257.18964	4.6
269.17410	10.8
275.17255	2.8
275.20007	25.8
293.21024	12.3
349.23734	18.8
367.24728	100.0
521.19989	1.8
564.32733	2.4
565.19025	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	564.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98586	0.7
53.03931	1.8
55.01868	3.4
55.05265	1.0
55.05505	12.0
57.03431	5.2
57.07063	1.1
61.02909	3.3
62.45001	0.6
65.03919	1.0
67.05495	25.3
69.03408	3.0
69.07057	16.8
69.47906	5.2
70.06570	0.8
71.04971	2.6
79.05013	1.1
79.05478	22.0
81.03408	5.4
81.07043	62.7
83.04969	5.5
83.08609	12.2
84.08134	0.6
85.02892	4.9
85.06524	2.4
89.05994	0.9
91.03935	1.6
91.05463	21.4
93.07032	21.8
93.07629	1.0
95.01295	0.6
95.04955	8.1
95.08592	17.7
97.02875	2.9
97.06528	6.3
97.10141	3.7
99.04398	0.8
99.08094	2.0
103.03932	0.9
103.05423	1.0
105.04471	0.8
105.07013	19.4
105.07692	1.3
107.04928	6.7
107.08574	15.3
109.02879	1.6
109.06497	21.0
109.10149	8.5
111.04409	1.4
111.08065	2.7
111.11770	0.8
115.05486	0.8
117.06988	5.7
119.08563	16.5
121.06506	3.3
121.10127	9.7
123.08062	6.0
123.11694	5.8
125.09611	2.7
127.03896	3.4
129.06987	2.6
131.08533	10.2
133.06494	1.1
133.10107	13.4
135.08035	4.9
135.11676	7.2
137.09593	3.2
137.13245	0.8
139.11122	1.0
141.06906	0.8
143.08519	1.6
145.06490	1.0
145.10109	9.7
147.08037	1.5
147.11688	11.7
149.09613	5.9
149.13205	5.6
151.11130	2.6
155.08554	1.6
157.10078	3.3
159.11661	8.5
161.09610	1.5
161.13246	3.1
163.11153	4.7
163.14786	1.6
163.55104	0.7
165.12671	3.6
169.10126	1.1
171.10269	1.2
171.11691	2.1
173.09616	1.8
173.13228	3.6
175.11189	3.0
177.12747	3.1
179.14265	1.2
181.12093	0.6
183.11673	1.9
187.11066	1.0
187.14781	1.4
189.11177	2.4
189.12733	1.1
191.14259	1.1
193.12267	1.4
195.13760	2.0
195.42249	0.6
197.13177	1.2
201.12749	1.2
207.13766	0.9
227.12726	1.8
229.14456	1.2
229.19513	2.2
239.17986	1.0
245.13831	0.7
247.20615	3.6
255.15921	1.9
257.18884	4.4
269.17410	4.9
275.20026	30.4
293.21100	5.8
293.24048	1.2
339.17911	2.0
349.23669	77.2
350.23901	0.9
367.24738	100.0
368.25171	1.7
402.06036	1.0
419.24207	1.3
437.25391	0.8
511.29102	2.4
529.29944	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	564.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.4
54.95222	0.3
57.03419	0.6
59.04992	6.9
69.03418	1.8
70.06583	3.5
71.05026	1.2
72.08129	0.7
73.02877	0.6
73.06548	1.3
80.52021	0.3
81.03410	0.9
84.08112	2.9
85.02884	4.2
86.06044	0.6
86.09708	0.6
87.04450	4.4
89.06016	100.0
91.05448	0.6
93.07051	0.4
94.06586	0.3
95.08614	0.5
97.02853	1.8
103.07545	2.3
107.04916	0.4
107.07060	2.4
107.08543	0.5
109.02864	0.6
116.07096	0.9
119.04909	0.4
120.08084	0.6
121.06502	0.9
121.10194	0.6
124.03951	0.6
127.03905	1.1
129.05472	0.6
130.08615	3.2
131.07053	1.4
133.08580	52.9
135.08043	0.7
136.07513	0.4
137.02316	0.6
137.05948	0.6
145.04887	0.6
146.08112	0.7
147.04376	0.9
147.10110	1.1
160.75168	0.4
161.05968	0.4
167.07048	0.4
175.09631	0.6
177.05470	0.8
177.11192	17.8
182.08151	0.4
191.12738	1.3
195.12326	1.3
203.07059	0.6
207.06471	0.6
217.12012	0.5
221.13794	4.8
222.59387	0.4
225.07605	0.4
225.12036	0.4
239.14821	3.9
257.12808	0.8
265.16364	0.9
283.17499	4.8
303.09799	0.4
309.19180	0.4
315.04990	0.9
327.20074	59.9
328.20401	0.7
337.27997	0.4
367.23120	0.6
376.18427	0.4
383.07492	1.0
385.24249	49.6
386.24652	0.7
414.11700	0.9
423.09506	0.4
515.12952	0.6
546.15741	0.4
564.32233	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77436	0.4
53.03920	0.9
55.01857	0.9
57.03415	1.4
57.61912	0.4
59.01387	0.5
61.02912	1.7
69.03412	3.2
70.06580	2.2
70.44112	0.7
70.44501	0.7
71.04988	0.5
72.08110	0.8
73.02911	0.8
79.05505	0.7
81.03407	2.2
83.23599	0.4
84.08107	1.1
85.02895	14.0
86.09696	0.4
87.04436	0.5
89.03934	0.7
91.03933	0.8
97.02886	4.3
97.28727	0.5
99.04451	1.1
107.04938	1.5
109.02837	1.2
109.06432	0.4
111.04462	0.5
117.03349	4.3
119.04913	0.7
121.06421	0.4
127.03882	2.5
130.08604	1.5
131.04890	1.4
135.04381	1.2
137.05940	1.7
145.02827	20.6
145.04927	1.9
146.03554	0.5
146.08064	1.3
147.04388	1.0
149.05965	3.4
150.06735	0.5
151.03798	0.9
152.04619	2.6
153.05379	1.0
159.04393	1.1
161.05984	2.3
163.03918	3.8
163.07503	0.7
167.07008	100.0
168.07350	0.7
175.03862	0.4
175.07471	1.0
177.05443	54.7
177.59967	0.5
178.05820	0.6
180.08653	0.9
182.61171	0.4
187.03891	1.9
189.05426	1.5
191.03333	2.9
191.07066	1.9
195.06480	1.7
201.05447	1.2
202.02570	1.7
203.06970	2.4
205.05025	0.9
209.08055	76.6
215.03348	2.4
217.04926	44.2
219.06554	5.4
227.06984	0.9
229.04909	5.6
231.06410	0.8
233.04318	1.1
235.05969	1.6
243.06499	1.8
245.04437	5.4
245.06932	0.6
247.06021	7.8
247.08511	0.8
249.07553	0.7
257.04352	0.5
265.07123	0.9
271.05859	0.8
273.07510	0.9
275.05475	7.6
289.06982	3.4
293.06485	14.7
305.06506	10.5
317.06512	2.5
335.07587	11.4
353.08606	40.8
367.10284	1.1
385.11252	4.3
460.68073	0.5
547.30798	0.5
592.07581	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	2.8
54.84113	1.0
55.01856	2.7
55.05258	1.6
55.05499	18.5
57.03424	8.7
57.07051	3.1
59.04985	1.5
65.03928	2.2
67.05492	59.1
69.07053	18.3
71.04960	4.2
71.08601	1.2
79.05477	39.3
81.03394	1.6
81.07038	100.0
83.04971	5.6
83.08601	10.9
85.06529	5.0
87.70246	1.0
89.06028	1.8
91.05460	28.6
93.07022	39.8
95.04929	4.6
95.08588	47.7
97.06513	6.5
97.10151	3.1
99.08063	4.1
101.05992	1.4
105.07011	37.1
107.04916	1.1
107.08566	27.2
109.06486	4.1
109.10136	18.8
111.08041	1.7
113.05943	1.2
117.06961	5.2
119.08553	30.4
121.10114	26.9
123.08018	4.0
123.10800	2.0
123.11681	27.9
124.41689	0.9
125.09576	1.3
127.07504	1.6
129.06981	2.3
131.08542	10.1
133.10100	10.1
135.07953	1.3
135.11661	11.8
137.09596	1.2
137.13235	5.5
141.09070	1.0
143.08531	1.8
145.10069	8.8
147.11659	50.0
149.09598	1.6
149.13245	7.9
151.11159	1.0
157.10083	2.6
159.11707	6.7
161.13220	5.1
163.11259	1.1
163.14767	2.9
165.12712	23.6
173.13203	5.6
175.11148	3.6
175.14752	2.0
177.12665	1.2
177.16310	1.3
183.13773	2.7
187.14767	2.9
193.12216	3.3
195.13852	1.2
205.15819	1.2
211.13126	1.3
222.11479	1.0
229.14236	7.0
233.22604	1.0
241.19650	0.9
243.20999	7.1
261.22083	31.7
267.15860	47.4
279.23203	5.2
285.16904	52.3
290.96780	1.1
317.24704	8.6
317.99445	1.3
335.25729	49.1
350.59283	1.0
353.26782	3.3
391.98077	1.2
435.32401	1.6
439.10202	1.0
453.33640	3.4
471.34317	3.8
518.17157	1.0
527.37164	9.9
545.38226	31.1
563.38782	7.2
563.47119	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20191	0.3
55.97110	0.4
71.53111	0.6
73.65676	0.3
102.21525	0.4
130.08647	0.5
146.08105	0.7
221.99254	100.0
222.99396	0.6
292.78290	0.4
325.38336	0.4
381.07980	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	564.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.4
55.01859	0.3
55.05493	0.3
57.03405	0.4
59.80946	0.2
63.02404	0.2
64.03696	0.2
65.03918	0.4
67.05470	0.5
69.03408	1.4
69.07031	0.2
70.06573	1.1
71.04985	0.9
71.48891	0.2
71.55614	0.3
72.08125	0.5
73.02913	0.3
73.15219	0.2
79.05480	2.4
80.06295	0.2
81.03402	3.6
81.07036	1.6
82.06577	0.2
83.04948	0.3
84.04486	0.2
84.08117	1.7
85.02505	0.2
85.02893	2.2
86.09707	0.4
90.05517	0.3
91.05464	2.5
93.07017	0.6
95.04953	0.9
95.08570	0.7
97.02859	0.8
97.06519	0.3
99.04427	0.7
103.05405	0.5
105.07011	6.1
107.04913	0.4
107.08572	1.8
109.02850	1.7
109.06496	17.4
110.07109	0.3
113.05995	0.4
115.05413	0.6
116.07060	0.3
117.06976	0.4
119.08552	0.4
120.08014	0.3
121.02755	0.2
121.06470	0.5
121.10103	0.5
123.04398	0.3
123.07996	1.0
127.03886	0.6
129.10257	0.2
130.08624	1.3
131.08482	0.4
132.04427	5.1
133.06468	6.9
133.10083	0.3
135.04530	0.2
135.08012	1.7
136.06229	0.2
137.05966	0.5
145.04967	0.2
146.08064	0.5
147.04393	0.2
151.07513	32.9
152.07809	0.3
153.01851	0.3
160.03883	0.5
161.05956	7.3
161.09575	0.4
163.07556	0.3
167.06865	0.2
169.08571	0.5
177.05421	0.5
178.04956	57.6
179.05318	0.7
179.06998	1.8
180.08806	0.3
197.08054	21.7
198.08394	0.2
206.04442	100.0
206.37585	0.2
207.04831	1.5
213.16309	0.2
215.09131	0.9
220.11699	0.4
223.13298	0.2
232.00725	0.4
234.15028	0.2
237.07550	0.6
242.48912	0.2
252.09862	1.1
258.07590	0.3
283.04697	0.5
316.02707	0.5
341.12256	4.7
344.02298	0.2
354.26663	0.2
359.13297	4.9
368.09528	0.2
372.01593	1.2
418.02176	2.5
445.20651	0.2
518.16644	0.3
532.27277	0.4
546.15826	0.3
564.16968	15.8
565.17560	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	2.0
55.05501	16.9
57.03432	8.7
57.07073	8.1
57.58876	1.5
59.04985	2.1
60.51793	1.4
62.77332	1.6
65.03928	2.5
67.05494	62.5
67.42121	1.4
69.03392	1.6
69.07058	17.3
69.87631	7.3
71.04980	5.0
71.08620	5.0
73.39204	1.5
77.00587	3.5
79.05484	42.3
81.03407	3.4
81.07044	100.0
83.04967	7.4
83.08598	9.2
85.06522	4.3
85.10165	2.7
87.04440	2.6
89.06010	5.7
89.33959	1.6
91.05460	29.3
93.06588	0.9
93.07024	42.4
95.01625	15.8
95.04950	6.2
95.08590	53.1
96.01575	1.5
97.06486	7.0
97.10153	5.4
98.21374	2.1
99.08076	2.3
101.06020	1.6
105.07014	35.1
107.08578	31.5
108.17831	1.5
109.06500	4.6
109.10144	20.6
110.96708	1.3
111.08069	1.9
117.07025	6.4
118.03186	3.7
119.08558	27.6
121.06519	1.4
121.10118	29.0
123.08064	3.5
123.11696	27.6
127.07552	1.9
129.07010	2.1
131.08539	11.9
133.08598	2.2
133.10089	10.6
135.11662	9.7
137.13240	4.9
141.79318	1.7
143.08540	2.3
145.06758	3.7
145.10094	10.2
147.04686	10.0
147.11667	45.0
148.04897	3.7
149.13203	7.5
157.10121	3.5
159.11597	7.0
161.13252	4.1
163.11044	1.5
163.14819	4.4
165.12735	20.2
173.13240	6.9
175.11113	1.9
175.14713	2.0
183.13792	2.2
185.13219	2.5
187.14763	2.8
189.09383	2.1
190.47667	1.5
191.07256	2.8
193.12317	2.7
201.16400	1.7
229.14403	4.3
233.19237	2.4
239.09576	2.2
243.21036	6.1
261.22119	27.6
267.15878	38.9
279.23132	3.7
280.48129	1.4
285.16876	34.9
317.24945	7.3
335.25748	59.8
353.26752	1.9
471.34799	3.2
494.25809	2.0
527.37219	7.4
545.38293	34.5
546.38049	1.5
563.25739	1.7
563.39435	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	563.3931
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67450	0.8
50.71170	0.6
50.81838	0.8
53.03928	1.9
55.01858	1.6
55.05254	1.3
55.05499	14.4
57.03425	9.8
57.07052	2.6
61.85050	0.8
65.03927	1.9
67.05489	58.0
69.03395	1.7
69.07050	17.1
69.74438	4.6
71.04980	2.5
71.08611	0.8
77.03877	0.9
79.05476	31.5
81.07036	100.0
82.07370	1.2
83.04965	5.8
83.08601	10.4
84.08118	1.4
85.06509	4.8
91.05460	29.2
93.07020	35.7
95.04946	4.2
95.08585	49.0
97.06506	5.6
97.10134	2.4
98.21548	1.6
99.08039	3.9
105.07008	34.3
107.04980	1.1
107.08572	23.8
109.06496	4.4
109.09442	1.7
109.10134	18.3
111.08028	1.1
117.06983	5.2
119.08557	29.1
121.10115	29.0
123.08026	3.8
123.11674	27.1
127.07504	2.1
129.06976	1.4
130.08652	2.3
131.08533	9.2
133.10103	9.3
135.11659	12.3
137.09601	1.3
137.13188	4.7
145.10121	6.6
147.11650	53.3
149.09563	0.9
149.13199	6.9
151.14780	1.1
153.05363	1.4
153.88316	0.8
157.10095	2.7
159.11673	7.8
161.13237	3.6
163.11115	1.0
163.14813	3.9
165.12720	24.3
171.11623	1.0
173.13223	4.6
175.11156	2.8
175.14784	1.2
177.16357	0.9
179.14259	1.3
183.13821	4.1
187.14784	2.9
192.24808	0.9
193.12239	2.6
229.14249	6.8
233.22527	1.6
243.21074	7.4
261.22070	31.1
267.12918	1.9
267.15854	44.4
279.23105	6.1
285.16901	54.3
317.24799	6.6
330.02896	0.8
335.25717	45.8
336.25867	1.0
339.79352	0.9
353.26733	5.3
453.33627	1.9
459.57465	0.9
471.34512	3.7
527.37396	6.7
545.38239	28.1
546.37842	1.0
563.35010	23.0
564.36139	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	563.3933
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.6
53.68936	0.8
55.01861	1.9
55.05499	13.6
57.02156	0.9
57.03426	9.1
57.07055	3.1
65.03934	2.6
67.05495	56.0
69.03416	1.8
69.07059	18.4
69.84145	1.8
69.84563	3.4
71.04971	3.9
71.08627	1.3
79.05478	28.9
81.03409	1.8
81.07043	100.0
82.07365	1.3
83.04964	4.6
83.08606	9.0
84.08125	1.0
85.02870	1.5
85.06534	4.4
85.10170	1.0
91.05466	25.3
93.07030	36.8
93.07638	2.1
94.83191	0.8
95.04940	2.9
95.08593	45.9
97.02866	1.5
97.06508	6.7
97.10166	2.6
99.04437	2.0
99.08063	3.7
99.19843	0.9
105.07015	31.7
107.07871	1.4
107.08581	28.2
109.02883	1.2
109.06501	3.7
109.10144	18.0
111.04415	1.3
113.05945	1.0
116.93359	0.8
117.07008	5.9
119.08562	25.9
121.10120	30.4
123.08047	4.4
123.11678	24.7
125.09590	1.3
127.03873	2.2
127.07531	2.1
130.08629	3.1
131.08566	9.6
131.31525	0.8
133.10104	9.8
135.11678	13.0
137.09599	1.2
137.13231	5.1
145.10089	7.3
147.11665	49.5
148.11986	1.0
149.13239	6.7
155.71875	0.9
157.10086	3.1
159.11644	6.4
161.13278	4.7
163.14806	3.5
165.12721	22.2
173.13210	5.6
174.07167	0.8
175.11159	2.3
175.14755	2.5
177.16316	1.2
183.13770	2.7
185.13168	1.1
187.14816	2.9
199.14825	0.8
201.16333	1.1
229.14368	5.9
233.22592	1.9
239.23532	1.6
243.21036	6.6
261.22098	33.4
262.22552	1.5
267.15881	43.4
277.21771	0.9
279.23138	5.8
285.16904	42.0
286.17184	1.6
317.24673	7.2
327.24008	0.9
335.25742	68.2
336.26038	2.7
353.26630	1.5
359.43469	1.0
429.39810	1.0
453.33536	2.5
471.34531	2.3
527.37097	6.0
545.38300	29.2
546.38745	2.1
563.38007	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	562.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40337	1.5
52.18670	1.5
53.03924	2.3
53.15765	1.4
55.01854	2.4
55.05500	16.5
57.03413	4.6
61.02916	1.6
65.68238	1.2
67.05492	16.4
69.03410	5.5
69.07055	15.6
71.52542	2.4
79.05482	14.7
81.03392	5.5
81.07047	11.9
83.04991	3.0
83.08595	6.0
83.56319	1.4
85.02875	5.2
91.05455	9.6
92.64574	1.7
93.07017	12.0
95.04965	7.1
95.08594	9.0
97.02895	8.9
97.06506	2.1
97.10158	8.9
102.65147	1.6
105.06998	8.8
107.04935	3.0
107.08583	8.0
109.06494	3.2
109.10116	5.4
115.03947	2.0
117.06991	4.3
119.08557	6.6
121.06493	2.7
121.10104	6.5
123.08091	2.3
125.09610	7.7
129.06952	4.1
131.04845	2.0
131.08546	4.6
133.06413	2.3
133.10115	5.1
135.08031	5.7
137.99390	1.8
144.22757	1.6
145.10112	4.6
147.08003	2.7
147.11615	2.1
157.10095	2.4
159.11664	2.3
161.09616	2.3
175.11147	2.0
177.12642	1.7
189.11235	3.5
193.12163	4.4
205.12126	1.6
211.13280	2.3
223.13274	12.0
227.12634	3.0
249.14841	2.8
267.15704	2.2
273.18423	6.4
285.16904	11.1
291.19507	69.0
347.22025	2.3
365.23169	100.0
366.23294	4.0
394.79514	1.5
507.11200	1.8
517.17090	1.6
552.91235	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	561.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.9
55.01610	1.6
55.01860	15.1
55.05502	16.1
57.03425	13.2
57.07063	1.7
61.02919	5.0
65.03922	3.5
67.01838	1.2
67.05492	67.8
69.03417	40.7
69.07056	16.3
70.73949	3.6
71.04974	6.5
73.02905	36.4
73.03236	0.6
75.04459	1.2
79.05478	37.9
81.03401	29.0
81.03844	1.9
81.07042	69.0
83.04967	10.1
83.08611	8.6
85.02889	25.5
85.06514	1.8
87.04480	1.3
91.05463	27.3
91.06002	1.9
93.03392	2.4
93.07027	47.6
95.04942	7.1
95.08588	58.4
97.02875	12.5
97.06522	4.3
97.10160	3.8
99.04442	16.9
99.08079	2.3
103.03937	1.1
105.07015	18.9
105.91223	0.9
107.04932	1.5
107.08572	24.6
109.02864	48.4
109.06491	2.4
109.10134	30.1
110.03650	7.8
111.04420	45.2
111.08073	2.8
111.11729	1.3
115.87496	1.0
116.06194	1.3
117.07005	9.1
119.08549	14.9
121.10123	27.5
123.08064	2.1
123.11685	12.5
125.09619	1.9
127.02972	1.5
127.03891	26.8
127.04782	1.6
129.05409	1.2
129.06990	2.5
131.08543	16.8
132.99529	18.8
133.10094	12.5
135.01077	1.1
135.11671	19.5
137.09529	1.6
137.13231	5.4
139.11246	1.9
143.08533	2.4
145.10095	13.8
147.11668	11.5
149.09610	2.1
149.13240	12.7
151.00539	5.4
151.11157	1.7
151.14839	2.1
153.12726	2.0
155.00034	1.2
157.10197	1.9
159.11667	10.4
161.13206	10.0
163.11215	2.3
163.14777	5.8
165.12759	2.3
171.11694	1.5
172.99013	5.9
173.13235	10.3
175.14822	3.3
177.12764	1.8
177.16324	2.4
179.14339	1.1
181.10158	1.5
181.12152	1.2
183.11682	1.1
185.13272	2.0
187.14758	5.6
191.00066	22.0
191.10715	1.5
199.14868	1.3
201.16425	2.6
209.01086	7.8
213.78374	1.1
227.02023	1.1
227.12759	2.2
243.21069	9.0
259.20657	1.1
261.22092	32.1
261.24792	1.9
271.20770	1.0
277.21304	1.0
279.23145	2.2
283.15427	2.2
303.23569	1.3
317.24655	6.1
335.25739	32.2
343.26636	1.2
377.26971	1.6
382.42010	1.1
421.46716	1.0
444.10132	1.5
453.68298	1.0
543.25989	1.5
543.36737	4.1
561.27258	100.0
561.37427	10.9
562.27222	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	561.3775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.0
55.01857	9.2
55.05499	17.9
57.03413	4.8
57.07050	4.4
59.04997	2.8
62.28036	2.0
65.03914	5.0
66.91695	2.0
67.05491	80.9
69.07057	17.4
70.06580	10.1
70.80281	2.2
70.80618	4.8
71.04974	6.8
71.08598	2.8
79.05005	3.9
79.05472	72.3
79.58768	2.1
81.03397	5.5
81.07037	73.3
83.04959	22.9
83.08601	9.8
85.02920	2.4
85.06516	4.2
89.06036	2.4
91.05460	38.6
93.07024	67.0
93.07617	3.2
95.04936	14.8
95.08590	49.2
97.06516	10.0
97.10149	5.4
99.04440	5.0
103.05450	2.9
105.07005	27.6
107.04921	13.8
107.08567	41.6
109.06519	5.5
109.10139	21.5
111.04418	29.4
111.08075	8.0
116.07073	12.2
117.06989	15.0
119.08542	24.8
121.06511	5.3
121.10119	36.7
123.08042	3.1
123.11680	7.4
125.05945	3.6
125.09610	3.2
129.07008	5.5
131.08534	20.0
133.10097	15.3
135.08093	4.5
135.11671	36.6
137.09666	2.0
139.11151	2.1
143.08478	3.9
145.06415	2.8
145.10098	25.2
147.08008	2.5
147.11629	10.6
149.09621	8.0
149.13245	7.4
151.11209	2.7
153.12679	13.5
155.08508	5.4
159.11696	6.7
161.13248	5.3
163.11154	28.9
171.11577	2.5
173.09525	12.5
173.13277	7.5
175.14799	3.4
181.12198	20.9
187.14766	3.2
191.10626	19.4
197.13336	2.5
201.16415	2.4
209.11781	7.3
227.12732	24.9
229.00580	2.3
231.03293	2.0
243.21114	4.3
259.20468	2.5
261.22067	17.1
265.14319	6.2
267.15723	2.2
277.21817	4.2
283.15356	33.9
315.23370	3.2
317.24667	4.9
335.25833	7.6
451.32111	4.0
469.32831	5.3
515.37579	8.5
525.35809	6.9
543.36768	27.6
561.37836	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	26.0
57.07057	19.0
67.05492	100.0
69.07051	27.2
71.08617	54.7
71.53578	11.8
71.53971	18.7
71.82446	11.3
79.05487	41.8
81.03413	15.1
81.07041	88.8
83.04948	14.0
83.08598	23.9
83.96955	12.3
84.08126	56.4
85.10155	22.4
87.04444	18.2
89.06036	68.6
91.05478	37.1
93.07034	41.0
94.97953	12.7
95.08596	47.4
97.10139	14.2
105.06990	33.3
107.08586	33.3
109.10139	71.4
119.08540	17.2
121.10136	33.2
123.11706	27.5
126.10075	15.1
130.08643	63.1
133.08594	47.3
133.10133	23.0
135.11682	19.3
137.73262	12.7
145.10101	15.2
147.11604	21.1
149.13255	14.7
173.13315	20.8
177.11227	15.8
187.14810	13.6
193.03220	34.7
199.78357	14.9
209.39867	14.9
243.21097	23.5
258.33530	12.5
261.22070	84.0
265.84955	12.5
276.20322	15.9
334.05258	12.2
335.25851	15.4
353.26782	46.3
371.23993	18.0
383.24207	24.3
525.35278	17.0
542.35065	21.4
560.36786	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	561.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
70.95990	0.7
74.02451	0.5
80.61222	0.4
91.05450	1.0
102.32673	0.4
115.05428	1.1
117.05756	0.5
117.06998	1.1
118.06529	16.9
130.06467	0.6
132.08080	5.4
142.06485	2.1
143.07269	2.4
144.08063	11.7
146.05984	59.0
147.04356	1.0
147.06264	0.5
159.09161	6.3
160.07629	0.7
170.05971	3.2
188.07036	100.0
189.07364	1.1
205.09692	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	560.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	9.4
55.05486	18.1
55.19995	9.0
67.05493	67.9
69.07051	22.9
69.27481	13.0
69.27808	100.0
79.05485	39.5
81.07035	76.5
83.08611	16.4
85.06568	11.4
91.05447	25.7
93.07037	44.0
95.08575	46.1
105.06988	19.1
105.55376	9.4
107.08590	24.0
109.10134	47.5
117.07027	17.2
119.08545	23.7
121.10114	25.9
123.11716	14.7
130.08604	11.8
131.08534	9.3
133.10115	14.9
135.11659	17.6
137.13326	11.8
143.54660	8.5
143.70947	10.2
145.10123	14.9
147.11646	13.0
149.13228	17.3
161.13203	13.6
163.14807	12.6
173.13252	13.5
184.23045	9.3
191.10715	9.4
203.35767	8.8
243.20911	45.2
252.58517	9.8
261.22073	90.2
286.40457	11.1
326.19641	12.3
335.25824	33.4
353.26907	48.7
383.24185	10.9
560.36896	18.8
561.26898	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	560.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53143	0.1
52.97332	0.1
53.03931	0.4
55.01870	0.3
55.05500	4.6
57.03413	0.3
57.07063	18.0
61.02909	0.2
65.03927	0.6
68.99770	0.2
69.03421	1.4
70.06556	0.1
70.16162	0.5
71.04977	0.1
73.02905	0.3
73.06533	1.1
81.03400	1.3
85.02891	2.9
87.00810	1.3
91.05445	0.3
93.03373	0.1
97.02864	1.3
98.20766	0.2
99.04448	0.6
105.01847	0.9
109.02864	0.9
111.04458	0.1
113.81828	0.1
117.01843	0.3
121.02851	1.8
127.03892	1.6
129.01817	0.1
129.06978	0.4
130.04105	0.1
131.08534	0.4
135.26740	0.1
143.04892	0.3
145.04933	0.7
149.02310	100.0
150.02678	0.5
157.06401	0.2
159.02878	0.6
161.05948	1.4
167.03383	1.6
175.07504	4.1
185.05984	0.2
190.04921	0.7
203.05040	0.2
203.06985	5.6
205.08562	9.7
221.08051	1.7
223.09575	0.4
231.04848	0.2
277.14288	41.8
278.14520	0.2
295.15329	4.2
329.01358	0.2
405.58395	0.2
406.07764	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	560.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.6
55.01863	2.3
55.05508	0.6
57.03426	2.1
59.04988	0.3
60.04506	0.3
61.02905	1.2
67.05491	0.9
68.99784	0.6
69.03417	7.2
69.07040	1.3
70.04065	100.0
70.06583	1.7
70.44310	1.0
71.04990	0.9
72.08162	0.5
73.02901	2.4
74.02440	0.3
79.05476	0.7
81.03404	6.8
81.07030	1.7
83.01327	0.3
83.04971	0.5
84.04500	0.4
84.08142	0.8
85.02891	22.0
85.06516	0.3
86.06034	0.4
86.09689	0.6
87.00817	7.2
87.04448	0.9
89.00777	0.2
89.06028	0.3
91.03935	0.6
91.05458	0.6
93.07017	0.9
95.04958	0.4
95.08607	0.9
97.02877	10.3
97.06516	2.0
99.04443	4.4
99.05028	0.4
99.08069	1.5
100.11226	0.3
101.02364	0.3
101.06012	0.5
103.03907	0.5
104.07124	0.7
105.01847	9.5
105.07036	0.8
105.54543	0.2
107.08571	0.5
109.02862	8.2
109.03588	0.5
109.10159	0.7
111.04470	0.3
111.08092	0.3
115.03934	0.3
115.07556	2.3
117.01858	1.1
118.88239	0.2
119.08569	0.7
121.06537	0.2
121.10130	0.7
121.16351	0.2
122.10448	0.3
123.08044	0.3
123.11681	1.2
125.02346	0.6
127.03896	19.7
129.01823	1.0
129.10307	0.3
130.08623	0.8
131.04874	0.4
131.08565	0.5
131.26440	0.3
133.06499	0.3
133.08623	0.4
133.10114	0.6
135.08064	0.3
135.11586	0.2
137.13181	0.5
145.04933	11.4
145.10063	0.4
147.02863	0.9
147.08044	0.3
147.11635	0.4
149.09557	0.3
157.08725	0.3
157.10147	0.4
159.02867	6.6
159.04117	0.4
159.11644	0.3
162.07729	0.3
163.11153	0.3
165.12740	0.3
167.10637	0.7
171.03003	0.3
177.03955	0.8
179.18007	0.4
183.03206	0.3
188.81938	0.3
189.03949	1.1
197.15401	1.0
197.18997	0.3
199.09628	0.8
213.03844	1.2
223.09598	1.2
231.04976	5.9
231.07191	0.3
241.10663	0.4
247.04558	0.3
249.06075	1.3
266.08789	0.4
318.09268	5.4
339.05148	0.3
345.11960	0.4
414.11923	0.8
430.24142	0.4
559.92133	0.3
560.31488	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.5
55.01871	2.6
55.05503	23.3
57.03434	15.3
57.07058	14.1
59.04996	4.5
59.33915	2.0
65.03931	4.9
67.05494	88.5
69.07059	19.2
69.36241	17.1
71.04996	3.4
71.08615	13.7
77.83694	2.2
79.05481	89.9
81.03399	5.7
81.07043	88.5
81.07434	1.9
83.04973	14.0
83.08596	9.8
85.06522	3.8
85.10165	6.8
87.04446	4.9
88.07615	3.0
89.06021	6.7
90.01916	3.9
91.05460	65.5
91.06005	4.6
91.13756	2.2
91.93908	2.2
93.07028	96.8
93.07626	5.0
95.04948	20.4
95.08596	59.4
97.06524	7.8
97.10164	3.6
105.07012	45.9
107.04950	5.6
107.08580	28.9
108.15842	2.2
108.71674	2.0
109.06490	6.2
109.10152	17.1
111.08072	3.7
117.06963	12.0
117.09155	2.1
119.08567	30.0
121.10130	21.7
121.14317	2.1
123.08032	5.8
123.11709	5.9
127.07549	2.1
128.06255	2.5
129.06963	14.9
130.92892	1.9
131.08575	14.7
133.08580	4.2
133.10098	17.2
135.11699	17.2
141.07062	2.3
143.08559	9.2
145.10080	15.0
147.11653	36.3
149.13202	7.3
150.97719	2.0
152.70752	1.9
152.71915	2.5
155.08549	3.1
156.21281	2.2
157.10143	4.0
159.11668	9.4
161.09491	3.8
161.13211	13.7
163.14803	3.1
164.88982	2.3
169.10086	3.6
171.11646	22.7
173.13281	7.1
177.12798	2.4
183.11569	2.2
187.14745	3.0
189.12755	10.5
199.14818	2.7
201.16321	2.7
207.13774	22.5
225.14713	4.1
243.21107	3.7
256.26364	4.8
257.26596	3.5
261.22058	14.1
279.15762	5.3
281.17419	51.8
317.24631	3.4
335.25790	32.5
449.33926	5.0
529.38635	3.1
541.38824	100.0
542.39069	5.3
559.37933	18.8
559.45166	3.1
582.25580	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	559.4866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58940	2.3
53.03934	4.2
54.93384	2.0
55.05503	15.7
57.07067	7.4
64.74947	2.4
65.03935	2.9
67.05491	43.2
69.07055	40.6
71.08629	4.7
71.53430	4.4
79.05482	19.2
81.07043	100.0
81.14397	1.9
83.04967	3.0
83.08601	16.8
85.06559	5.0
91.05455	18.9
91.32957	2.1
93.07025	46.6
95.04957	3.0
95.07973	4.0
95.08590	83.9
97.06552	3.1
97.10176	8.1
102.84651	2.1
105.07015	41.6
107.08576	66.8
109.06535	3.2
109.10134	59.5
111.08060	3.8
111.11739	3.4
117.07029	4.9
119.08560	42.5
121.10119	51.6
123.08097	2.9
123.11687	24.1
125.09612	2.8
129.06993	3.0
131.08549	17.6
133.10115	32.7
135.11671	36.4
137.09576	2.6
137.13219	10.8
137.90115	2.1
143.08546	7.1
145.10089	23.5
147.11665	27.9
149.13257	30.9
157.10139	8.9
158.10721	2.4
159.11693	20.9
161.13254	24.7
163.14830	15.2
165.12729	3.3
169.10069	6.1
171.11702	11.8
173.13229	19.8
175.14798	16.3
177.12697	2.5
177.16408	9.7
183.11714	5.8
185.13231	10.3
187.14803	16.5
189.16330	14.1
191.17906	5.0
197.13278	4.5
199.14833	8.7
201.16331	14.2
203.17943	12.4
209.13414	2.2
211.14803	4.9
212.86853	2.5
213.16391	7.9
215.17982	8.3
217.19589	4.6
225.16269	3.9
227.17906	4.3
229.19498	5.1
231.21109	5.0
239.18030	4.1
241.19553	3.4
243.21176	4.2
249.24974	2.4
253.19618	3.1
255.21094	5.6
257.22644	4.5
259.24286	2.3
267.21143	2.2
269.17459	7.1
269.22797	3.0
271.24182	4.3
281.22659	4.6
283.24258	4.4
287.18555	6.9
293.11630	2.3
295.24228	2.6
297.25894	5.1
313.27350	4.5
323.27380	3.3
325.29047	2.5
337.28833	4.2
381.31439	2.2
459.39569	2.3
525.41272	4.6
541.47583	14.6
559.48712	79.5
560.49060	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	558.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33615	0.5
53.03930	0.8
55.01853	0.9
55.05293	0.6
55.05502	5.7
57.03415	0.6
57.07058	1.1
59.04969	1.4
60.46277	0.5
61.04529	0.5
67.05500	2.5
69.03419	4.4
69.07055	10.6
70.06573	1.4
71.04973	2.2
71.14485	1.1
72.08146	13.8
73.02883	0.7
78.57591	0.5
79.05479	4.7
81.03397	3.0
81.07042	12.2
83.08609	5.7
84.08114	0.7
85.02892	8.3
85.06513	2.1
86.09701	4.6
87.00812	3.4
91.05473	2.9
93.07030	11.8
95.08591	24.8
97.02873	5.4
97.10155	3.2
99.04404	0.8
99.07475	0.9
99.08077	12.8
100.11208	0.5
105.01857	7.9
105.07030	2.8
106.03313	0.5
107.08575	26.7
108.04426	1.2
109.02867	3.1
109.06461	0.7
109.10130	7.1
111.08053	4.3
113.09640	0.9
119.08538	1.1
120.91158	0.6
121.10123	47.5
123.08002	0.6
123.11655	1.4
125.09618	5.3
127.03887	8.6
131.38918	0.5
135.11676	10.7
137.13234	5.5
139.11162	0.7
141.63223	0.6
145.04903	2.6
149.13213	3.0
158.02628	0.5
169.09688	0.6
177.16357	100.0
178.16681	1.5
185.16455	0.8
187.10710	1.7
195.17410	28.5
213.18459	21.8
215.10286	2.8
231.05003	1.6
245.18541	1.6
249.06070	3.4
266.08698	4.2
283.87839	0.6
284.09729	1.8
314.16953	4.1
328.18570	0.6
340.25912	1.1
342.32059	0.6
427.25375	1.2
447.45001	0.5
461.23978	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59325	1.0
55.01867	2.6
55.05513	1.3
58.78150	0.8
60.39790	0.9
61.22072	1.0
65.03934	1.3
67.05493	1.3
69.03400	1.1
69.80556	5.9
70.06580	1.2
71.47180	1.0
72.49944	1.0
79.05500	3.1
80.76332	0.9
81.03448	1.0
81.07050	3.6
85.02895	1.5
85.06503	1.9
91.05473	15.6
93.07037	2.7
94.04218	1.5
95.04971	1.8
95.08610	1.8
97.02913	1.0
97.06521	1.8
103.05444	13.1
105.03437	1.2
105.07008	9.8
107.04944	25.6
107.08591	2.9
109.06499	2.4
109.10181	1.5
115.05440	3.6
117.07033	2.5
119.04925	14.8
121.06481	6.0
122.03631	5.2
123.08025	1.4
128.06195	1.0
129.06990	4.5
130.04144	1.9
131.04906	12.9
131.08530	1.1
133.02847	1.8
133.06479	7.1
135.04382	1.6
135.08020	7.3
136.05188	2.1
136.07594	1.3
137.05960	83.1
143.06027	1.1
145.06520	1.4
146.07245	3.3
147.04396	13.9
148.05141	2.2
149.05951	7.4
150.06813	1.6
151.06271	2.2
151.07518	53.6
157.06454	7.3
161.05956	87.0
161.09575	19.7
162.06734	9.4
163.07513	41.7
163.11214	1.1
164.07039	2.1
165.05579	1.1
165.07097	2.9
165.09059	1.5
167.08589	3.8
174.06725	5.4
175.07512	13.9
177.09102	4.0
179.07039	5.6
179.08472	1.1
181.08585	12.2
181.10049	1.6
189.09084	62.7
191.06987	3.0
193.06328	1.0
193.10085	2.2
195.08063	7.2
195.09753	1.4
205.06654	1.4
207.10130	100.0
209.09592	1.8
212.08253	1.4
219.08067	1.7
219.10081	8.0
221.06070	2.5
221.09631	3.7
222.06760	1.3
223.07489	4.5
224.08347	1.7
225.09074	2.7
227.10611	10.7
237.09041	1.1
240.07660	1.6
249.08998	2.4
252.07826	1.4
253.08562	5.3
253.12311	5.9
255.10124	11.1
265.08432	2.1
267.10144	1.9
269.08316	1.6
269.11624	1.7
281.11630	3.9
285.11133	11.4
287.12714	39.7
293.11563	1.6
297.11200	2.7
299.12772	6.2
301.14462	1.3
311.12723	13.8
313.14264	41.0
325.14304	2.9
331.15338	89.7
343.15372	10.4
412.10074	2.3
558.16449	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	557.4405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.7
55.01852	2.1
55.05503	41.9
57.03429	22.4
57.07069	47.7
59.04980	2.2
65.03930	1.5
67.05495	48.9
69.03423	1.3
69.07058	56.7
69.21764	8.3
70.06561	0.9
71.04967	3.1
71.08621	32.6
75.04472	5.1
76.90949	0.8
79.05475	15.3
81.07043	63.7
83.04949	2.8
83.08606	49.3
85.06529	2.6
85.10168	15.7
87.04408	0.9
89.05994	2.0
91.05458	4.2
93.06463	1.7
93.07030	22.7
95.04959	1.1
95.08594	61.7
97.06516	12.4
97.10155	34.2
99.08102	2.8
99.11712	1.4
101.06028	0.8
105.07025	3.6
107.08573	17.0
109.10140	31.3
111.08060	7.3
111.11713	11.6
112.02148	0.9
113.05994	1.9
115.07559	2.7
119.08508	2.1
121.10124	23.9
123.11680	12.0
125.09632	6.2
125.13271	2.7
127.14766	1.1
127.87679	0.8
129.09093	1.7
131.07024	3.6
131.08545	1.6
133.10146	1.2
135.11661	18.2
137.13219	4.6
137.27850	0.9
139.11111	4.2
143.10670	1.1
145.10129	1.3
145.26448	0.8
147.11710	1.8
149.13240	9.6
151.14784	1.7
153.12744	2.9
156.10596	0.8
157.12314	1.6
163.14813	5.5
165.16429	1.2
167.14325	3.2
175.14841	1.0
177.16347	3.9
181.15845	2.1
185.15398	1.2
191.17928	2.7
195.17459	1.2
199.16840	1.3
205.19510	1.4
209.19087	1.8
213.18503	1.4
219.20985	1.3
223.20503	1.2
237.21933	1.2
241.21645	1.2
265.25229	1.2
277.25189	1.0
291.26871	0.9
345.35001	4.2
355.33527	1.9
363.36148	9.4
373.34598	11.1
383.99988	1.0
391.35641	40.8
409.36423	1.6
427.37775	60.5
428.37943	1.3
447.38562	0.9
465.33786	0.7
465.39325	48.5
483.40378	64.0
484.40753	1.7
539.43011	23.0
557.44061	100.0
558.44287	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	557.4399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.7
53.85083	1.2
55.01865	2.5
55.05227	2.6
55.05500	56.3
57.03426	37.3
57.07065	73.7
58.07389	1.5
58.64312	1.4
59.04987	9.6
65.03923	2.3
67.05490	63.2
69.03418	2.6
69.07055	78.1
69.85447	6.7
71.04964	2.9
71.08617	50.9
73.06547	3.1
75.04469	11.3
79.05470	19.8
81.07040	84.0
83.04965	3.9
83.08605	54.4
85.06532	4.1
85.10168	27.4
87.04456	2.2
89.06007	12.5
91.05487	4.4
93.07024	32.9
93.07621	1.6
95.04945	1.6
95.08588	83.4
96.53061	1.1
96.53757	1.4
97.06503	14.5
97.10152	45.3
98.20763	1.5
99.08091	2.3
99.11731	3.4
101.05979	1.5
105.06986	2.5
107.08568	18.7
109.10129	34.9
111.08068	7.7
111.11707	14.2
113.05981	5.3
115.07555	3.0
117.09097	2.8
119.08569	2.5
121.10110	32.6
123.11694	15.2
125.09587	8.0
125.13296	3.0
127.14880	1.2
129.09122	2.2
131.07004	9.8
131.08568	1.3
133.08557	6.8
133.10123	1.5
135.11670	23.4
137.13232	6.4
137.92607	1.2
139.09474	1.4
139.11148	8.4
143.10638	2.0
149.13206	12.5
151.14807	2.3
153.12752	5.0
161.13255	1.5
163.14758	7.5
165.16394	1.4
167.14345	3.6
171.13766	1.7
177.11220	4.0
177.16351	4.4
181.15860	2.5
191.18045	1.7
195.17476	2.0
198.88972	1.5
199.16951	2.4
205.19623	2.2
209.19040	2.3
219.21049	1.7
223.20589	2.3
233.68790	1.5
240.99992	1.4
265.25473	1.4
277.25223	1.5
283.26407	1.8
291.26682	2.1
314.04059	1.5
319.11279	1.4
340.00031	1.3
345.35144	5.1
355.33615	3.5
363.36133	12.3
373.34567	11.0
391.35596	48.1
409.36993	1.5
427.37735	72.1
428.38113	1.9
465.39316	54.7
483.40381	82.4
539.42944	42.8
540.43225	1.6
557.44019	100.0
558.44275	2.9
566.06647	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	2.6
57.03419	4.2
57.07066	100.0
58.04203	7.3
59.04992	40.6
60.04523	1.2
61.53220	0.9
65.00424	0.9
67.05472	2.8
68.63914	0.9
69.07036	4.3
69.20149	2.6
69.20566	9.4
70.25125	0.9
71.04955	1.2
71.08620	93.0
72.05764	9.8
73.02892	4.6
73.06537	11.4
75.04446	1.4
81.07043	4.5
82.07816	2.0
83.08588	5.5
85.10167	84.6
86.03709	1.4
86.07304	2.3
87.04449	12.6
87.08088	2.9
88.05225	3.0
88.07637	1.6
89.06010	18.6
90.01897	34.9
95.08588	3.1
96.09382	1.4
97.10133	3.4
98.21479	1.7
99.11716	11.5
100.08848	1.1
101.06001	2.2
101.09642	1.6
102.05521	1.6
103.07565	9.5
105.06959	1.6
107.07061	1.5
107.08515	1.1
109.10119	1.6
110.10860	1.8
111.11699	1.9
113.13242	2.3
115.07513	2.2
116.08329	2.9
117.09119	11.1
125.13232	1.3
131.07033	1.1
133.08572	11.0
135.10086	1.3
138.14014	1.3
141.16327	7.0
145.08554	1.6
147.10147	1.8
152.15523	2.5
155.08586	1.1
155.17928	4.9
161.11725	2.0
165.11234	1.9
169.15884	2.8
177.11221	3.8
178.07088	7.1
179.12737	3.4
183.17436	3.9
198.19753	2.5
199.20560	13.6
204.86736	1.0
208.15392	2.7
209.13774	1.4
212.21298	3.2
213.22090	4.7
222.09665	8.8
222.16949	1.6
223.15393	2.0
224.14789	1.2
227.20038	1.6
237.16937	2.5
240.23299	2.4
241.15050	1.4
252.17912	2.0
253.16426	2.4
257.24634	9.4
266.12366	3.6
267.17984	1.7
268.17725	1.5
273.24164	1.3
284.13272	4.5
310.22235	1.1
324.23550	1.1
328.16010	7.1
342.17487	3.1
379.65741	1.1
386.19928	1.8
406.35199	12.6
425.33289	1.3
450.37695	1.2
466.36905	2.1
546.42657	1.1
557.40247	8.7
557.53162	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	557.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	6.0
55.05503	17.6
55.23000	1.4
56.05034	2.4
57.03411	5.9
57.07069	8.9
59.04980	5.2
59.26513	1.7
60.04516	2.2
61.02904	3.6
65.03909	2.4
67.05488	29.3
69.03419	20.4
69.07055	32.6
69.30938	8.9
69.31367	7.7
70.06576	15.3
71.04648	1.9
71.04984	15.5
72.08128	6.3
73.02885	3.6
73.06514	3.2
75.04417	1.4
79.05478	23.3
81.03406	4.8
81.07043	100.0
83.04961	11.1
83.08608	9.5
84.04452	3.4
84.08145	7.9
85.02431	1.9
85.02888	18.0
85.06531	78.3
86.09694	7.8
88.02186	1.9
91.05460	25.0
93.06480	3.2
93.07030	49.9
93.07623	3.0
95.04955	23.9
95.08593	64.5
97.02846	9.2
97.06515	23.7
97.10147	6.5
99.04421	5.4
99.08081	14.7
100.07640	2.0
101.05977	5.6
103.05450	9.6
105.01833	4.6
105.07014	37.8
107.04946	18.0
107.07880	3.6
107.08575	55.1
107.09300	2.7
108.04496	2.0
109.02845	2.9
109.06491	14.8
109.10139	64.5
110.06048	1.6
110.07126	3.0
111.08063	31.2
111.11688	6.5
113.05960	5.2
114.52643	2.1
115.07555	9.9
117.06969	3.8
119.04913	13.7
119.08559	24.2
120.08002	2.2
121.06482	6.8
121.10124	54.3
122.03612	4.6
122.06057	2.0
123.08045	7.6
123.11684	56.7
123.12585	3.1
124.07568	7.9
125.09612	25.5
127.03895	5.8
127.07523	3.4
127.11163	7.3
129.06946	4.9
129.10146	3.0
129.12640	1.7
130.08577	4.3
131.04941	13.1
131.08524	6.5
133.06502	10.5
133.10106	23.3
135.04338	3.2
135.08038	9.1
135.11685	25.8
136.07547	13.8
137.05959	69.7
137.09601	9.2
137.13235	9.8
138.06299	2.4
138.09142	6.5
139.11150	19.7
140.06970	1.7
141.09052	2.1
141.12752	4.6
143.08528	3.0
143.10645	2.5
144.05612	2.0
145.04921	4.3
145.06453	3.0
145.10103	14.8
147.04385	12.1
147.08041	3.4
147.09138	4.1
147.11664	15.2
149.05933	7.7
149.09579	5.9
149.13205	13.7
150.05469	2.3
151.03877	2.9
151.07523	39.0
151.11131	18.8
152.07025	4.2
153.12708	10.5
155.10638	4.7
157.06454	3.6
157.10106	3.1
157.12193	4.7
159.09140	2.5
159.11678	17.4
161.05951	61.2
161.09558	14.1
161.13206	10.8
162.06679	5.2
163.06129	2.3
163.07518	35.2
163.11142	5.0
163.14789	4.8
164.07040	15.3
165.07365	3.3
165.09061	3.1
165.12709	11.5
167.07025	5.6
167.08360	2.3
167.10684	4.6
167.14319	2.3
169.12206	25.9
171.13802	3.6
173.10774	2.3
173.13255	10.5
174.06726	1.7
175.07471	9.1
175.14806	8.4
177.05449	4.6
177.09119	2.7
177.12682	2.1
177.16373	3.8
179.06966	9.4
179.14261	2.7
181.04973	3.2
181.08556	8.6
181.12238	6.0
183.13762	12.7
187.13297	2.8
187.14844	2.5
189.09059	38.6
189.16406	5.4
191.06963	2.1
191.14308	2.9
191.17924	3.6
193.08572	1.7
193.15895	3.5
195.07970	5.2
199.14856	3.1
201.14775	4.4
201.16383	8.6
203.06985	4.2
203.17918	2.8
206.04431	2.1
207.10132	66.3
207.17416	2.3
211.16872	2.4
213.16312	4.8
215.06973	2.4
215.17918	2.3
217.19511	2.3
219.10092	4.6
219.17345	10.2
221.09633	2.8
223.07582	2.0
225.09145	2.4
225.18440	2.1
227.10579	6.7
233.18999	3.6
237.18443	51.0
239.10619	1.9
243.21098	2.0
249.09001	4.0
249.11368	2.8
250.11472	3.4
251.20029	8.4
253.08638	3.9
253.12221	5.6
255.10159	7.8
255.19521	32.6
265.08459	2.5
267.19482	2.4
269.22531	5.6
271.05789	1.9
273.20651	7.7
275.23441	3.2
285.11169	7.9
287.12708	20.6
287.23654	14.0
293.24622	10.5
299.12729	4.2
305.24707	53.6
306.25269	2.0
311.12915	8.3
311.25705	5.1
313.14297	25.7
323.25717	57.5
323.29520	3.0
325.14240	2.1
327.12219	2.1
329.26721	2.5
331.15356	64.9
335.12436	2.7
341.26868	13.7
343.15317	5.2
347.27753	4.6
359.27795	16.3
363.18613	8.0
377.28903	28.8
378.12704	8.3
395.29803	4.9
557.25562	2.4
558.29980	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	557.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47114	2.1
53.03930	2.8
55.05494	10.0
57.03401	4.7
57.07067	51.9
58.07368	2.7
66.68852	2.1
67.05489	23.7
69.07057	12.4
70.83736	5.3
70.94151	1.8
71.08612	48.5
73.02890	10.6
73.64726	2.0
74.03227	1.9
75.05146	1.7
79.05478	12.8
81.03374	6.5
81.07040	30.4
83.04933	3.1
83.08607	13.3
85.06487	2.2
85.10160	25.0
89.06017	13.4
91.05446	9.3
93.07016	11.8
95.04913	2.9
95.08584	35.8
97.08047	2.2
97.10107	8.1
105.06975	5.7
107.04895	3.4
107.08524	6.8
109.02832	4.2
109.10139	16.2
111.11703	2.4
119.08549	5.2
121.10085	3.5
123.11642	7.4
130.08574	5.2
131.08507	5.2
133.08516	7.5
133.10017	3.3
135.11652	3.5
137.13223	3.6
145.10104	3.8
149.13277	2.6
149.44443	2.4
159.11601	4.8
177.11148	4.1
177.12630	2.5
184.68111	2.4
186.56940	2.6
223.13251	2.3
239.23647	32.9
241.14339	5.1
257.24719	3.7
261.22272	3.6
279.15878	16.8
283.26270	2.5
299.27386	2.6
313.27307	85.5
327.19601	3.0
328.19571	2.4
331.28134	3.3
491.22021	2.1
539.36780	4.7
557.34039	100.0
557.52399	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	557.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.3
55.05507	6.8
56.05030	1.9
57.03418	1.9
57.07050	1.7
67.05486	5.4
69.03406	2.9
69.07056	9.0
70.02940	9.8
70.06581	4.2
71.04963	1.6
71.53419	1.6
72.08141	6.0
73.02898	1.6
74.02420	1.5
77.20651	0.8
79.05460	4.8
81.03394	3.8
81.07040	12.5
83.04955	2.2
83.08615	4.8
84.04478	1.3
84.08118	2.8
85.02901	4.3
85.06510	1.6
86.06052	68.9
86.09672	1.3
88.03980	32.4
91.05455	2.7
93.07027	8.8
95.04936	2.6
95.08588	7.7
96.08086	2.1
97.02859	2.4
97.06510	3.8
97.10170	1.3
98.09669	13.7
99.04432	2.2
100.07573	1.3
105.03356	1.6
105.07030	5.8
106.03709	1.0
107.08585	6.0
108.08099	2.4
109.02894	1.7
109.06474	1.4
109.10133	4.5
111.08046	1.8
111.11694	0.8
115.07483	0.9
116.10710	73.2
117.06995	1.8
119.08569	4.0
120.08059	1.0
121.10097	4.1
123.08069	0.8
123.11685	2.1
124.03942	1.2
125.05921	1.3
127.03888	3.0
131.08546	1.4
133.10106	2.7
134.04469	3.1
135.08047	1.5
135.11650	1.8
137.05945	1.3
137.09576	1.1
145.10112	1.9
147.11743	1.4
149.09608	1.0
149.13219	6.2
157.10062	1.3
159.11679	1.1
161.13232	1.5
162.07594	1.5
166.15851	2.6
167.14336	2.0
169.10133	1.1
179.07008	1.0
180.07301	1.0
187.11150	1.1
207.54192	1.0
212.16309	5.3
213.60667	0.8
230.17612	1.2
231.15891	1.8
238.18027	2.7
239.16324	2.1
264.15878	6.8
271.10532	0.9
282.17044	4.2
291.26636	1.1
292.22784	2.1
310.16422	1.6
310.23755	8.0
314.49969	0.9
328.24786	2.2
403.16101	0.9
424.45508	0.9
425.26468	7.0
443.27432	100.0
444.27600	1.5
539.33093	2.9
557.26074	1.6
557.34857	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	557.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.0
55.05496	6.2
56.05017	1.3
56.91737	0.4
57.03425	0.9
57.07045	0.7
59.03414	0.6
65.95119	0.5
67.05481	4.4
69.03412	1.7
69.07049	7.4
70.02937	10.4
70.06579	4.3
71.04961	1.4
71.07349	1.3
71.54189	0.4
72.04503	0.5
72.08141	7.0
73.02878	0.6
74.02424	2.4
74.82924	0.4
79.05485	3.3
81.03382	1.5
81.07030	9.3
83.04951	1.3
83.08600	4.7
84.04482	0.7
84.08134	2.0
84.12132	0.5
85.02887	1.2
85.06545	0.9
85.92566	0.5
86.06047	69.5
88.03973	35.5
90.05557	0.6
91.05452	2.2
93.07026	5.1
95.04952	1.5
95.08581	3.6
96.08099	3.0
97.02866	0.8
97.06506	3.7
97.10183	1.3
98.06055	0.9
98.09667	11.6
99.04429	2.0
99.08073	0.6
100.07624	1.0
100.78690	0.5
105.07017	1.9
107.08572	4.5
108.08115	1.8
109.02890	0.6
109.10133	2.1
110.09700	0.7
111.08070	1.8
114.05550	0.6
114.09157	1.7
116.03465	1.2
116.10702	75.6
119.08569	1.9
120.08056	0.5
121.06508	0.7
121.10116	2.8
121.49854	0.5
122.09609	1.2
123.08070	0.8
123.11703	1.1
124.03931	1.2
124.07574	1.3
125.05904	0.5
125.09609	0.9
127.03905	1.3
131.08530	1.2
132.06517	0.6
133.10106	1.7
134.04448	2.5
135.08002	0.6
135.11667	1.1
139.07495	0.5
140.10672	0.8
142.08629	1.6
147.04416	0.6
147.11652	1.5
148.07457	0.7
149.09596	0.5
149.13210	5.1
151.11116	0.6
157.10095	0.9
159.08107	0.5
159.11649	1.6
162.07628	0.5
163.63933	0.5
166.15846	2.6
167.14316	1.6
171.11703	0.5
177.12798	0.5
212.16425	8.3
219.54686	0.5
229.14273	0.8
230.17551	1.9
231.15964	1.9
236.16400	0.7
238.17978	2.4
239.16270	3.0
257.17551	0.7
264.15833	5.8
274.21710	0.6
282.16971	3.6
291.26654	0.6
292.22629	1.8
307.16693	0.5
310.16461	2.7
310.23688	7.9
328.24847	0.8
412.10141	1.2
425.26361	9.1
443.27420	100.0
444.27640	1.4
539.33270	3.6
557.27271	4.0
557.34943	6.2
558.28168	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.529
Annotation	N-(palmitoyl)-phytoceramide
Peak:m/z	Relative Intensity
55.05505	3.8
57.03427	1.1
57.07068	11.6
58.06585	1.1
59.04982	0.8
59.43866	0.4
64.10175	0.5
67.05495	4.9
69.07059	5.8
69.34008	3.3
69.34431	1.5
70.06584	11.4
71.08617	7.1
72.08137	1.3
73.02901	1.4
74.19868	0.5
75.95152	0.5
79.05486	2.4
81.07047	6.2
83.04963	0.7
83.08625	4.3
84.08140	1.7
85.10167	3.6
86.09685	1.9
87.04471	0.9
88.07631	5.8
89.06032	4.0
91.05451	1.1
92.82814	0.5
93.07030	2.8
95.08596	6.9
97.06506	0.7
97.10143	2.0
102.09164	3.5
105.07001	0.8
107.08559	1.7
109.10139	2.5
109.38437	0.5
111.08071	0.6
119.08592	0.9
121.10140	1.7
123.11694	0.9
131.81590	0.5
132.10181	4.7
133.08585	1.7
133.10120	1.0
135.10663	0.5
135.11674	0.6
145.10127	0.7
146.11752	4.8
147.11630	0.9
149.13251	1.9
149.18555	0.5
167.14223	0.6
177.11258	1.0
185.15324	0.5
198.55057	0.6
212.23685	1.0
228.23253	1.0
238.25443	0.6
241.17856	0.6
256.26321	10.6
259.19034	8.4
263.23590	0.7
272.25836	2.4
283.26279	44.6
300.28925	24.2
311.29385	4.7
313.27417	0.7
318.30176	1.4
337.27371	3.5
342.79517	0.6
357.82471	0.5
371.22675	2.0
521.42041	4.3
522.42773	0.6
556.52924	100.0
557.53577	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	557.2978
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
51.06847	1.0
53.03931	1.9
55.01841	1.7
55.05498	8.0
57.03422	5.3
57.07064	54.7
58.07380	1.1
59.04967	2.3
67.05495	19.8
69.03401	1.8
69.07053	8.6
69.47281	1.9
69.47679	8.3
71.08232	2.1
71.08618	40.4
72.08947	1.6
73.02907	6.2
75.04461	3.9
79.05476	7.5
79.65377	1.1
81.03395	5.5
81.07040	29.2
83.04955	1.5
83.08607	14.2
85.02891	2.5
85.10162	23.2
87.04456	1.5
89.06017	8.3
91.05466	5.5
93.07037	10.6
95.04932	2.2
95.07973	1.8
95.08587	32.7
97.10145	6.2
98.20815	2.9
99.04449	1.2
99.08048	1.3
99.11721	1.7
105.07028	5.6
107.04923	3.9
107.08596	4.4
109.02879	1.5
109.10132	13.8
110.03624	1.1
111.04387	1.3
111.45972	1.1
115.87457	1.3
117.06998	3.3
119.08507	2.3
121.06462	2.4
121.10104	3.1
123.08043	1.5
123.11683	5.9
125.13239	2.3
127.03841	1.8
128.66013	1.3
129.50839	1.3
130.08632	1.3
131.08574	1.8
133.08592	4.1
133.10069	1.4
135.11646	4.0
137.13237	4.4
145.06519	1.3
145.10098	3.5
147.11653	2.0
149.13203	1.4
159.11678	3.7
175.97237	1.2
177.11165	1.7
187.11145	2.6
191.00151	2.1
221.22580	1.5
239.23633	37.2
241.14270	3.6
257.24738	4.2
261.22064	2.8
279.15802	14.5
283.26288	1.4
298.27356	2.2
313.27298	100.0
314.27814	1.4
331.28348	4.5
356.11307	1.5
461.47745	1.2
539.28619	2.6
539.36896	2.3
556.52740	1.7
557.33466	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	556.441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	1.6
56.50412	0.8
57.07066	100.0
59.04989	13.7
69.07054	1.6
71.08619	69.8
72.08917	1.0
74.63029	0.8
83.08602	1.8
85.10167	62.4
87.04459	6.5
87.08098	0.9
88.60808	0.9
89.06015	83.5
93.36476	1.0
97.10160	1.1
98.20860	3.3
99.11720	10.8
103.07575	5.4
107.07057	2.4
108.36864	0.8
113.13255	3.2
117.09096	1.2
130.08636	2.4
131.07016	4.6
133.08580	74.6
155.17906	9.5
159.76279	0.8
175.09631	3.7
177.11188	28.7
177.12669	1.6
213.22141	11.1
219.12277	0.9
221.13811	10.4
239.14841	2.7
257.24719	6.5
265.16589	1.1
267.14896	0.8
273.27353	0.8
283.17560	3.9
287.26218	0.9
300.99774	1.0
309.19046	3.4
327.20081	38.4
367.23141	8.3
385.24307	1.9
476.90268	0.8
539.41467	11.3
556.44250	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	556.4566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.3
55.05502	15.4
57.03439	5.4
57.07070	15.2
57.80000	0.6
58.06580	2.0
59.04992	0.6
67.05499	21.5
69.07060	19.6
70.06584	10.4
71.02584	1.3
71.04980	1.4
71.08622	8.8
72.08149	0.9
73.02893	1.0
79.05149	0.6
79.05491	6.9
81.07046	24.5
83.04943	1.7
83.08146	1.3
83.08609	17.8
84.08134	1.4
84.46054	0.6
85.06522	1.4
85.10190	3.2
85.75802	0.6
86.09705	1.5
87.04439	0.9
88.07623	5.9
89.06026	4.0
91.05487	3.7
93.07021	10.7
95.04953	1.2
95.08594	20.8
95.92185	0.7
96.08859	0.6
97.06508	5.2
97.10152	6.0
99.08012	0.7
102.09174	2.6
105.07004	2.8
107.08576	8.0
109.10136	10.3
111.08049	3.5
112.06236	0.6
119.08574	2.9
121.10124	7.0
123.11720	3.3
124.86841	0.6
125.09638	1.5
125.13271	0.9
131.08583	0.7
132.10168	5.3
133.08592	3.6
133.10101	3.3
135.11685	2.0
137.13240	1.2
146.11725	6.6
147.11650	2.1
149.13239	8.9
161.13228	1.8
167.14294	4.1
175.14876	1.0
177.11205	1.0
185.15367	1.2
212.23880	1.4
238.25304	1.0
241.17885	3.7
245.22589	3.5
256.26291	9.2
259.19016	48.5
263.23730	5.3
272.25867	3.1
283.26276	42.8
287.58945	0.7
300.28934	25.1
311.29413	4.0
318.30087	1.3
337.27322	23.8
371.22794	1.9
396.74976	0.9
447.38303	2.1
494.49307	1.0
521.41968	25.6
522.41937	0.9
556.52905	100.0
557.53070	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.4408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.1
57.03431	1.1
57.07064	100.0
59.04989	31.4
69.07056	2.3
69.53783	1.6
69.54193	4.8
71.08617	97.9
72.08957	0.9
83.08588	3.3
85.10167	95.5
87.04430	3.5
87.08101	1.0
89.06013	56.8
97.10164	1.7
98.21485	1.5
99.11714	13.5
101.09658	3.8
103.07567	1.3
107.07056	1.0
117.09097	5.5
130.08620	1.4
131.07008	2.4
133.08575	40.4
141.16347	13.1
147.10094	1.6
175.09552	2.3
177.11188	26.4
195.12254	1.5
199.20532	31.3
219.12123	0.8
221.13695	2.8
235.15199	1.5
237.16870	1.0
239.14876	1.0
240.23177	1.4
257.24716	17.1
265.16318	1.3
283.17459	23.1
323.20334	3.6
327.19870	1.0
341.21655	9.4
371.22482	2.2
381.24515	2.4
468.57800	0.9
539.41296	5.0
556.44080	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	556.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00292	1.3
55.05490	4.8
57.03435	1.6
57.07065	100.0
59.04991	19.5
67.05487	3.5
69.07058	5.7
69.73477	2.5
69.73888	3.8
71.08618	93.7
72.08129	2.2
73.06536	2.4
74.09660	1.3
81.07030	5.0
83.08601	5.7
84.08083	1.6
85.10167	78.3
87.04454	16.1
89.06015	47.9
89.34221	1.0
91.05495	1.5
92.53043	1.1
95.08582	4.9
97.10134	3.5
99.11707	7.9
103.03922	70.0
103.07561	8.9
105.07024	1.6
107.07049	3.4
107.08589	1.7
109.10146	3.3
111.11687	3.2
113.13287	1.5
117.09103	2.3
119.07008	1.8
121.08556	2.6
130.08627	5.0
131.07016	5.9
131.10632	1.3
133.08578	41.2
135.74638	1.2
141.16353	7.8
147.06496	11.8
163.09607	2.6
175.09608	3.5
177.11208	16.1
191.09093	9.4
199.20528	11.9
207.12216	6.0
219.12204	2.0
221.13840	4.0
235.11671	13.5
239.14694	2.6
239.23695	2.5
243.23201	5.3
257.24673	2.2
279.14417	2.8
283.17282	2.5
283.26251	1.7
295.17560	2.2
300.28915	1.9
301.23724	1.7
301.27255	1.8
311.25830	1.9
313.18579	4.0
313.27319	13.0
319.77414	1.1
323.16956	4.8
327.20071	2.7
341.18024	21.7
341.21780	0.7
371.22745	5.8
381.21182	2.6
539.40936	4.8
556.26050	1.3
556.39984	7.5
556.52856	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	556.42
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67784	1.2
55.01868	1.3
55.05496	6.0
57.03415	4.4
57.07064	22.7
58.06592	1.6
67.05487	9.2
68.58683	1.0
69.07043	4.9
69.48428	8.5
70.06583	11.8
71.04977	1.1
71.08613	14.7
73.02899	1.5
79.05486	6.4
81.03390	1.1
81.07041	10.5
83.08588	6.7
84.08131	2.2
85.10168	9.0
86.09682	2.2
87.04422	1.2
88.07609	6.0
89.06019	7.9
91.05500	2.3
93.07032	13.7
95.04965	2.5
95.08594	19.3
97.06528	1.9
97.10155	3.4
97.46358	1.1
102.09142	4.1
105.07020	2.1
105.74490	0.9
107.04943	3.4
107.08578	10.8
109.10142	4.5
111.11710	1.0
117.07016	2.2
119.08582	3.4
121.06494	2.1
121.10149	5.1
124.74444	0.9
125.05981	1.1
130.07811	1.0
132.10194	3.8
133.08575	3.8
133.10094	1.4
135.07996	1.2
135.11668	16.0
145.10106	10.6
146.11723	6.0
163.11145	22.1
177.11208	1.2
179.15448	0.9
181.12263	3.5
227.12727	28.6
227.14925	1.9
228.23221	2.5
256.26266	9.6
272.25769	2.6
283.15359	30.1
283.26239	36.5
290.40707	1.2
300.28903	22.2
311.29501	4.0
313.27286	44.6
318.30020	2.3
319.48056	1.1
371.22675	3.9
521.38300	40.3
556.52887	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67925	0.6
51.30497	0.6
53.03934	1.2
55.01859	4.0
55.05498	1.4
57.03430	0.6
61.96837	0.6
65.03924	2.3
67.05489	2.7
69.03405	1.5
69.07058	1.5
69.72478	4.7
70.06588	3.2
70.06914	0.6
71.05006	0.8
72.08140	1.6
77.03909	0.7
79.05483	4.8
81.03398	1.8
81.07047	4.5
83.04929	0.9
84.04475	0.7
84.08133	2.8
84.12961	0.7
85.02888	2.8
85.06548	0.9
86.09693	1.9
88.04002	0.8
91.05469	37.7
92.05781	0.9
93.07030	4.6
94.04189	1.6
94.07361	1.0
95.04952	5.3
95.08588	1.9
97.02894	0.8
99.08070	0.9
103.05453	11.3
104.22122	0.6
105.03376	8.0
105.07015	13.9
106.07323	1.0
107.04947	4.6
107.08575	2.1
108.05711	1.0
108.08876	0.9
109.02847	0.6
109.05800	0.9
109.06502	11.7
109.10140	1.3
110.07139	1.9
111.04466	1.0
111.84151	0.7
115.05440	1.9
116.06183	0.7
116.07111	0.7
117.06985	1.7
118.04123	1.2
119.04926	56.6
119.08542	2.0
120.05244	1.1
120.08058	0.9
120.08884	0.8
121.06487	6.5
121.10147	2.6
122.03635	4.1
122.05995	1.0
123.04434	1.2
123.08031	4.3
123.11670	1.3
127.03896	1.1
127.77428	0.7
128.06184	1.4
129.06958	3.3
129.10251	1.1
130.04146	1.4
130.08649	0.8
131.04907	15.6
131.08594	1.3
132.05681	0.8
133.02849	1.3
133.06464	11.5
135.04382	1.4
135.08014	2.5
136.05174	0.9
136.07549	2.4
137.05959	100.0
138.06308	1.2
139.03880	0.8
143.04929	1.2
144.05643	1.6
145.06467	3.3
146.03615	0.8
147.04385	21.8
147.08044	3.4
149.05949	9.1
151.03993	1.0
151.07523	34.7
152.07025	4.1
153.07469	0.8
157.06494	0.8
159.08060	3.6
160.05176	1.6
161.05959	31.6
162.06741	10.3
163.07513	6.2
164.07056	2.5
165.05464	1.9
165.07422	0.8
166.05060	1.1
167.06996	1.9
172.05171	1.1
173.05951	1.4
175.07520	24.5
177.05482	0.9
177.09143	1.6
179.07010	30.1
180.07481	0.7
181.04977	1.5
187.07515	14.5
187.39096	0.7
189.09077	1.3
190.06192	1.7
191.08522	1.6
193.08578	9.6
197.08072	2.7
198.07620	5.0
203.08617	1.2
205.06581	1.1
205.08571	20.9
217.08658	1.7
219.08002	4.1
219.09891	0.8
231.08034	2.0
235.09612	10.3
247.07639	2.1
249.11299	4.2
251.10533	3.8
259.07581	1.5
279.10086	4.6
281.11612	1.2
291.10175	3.6
296.10443	1.8
297.11371	0.9
304.23337	0.7
309.11145	13.7
310.11786	0.8
311.12726	8.5
322.24600	0.8
323.12683	2.9
327.12463	1.4
329.13861	5.3
341.13794	10.1
349.66809	0.6
359.14856	3.2
362.17993	1.6
470.63861	0.8
557.17358	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2053
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30011	0.5
53.03937	1.3
55.01867	1.9
55.05506	1.9
57.03439	0.8
60.04530	0.8
61.02907	0.6
61.37134	0.5
65.03950	0.5
67.05507	2.4
69.03421	5.6
69.07054	3.9
70.04071	0.7
70.06584	2.9
70.47330	0.4
71.04991	2.9
71.48888	0.4
71.55345	0.6
71.55704	0.6
72.08141	1.2
73.02916	1.6
79.05470	2.6
81.03398	4.9
81.07043	9.6
82.07361	0.5
82.98435	0.4
83.08604	1.4
84.04504	1.1
84.08115	1.3
85.02891	16.0
85.06528	1.0
86.06086	1.8
86.09699	2.0
87.00817	5.2
87.06364	0.4
88.02198	0.5
91.05461	5.7
93.07027	6.7
95.04967	1.4
95.08593	14.3
96.05286	0.5
96.08895	0.6
97.02873	7.0
97.06493	1.2
99.04433	2.5
99.08072	5.3
99.63243	0.4
103.05494	0.8
105.01846	11.9
105.07011	8.9
106.07335	0.5
107.04950	1.0
107.08578	10.0
108.04456	1.7
109.02873	6.5
109.06505	1.4
109.10147	4.2
111.04396	0.6
113.09635	1.7
117.06971	0.8
118.07758	0.6
119.08560	53.8
120.08059	0.8
120.08891	0.8
121.06445	0.8
121.10139	2.2
123.08029	0.8
123.11677	5.0
124.03933	0.6
125.05979	0.7
126.05512	1.3
127.03895	13.1
129.06999	0.6
130.08638	0.6
131.04906	0.6
131.08577	1.1
133.10109	98.4
134.10466	1.3
135.08020	0.6
135.11670	17.9
136.07523	0.7
137.05946	2.2
137.09613	1.1
137.13196	0.6
143.08536	1.1
145.04956	3.2
145.10103	1.9
147.04369	1.0
147.11673	3.2
149.09641	0.6
152.07004	0.8
159.02881	1.8
159.11601	0.8
160.12405	0.9
162.07582	2.1
165.05399	0.6
167.06987	0.8
171.11720	0.7
173.09576	0.6
175.14793	100.0
176.15109	1.2
177.05455	1.0
183.11629	0.6
187.14812	0.5
188.03654	1.1
189.08983	0.7
193.14474	0.7
193.15848	36.5
211.16896	45.2
226.14458	0.9
230.06458	1.0
231.05002	3.3
248.07652	1.6
249.06018	2.5
257.05524	0.5
266.08676	11.3
293.12781	0.6
318.48264	0.6
321.12265	0.5
334.99689	0.5
441.21320	0.9
459.21777	2.4
476.25082	2.3
524.19531	0.8
538.21698	1.3
556.22253	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	555.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41069	1.3
51.02366	1.6
51.75041	1.3
53.03932	2.9
55.01844	4.3
55.05500	17.0
57.03411	6.0
57.07051	5.6
59.04982	4.2
59.56145	1.3
61.02915	2.1
65.03940	2.4
67.05164	2.6
67.05490	35.6
69.03412	17.2
69.07053	24.7
69.38477	5.7
69.38895	6.9
70.06580	13.5
71.04977	17.8
72.08124	1.7
73.02885	1.6
73.06544	2.6
79.05475	25.0
81.03403	7.8
81.07040	90.3
83.04967	15.7
83.08592	7.3
84.04486	1.9
84.08114	4.3
85.02890	17.8
85.06527	27.3
86.09682	6.2
87.00793	4.8
87.04445	2.2
88.02192	2.1
91.05464	22.1
93.07025	69.8
95.04949	27.0
95.08590	58.5
97.02872	10.0
97.06512	16.3
97.10137	6.9
97.10742	1.5
99.04419	9.0
99.08056	6.6
101.06007	6.5
105.01807	3.7
105.07009	41.5
107.04979	1.7
107.08572	60.6
109.02863	6.1
109.06495	15.4
109.10133	48.2
109.10699	0.9
110.07096	2.3
111.08069	19.0
111.11685	3.9
115.07540	2.5
117.06982	5.6
118.23193	1.3
119.04931	1.6
119.08558	32.3
120.08092	2.6
121.06483	6.3
121.10121	100.0
122.05984	5.4
122.10474	2.0
123.08048	12.2
123.11678	37.3
124.07528	2.1
124.39776	1.6
125.09610	26.8
127.03889	10.4
127.07590	2.2
127.11206	3.2
129.06995	2.3
131.04945	1.7
131.08522	13.5
133.10110	32.8
135.08006	5.5
135.11662	32.7
136.07545	12.7
137.05968	8.0
137.09572	11.6
137.13193	4.5
138.05447	8.3
138.09053	2.3
139.05794	4.2
139.11148	16.9
143.08537	5.5
145.04903	3.2
145.10063	15.0
147.04446	1.9
147.08011	2.2
147.11661	20.3
149.09602	6.8
149.13237	13.2
150.05411	2.0
151.07474	2.6
151.11140	16.9
152.07031	2.8
153.01762	1.9
153.09126	2.2
153.12706	8.1
155.08116	2.0
155.10661	4.5
157.10109	6.6
159.08081	2.0
159.11667	12.6
161.13205	9.1
162.09079	2.9
163.11177	8.6
163.14796	4.5
164.02821	1.4
164.06982	5.8
165.12717	6.3
167.06996	4.7
167.10681	8.8
167.14241	1.9
169.10040	2.5
169.12202	37.1
171.11653	4.4
173.09726	1.5
173.13240	12.4
175.11160	3.6
175.14789	8.2
177.05435	2.5
177.12698	3.9
179.06993	4.1
179.10689	2.1
181.12227	11.6
181.13620	1.4
183.11562	1.7
183.13812	3.0
185.13211	3.5
187.14766	5.6
189.12634	2.3
189.16328	5.4
191.14261	14.0
192.14561	1.8
193.15866	1.8
195.13776	2.5
197.13153	2.6
199.13161	1.7
199.14775	2.0
201.16379	2.9
203.17947	4.6
205.15791	2.5
206.04486	1.8
208.09750	2.3
209.07996	2.4
209.15306	17.0
211.14778	4.1
213.16328	4.8
215.10472	3.0
217.19528	3.4
222.39496	1.5
223.16867	2.2
225.07498	2.9
225.16301	1.5
227.16422	6.9
229.15738	2.3
231.17447	4.5
235.20686	3.2
249.18428	4.8
252.13184	1.7
253.15666	2.0
253.18002	1.6
253.21666	7.1
259.20578	1.7
263.20087	2.5
267.19034	2.3
267.21204	5.0
271.16803	4.0
271.22623	20.3
275.23608	3.0
281.20947	1.7
285.22177	10.8
287.13943	2.5
289.11887	1.9
289.17917	4.0
289.23587	7.6
291.23077	4.5
303.23090	30.0
307.19330	1.8
307.24741	4.6
309.24161	4.8
317.11273	12.5
321.24149	34.3
329.11157	2.3
339.25290	16.7
357.26349	4.8
361.17685	9.0
375.27319	2.4
393.28461	10.6
477.14786	1.8
524.20245	12.7
555.12994	4.3
555.22504	1.7
572.49500	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.4619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.2
57.03419	4.2
57.07066	93.7
59.04991	68.1
69.07056	3.7
70.09272	3.8
71.08620	100.0
81.07040	1.5
83.08617	5.2
85.10168	88.4
87.04467	6.3
89.06014	13.6
97.10124	1.7
99.11721	13.9
101.06003	1.4
101.09650	6.8
103.07574	2.6
106.52485	1.1
113.42822	1.1
115.07536	1.9
117.09119	21.8
117.09911	1.9
129.17540	1.1
131.07016	1.1
141.16350	11.3
147.10152	7.9
158.11819	1.6
161.11732	1.1
171.21497	1.1
175.09589	1.2
175.13292	2.2
199.20541	31.1
205.14377	4.3
223.15480	3.3
240.23193	3.0
257.24704	43.9
263.18439	2.2
281.19635	1.6
315.28888	3.1
456.83606	1.3
534.07837	1.3
537.43298	3.0
554.45709	2.5
555.21667	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	555.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.3
54.46466	0.4
55.05490	1.4
55.72579	0.4
56.68953	0.4
57.03424	0.9
57.07067	0.4
62.50734	0.4
65.03910	0.4
67.05497	2.8
69.03411	1.4
69.07043	1.3
69.46497	3.0
70.06578	1.6
71.01340	0.4
71.04965	0.6
72.08134	0.8
73.02886	0.8
73.21056	0.4
74.16103	0.3
77.03932	0.4
79.05477	1.8
79.43650	0.3
81.03402	0.9
81.07042	6.1
82.24968	0.3
83.04941	0.9
83.88191	0.3
84.04456	0.4
85.02891	3.1
85.06516	1.6
86.09666	0.6
87.00790	0.4
90.38421	0.3
91.05464	2.9
93.07032	4.9
94.06556	1.0
95.01304	0.7
95.04953	2.9
95.08585	3.1
96.08130	0.6
97.02843	1.1
97.06483	1.2
97.10104	0.4
99.04462	0.7
99.08060	0.7
101.05977	0.4
105.06994	2.4
106.06532	0.4
107.08575	2.8
108.08084	1.0
109.02811	0.6
109.06509	0.9
109.10132	2.2
110.07133	0.6
111.08038	1.1
113.02361	0.6
114.08965	0.3
117.05452	0.7
117.06983	0.5
119.04922	0.4
119.08578	2.1
121.10118	5.3
122.06019	5.4
123.08043	0.6
123.11676	1.7
124.07565	9.4
125.09635	0.6
126.05449	0.6
127.03836	0.6
129.05440	1.8
131.08499	0.5
133.06496	0.3
133.10150	1.7
135.08014	0.8
135.11655	1.6
136.07550	100.0
137.05946	1.3
137.07883	0.4
137.09587	0.7
138.05453	0.4
138.09074	0.6
139.11131	0.9
140.07051	0.9
141.01781	1.1
145.10117	1.0
147.11621	1.1
149.09601	0.5
149.13235	1.1
150.05478	1.3
151.11081	0.5
152.07034	22.1
153.09123	0.4
155.10635	0.4
159.11609	0.8
161.13243	0.7
164.07034	96.6
165.12669	0.7
166.06233	0.5
166.08669	1.0
167.10663	0.5
169.12166	0.7
170.08086	1.8
173.13234	0.8
175.14755	0.7
177.12769	0.4
181.08611	0.5
182.08116	3.5
187.14807	0.4
191.14305	1.6
206.48141	0.4
209.15372	1.7
217.19615	0.7
226.10699	3.1
227.16376	0.7
235.16978	0.3
238.10693	10.6
253.21553	0.8
256.11652	0.3
271.22629	2.1
277.00250	0.3
287.13852	11.7
289.17905	0.5
289.23679	0.8
303.23016	1.1
305.14856	1.8
315.13626	0.4
321.24081	1.3
339.25137	0.6
340.10294	0.4
361.17508	74.2
379.18585	3.8
403.18530	0.6
414.13861	0.6
519.19519	1.4
537.20905	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	554.4412
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	4.5
55.05262	3.6
55.05500	32.6
57.03431	17.4
57.07061	24.8
59.04995	15.8
66.14268	2.1
67.05496	57.1
69.07056	39.0
69.51067	15.0
71.04964	2.5
71.08619	20.1
79.05485	36.7
81.07047	56.9
83.04964	2.9
83.08610	39.0
83.33826	2.6
84.08105	2.8
85.06520	4.1
85.10152	20.0
87.04446	8.1
89.05995	7.7
91.05433	13.7
93.07030	51.4
95.04958	3.4
95.08590	37.8
97.06509	12.0
97.10149	8.7
99.11720	3.6
105.07011	10.9
107.08573	27.3
109.10134	19.2
111.08070	8.6
117.09086	5.4
119.08546	10.7
121.10120	22.2
123.11665	7.1
130.08629	2.9
131.08540	10.3
133.08557	7.8
133.10127	8.8
135.11658	11.4
138.76514	2.5
145.10098	9.5
147.11652	5.2
149.13226	25.2
152.92531	2.6
159.11618	5.0
161.13193	5.6
163.14844	4.5
167.10706	2.3
167.14354	12.1
173.13246	5.2
185.15367	3.4
185.35474	2.3
187.14816	2.5
213.22131	4.3
241.18025	11.9
243.21011	4.5
257.17395	3.8
259.19006	100.0
261.22177	21.6
271.26379	3.5
283.15341	3.8
299.06281	2.8
311.25958	3.0
317.24631	3.3
335.25729	61.9
337.27072	3.0
353.26663	4.1
371.09735	2.5
445.36722	7.5
519.40533	53.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.4616
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46045	0.6
53.00292	0.7
55.05500	1.9
57.03431	2.2
57.07066	100.0
59.04991	44.2
69.07072	1.8
71.08619	78.4
72.08960	0.6
81.07038	0.7
83.08607	2.9
85.10169	68.1
87.04469	2.6
89.06016	13.7
91.05777	0.8
95.08604	1.3
96.72630	0.6
97.10161	3.1
98.21504	1.6
99.11718	15.2
99.12321	1.1
100.07607	0.9
101.09622	5.6
103.07574	3.4
104.86987	0.6
107.08624	0.7
111.11718	1.3
112.54552	0.5
113.13251	6.3
113.13837	0.5
117.09110	15.1
117.09885	1.0
130.08607	1.6
130.79652	0.6
131.07048	0.8
133.08586	11.0
133.09485	0.9
140.01183	0.6
142.66531	0.7
151.09641	3.7
155.17921	13.3
156.43930	0.7
158.11844	1.5
161.11778	1.5
161.81381	0.7
167.05754	0.6
175.13344	0.8
181.83517	0.6
189.11246	0.9
191.12758	5.5
209.13832	5.1
213.22105	25.5
223.06305	0.6
225.04372	0.9
249.16959	3.2
254.24783	2.9
267.17990	4.0
271.26273	30.6
307.21216	1.1
325.22321	1.2
329.30515	1.8
537.43756	3.0
554.46326	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	2.8
57.07064	100.0
59.04703	2.1
59.04990	38.6
63.61574	1.5
69.07050	2.5
69.36165	11.6
71.08222	3.6
71.08618	71.4
73.02900	1.8
77.06050	1.6
81.07024	1.6
83.08598	3.6
84.08116	12.4
85.10165	68.4
87.04451	7.7
89.06019	6.9
90.81187	1.5
97.10160	4.4
99.11705	13.9
101.05978	2.1
101.09642	5.2
103.03920	26.1
103.07505	1.6
113.13271	5.4
116.35870	1.5
117.09119	12.2
130.08609	23.6
133.08556	2.6
155.17929	9.5
163.09633	5.0
191.09097	8.9
209.10194	4.4
213.22086	21.8
249.13281	3.9
267.14438	4.5
271.26248	27.1
307.68848	1.6
325.18259	1.8
356.01434	1.6
554.42365	4.3
554.51031	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	554.4409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.3
55.05265	1.6
55.05503	17.5
57.03429	11.5
57.07069	13.5
59.04993	5.2
65.03934	1.0
67.05495	60.0
69.07060	27.1
71.04991	5.7
71.08620	7.2
71.48556	1.3
79.05479	13.6
81.07045	88.4
82.91004	0.9
83.04951	2.2
83.08610	10.2
85.06536	14.3
85.10169	6.0
87.04427	1.2
91.05442	8.6
93.07031	11.2
95.08596	78.9
95.48495	1.2
97.06512	4.0
97.10152	4.4
99.08057	3.1
99.11698	1.1
105.07030	8.7
107.08587	5.3
109.10139	9.7
111.08035	1.0
117.09082	1.8
119.08577	8.3
121.10112	7.3
123.08055	1.3
123.11694	7.6
133.10110	4.3
135.11710	3.3
137.13229	4.7
147.11687	12.7
149.13261	1.3
161.13219	2.5
165.12727	9.9
173.91049	1.0
175.14807	1.7
183.13791	2.9
193.42006	1.1
201.14853	3.4
213.22119	1.5
245.22673	2.3
257.17444	100.0
258.17706	2.2
263.23602	3.6
271.26263	2.1
296.12375	1.2
337.27319	78.5
338.27591	2.3
519.40350	62.7
520.40674	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	2.0
57.03429	1.7
57.07064	100.0
59.04705	1.7
59.04992	33.3
69.07046	3.7
69.35167	7.4
71.08618	90.5
73.02502	2.6
73.02903	43.0
80.24408	0.9
81.07032	1.2
83.08615	2.7
84.08136	2.0
85.10167	70.6
87.04425	5.6
87.08087	1.1
89.06010	11.8
97.10139	2.4
99.11713	14.3
101.09624	5.5
103.07561	3.9
107.08453	1.4
111.11680	1.1
113.13242	5.5
117.05445	1.4
117.09093	8.5
119.08513	1.2
130.08591	5.7
133.08528	5.8
141.16353	1.5
151.09480	1.2
155.17944	12.1
155.19090	1.9
161.07997	1.9
177.11188	1.5
185.18987	2.5
199.20598	1.4
205.10675	4.8
213.22095	21.9
228.48093	1.2
239.14847	9.9
243.23241	5.9
249.13194	3.8
254.24709	1.7
257.24667	3.0
267.14374	2.9
271.26266	10.6
297.18979	4.8
325.18466	3.3
510.76840	1.5
554.42548	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	552.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.1
55.05490	0.5
56.05018	0.6
58.06609	0.6
60.08151	6.4
66.69488	0.1
67.05479	0.5
69.03402	0.3
69.07046	0.5
70.06557	0.2
70.71156	0.4
71.07361	3.2
71.08602	0.2
79.05471	0.3
81.03418	0.2
81.07034	0.6
83.04978	0.3
83.08588	0.5
85.02888	0.6
86.09687	30.6
87.09995	0.1
89.06006	0.4
91.05464	0.5
93.07005	0.3
95.04945	0.2
95.08590	0.5
97.02853	0.2
97.06490	0.2
97.10120	0.3
98.98445	2.9
104.10719	8.3
105.07025	0.4
107.08582	0.3
109.02809	0.2
109.10129	0.2
119.08624	0.3
121.10078	0.2
124.99976	20.6
127.03910	0.3
131.04909	0.1
131.08600	0.2
133.08482	0.2
133.10077	0.2
143.01042	0.5
145.04933	0.1
145.10132	0.2
157.10165	0.1
166.02628	0.2
177.11137	0.2
184.07298	100.0
185.07700	0.5
201.02046	0.1
257.16122	0.1
258.11008	0.4
307.04486	0.1
471.57553	0.1
534.31866	1.7
547.76215	0.1
552.32904	10.3
553.32953	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.8
55.05505	13.8
57.03424	12.4
57.07071	6.3
59.04968	1.0
65.03925	1.7
67.05495	64.0
69.07057	23.3
71.02201	0.7
71.02563	1.6
71.04985	7.9
71.08617	2.7
79.05484	25.2
81.07043	91.8
82.57035	0.8
83.04976	1.3
83.08604	7.9
85.06019	1.1
85.06526	14.6
85.10144	1.9
87.04469	0.9
91.05463	13.2
91.34848	0.8
93.07030	24.4
95.04956	3.3
95.08592	81.8
97.06523	4.7
97.10153	1.9
98.84618	0.8
99.08076	2.8
105.07014	12.7
107.08564	14.4
109.06488	1.1
109.10143	11.4
111.08075	1.6
117.06991	1.6
119.08548	9.0
121.10131	13.4
123.08085	1.8
123.11688	8.3
125.09573	1.0
127.07579	0.9
131.08540	3.9
133.10088	4.7
135.11674	7.7
137.13242	4.2
145.10086	3.6
147.11665	15.6
149.13217	3.9
159.11633	4.1
161.13260	2.5
163.14848	1.5
165.12726	9.3
173.13266	2.9
175.14815	1.3
175.29033	0.8
177.16290	0.7
183.13803	4.6
186.53072	0.8
187.14677	1.1
192.87466	0.8
201.14838	4.2
243.21075	3.4
255.15894	2.0
257.17435	100.0
261.22156	10.7
283.26306	1.2
317.24756	2.6
333.24393	1.0
335.25748	76.7
355.58783	0.9
384.61026	0.9
445.27795	0.9
517.38831	45.0
518.39142	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.7
56.05015	0.5
58.06608	0.6
59.07383	0.2
60.08154	6.5
67.05482	0.3
67.79869	0.1
69.03405	0.4
69.07043	0.4
70.06594	0.2
70.23177	0.5
71.06980	0.2
71.07362	2.5
71.08595	0.1
73.83094	0.1
74.88663	0.1
79.05497	0.3
81.03414	0.2
81.07043	0.7
83.04983	0.1
83.08598	0.7
85.02897	0.7
86.09688	30.2
87.04430	0.1
87.10031	0.2
89.05999	0.3
91.05439	0.2
93.06998	0.3
95.08590	0.3
95.95604	0.1
97.02882	0.3
97.10157	0.3
98.98440	2.5
98.99046	0.2
104.10724	8.4
105.01881	0.2
105.07014	0.3
107.08572	0.2
109.02904	0.2
109.10150	0.2
119.08624	0.2
124.99979	20.1
127.03899	0.3
130.92589	0.1
133.08603	0.3
133.10120	0.3
143.01038	0.4
145.10144	0.2
161.09631	0.1
166.02631	0.1
184.07301	100.0
185.07614	0.8
189.16385	0.1
258.11032	0.3
318.25159	0.1
394.74524	0.1
534.31781	1.5
552.32916	9.9
553.33319	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77477	1.1
53.03931	2.3
56.05021	1.4
57.03418	4.3
59.07154	1.1
61.02914	1.7
65.03906	1.7
67.05484	1.9
69.03407	3.7
69.29659	11.7
70.06567	8.1
72.08145	2.3
73.02901	11.0
79.05477	8.6
81.03407	2.4
81.07057	2.7
84.04494	2.4
84.08143	3.1
85.02887	4.1
86.09695	4.6
87.04506	1.3
91.05463	5.0
93.07027	4.1
95.04957	10.8
95.08606	3.2
97.02863	2.6
97.06496	1.9
98.20679	2.1
103.05456	2.7
105.07006	8.1
107.04935	18.0
107.08582	5.1
109.02857	1.7
109.06514	4.1
109.10165	1.1
111.08120	1.9
115.05429	3.6
117.07005	4.5
119.04977	1.8
119.08570	2.0
120.01142	1.2
120.08128	2.3
121.06518	4.0
121.10165	1.5
123.04403	11.6
124.05169	3.1
125.05965	3.9
127.03922	2.2
128.06204	2.4
129.06978	3.3
129.10188	2.5
130.08626	1.3
131.04919	3.7
131.08591	6.3
133.06468	2.6
133.10141	3.5
135.08025	1.5
135.11650	4.7
136.07565	1.6
137.05940	12.2
140.04666	2.7
141.06964	2.4
143.04866	1.2
144.05638	2.8
145.06488	8.7
145.10124	2.1
147.04416	3.0
149.05959	2.4
150.05476	4.6
151.07523	1.9
152.04697	2.0
153.05482	3.5
155.06990	5.4
156.05679	3.1
157.06520	1.9
158.07318	1.6
159.08023	9.5
161.05959	4.9
161.09581	4.4
163.07521	2.7
163.11183	2.6
165.05406	3.0
167.07011	57.0
168.07454	2.2
173.05943	10.9
173.09517	1.9
175.07545	2.0
177.05518	2.8
179.07025	1.9
181.04924	4.1
181.08540	2.5
182.09387	3.9
183.06514	15.3
183.08020	1.8
184.05180	1.6
184.07271	4.9
187.07513	9.5
187.10919	1.3
189.09081	3.8
190.06219	3.5
191.06992	2.4
191.08542	1.5
192.07629	1.6
193.08525	2.5
194.09311	1.7
202.06142	2.5
203.06969	3.0
204.07724	2.4
205.06718	2.2
205.08525	10.2
205.10316	1.7
207.10086	1.3
209.07933	1.2
210.08780	6.3
217.08530	22.0
218.07207	2.7
218.09229	3.2
219.07977	8.4
219.10147	11.1
220.08640	1.7
220.10738	3.0
221.09689	1.6
223.09247	1.2
231.08061	5.3
231.10089	1.9
233.09592	5.4
233.11725	3.0
234.06706	1.8
234.08870	1.7
234.12045	4.8
235.07492	3.1
235.09538	2.0
236.08116	2.1
241.08556	2.9
245.09512	2.5
246.06648	2.0
247.07512	8.9
247.09618	2.0
248.08252	5.3
248.10461	3.0
249.09013	4.3
249.11263	6.0
250.06201	1.5
250.11902	2.0
251.07222	1.3
251.10678	3.4
257.12808	1.4
260.08292	1.3
261.09116	7.4
262.06427	1.2
263.07010	3.0
263.10739	5.6
264.07916	5.6
265.08511	2.6
266.11655	1.6
269.08105	1.5
275.06967	2.2
276.07700	2.7
277.08670	5.3
278.09421	3.3
279.10080	12.4
281.07980	3.3
281.11786	1.7
288.07965	1.4
289.08502	1.8
291.06888	2.3
291.10117	6.7
292.07288	2.8
293.07913	3.8
293.11743	3.2
294.08682	1.7
295.09583	2.7
296.10187	1.8
305.08160	1.4
306.08813	1.7
307.09543	15.5
308.10278	3.8
309.11243	3.6
310.11899	2.6
311.12631	5.5
319.09457	3.2
321.11108	3.2
323.09070	3.9
323.12802	3.1
324.09903	1.4
325.10648	1.8
329.10309	1.7
330.10892	2.3
337.10538	2.8
338.11465	4.4
339.12198	7.0
340.12869	2.4
341.10049	1.6
342.13138	2.0
344.12598	3.4
351.12317	4.2
352.12888	1.2
353.13766	2.9
355.11768	1.8
356.12430	2.0
359.14886	3.5
369.13251	26.9
370.13773	4.6
371.14822	31.6
372.15430	1.4
383.14780	3.0
387.14334	4.6
389.15979	12.6
401.15875	100.0
402.16492	25.1
404.17538	1.5
419.16931	28.0
420.17587	15.4
431.16895	4.7
552.18506	2.7
569.05505	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08789	1.3
51.74019	1.4
53.03925	3.6
55.05503	13.7
57.07071	7.7
59.04981	1.7
63.79197	1.2
65.03922	2.3
67.05491	24.7
69.07056	16.2
71.08609	2.1
71.53687	2.7
79.05479	22.0
81.07045	34.8
83.08626	7.7
83.54290	1.5
85.06499	1.8
85.10141	2.0
91.05461	33.8
91.24262	1.4
93.07026	46.4
95.04945	4.5
95.08594	39.0
97.10155	2.2
103.05444	2.2
105.07014	64.3
107.08579	48.5
109.06503	3.0
109.10141	41.0
111.08031	2.1
115.05456	3.1
116.06218	1.4
117.06985	14.4
119.08563	100.0
121.10126	43.6
123.08045	3.6
123.11662	11.7
125.09637	2.0
128.06186	3.5
129.06979	10.1
130.07732	3.9
131.08546	27.4
132.09288	1.7
133.09111	3.0
133.10107	50.6
133.91162	1.3
135.11670	37.3
137.09618	2.8
141.06947	2.2
142.07755	12.0
143.08530	18.5
144.09294	5.7
145.10098	58.5
147.11658	18.9
149.09618	2.4
149.13234	5.3
153.06952	1.6
154.07748	1.9
155.08562	9.6
156.09314	9.3
157.10101	33.5
158.10861	5.9
159.11664	32.2
161.13235	10.2
163.11151	4.2
165.06976	1.7
166.07742	1.7
167.08528	4.9
168.09349	2.8
169.10103	16.7
170.10895	5.5
171.11641	18.0
172.12469	2.6
173.13239	21.8
175.14793	35.8
179.08525	5.9
181.10086	9.3
182.10881	5.4
183.11653	16.0
184.12401	1.7
185.13249	14.4
187.14790	12.2
189.16324	2.7
193.10080	4.7
194.10910	3.6
195.11632	8.6
196.12395	3.1
197.13211	16.4
198.14061	2.0
199.14700	7.4
201.16321	15.0
207.11659	5.3
208.12361	3.5
209.13181	13.2
210.13963	1.8
211.14821	12.1
212.15532	1.7
213.16252	7.2
215.17955	2.3
219.11563	1.9
219.17473	4.6
221.13231	5.6
223.14772	8.6
223.27518	1.5
224.15680	1.6
225.16374	3.7
227.17805	2.4
231.11603	1.9
233.13234	3.5
234.13873	2.3
235.14751	5.5
237.16377	5.5
239.17926	2.6
241.19450	6.4
247.14679	2.7
249.16449	2.7
253.19450	5.7
257.19003	1.9
259.20538	2.5
261.16522	2.8
263.17938	2.8
265.19461	3.3
267.20996	4.3
268.15924	1.7
271.20477	2.5
275.17880	3.7
277.19476	4.0
279.20981	3.1
285.22028	4.1
289.19373	3.2
291.21005	2.1
333.25647	1.9
337.25180	2.9
345.25699	2.6
349.25082	2.3
411.30286	2.2
429.31332	2.1
459.36133	2.5
472.37012	2.4
495.35889	3.3
533.41473	3.7
551.34625	1.7
551.42468	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	551.1024
Annotation	Quercetin 3-(6''-malonylgalactoside)
Peak:m/z	Relative Intensity
53.03941	1.2
55.01854	1.6
55.05489	0.2
56.05020	0.2
57.03425	1.0
59.04966	0.2
61.02917	1.4
65.03922	0.4
67.05479	0.6
68.99770	1.5
69.03416	5.9
69.07038	0.3
69.29300	1.2
69.29724	0.4
70.06570	0.9
71.04986	1.0
72.08128	0.3
73.02896	1.8
73.20733	0.2
77.70889	0.1
79.05465	0.6
81.03401	8.4
81.07025	0.6
82.06569	0.3
83.01329	0.3
83.04955	0.2
84.08128	1.6
85.02886	12.4
85.06509	0.3
86.09679	0.6
87.00297	0.3
87.00811	5.1
87.04443	0.5
89.05995	0.4
90.01884	0.2
91.03930	0.5
91.05451	0.6
93.03374	0.2
93.07016	0.7
95.04967	0.8
95.08580	0.5
97.02876	4.0
97.06495	0.3
98.05959	0.2
99.04436	2.8
103.03907	0.7
103.05452	0.8
105.01846	2.9
105.07014	2.1
106.21378	0.2
107.04919	0.3
107.08554	0.4
109.02856	7.1
109.06483	0.4
109.10119	0.4
110.05981	0.2
110.07171	0.3
111.00767	1.0
111.08130	0.2
115.03885	0.2
115.05424	0.6
116.06968	0.2
117.01804	1.1
117.05460	0.1
117.06979	0.4
119.04917	0.3
119.08531	0.4
120.08057	0.3
120.96909	0.1
121.02840	0.9
121.06490	0.3
121.10108	0.6
122.80177	0.2
123.04395	0.6
123.11650	0.2
124.48863	0.2
124.86708	0.2
125.09486	0.2
127.03890	9.7
129.01807	0.7
129.06960	0.2
130.08611	1.7
131.04932	0.9
131.08762	0.3
133.06459	1.3
133.10074	0.4
134.06009	0.2
135.04369	0.2
135.08128	0.2
135.11635	0.2
137.02303	2.5
137.05962	1.1
139.03879	0.2
145.04939	3.8
145.06215	0.3
145.10100	0.4
147.02869	0.7
147.04404	0.9
147.07932	0.2
147.11641	0.3
147.14169	0.2
149.02335	0.4
153.01799	3.1
153.05365	0.2
155.04825	0.2
157.06508	0.2
158.07217	0.2
159.02870	4.6
159.11617	0.2
161.05957	2.6
163.03876	0.5
163.06012	0.3
163.07501	0.4
165.01822	1.8
166.02638	0.3
167.06956	1.0
167.10641	0.2
170.07211	0.2
171.11671	0.2
173.05963	0.5
173.09581	0.2
175.07439	0.2
177.04021	0.2
177.05417	0.5
178.05093	0.2
179.06964	0.3
181.04926	0.4
181.08559	0.2
183.02867	0.8
183.04379	0.3
183.06415	0.3
187.03854	0.4
191.06898	0.8
193.08568	1.7
195.02875	0.3
201.05418	1.6
203.07007	0.2
205.04887	0.2
205.08623	0.2
206.04491	0.5
207.04742	0.3
207.06540	0.2
213.03764	0.2
217.08438	0.2
219.06529	0.3
219.10091	0.3
227.11777	0.2
229.04910	3.7
231.04965	1.3
231.10065	0.3
233.11665	1.4
247.05855	0.8
255.11224	0.6
257.04443	2.4
274.04590	0.6
283.10715	0.3
285.03873	1.2
303.04916	100.0
304.05099	1.0
345.05930	0.3
371.14804	0.2
372.18616	0.2
375.15372	0.4
401.15955	1.2
403.17395	0.3
411.07526	0.2
462.34506	0.2
551.18701	0.3
551.29724	0.2
571.00012	0.2
575.80695	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.4306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	15.3
56.65107	2.0
57.03421	9.0
57.07068	40.4
58.12975	2.3
58.73321	2.1
59.05006	11.9
67.05490	20.3
67.84487	2.3
69.07060	24.1
69.95074	5.0
69.95477	10.5
71.08238	2.8
71.08620	37.2
71.96279	2.7
75.04470	3.9
79.05486	6.7
79.31248	2.1
81.07037	31.9
83.08607	23.5
84.08134	2.9
85.06503	2.6
85.10173	22.3
86.09694	4.8
87.04446	8.3
89.06013	21.3
91.75063	2.3
93.07035	12.0
95.08600	25.0
97.06509	5.6
97.10168	15.6
107.08564	10.2
109.10138	18.4
109.76044	2.6
111.08060	5.4
111.11710	3.4
121.10139	11.8
123.11653	4.4
125.09644	3.5
130.08611	6.5
133.08603	13.2
133.21497	2.3
135.11664	11.1
149.13261	9.6
163.14766	3.0
174.55554	2.3
177.11192	3.8
184.07327	15.2
239.21338	2.4
274.17093	2.5
331.29758	3.6
349.30911	5.0
385.33011	18.4
423.34567	20.7
441.35690	24.1
497.38318	18.8
515.39325	100.0
540.48358	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	550.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87114	0.1
55.05493	0.3
56.05019	0.6
57.03426	0.2
58.06608	0.5
60.08151	5.9
62.31952	0.1
62.76350	0.2
64.19804	0.1
67.05490	0.3
69.07042	0.3
69.74898	0.2
69.89334	0.3
69.89758	0.6
70.06583	0.3
71.04984	0.2
71.07364	3.1
79.05463	0.3
81.07026	0.8
83.08601	0.2
85.02890	0.3
86.09688	31.2
90.66740	0.2
91.05421	0.4
93.07021	0.4
95.04958	0.3
95.08562	0.4
97.02875	0.3
97.06543	0.2
98.20790	0.2
98.98449	2.6
104.10726	4.5
105.07028	0.4
107.08590	0.3
109.06492	0.2
119.08570	0.3
123.11725	0.2
124.99976	20.6
131.08527	0.2
143.01004	0.5
145.10004	0.2
166.02586	0.2
167.06880	0.2
184.07298	100.0
185.07555	0.3
228.60788	0.2
258.10965	0.2
264.95685	0.2
306.10992	0.2
344.49731	0.2
345.30035	0.2
452.24081	0.2
489.18185	0.2
518.19855	0.2
532.30365	1.5
550.31311	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	550.4303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	17.2
57.03416	8.3
57.07071	29.2
59.04983	11.5
60.08147	4.3
62.31779	2.1
67.05494	21.5
69.07057	24.9
71.08620	22.2
71.99089	2.2
73.02905	3.0
79.05466	7.5
81.03436	2.4
81.07043	28.9
83.04960	2.4
83.08604	21.4
84.04581	2.5
85.10180	18.0
86.09697	18.2
87.04449	9.2
89.06013	12.5
91.05435	3.7
93.07018	10.2
95.08585	27.0
97.06489	7.8
97.10139	18.4
98.21112	12.4
104.10720	23.7
107.08594	8.9
109.10159	12.6
111.08096	2.5
111.11672	3.9
114.37416	2.2
115.07502	2.5
119.08487	2.4
121.10141	12.8
123.11687	4.9
124.99993	7.3
125.09590	4.1
131.07007	4.6
133.08592	4.8
133.10085	2.2
135.11685	11.0
139.11230	2.9
139.31262	2.1
149.13240	6.8
158.53223	2.4
177.11195	4.7
184.07304	35.2
331.29773	2.8
349.30835	3.0
366.74054	2.4
385.33163	17.7
423.34647	31.7
441.35638	24.4
459.30038	2.3
482.06107	2.3
497.38501	13.8
515.39362	100.0
516.39703	5.7
550.38721	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	550.306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.4
61.02905	0.8
69.03410	1.7
69.51859	3.3
70.06584	2.8
71.04987	0.8
72.08137	0.7
73.02905	0.6
73.06525	1.0
74.06089	0.5
81.03404	0.7
84.08128	1.1
85.02892	5.4
86.09691	0.5
87.04459	4.3
87.07939	0.5
89.06017	100.0
90.25555	0.3
91.07571	0.4
97.02869	1.0
98.20724	0.5
103.46156	0.3
103.73859	0.4
107.07054	2.5
116.07073	0.5
116.39124	0.4
117.03445	0.4
119.04967	0.4
120.08144	0.4
127.03903	1.0
129.10272	0.4
130.08627	1.8
131.07021	1.3
133.08580	56.1
136.07570	0.8
137.05956	0.9
140.12631	0.4
145.02788	0.5
146.08078	0.5
147.04388	1.2
169.87506	0.4
175.14899	0.4
176.03407	1.7
177.05386	0.8
177.11203	25.9
178.04849	1.9
195.12260	0.6
207.13710	0.6
221.13818	3.9
221.60124	0.4
239.14897	1.5
253.09552	0.6
265.16348	1.7
283.17477	4.9
291.07382	0.5
309.18878	0.5
327.20126	4.2
337.08264	0.5
346.12317	0.4
353.21716	1.1
355.09024	0.7
371.22702	94.2
372.23050	0.9
383.08423	1.0
438.35803	0.4
506.14905	0.6
550.24084	1.9
550.31238	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.4
55.05507	0.6
57.03435	1.7
58.39740	0.3
61.02917	0.9
69.03421	2.7
70.06583	0.6
71.54948	0.6
72.08153	0.5
73.02905	3.8
73.06544	4.5
74.06081	0.4
79.05486	0.8
81.03416	0.6
83.06105	0.5
84.04503	2.8
84.08132	1.0
85.02891	10.7
85.04022	0.4
86.09702	2.5
87.05572	0.6
87.16304	0.3
88.03968	0.3
91.03980	0.5
91.05454	0.6
92.34743	0.3
93.07043	1.0
97.02877	4.4
99.04440	0.4
103.05442	5.4
107.04937	0.9
108.04482	0.4
109.02864	1.1
110.48389	0.3
112.02162	0.4
114.10095	0.3
115.03913	2.9
116.54686	0.3
117.03348	0.4
119.04904	0.5
120.08086	100.0
121.08419	0.9
126.05505	2.2
127.03902	4.2
130.04994	1.0
130.08600	0.9
131.04922	2.8
133.04955	1.0
136.03894	0.6
138.05496	0.5
140.01636	0.7
141.10211	0.5
142.03197	1.2
145.02855	1.1
145.04936	6.4
146.08127	1.2
147.04408	2.5
149.05951	1.9
163.03873	1.0
163.06001	4.5
166.08615	46.5
167.09015	0.3
169.08609	1.8
170.02716	0.3
177.03252	3.1
177.05438	1.9
183.11208	0.4
184.62871	0.3
185.03719	0.4
187.09607	1.3
200.13942	1.6
204.08583	0.8
211.07063	0.3
217.10612	0.7
223.11717	1.7
228.13402	2.7
231.04266	1.2
233.14879	0.3
243.04291	0.7
243.06516	0.4
249.01541	0.3
253.12814	8.4
259.08072	0.5
263.84290	0.3
271.02069	0.3
295.10178	1.1
329.18286	0.4
330.16434	0.4
347.19131	0.4
395.77377	0.3
421.08182	1.3
475.08734	0.4
540.07306	0.3
550.13397	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.6
55.01853	0.7
55.05509	0.3
57.03407	0.4
65.03912	0.4
67.05499	0.8
69.03413	1.2
69.07043	0.2
69.33117	1.2
69.33533	0.3
70.06575	1.4
71.04960	0.3
71.41695	0.1
72.08118	0.3
73.02890	0.5
79.05479	1.7
81.03400	2.0
81.07030	0.6
83.04946	0.2
84.04481	0.2
84.08146	0.9
84.08551	0.1
85.02888	1.5
86.09654	0.3
91.05461	11.5
93.03388	0.8
93.07022	7.3
93.07623	0.3
95.04920	1.1
95.08594	1.4
97.02870	1.6
98.20691	0.3
99.04423	0.4
101.02338	0.2
103.05439	0.7
104.06242	0.3
105.03352	0.2
105.07030	1.2
107.04940	0.4
107.08588	0.4
109.02876	0.8
109.06492	0.4
109.10100	0.4
110.07135	0.2
111.04426	0.7
111.08143	0.1
115.05462	0.4
117.07001	2.5
119.04890	0.3
119.08556	17.4
120.08105	0.3
121.06435	0.9
121.10109	0.9
123.04399	0.6
123.08027	0.5
127.03883	1.0
128.06198	0.4
129.06981	1.6
130.08591	1.1
131.04871	0.2
131.08582	0.2
132.04430	4.0
132.05524	0.3
133.10100	0.3
135.07979	0.4
136.07518	0.3
137.05951	0.5
137.08569	0.2
137.09567	0.8
145.04919	0.6
145.10106	0.2
146.08113	0.4
147.04384	0.2
147.08015	8.7
149.09685	0.2
151.11137	0.1
160.03880	0.3
161.05946	0.6
161.09616	0.2
165.07770	0.3
165.09093	5.0
176.03270	0.2
177.05470	0.2
178.04951	47.5
179.05295	0.5
181.04961	0.3
191.06946	0.2
193.08536	0.7
201.06557	0.2
203.07103	0.2
206.04440	100.0
207.04778	0.8
207.06500	0.3
207.13799	0.4
208.14000	0.4
214.10521	0.2
225.07489	0.4
225.10168	0.2
227.08026	0.2
241.09776	0.3
242.10167	0.3
243.08517	0.3
253.09737	0.2
254.09915	0.3
256.11401	0.2
257.12787	0.4
258.13071	0.6
267.12158	0.4
268.11722	0.4
269.12210	0.2
291.12036	0.6
295.10666	0.3
296.10794	0.2
297.11945	0.3
298.12018	0.2
309.13217	0.4
313.11685	0.5
314.11996	1.2
315.13062	0.4
327.14261	0.4
342.11972	0.4
343.12259	0.6
368.09637	0.7
388.23172	0.4
490.15421	0.9
514.16876	0.8
518.14337	1.3
532.18024	11.6
547.06781	0.2
550.17310	3.4
550.26654	0.2
550.29382	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.7
55.01862	1.3
55.05505	0.7
56.05031	0.7
56.91058	0.8
57.03424	1.7
60.04519	0.7
64.16949	0.6
65.03925	1.1
67.05489	2.2
69.03424	3.4
69.07056	1.0
70.06583	3.6
71.04984	1.4
71.11101	1.4
72.08130	1.4
73.02910	0.7
79.05476	1.3
81.03407	2.5
81.07030	1.0
84.04485	1.0
84.08154	2.8
85.02897	5.5
86.09698	1.8
88.02213	0.5
89.06004	0.7
91.05479	3.2
93.07006	1.8
94.06561	1.4
95.04941	2.1
95.08573	1.4
97.02874	1.9
99.04440	1.0
100.07578	0.7
101.27983	0.7
103.05445	0.6
105.07014	2.6
107.04923	1.4
107.08584	2.1
109.02872	1.7
109.06505	1.2
115.05406	0.8
119.08564	2.1
120.08072	1.3
121.06475	1.7
121.10120	1.6
123.08054	2.0
125.06012	0.7
127.03909	2.1
129.10201	1.0
130.05009	1.0
130.08606	0.8
131.08577	0.9
132.04456	1.0
133.06442	1.0
133.10098	2.0
134.06001	0.6
135.07976	0.8
136.07613	1.1
137.05968	3.2
145.04962	1.7
145.06224	0.6
145.10110	0.9
146.05989	1.7
147.04431	1.5
147.11685	1.2
148.07559	0.9
149.05956	1.0
151.07507	3.3
151.11151	0.9
153.02667	0.6
153.05479	0.8
161.05887	1.2
162.05585	0.7
163.11137	2.0
165.09042	0.9
167.07045	2.3
173.13057	0.6
176.03438	1.6
177.05501	2.1
178.04970	16.0
179.05353	6.5
179.06898	1.3
181.04947	15.9
182.05257	8.1
182.09677	0.8
189.12698	3.7
191.14287	1.2
196.11386	0.8
197.10762	1.8
198.07730	1.0
198.11487	0.7
199.08614	6.9
203.06981	0.8
206.04463	16.0
207.04829	9.7
207.06627	1.2
207.13785	18.0
209.08195	1.3
211.08612	6.3
211.12363	0.9
212.09300	3.2
213.10204	7.4
214.10983	2.4
224.10876	0.8
225.10175	15.9
225.14819	1.0
226.07370	7.2
226.10789	5.8
227.08116	10.1
227.11674	6.0
237.10118	1.0
239.08130	1.2
239.11700	6.1
240.08939	1.7
240.12474	5.3
241.09692	11.3
241.13416	1.8
242.10413	7.5
245.12946	0.7
251.11761	1.4
252.09067	1.2
253.09682	10.1
254.10483	1.8
255.11232	11.1
257.12823	29.3
265.09811	0.9
267.08151	1.2
267.11270	10.5
268.08850	1.2
268.12006	11.0
269.09143	2.0
269.12808	3.8
270.10001	1.1
271.10776	1.3
273.12500	0.9
279.11066	0.8
280.12079	2.1
281.09109	1.4
282.09964	0.7
283.10803	1.2
284.11502	2.2
285.12317	5.4
286.09543	0.7
286.13110	1.6
295.10742	8.3
296.11487	10.2
297.12302	3.9
298.13297	1.1
298.68597	0.8
299.10168	1.7
300.11105	0.8
313.11792	39.0
314.12558	18.0
315.13303	1.7
323.09995	1.0
324.10889	1.4
326.09525	1.2
341.11191	4.4
342.12051	31.1
345.14548	0.8
355.09091	0.8
355.12970	1.2
356.13599	0.9
373.13971	9.6
374.14447	5.1
383.08514	0.7
385.05365	1.2
401.09714	2.3
415.15073	0.7
417.12561	1.2
429.12805	2.5
433.15790	1.0
443.14688	6.0
455.14404	1.3
456.13068	0.7
457.12378	2.5
471.13992	5.7
473.15723	2.7
475.12759	0.8
488.14746	0.8
489.14969	34.4
490.15228	1.2
499.13525	1.6
517.14478	41.0
518.15186	1.5
531.15765	1.3
549.17059	100.0
550.17139	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	548.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	4.0
55.05503	17.0
57.03419	10.9
61.02920	3.6
65.03919	3.3
67.05167	4.9
67.05492	46.1
69.03409	4.6
69.07069	18.0
70.06573	3.8
70.63033	9.3
71.04979	3.5
79.05483	38.9
81.03402	4.4
81.07043	39.4
82.58083	2.8
83.04963	5.1
83.08595	15.3
85.02894	7.6
85.06524	3.5
91.05463	26.7
93.07025	38.1
95.04967	5.1
95.08604	33.5
96.07591	3.0
97.02891	4.7
97.06520	8.2
97.10149	6.5
105.07009	26.6
107.08577	37.4
109.06488	4.4
109.10126	25.6
111.08063	6.7
117.06234	2.6
117.07018	9.4
119.08570	23.4
121.10126	25.5
123.11675	4.9
125.09602	5.0
129.06979	5.4
130.08629	3.3
131.08537	15.1
133.10101	23.7
135.11661	23.0
136.37424	2.6
137.09625	4.0
139.07611	2.5
143.08539	3.2
145.10130	9.8
147.11674	18.3
149.09769	3.2
149.13245	10.9
157.10101	5.6
159.11658	12.3
161.13251	9.6
163.11171	3.0
171.11630	7.5
173.11784	6.4
173.13165	7.2
175.14838	4.0
185.13187	6.3
187.14754	6.4
219.17618	3.1
229.14340	12.9
241.19460	8.2
259.20535	29.2
277.21616	35.6
292.97070	3.5
333.24179	6.4
351.25232	100.0
369.26312	3.8
421.25177	4.0
513.29944	4.2
548.35156	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	548.363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.5
55.05507	0.8
56.08367	0.5
57.03420	1.5
59.04988	25.3
61.95629	0.5
66.50589	0.6
67.05490	1.4
69.03418	1.2
69.07056	0.7
69.26727	3.6
69.27155	1.7
70.06583	3.5
72.08158	0.9
73.02900	1.8
73.06537	1.6
74.06056	0.7
74.09706	0.9
76.02232	0.6
79.05476	1.3
81.03397	1.0
81.07047	1.7
82.06565	0.7
83.04962	0.7
84.04510	0.5
84.08141	2.4
85.02885	3.4
85.06522	0.6
86.06050	0.6
86.09686	1.6
87.04453	8.6
88.04025	0.7
89.06013	100.0
91.05463	2.0
91.07586	0.7
93.07030	2.2
95.04951	1.7
95.08588	1.8
97.02858	1.7
97.06497	0.7
98.21591	0.6
99.04450	1.5
100.07611	0.5
101.05995	0.8
103.03917	0.9
103.07558	3.1
103.36488	0.5
105.07019	1.9
107.04941	0.7
107.07057	4.2
107.08551	1.7
109.02876	1.3
109.06501	0.7
109.10160	1.0
113.06025	0.8
115.07559	0.5
116.10697	1.1
117.05450	0.7
117.09095	2.7
119.08568	2.1
120.08110	0.5
121.06481	1.2
121.10119	1.4
123.08089	1.0
127.03902	1.6
129.06627	0.5
130.08600	3.3
131.07018	3.3
131.08508	0.8
133.08578	61.2
135.10101	0.6
136.07530	0.5
137.05896	0.9
145.04915	1.0
145.10133	1.8
147.08047	0.9
147.10196	0.7
147.11662	1.7
149.06111	0.5
151.07574	0.6
161.05991	0.7
161.09625	0.5
161.11703	1.8
163.06007	0.7
163.11160	1.8
166.08530	0.5
167.07056	2.1
175.09682	2.4
177.05516	0.7
177.11189	26.8
178.04959	1.7
189.12714	3.0
191.12724	0.9
195.12259	0.6
206.04436	4.9
207.13832	1.4
221.13763	4.8
225.14822	0.6
239.14877	2.3
265.16580	1.1
283.17532	2.5
291.10721	0.5
327.19998	3.2
342.03772	0.5
360.12518	0.6
364.22653	0.6
368.15302	0.7
371.22632	3.7
415.25314	25.9
427.14139	1.5
434.24295	0.7
473.29599	5.1
531.33704	5.4
548.19696	0.9
548.36530	1.2
549.19934	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.9
55.05494	12.5
56.21449	2.7
56.39239	2.7
56.48808	2.9
57.03422	13.5
61.02905	4.0
63.42817	2.6
67.05496	31.9
69.03403	3.0
69.07051	16.9
69.46976	26.8
71.04978	5.5
79.05482	34.1
81.07043	37.6
83.08598	9.0
85.02877	7.3
86.71118	3.0
91.05469	25.5
93.07021	42.4
95.08601	32.6
97.02924	3.9
97.06503	3.6
97.10146	7.9
105.07017	34.3
107.08574	29.1
109.06506	5.7
109.10162	12.5
117.07008	10.1
119.08564	23.9
121.10129	28.2
123.08044	7.0
123.51427	3.2
125.09634	6.0
129.06990	7.4
131.08565	19.6
133.05823	3.4
133.10083	19.5
135.11676	20.4
143.08496	5.0
145.10109	19.3
147.11620	19.1
149.13232	12.8
157.10159	4.2
159.11661	14.9
161.13242	9.7
171.11591	5.5
173.13249	8.5
175.14774	4.3
177.12663	4.6
179.95242	3.2
185.13182	5.6
187.14824	11.0
195.13936	3.2
201.16351	5.8
241.19466	14.7
259.20547	32.1
269.17599	5.3
277.21494	26.2
293.21045	4.0
333.24139	4.2
335.21344	3.2
351.25229	100.0
351.29541	4.8
467.97363	4.1
513.30316	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	548.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
55.05490	2.2
58.99563	0.9
59.04980	1.8
60.04516	0.6
67.05478	1.4
68.05017	0.8
68.89400	0.7
69.03409	1.4
69.07061	0.8
69.83701	4.6
70.06594	4.9
72.08129	0.9
72.16515	0.7
76.02211	1.9
79.05467	1.3
81.03400	1.2
81.07032	2.3
82.06548	2.4
82.35104	0.6
82.61378	0.6
83.04951	1.0
84.04476	1.9
84.08140	4.7
85.02876	2.1
85.06601	0.7
86.09688	1.6
87.04449	2.2
89.06010	5.1
91.05448	3.4
93.07004	1.4
94.06509	0.9
95.04932	2.2
95.08547	1.3
97.06476	1.0
97.84422	0.8
98.21439	0.7
99.04446	0.8
103.03941	4.8
105.07021	2.2
106.04141	1.2
107.04934	2.6
107.08588	0.9
108.08080	1.2
109.06505	1.3
109.10135	0.9
110.03499	0.8
110.07130	0.8
116.07059	1.1
119.04955	1.2
119.08554	1.5
120.08092	0.8
121.06449	2.3
121.10119	1.2
124.07541	1.9
127.03902	1.4
130.08627	4.0
131.04890	1.2
131.08517	1.1
133.08592	5.0
133.10046	0.9
135.08031	1.0
135.11658	0.9
136.07535	1.3
137.05949	1.3
144.06522	0.7
146.08080	1.4
147.04391	1.7
147.06735	0.7
148.07509	0.8
149.05951	1.4
149.09537	0.8
151.07465	0.7
152.07071	0.9
153.09058	2.0
154.08636	0.9
161.05896	1.2
162.02261	1.2
163.03831	2.2
163.11166	1.7
166.08585	3.4
167.06981	4.1
174.89526	0.7
175.07414	0.9
177.05458	2.0
177.11205	1.6
179.04846	1.9
180.08794	20.7
181.04883	1.9
181.08717	1.2
182.09358	0.8
187.08730	1.0
191.06979	1.4
191.09103	0.8
192.07727	1.5
192.10066	0.8
194.08133	1.3
198.05348	0.8
200.47380	0.7
201.10153	0.8
203.06990	0.9
207.06429	1.2
207.16141	0.7
208.09720	0.8
209.08006	2.0
210.08604	1.9
211.08618	0.7
215.08192	1.1
220.09822	0.7
223.13249	1.4
225.10190	0.8
227.08218	1.3
227.12834	0.8
228.08760	1.3
229.09735	3.4
230.08183	1.2
239.08206	2.1
243.07549	3.5
243.11366	1.6
247.10805	1.7
248.09172	1.5
250.10712	1.3
253.09659	1.7
257.09131	8.3
258.07501	1.5
258.09955	1.5
261.12366	1.1
267.07657	3.0
267.33075	0.8
271.07016	1.2
271.10773	3.6
273.08475	0.6
273.12170	1.0
275.10074	0.9
276.08615	10.0
281.09299	1.3
283.07080	1.3
285.08615	2.8
285.12228	2.1
286.12967	1.8
289.11755	5.4
299.10214	9.6
300.12039	0.9
301.08069	1.3
302.08865	1.0
303.09903	0.9
303.13278	1.6
308.09012	1.6
313.11737	5.8
315.13284	3.2
317.11276	5.5
331.09137	1.3
331.12845	15.8
341.07492	0.7
341.11224	5.3
359.12314	100.0
360.12643	2.4
377.13397	19.1
378.13806	0.9
383.11111	1.5
391.14954	60.3
392.15170	1.0
500.95486	0.9
530.25616	2.2
548.18506	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
55.01870	0.7
55.05493	0.6
56.05021	0.5
57.03429	0.5
57.35592	0.3
59.04991	0.8
61.01141	0.3
65.03924	3.0
67.05498	1.8
68.05043	0.3
68.29903	0.3
69.03426	2.1
69.07053	0.5
70.06581	4.0
71.05003	0.5
72.08134	1.5
73.02898	0.4
79.05479	0.7
81.03409	4.7
81.07046	1.0
81.77226	0.4
82.04186	1.3
82.06556	0.9
84.04507	0.7
84.08125	3.5
85.02896	4.5
86.09711	1.5
87.04459	1.0
89.06004	1.0
91.05473	0.8
93.03382	0.9
93.07036	0.6
94.06521	0.3
95.04951	1.4
95.08575	0.4
97.02898	1.6
97.06491	2.1
98.06030	0.5
99.04436	1.0
100.07588	0.7
103.03929	1.0
105.07006	0.7
106.04141	0.6
108.02075	0.6
108.04394	0.4
109.02869	2.1
109.06502	0.4
109.10140	0.5
110.03645	1.6
110.07209	0.3
111.04430	1.0
119.08617	0.4
120.08084	0.7
121.06480	0.9
121.10125	0.4
123.04440	0.8
125.05991	2.0
126.05471	0.3
127.03892	1.4
129.10223	0.6
130.08614	3.3
131.04930	0.5
131.08568	0.3
132.04430	5.9
133.06436	0.3
133.10085	0.5
136.07600	0.7
137.05951	0.7
138.03108	0.8
139.03883	0.5
140.04646	3.6
140.07008	0.5
142.02579	1.3
143.03497	0.4
146.08105	2.8
147.04340	1.1
149.05922	0.8
149.72771	0.3
153.05450	0.8
155.07027	1.5
160.03928	0.6
161.05936	0.4
163.03902	0.3
167.07005	1.7
168.06340	0.4
171.06491	3.6
173.09570	0.4
177.05437	1.1
177.09084	0.3
178.04967	57.6
179.05313	0.4
181.04927	97.1
182.05275	1.2
182.09277	0.6
191.06975	0.5
192.07820	0.7
193.05095	0.4
199.05954	2.9
201.06845	0.4
203.06944	0.5
206.04454	100.0
207.04758	0.5
208.09448	0.3
209.08047	1.1
210.08798	0.6
211.08913	0.4
219.07678	0.3
219.10138	0.3
223.04184	0.7
223.13268	0.5
228.92514	0.4
229.15675	0.3
239.11818	0.5
241.09607	0.5
253.09583	0.6
255.11240	0.4
257.12753	0.4
267.11191	0.6
313.11795	2.1
325.09091	5.7
342.12259	0.5
343.10172	5.1
373.13892	4.1
375.11597	0.5
386.12198	0.6
393.12793	0.3
403.13696	0.4
472.30655	0.4
489.15472	0.4
517.14374	0.4
530.91296	0.4
548.13458	4.0
549.17078	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	546.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.8
53.73067	2.2
55.05499	11.1
57.03413	4.6
57.07050	2.2
57.52122	2.5
57.59617	2.1
61.02907	9.3
63.56628	2.0
67.05159	4.4
67.05489	48.9
68.89046	2.0
69.03407	4.2
69.07066	9.2
70.06876	12.0
79.05475	26.2
81.03397	3.3
81.07038	54.4
83.08598	7.2
85.02888	4.8
85.06522	2.3
86.09696	6.8
87.41836	2.1
91.03947	5.0
91.05457	13.8
91.65361	2.4
93.07027	38.3
95.04960	5.8
95.08585	44.2
96.39307	2.2
97.02871	5.2
97.06514	4.1
97.10133	5.7
98.21470	2.9
99.08049	2.6
105.06996	14.0
107.08563	27.6
108.08867	2.6
109.10118	31.5
117.06985	6.7
119.08562	9.8
121.10131	23.2
123.11674	17.6
124.99870	4.8
125.09608	2.6
131.08527	16.1
133.10095	8.3
135.11670	22.0
137.13248	7.1
145.10083	7.6
147.11687	12.7
149.13232	15.1
159.11702	9.0
161.13226	9.8
163.14801	9.5
173.13225	12.6
175.14793	3.6
177.16437	4.4
179.14224	3.5
184.07323	20.7
187.14842	6.2
201.16373	2.6
205.15927	3.2
243.21019	33.0
261.22083	100.0
274.70483	2.4
279.23087	5.7
280.10587	2.5
306.43536	2.5
322.09094	2.7
335.25647	29.6
353.26733	43.4
355.17932	2.4
528.37561	4.0
546.38519	14.1
571.74799	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	2.5
55.05495	11.0
57.03671	3.4
61.02916	7.1
67.05491	46.6
69.03446	2.6
69.07047	12.3
69.83904	18.6
77.20784	3.0
79.05471	25.3
81.07044	56.6
83.08616	7.9
85.02891	8.8
91.05482	16.5
92.58689	2.8
93.07023	37.8
95.01276	2.7
95.08582	41.0
97.02865	5.8
97.10190	4.8
99.84655	3.1
100.54949	2.7
105.07000	17.3
107.08553	25.5
107.09083	2.5
109.06485	3.1
109.10130	25.3
117.06973	8.3
119.08588	11.3
121.10132	28.5
123.08052	2.7
123.11674	17.9
127.03867	2.8
131.08577	17.5
133.10123	11.1
135.11661	20.3
137.13232	5.2
145.04991	2.9
145.10120	15.8
147.11655	10.8
149.13239	21.3
151.14822	3.4
159.11647	14.5
161.13237	13.0
163.14799	14.3
163.60475	2.8
170.81537	2.9
173.13223	14.6
175.14807	4.7
177.16385	7.5
187.14821	9.3
189.16434	3.1
189.46552	2.9
201.16364	3.2
233.22595	3.2
243.21016	29.7
261.22073	100.0
335.25555	13.5
353.26767	45.2
374.30466	6.6
413.98285	3.0
546.36896	6.9
558.39667	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.3
55.05493	0.7
57.03425	0.4
59.04985	1.8
62.14634	0.3
67.05482	0.9
67.39494	0.3
69.03409	1.2
69.07038	0.6
70.06579	3.6
71.04970	0.7
71.19214	0.7
72.08164	0.6
72.72354	0.3
73.02900	1.2
73.06537	1.9
79.05485	0.4
81.03440	0.7
81.07037	1.0
83.04945	0.5
84.04482	1.0
84.08127	1.4
85.02889	1.8
86.06038	0.3
86.09708	2.3
87.04447	10.4
88.02229	0.4
89.06013	100.0
91.05457	0.9
91.07600	0.5
93.07015	1.3
95.04932	0.5
95.08590	0.8
97.02874	0.7
97.06530	0.5
101.07164	0.4
103.05485	0.3
105.07010	1.0
107.05018	0.3
107.07050	4.3
107.08585	1.0
109.02853	0.7
109.06510	0.4
109.10161	0.8
110.07105	0.7
111.08063	0.4
113.05996	0.4
115.05408	0.4
115.07574	0.4
117.09105	1.4
119.08572	0.8
120.08056	0.4
121.06462	0.9
121.10105	1.0
123.08092	0.4
123.11710	0.4
125.09601	0.4
127.03891	0.9
129.10204	0.5
130.08615	2.1
131.07018	3.4
133.08578	57.7
135.07993	0.8
136.07565	0.6
137.05949	1.3
137.09523	0.3
145.02798	0.6
145.04912	0.4
147.04445	0.6
147.11697	0.5
149.05928	0.4
149.09511	0.4
153.09131	0.3
159.11650	0.5
161.06065	0.4
161.09615	0.5
163.03944	0.8
165.12759	0.4
167.06973	1.5
175.03850	0.4
175.09654	1.9
175.14778	0.3
177.05440	1.2
177.11195	18.9
177.90807	0.3
181.04852	0.8
189.09091	0.3
193.10695	0.4
207.06448	0.6
213.98283	0.3
217.12096	0.4
217.15825	0.7
219.12428	0.4
221.13803	2.8
223.13290	0.4
235.16861	2.6
239.14709	0.5
249.05994	0.3
253.17889	0.9
283.17426	1.0
303.05029	0.7
327.20102	0.5
371.22025	0.4
417.14655	0.3
503.30463	0.7
547.18347	1.2
547.32654	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.2
55.05497	4.4
57.03423	3.2
57.07050	1.8
62.06082	1.1
65.03931	0.5
67.05492	7.8
69.03423	0.5
69.06715	0.6
69.07055	7.4
70.67588	0.4
70.67931	1.5
71.04987	1.1
71.08614	4.2
79.05473	4.7
81.03399	0.6
81.07041	10.8
81.94679	0.4
83.04964	0.9
83.08608	3.9
84.08144	1.0
85.06499	1.4
91.05457	4.8
93.07014	6.8
93.55162	0.4
95.04947	0.9
95.08591	8.5
97.06528	2.5
97.10130	1.6
98.06017	1.0
98.98456	2.7
99.08064	1.9
101.19434	0.4
105.07013	6.5
107.08576	7.0
109.06494	7.0
109.10142	3.5
111.08043	1.4
115.91007	0.4
117.06975	1.2
119.08553	9.4
120.10077	0.4
121.06454	0.7
121.10109	4.1
123.07181	0.9
123.08041	13.9
123.11674	2.0
125.09599	1.3
129.06947	0.5
130.08681	0.9
131.08516	2.2
133.10103	7.4
133.23209	0.4
135.08020	7.0
135.11655	2.1
135.68756	0.4
136.90689	0.4
137.09586	1.2
137.13223	0.8
139.11147	0.4
143.08545	0.7
145.10075	3.5
147.08044	0.7
147.11665	5.4
149.09590	1.9
149.13231	1.9
157.10063	1.3
159.11667	2.8
161.09627	1.1
161.13225	1.3
163.11171	1.0
163.14790	0.4
165.12718	1.5
167.14272	1.4
171.11572	0.9
173.13220	1.6
175.11176	0.5
175.14777	6.3
177.12654	2.9
179.14273	19.9
185.13190	0.6
187.14937	0.7
191.14279	1.0
193.15880	1.3
205.15807	2.8
216.06265	1.5
231.15807	0.6
263.19971	1.7
267.16016	0.7
271.20639	0.5
275.20038	1.3
289.21561	5.8
293.21127	1.6
303.26801	1.6
319.22632	1.4
331.26257	10.9
337.23734	0.8
347.25784	0.7
349.23538	1.1
349.27264	6.1
357.27927	0.6
361.27310	0.9
369.27649	0.9
374.30463	5.2
375.28906	1.5
387.28876	5.1
405.29907	100.0
406.30273	2.9
485.26419	1.0
503.27524	5.3
512.75952	0.5
528.30261	0.7
546.31256	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	546.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05474	0.7
67.05454	0.9
69.07024	0.6
70.06572	2.1
70.06885	0.3
70.86829	0.7
70.87172	0.4
71.04982	3.2
72.08112	0.7
73.02924	0.3
79.05473	0.6
81.03368	0.9
81.07049	1.7
82.06541	0.8
83.04942	0.7
84.04491	0.5
84.08122	2.7
85.02895	4.4
85.31776	0.3
85.44806	0.3
86.09706	1.6
87.04417	0.4
89.05981	0.6
91.05426	0.3
91.85568	0.3
93.06979	0.6
95.04935	0.8
95.08579	0.9
97.02856	0.5
98.06008	0.5
103.03872	0.5
105.03352	0.5
105.07009	0.5
107.04939	0.4
107.08550	0.6
109.02862	0.7
119.04881	0.7
119.08558	0.6
120.08082	0.3
121.02842	0.9
121.10105	0.6
124.03912	0.3
125.09549	0.3
127.03920	0.7
128.07028	1.1
129.05437	1.4
130.08630	2.0
131.08481	0.5
135.08038	0.4
137.02322	16.1
137.05949	0.5
141.12677	1.1
147.04416	0.9
149.02304	0.6
151.07527	0.4
153.09047	0.9
159.04333	0.4
163.03893	2.6
165.05348	0.3
165.06837	0.5
171.10042	0.5
175.03851	3.0
187.03787	0.5
191.03372	3.6
197.05923	1.2
203.03325	1.6
203.06902	0.4
206.04326	0.8
211.07460	0.4
215.03253	0.4
215.06943	0.6
225.05446	0.8
239.06982	1.5
243.06494	1.0
249.05441	0.4
253.04849	0.5
257.08072	0.5
267.06540	1.5
271.05966	3.2
277.04968	0.4
285.07523	3.5
295.06033	1.6
299.05438	1.9
313.07025	7.5
313.10718	0.4
317.06409	1.9
323.05396	0.8
325.07053	0.8
326.04291	0.4
327.04929	6.3
341.06494	85.6
342.06760	1.2
343.08020	1.2
349.16656	0.5
349.25742	0.8
351.05051	0.7
369.05984	41.6
370.06030	0.4
391.15359	0.4
400.10196	100.0
401.10571	0.9
546.15863	6.2
546.23810	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94448	1.0
55.01857	2.0
55.05501	6.2
57.03415	4.2
57.07049	1.3
67.05496	6.1
69.03414	1.3
69.07055	8.3
69.17111	10.6
71.04965	1.0
71.08611	3.1
72.00424	0.9
79.05488	5.9
81.03408	1.1
81.07043	11.8
82.70995	0.9
83.04945	1.9
83.08626	4.8
83.09055	1.0
85.06537	1.6
87.04446	0.9
91.05460	4.8
93.07038	9.3
95.04918	1.9
95.08588	10.7
97.02840	1.4
97.06494	2.8
97.10155	1.2
98.98448	2.9
99.08061	2.1
105.06992	6.0
107.08578	7.9
107.41577	1.0
109.06499	7.1
109.10134	6.2
111.08006	1.0
117.06983	1.3
119.08562	8.3
121.10129	6.5
123.08051	13.5
123.11678	3.0
125.09602	1.7
127.51968	1.1
131.08487	2.6
132.34970	1.0
133.10136	8.8
135.08031	5.7
135.11642	2.2
143.08508	1.2
145.10089	3.8
147.11685	4.9
149.09598	1.9
149.13254	2.2
157.10080	1.6
159.11649	2.1
161.09578	1.2
161.13220	1.9
163.11092	1.3
165.12798	1.2
167.14316	1.6
171.11720	1.0
173.13202	1.5
175.14806	4.2
177.12729	3.8
179.14281	18.3
185.13286	1.1
191.14305	1.5
193.15884	1.6
205.15823	2.7
208.16711	1.0
216.06223	1.3
224.58517	0.9
230.58801	1.2
231.15790	1.2
265.14209	1.4
267.15848	1.2
275.20178	1.7
289.21573	4.6
293.21036	1.9
301.16153	1.4
303.26645	1.3
313.25531	1.0
319.22546	1.3
331.26294	11.2
337.23846	1.3
347.26004	1.0
349.23416	1.5
349.27383	4.5
369.27863	1.4
374.30426	2.5
375.29034	1.6
387.28873	6.3
396.58072	0.9
405.29926	100.0
406.30243	2.0
454.45850	1.1
475.26712	1.1
488.17722	1.1
503.27734	5.5
511.29160	1.7
546.31805	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	544.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05018	1.4
67.05499	0.2
69.03422	0.4
70.06586	0.2
71.04979	0.2
71.14094	0.3
81.07021	0.2
84.08128	56.3
85.02871	0.3
85.08493	0.2
91.05476	0.5
95.08620	0.1
105.07013	0.2
107.08562	1.1
111.04517	0.1
117.06946	0.2
119.08561	10.6
127.89410	0.2
130.08617	100.0
130.15855	0.7
131.08923	0.3
135.08044	1.4
145.10127	0.1
147.06522	0.2
156.35747	0.1
192.74034	0.2
281.13708	0.4
415.21118	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52366	0.4
53.03935	0.5
55.01855	0.9
55.05499	3.2
56.05017	1.4
57.03415	0.8
59.04988	0.7
60.04501	0.4
67.05489	4.6
69.03406	1.5
69.07057	3.1
70.02940	7.4
70.06583	5.6
71.04977	1.4
71.07355	0.8
71.55312	0.6
72.08145	5.6
73.02898	0.4
74.02428	3.9
74.51781	0.4
79.05464	2.3
81.03396	1.4
81.07044	3.6
82.06543	1.1
83.04948	1.1
83.07346	0.8
84.04491	0.6
84.08115	1.8
85.02858	0.9
85.06522	0.9
86.06050	63.3
86.09226	0.4
86.09682	3.4
87.04436	1.6
88.03976	21.8
89.05997	0.5
91.05465	6.7
93.07027	5.3
94.06506	0.5
95.04931	1.0
95.08585	9.1
96.08115	2.4
97.06503	1.2
98.06023	0.6
98.09678	11.5
99.04421	2.4
100.07581	0.7
101.02487	0.4
105.06995	1.9
107.08548	1.2
108.08105	0.5
109.06496	1.3
109.10141	3.7
111.08023	0.5
114.09157	1.0
116.03466	3.2
116.10708	71.1
117.03344	0.9
117.07027	0.6
117.11018	0.8
118.03745	0.5
119.08562	11.7
120.08101	0.6
121.06443	1.0
121.10078	0.7
122.09653	0.6
123.08039	1.8
124.07543	1.1
125.06051	0.5
127.03878	0.5
128.07039	0.5
129.06984	0.6
129.10202	0.5
130.04973	0.4
130.08563	0.6
133.10083	0.7
134.04459	6.5
134.09679	0.5
135.08043	0.7
135.11665	0.6
136.07539	0.6
137.09583	8.1
140.10684	0.7
141.09048	0.7
142.08612	2.1
145.02850	2.6
145.10075	1.3
146.03200	1.0
147.08025	2.2
149.05931	0.5
151.03886	0.7
155.10686	0.8
158.11737	0.8
159.10199	0.6
161.09483	0.6
163.11079	0.6
164.10684	0.7
165.09094	4.2
177.05437	5.6
178.04947	2.0
178.05882	1.5
179.05264	1.9
182.11670	1.0
183.10057	0.8
183.13806	1.0
185.11673	0.8
191.10701	0.5
206.04443	5.7
207.04781	3.1
208.13245	0.8
209.11716	0.6
212.16441	1.0
219.13626	0.5
230.17438	0.5
234.11243	3.9
236.20177	0.7
236.61000	0.4
238.18019	1.6
252.12228	3.5
254.21146	1.8
256.18973	1.9
280.11975	1.1
280.19067	4.4
298.12534	0.7
298.20169	2.2
316.21060	0.8
395.21454	0.6
413.22736	8.2
431.23819	100.0
432.24213	2.0
527.29669	2.3
545.24286	2.0
545.31427	8.3
546.23944	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67820	0.6
55.05496	0.8
59.04966	0.8
67.05486	1.5
69.03415	1.6
69.07053	0.7
69.64926	4.1
70.06567	5.0
72.08128	0.9
75.04471	3.5
79.05468	2.4
81.03404	1.4
81.07034	2.6
83.54359	0.6
84.08124	3.2
85.02878	1.6
86.06052	0.7
86.09682	2.4
87.04427	0.6
91.05515	1.2
93.07014	1.7
95.04969	0.9
95.08588	3.1
97.02862	0.9
98.06040	1.5
99.04458	0.9
103.05431	1.2
105.07007	18.0
107.08556	1.4
108.08894	0.6
109.02852	1.2
109.06418	0.6
109.10106	0.7
117.05717	1.5
117.07030	0.6
119.08576	2.9
120.08102	0.6
121.10154	0.9
123.08050	3.3
124.07568	0.5
127.03949	0.9
128.07045	0.8
130.06535	1.3
130.08624	4.6
131.07288	13.8
132.08072	8.1
133.07564	1.6
133.10036	0.9
134.09586	0.8
136.07541	0.7
137.05936	1.2
140.24687	0.6
141.09109	0.8
144.08087	1.8
145.08849	5.1
145.09904	0.9
146.09616	98.1
147.04373	0.8
147.09969	0.7
151.07498	0.6
158.09619	12.9
159.10376	1.5
160.07578	3.0
160.11186	37.9
161.11461	0.8
162.09146	1.3
162.12747	0.8
164.10641	0.9
167.07027	0.7
172.07523	1.3
175.09930	0.6
176.07002	1.6
178.04933	2.9
178.16673	1.0
184.07423	1.0
186.09085	1.0
187.09897	1.2
188.10669	6.1
190.12210	4.2
191.09441	0.6
192.10141	10.4
192.13786	3.5
206.04433	2.3
218.11722	6.0
220.13316	2.0
236.12762	1.4
246.11237	2.3
248.12804	2.3
250.14333	12.5
264.12250	7.6
267.11255	0.7
278.13812	100.0
279.14075	1.4
296.11807	1.1
296.14880	16.0
313.11731	2.8
398.08426	0.9
403.14813	0.9
484.20847	1.0
491.30380	0.6
512.20386	3.3
526.16980	0.7
544.22797	6.2
544.30536	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.7
59.04990	0.8
65.94514	0.5
67.05486	2.0
69.03408	1.3
69.07056	1.7
69.43293	1.3
69.43705	3.3
70.06584	4.2
71.04975	1.0
72.08128	1.2
75.04463	3.3
79.05482	2.9
81.03395	1.4
81.07033	3.1
84.04491	1.1
84.08117	2.3
84.54454	0.4
85.02872	1.3
86.06065	1.0
86.09705	3.4
87.00810	0.6
88.02196	0.7
91.05476	1.7
93.07017	2.0
95.04955	1.3
95.08593	3.6
97.02869	1.1
98.06013	1.6
99.04468	0.6
99.08067	0.6
103.03934	1.2
103.05446	1.2
104.10733	1.0
105.07013	16.8
107.08565	1.3
109.02867	1.1
109.10159	1.7
117.05708	0.7
119.04957	0.5
119.08559	2.3
120.08085	1.1
121.02835	1.1
121.06509	0.7
121.10116	1.5
123.08057	3.4
124.07526	0.9
127.03961	1.1
128.07111	0.9
129.10257	0.6
130.06506	1.0
130.08617	4.8
131.04964	0.9
131.07286	14.6
132.08064	8.2
133.07591	1.2
134.09592	0.7
136.07553	0.5
136.61980	0.6
137.05939	0.9
138.09204	0.6
141.09100	0.8
144.08014	1.5
145.08873	5.4
145.09987	1.2
146.09624	97.9
147.04341	0.6
147.09985	0.8
148.11176	0.9
149.09679	0.6
157.07417	0.5
158.09628	9.0
159.10402	1.2
160.07568	2.5
160.11192	35.5
161.08382	1.0
161.09634	0.6
162.09068	1.2
164.10667	0.8
172.07570	1.5
174.09140	0.7
175.03810	0.6
175.09921	0.8
176.10512	0.6
177.05380	0.5
178.04912	0.8
184.07314	0.8
186.09148	0.6
187.09744	0.7
188.10674	5.3
190.12225	4.6
192.10158	9.0
192.13759	3.4
206.04440	1.5
212.16432	0.7
218.11696	6.4
220.13292	2.5
225.10243	0.5
236.12772	1.6
246.11247	2.3
248.12747	2.0
250.14331	11.4
264.12286	7.3
267.11206	0.6
278.13834	100.0
279.14246	1.1
295.10712	0.7
296.14874	16.3
306.11542	0.6
313.11761	1.8
321.10992	0.7
363.59851	0.5
391.48621	0.6
398.08633	0.9
403.15103	0.9
431.39926	0.6
484.20862	0.6
512.20001	2.6
544.23364	4.3
544.30591	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03461	0.9
55.04225	0.5
57.03445	0.4
60.65660	0.3
69.22361	1.9
69.22779	1.0
69.34595	0.3
70.06580	100.0
71.04982	2.2
81.03411	0.4
81.05697	0.3
85.02890	3.1
86.09663	0.3
87.84525	0.3
93.03402	0.4
95.04900	0.3
98.21523	0.6
107.04940	0.3
115.87720	0.3
123.04459	0.5
127.03889	0.3
129.05428	0.4
137.02318	15.0
137.03366	0.9
145.02829	0.3
147.04370	0.6
163.03860	2.7
175.03871	2.9
179.03412	0.4
184.89767	0.3
191.03348	3.7
203.03427	0.4
211.07541	0.7
221.05974	0.6
235.03915	0.4
239.06970	1.3
249.05524	0.5
257.08063	0.5
267.06494	1.0
269.22052	0.3
271.05844	0.3
273.07581	0.3
277.04846	0.4
285.07419	0.8
295.05972	1.1
313.07007	5.3
323.05481	0.5
326.04160	0.7
329.06500	13.4
341.06494	53.0
342.06879	0.6
398.12265	56.1
399.12625	0.9
475.12219	0.3
487.12012	0.5
526.17615	0.8
544.18048	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	543.4248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.1
55.01865	2.5
55.05231	1.8
55.05504	39.4
57.03427	17.6
57.07070	45.8
59.04971	2.0
65.03957	1.5
67.05498	45.6
69.06679	3.2
69.07059	59.9
69.23439	1.4
69.52794	11.4
71.04974	3.0
71.08239	1.7
71.08626	31.9
75.04475	5.7
76.00368	1.4
79.05487	18.5
81.07043	67.6
83.04997	2.7
83.08610	42.4
85.06532	2.3
85.10171	17.0
87.08119	1.8
89.06026	2.7
91.05476	5.7
93.07031	26.2
95.04991	2.7
95.08592	70.5
97.06515	13.1
97.10160	34.1
98.21423	3.4
99.08128	2.0
100.36839	1.3
101.05998	1.7
105.07035	5.1
107.08576	22.1
109.10142	29.6
111.08071	7.2
111.11691	9.5
113.06036	2.4
115.07557	1.9
119.08543	3.1
121.10131	25.9
123.11700	14.7
125.09599	7.0
125.13280	2.6
130.08514	1.4
131.07060	3.7
133.10149	2.2
135.11682	17.9
137.13258	6.5
139.11191	6.1
147.11696	2.1
149.13234	13.0
153.12758	4.9
157.12268	1.6
163.11249	2.5
163.14813	6.6
167.14398	1.9
177.11343	1.4
177.16420	2.7
181.15883	3.2
185.15553	1.7
191.18042	2.1
209.18730	1.7
213.18459	1.4
219.21034	2.0
227.12880	3.9
237.22217	1.7
251.23651	1.5
261.25943	2.0
300.19540	1.4
311.29367	1.4
331.33621	4.4
341.31772	2.1
349.34674	11.3
359.33063	9.2
377.34094	30.4
395.35410	2.7
413.36234	64.4
428.87619	1.5
451.37766	51.3
469.38831	60.2
508.36938	1.9
525.41443	20.4
543.42560	100.0
543.55487	2.6
544.42590	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.4
55.01855	0.7
55.05493	0.3
57.03426	0.3
57.07055	0.4
61.02905	0.3
67.05482	0.1
68.99790	0.1
69.03428	1.3
69.07049	0.4
70.04063	100.0
71.04380	0.3
71.04981	0.2
71.55246	0.2
73.02897	0.3
79.05446	0.1
81.03398	1.5
81.07054	0.2
83.08609	0.4
84.04429	0.1
84.08118	0.1
85.02888	3.8
87.00803	1.5
89.06036	0.3
91.03985	0.2
93.07014	0.2
95.04942	0.2
95.08591	0.2
97.02872	1.8
99.04445	0.6
99.08066	0.9
105.01839	1.6
106.55970	0.1
109.02856	2.0
115.03898	0.5
117.01841	0.2
127.03894	2.5
127.04784	0.2
145.04950	1.3
159.02876	0.7
161.04512	0.2
183.10179	0.4
186.11215	0.1
189.03925	0.2
195.10031	0.1
211.08951	0.2
213.03986	0.2
225.11276	0.5
227.08247	0.6
231.04941	0.6
263.32648	0.1
265.05435	0.1
311.10822	0.1
329.12347	0.3
348.75793	0.1
358.58838	0.1
376.11343	0.1
435.94589	0.1
543.39026	0.2
544.30859	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	543.4248
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72306	0.8
53.03939	1.9
54.99764	0.8
55.01868	1.7
55.05505	48.6
57.03431	28.7
57.07069	63.0
58.07404	1.0
59.04989	3.2
67.05495	57.3
69.07059	73.8
71.04991	3.4
71.08624	48.2
73.06545	1.7
75.04474	9.7
79.05483	21.8
81.07043	77.0
83.04978	5.7
83.08607	57.5
85.06541	4.4
85.10168	25.5
87.04446	1.4
89.06018	2.4
91.05486	4.4
93.07027	31.1
95.04992	1.1
95.08593	81.8
97.06518	15.6
97.10152	38.8
97.10781	1.7
99.08096	2.9
99.11729	2.9
101.06006	1.5
105.07016	2.2
107.08572	21.0
109.10143	38.0
111.08067	11.0
111.11700	14.6
111.12427	1.1
113.06007	3.7
113.09628	1.1
113.13280	1.4
115.07567	3.2
119.08557	2.7
121.10129	32.6
123.11698	17.2
125.09621	7.4
125.13265	3.9
129.09128	2.2
131.07033	9.0
131.08540	1.2
133.08559	1.2
133.10135	2.3
135.11673	26.6
137.13226	5.8
139.11166	6.5
143.10674	1.3
145.10101	1.3
147.11659	1.5
149.13242	14.4
151.14830	2.8
153.12753	5.0
157.12277	1.2
161.13280	1.1
163.14822	8.5
165.16420	0.9
167.14278	4.6
169.19556	0.9
171.13826	2.2
177.16371	4.7
181.15918	2.9
185.15363	2.2
191.17949	4.1
195.17471	2.7
199.16988	1.0
205.19574	2.3
209.19052	2.0
213.18530	2.1
214.22499	1.1
219.21022	1.9
223.20526	2.0
227.20097	2.4
229.59123	0.9
233.22694	1.9
237.22087	1.8
240.28604	1.1
251.23576	1.9
265.25317	1.3
277.25418	1.7
279.26993	1.1
331.33560	5.2
341.32098	2.8
349.34641	13.6
359.33026	11.3
377.34079	46.8
395.35376	2.4
413.36185	75.7
414.36676	1.1
451.37747	56.0
456.37643	1.1
469.38812	82.9
470.39383	1.6
476.24838	1.1
525.41467	39.3
526.42261	1.2
543.42535	100.0
544.43054	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	543.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	4.5
55.14676	1.3
57.03419	3.0
57.07066	96.7
58.04213	9.0
59.04706	2.5
59.04990	35.0
60.04489	1.6
67.05484	6.0
69.07058	6.7
69.85130	6.7
71.04977	2.2
71.08620	100.0
72.05769	17.2
73.02918	7.1
73.06541	17.4
79.05477	2.3
81.07043	8.6
82.07809	3.1
83.04979	2.1
83.08599	6.0
85.10167	91.8
86.07312	1.7
87.04456	23.6
87.08054	1.3
88.05244	2.9
88.07587	2.1
88.79224	1.4
89.06016	37.8
90.01902	49.7
91.05444	1.5
93.07053	1.6
95.04942	1.3
95.08590	4.4
96.09389	2.7
97.10153	5.4
98.02741	1.3
99.11720	10.8
101.05992	3.3
102.06785	3.3
103.07572	15.1
107.07028	2.0
107.08521	2.3
109.10126	1.9
111.11687	3.3
116.08338	5.4
117.09133	10.3
130.08633	1.7
131.07010	4.0
133.08591	17.7
135.10101	1.4
138.14009	5.8
139.14677	1.6
140.15506	1.5
141.16365	13.7
147.10118	3.4
155.17853	2.1
165.11194	4.1
169.15915	7.3
171.67070	1.5
177.11183	7.1
178.07056	7.8
185.19069	2.6
193.83792	1.3
195.12218	3.0
198.19769	5.5
199.20529	13.1
208.15350	1.6
221.13824	1.7
222.09674	15.8
222.16969	4.9
223.15318	5.6
224.14873	2.4
241.15108	2.6
242.22435	1.6
243.23143	5.5
252.18062	4.6
253.16451	5.1
266.12329	2.9
268.17606	2.0
286.25174	1.4
305.23206	1.5
310.15170	1.5
310.22089	2.6
328.15881	12.6
353.85846	1.4
372.18610	2.5
392.33563	16.6
408.33191	2.6
410.30966	1.5
452.35608	2.1
485.65182	1.5
506.97391	1.4
542.53406	1.6
543.19092	2.6
543.38525	11.5
543.54688	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	543.3879
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75386	2.0
53.03924	3.3
55.01860	3.7
55.05497	41.4
57.03429	22.5
57.07068	50.7
59.04980	6.3
67.05493	52.7
68.99770	7.3
69.03411	4.1
69.07054	60.3
71.04952	6.3
71.08618	40.9
75.04456	2.4
79.05472	24.2
81.03378	6.2
81.07037	84.4
83.04947	7.8
83.08606	48.5
83.09082	1.7
85.06525	3.7
85.10168	28.3
87.04456	11.3
89.06017	23.3
91.05470	13.4
93.06463	3.0
93.07027	33.4
95.04955	3.1
95.08588	72.7
97.06505	16.6
97.10149	35.4
99.08054	2.4
105.07014	11.1
107.04865	2.7
107.07034	2.5
107.08562	23.7
109.06499	6.0
109.10143	37.4
111.04420	4.6
111.08078	9.7
111.11685	9.5
113.05972	4.5
117.05499	21.3
117.06982	2.6
119.08566	9.0
121.10139	30.5
123.08033	4.1
123.11703	13.1
125.05954	8.0
125.09592	6.3
130.08604	3.2
131.07019	2.5
131.08521	5.9
133.08578	13.7
133.10092	7.6
135.08034	2.5
135.11668	22.3
137.09575	2.6
137.13245	4.7
139.07550	4.6
139.11160	5.2
143.08461	3.4
145.10065	5.8
147.11636	4.7
149.09636	2.5
149.13242	9.0
151.14828	2.2
153.12773	2.4
159.11629	5.6
161.13196	2.4
163.11139	2.5
163.14796	4.9
177.11211	5.2
177.16341	3.9
191.17932	2.7
195.17371	2.3
229.41187	2.6
263.40515	2.3
275.20059	3.5
289.28802	4.0
307.29947	3.7
317.28525	2.8
331.30029	3.3
335.29312	9.0
349.30905	13.3
351.32416	4.3
353.30145	3.0
359.29388	2.6
371.31479	32.4
377.26108	3.5
377.30447	35.6
407.35080	3.2
409.33203	9.7
425.36246	24.3
427.34161	11.3
451.34085	100.0
452.34702	3.5
469.35220	30.7
525.37799	65.9
526.37695	4.1
543.38440	49.9
544.38440	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	543.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.5
55.01859	3.2
55.05504	8.9
56.05018	2.2
57.03410	1.9
57.07061	1.5
58.99574	5.9
65.03917	1.7
67.05496	18.9
68.15465	1.2
69.03405	3.9
69.07057	13.9
69.31541	1.0
69.41279	10.3
70.04074	6.4
70.06568	4.1
71.04966	2.5
76.02213	13.8
76.17404	1.0
79.05052	1.7
79.05477	14.9
79.05902	1.8
81.03403	1.8
81.07044	25.8
83.04981	8.0
83.08604	4.9
84.04488	56.9
84.08118	2.4
85.02897	4.5
85.06525	1.9
86.09696	1.5
86.99036	3.9
88.03945	1.7
91.05463	12.6
93.07033	20.9
95.04944	7.0
95.08591	16.8
97.02876	2.5
97.06496	4.8
97.10130	2.3
98.20690	2.4
99.08100	1.4
102.05514	3.4
105.00072	6.5
105.01828	1.7
105.07005	25.8
107.04922	5.0
107.08576	13.7
109.06480	9.1
109.10129	7.7
111.04366	1.4
111.08068	2.7
115.05489	1.6
117.06989	6.9
119.08560	13.9
121.06503	9.1
121.10130	11.0
122.02704	69.5
123.08064	5.9
123.11687	3.7
125.09614	3.1
127.03889	3.9
128.06157	1.8
129.07025	2.2
130.04973	25.3
131.08553	15.5
133.06482	3.6
133.10110	14.2
135.08014	5.8
135.11655	5.9
137.09579	2.8
142.03198	11.2
143.08566	4.1
144.09325	2.1
145.06441	2.7
145.10101	15.8
147.07996	3.3
147.11671	12.6
149.09587	6.4
149.13222	2.9
151.11130	5.4
157.10080	5.3
159.08038	2.9
159.11650	9.2
161.09602	5.6
161.13263	5.2
163.11188	6.2
167.14420	1.1
169.10088	1.9
170.02646	1.4
171.11620	3.2
173.09627	3.6
173.13231	5.5
175.11183	4.7
177.12718	3.5
183.11629	4.0
185.13306	1.7
187.05377	1.4
187.11145	2.4
187.14850	1.6
188.03734	7.1
191.14287	3.4
197.13264	2.3
201.12701	4.0
205.12183	1.3
205.19533	1.2
207.13696	5.7
215.17876	2.3
219.13794	3.5
229.19478	2.6
233.05946	3.4
233.19080	1.5
234.04272	16.8
239.17868	2.3
247.20520	2.7
251.06920	100.0
257.18973	10.6
273.18494	2.6
275.20010	89.6
276.20313	1.6
291.19766	1.7
293.21039	81.6
368.22375	2.2
376.24857	1.6
414.22992	2.1
434.23441	1.4
525.26447	3.5
543.27197	62.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.3
56.13566	0.9
57.07064	91.6
59.04990	20.1
69.07061	1.5
71.08618	86.9
73.06544	3.8
75.87317	0.9
81.34302	1.0
83.08605	2.2
85.10167	79.8
87.04444	7.2
89.06014	100.0
97.10172	0.9
97.15521	0.9
98.20951	4.8
99.11721	9.2
100.37012	1.0
103.07563	7.2
107.07054	2.5
111.11685	1.2
117.09111	3.0
120.31829	0.9
130.08629	2.0
131.07030	5.3
133.08580	86.4
134.08849	1.2
141.16356	10.7
152.72739	1.1
175.09648	3.5
177.11179	39.6
185.75497	1.0
199.20525	14.3
219.12228	1.6
221.13799	12.7
223.15396	1.5
239.14899	3.8
243.23119	7.2
265.16382	2.0
283.17453	4.6
309.18948	4.0
327.20062	43.5
367.23172	6.6
385.24213	3.1
418.53897	1.1
525.39844	13.2
542.42560	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	543.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19458	0.3
53.03938	0.6
53.05586	0.3
55.01854	0.5
55.05509	1.7
55.46853	0.3
57.03408	0.5
57.07066	21.1
57.51418	0.3
65.03924	0.8
65.78938	0.3
67.05504	0.9
68.26814	0.3
69.03414	1.5
69.07051	0.7
69.45991	2.6
70.06570	0.6
73.02912	0.5
73.06533	1.3
79.05470	0.6
81.03410	1.5
81.07030	1.4
83.08600	0.9
84.04459	0.3
84.08105	0.4
85.02898	3.4
85.87662	0.3
87.00804	1.1
91.05454	0.7
91.07608	0.4
93.03351	0.3
93.07013	1.6
95.04967	0.5
95.08568	0.9
96.63663	0.3
97.02875	1.9
97.10151	0.4
99.04408	0.6
105.01853	0.7
105.07016	0.8
107.08573	0.6
109.02856	1.4
109.06477	0.4
109.10114	0.8
111.04415	0.3
117.06999	0.3
119.08546	1.0
121.02865	2.8
121.03772	0.4
121.10121	0.6
123.11778	0.5
125.09603	0.3
127.03891	2.4
131.04880	1.1
131.08505	0.4
133.10104	0.8
135.11711	0.4
141.57713	0.3
145.04878	0.4
145.10060	0.4
147.11684	0.5
149.02318	100.0
150.02708	0.5
159.02815	0.7
159.11601	0.4
167.03360	2.7
190.04897	1.4
205.08578	9.1
221.08069	1.8
231.05023	0.3
268.17514	0.3
275.20114	1.0
277.14301	9.5
293.21515	0.4
396.22159	0.5
414.23102	0.5
543.27563	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	17.6
55.01865	9.8
55.05498	36.4
57.03426	14.1
57.07063	61.1
59.04986	34.8
65.03918	5.5
67.05491	91.5
69.03419	41.8
69.07048	38.5
71.04978	10.8
71.08270	6.9
71.08616	67.2
73.02885	5.8
73.06522	4.8
79.05476	85.7
81.03402	70.2
81.07034	100.0
83.04958	10.0
83.08593	21.5
85.02891	27.8
85.06519	7.9
85.10152	45.4
87.04469	12.0
89.06009	87.4
91.05459	57.6
93.07023	86.3
95.04950	14.5
95.08591	87.8
97.02868	33.6
97.06516	10.7
97.10155	11.0
98.21542	8.8
99.04445	7.4
99.11716	6.8
101.09621	10.2
103.03933	5.8
103.07528	8.4
105.07005	63.3
107.04929	11.9
107.07068	5.8
107.08566	58.2
109.02850	21.2
109.06477	7.6
109.10125	31.9
111.04427	12.4
115.05477	5.2
117.07010	35.6
119.08562	58.4
121.06493	9.2
121.10114	53.0
123.08056	8.8
123.11678	15.2
125.09586	7.2
127.03892	16.8
129.05507	5.7
129.06970	19.0
130.08606	11.6
131.08549	37.3
133.06535	5.1
133.08594	57.8
133.10103	34.7
135.08049	6.3
135.11667	41.0
137.09573	5.8
137.13266	5.7
141.06996	8.1
141.16322	6.4
143.08514	17.9
145.10091	45.0
147.08055	12.2
147.11664	32.6
149.09636	6.8
149.13234	18.7
151.11150	4.3
155.08539	10.0
157.10123	15.8
159.08002	6.0
159.11676	32.9
161.09631	4.9
161.13229	16.7
163.11159	12.9
163.14789	7.2
169.10069	7.4
171.11702	19.3
173.13188	15.9
175.09485	4.8
175.11165	8.4
175.14746	8.8
177.11224	27.9
177.12610	5.3
183.11685	12.3
185.13252	12.7
187.11148	6.9
187.14825	8.1
195.97232	4.4
197.13286	9.7
199.14795	5.5
201.16322	6.6
213.16435	6.5
221.13673	4.9
227.10799	5.0
227.12799	17.2
229.21683	10.6
239.14792	10.9
259.20526	5.7
261.22064	13.7
261.41357	4.1
271.20593	6.8
277.21387	6.4
283.17441	9.1
283.26212	4.5
285.22086	6.6
289.21530	8.3
291.23163	6.3
303.23114	13.5
315.23212	11.7
323.23883	6.0
327.20032	14.4
327.26883	5.8
341.24591	7.3
345.27884	11.4
351.23199	6.2
369.23987	30.5
387.25455	30.7
405.26147	29.9
412.17273	4.9
423.27332	6.8
448.41150	4.6
489.32095	8.5
525.39777	7.8
542.42590	5.7
543.20850	5.4
543.36841	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	541.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30049	1.0
55.05496	4.7
57.03420	3.8
57.07062	100.0
58.04198	3.1
58.07396	2.3
59.04700	2.3
59.04987	41.5
66.10069	1.1
67.05495	2.2
69.07050	5.5
70.06580	8.6
71.06911	1.5
71.08615	70.4
71.54156	2.0
72.05747	1.5
72.08937	1.2
73.02896	3.3
78.70428	1.0
80.60577	1.0
81.07031	4.9
83.08591	4.9
85.10162	63.9
86.10507	1.9
87.04450	4.7
87.08095	1.3
88.07609	10.1
89.06016	5.8
89.07993	1.3
90.01901	13.0
91.05489	1.5
93.07018	1.6
95.08567	5.4
97.10161	4.9
99.08130	1.1
99.11707	11.3
100.07571	1.3
100.08871	1.1
101.06023	1.3
101.09634	4.8
102.09147	7.1
103.09523	1.5
107.08553	1.4
109.10141	2.4
111.11723	2.0
113.13275	5.2
115.07524	2.3
117.09107	16.7
119.08590	1.4
121.10112	2.1
133.08568	2.8
134.08929	1.2
138.79802	1.1
145.10033	1.2
155.17932	9.1
173.13223	1.0
178.07053	2.1
183.17375	1.6
207.15878	1.5
213.22083	16.1
236.11345	1.6
236.18669	1.4
237.16901	2.2
254.24844	2.5
256.26303	16.1
257.26654	16.4
270.25269	1.1
271.26242	16.2
274.27255	2.0
275.27814	1.6
283.26306	3.2
284.26605	3.3
284.29547	2.6
285.29846	2.2
311.29343	12.5
312.29691	16.5
327.20065	1.4
329.30438	1.1
379.32773	1.4
390.36151	1.5
540.52899	1.5
541.39777	3.6
541.53754	85.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
55.01869	1.3
55.05518	0.4
57.03415	0.7
65.03930	0.9
65.15500	0.3
67.05495	1.1
69.03395	0.4
70.06582	2.9
70.11917	0.6
70.12329	1.6
71.04993	0.6
72.08131	0.8
74.78007	0.3
75.04487	1.1
75.56195	0.3
78.04699	0.5
79.05473	4.3
81.03403	0.4
81.07041	1.1
84.08147	1.5
85.02895	1.8
85.06538	0.5
86.09705	1.4
86.88388	0.4
88.02187	0.5
91.05460	6.2
93.03403	1.5
93.07033	3.4
95.04932	2.1
95.08572	0.6
97.06516	1.1
102.85519	0.4
103.05446	4.6
105.04514	0.4
105.07010	17.5
106.04144	3.5
107.04953	4.3
108.05708	1.1
109.06525	2.1
109.07156	0.4
115.05447	0.9
118.04128	4.5
119.04902	2.6
120.05694	0.8
121.06475	6.9
121.10167	1.2
122.03653	0.5
122.05983	0.5
122.07283	1.4
123.04469	0.8
123.08047	2.0
124.05180	1.1
125.05981	1.5
128.10669	0.5
128.43478	0.4
129.10271	0.5
130.08664	0.5
131.04901	2.1
132.05705	0.6
133.05458	0.9
133.06470	16.8
134.03639	0.8
134.07240	0.9
135.04413	2.3
135.08032	3.9
136.05244	0.5
137.05956	6.7
137.09599	0.5
138.09100	0.5
139.07547	0.6
145.02824	0.9
146.03578	0.8
147.04369	1.3
148.05142	2.0
149.05956	10.3
149.09653	0.6
150.05534	0.7
150.06734	10.5
151.07503	4.1
153.09050	2.1
154.04971	0.7
161.05922	4.4
162.01297	0.8
162.09050	0.7
163.03859	1.5
163.07527	1.0
165.09082	12.4
167.07002	9.8
169.08595	0.6
175.07455	0.9
177.03975	0.3
177.05431	7.5
178.06181	1.3
179.01564	0.6
179.05550	0.5
179.07021	1.7
180.10045	0.6
181.08571	4.6
190.00829	0.7
191.07050	2.0
193.08569	54.5
194.08954	0.7
195.06541	1.1
197.11732	0.8
203.07002	2.4
208.09683	1.0
209.08051	37.4
210.08499	0.8
211.09612	100.0
212.09947	0.9
219.02034	0.5
219.10054	0.7
223.04234	7.4
265.09473	0.5
303.04810	1.1
303.09879	0.6
311.10141	0.5
312.08878	1.1
327.12292	0.6
334.06174	1.1
334.56131	0.4
345.12952	0.5
371.14798	0.8
377.01501	0.8
385.14011	0.4
391.17831	0.4
395.02542	0.4
403.17249	0.9
510.18423	1.0
542.20953	1.4
542.33527	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.2
57.07060	0.5
71.08603	0.4
79.05473	0.2
81.07040	0.3
85.10165	0.4
87.59434	0.2
95.08591	0.3
98.20702	0.4
105.07054	0.2
107.08620	0.2
107.85787	0.2
109.10162	0.2
127.03813	0.2
319.00769	0.2
340.65604	0.2
455.39325	0.2
467.32675	0.3
541.37006	100.0
542.37213	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	541.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42415	0.2
55.05499	0.8
57.07058	0.8
67.05489	0.4
69.03429	0.2
69.07049	0.4
70.16434	0.2
70.84078	0.4
71.08613	0.6
75.13097	0.2
75.82857	0.2
79.05486	0.4
81.03414	0.3
81.07048	0.6
81.14536	0.2
83.08606	1.4
83.41617	0.2
84.08135	0.2
85.02865	0.2
85.10164	0.2
88.07596	0.2
89.06016	0.3
91.05472	0.3
93.07036	0.6
95.08588	0.5
101.09647	1.0
105.07008	0.2
109.10118	0.2
117.67724	0.2
119.08581	0.2
119.10666	0.3
131.08571	0.3
213.18640	0.2
259.70981	0.3
467.33041	0.2
540.53375	0.3
541.37018	100.0
542.37512	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	541.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.2
55.01851	1.7
55.05504	5.2
56.05018	1.0
57.03417	3.8
57.07057	1.2
59.04991	2.1
61.02907	2.0
67.05499	5.6
69.03415	6.4
69.07059	3.5
70.06575	4.8
71.01327	1.8
71.04960	2.7
71.53959	1.0
72.08128	3.0
73.02908	8.6
79.05471	2.5
81.03393	2.0
81.07047	5.4
82.06557	1.4
83.04961	2.6
83.08596	4.0
84.04511	1.3
84.08146	4.0
85.02412	1.3
85.02887	12.9
85.06512	3.3
86.09689	2.0
87.04423	1.5
88.02185	1.1
91.05459	2.2
93.07019	7.3
95.04948	25.9
95.08595	11.8
97.02872	8.9
97.06515	1.6
99.04421	3.8
99.08077	47.7
100.07594	1.6
100.08378	0.8
101.05974	2.3
103.03971	0.7
103.05451	0.7
105.07004	2.6
107.08575	7.8
109.02882	1.5
109.06491	3.3
109.10137	20.6
110.06015	0.8
110.07195	0.9
111.08051	2.2
113.05983	0.8
113.09632	0.8
115.03903	5.9
117.09103	1.5
119.04931	0.8
119.08559	7.8
120.08119	1.3
121.06512	0.9
121.10147	4.7
122.05952	0.9
123.08032	2.4
123.11668	2.3
127.03880	4.3
128.07095	0.9
129.10201	1.5
130.08601	1.9
133.04936	4.8
133.10114	11.7
135.11658	14.2
136.06181	1.1
136.07545	1.6
137.05940	2.1
137.09593	18.9
140.06996	1.1
144.08067	1.4
145.02834	1.5
145.04935	5.9
145.05934	0.9
146.08093	3.8
147.04338	2.4
147.08327	0.9
147.11653	1.1
148.98907	0.9
149.13228	1.8
151.11177	0.9
151.14845	0.9
153.09094	0.8
153.12685	3.0
155.10635	16.2
155.11868	1.2
163.05977	1.7
164.06975	1.9
165.16316	0.9
167.07031	1.4
168.06540	1.4
175.14775	12.3
177.05443	3.6
185.72113	0.7
193.15851	34.4
211.16890	100.0
212.17241	1.7
229.17932	26.3
230.18352	1.0
241.06943	1.2
247.19034	1.3
315.19193	1.0
325.11777	0.9
346.99643	0.7
373.22110	2.1
505.26392	3.8
509.13101	1.0
523.19324	0.9
541.20190	2.8
557.24335	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.1
55.01852	5.8
55.05495	12.0
55.77935	1.2
56.86032	1.5
57.03422	4.9
57.07060	4.0
59.04985	4.0
61.02907	2.5
67.05486	15.1
69.03413	18.2
69.07056	7.1
69.79183	7.7
70.06586	4.2
71.04977	4.9
71.08570	1.5
73.01231	1.2
73.02904	3.9
79.05478	12.4
81.03399	11.9
81.07041	29.6
83.04957	13.8
83.08603	5.3
84.04489	1.8
84.08106	1.6
84.65714	1.4
85.02885	27.1
85.06527	20.6
87.00813	10.5
91.05447	11.2
93.07023	24.9
95.04952	10.6
95.08591	23.9
97.02872	9.9
97.06522	6.9
97.10162	3.2
98.21492	1.6
99.04442	5.9
99.08075	6.4
105.01854	6.4
105.07013	15.7
107.04917	3.8
107.08573	20.9
109.02860	8.7
109.06510	8.2
109.10131	17.3
111.04436	1.6
111.08055	17.4
113.06003	3.5
113.09637	6.2
117.06980	5.0
119.04923	2.5
119.08553	22.1
121.06482	8.3
121.09301	2.7
121.10123	30.6
123.04427	8.9
123.08044	4.0
123.11674	14.6
125.06007	1.8
125.09605	19.1
127.03886	18.4
127.07539	2.3
130.07687	1.4
131.04898	2.2
131.08560	11.5
133.10100	15.0
135.08025	9.2
135.11664	11.8
137.05936	4.3
137.09566	15.6
137.13254	2.1
139.07498	1.7
139.11153	13.7
141.09053	1.8
143.08563	6.0
145.04926	3.6
145.06480	2.4
145.10107	16.7
147.04378	2.2
147.08032	3.7
147.11671	9.2
149.05931	2.9
149.09584	20.4
149.13254	3.8
150.05402	1.9
151.07573	1.9
151.11180	5.8
153.05528	1.5
153.09088	25.4
155.08475	1.5
155.10628	3.5
156.09322	1.4
157.10094	7.3
159.02831	4.3
159.08052	4.7
159.11678	10.6
161.09612	6.3
161.13226	4.9
162.07549	1.4
163.11136	9.4
163.14754	3.6
165.09079	3.4
165.12772	2.5
167.07042	4.1
167.10675	2.7
169.10156	3.5
169.15926	2.7
171.11702	5.3
173.09631	4.4
173.13239	23.9
175.11150	3.9
175.14783	4.0
177.05391	1.6
177.12733	3.9
179.10643	5.9
181.05064	1.8
181.12202	1.7
183.11676	3.1
185.13252	2.9
187.11124	3.7
187.14757	13.6
189.12715	7.0
189.16335	2.9
191.14259	11.1
193.08611	2.7
197.13199	2.0
199.14735	4.9
201.12708	8.9
201.16490	1.6
203.14281	3.9
205.12144	2.7
205.15805	2.8
207.06415	1.6
207.13788	3.5
213.12883	1.7
215.14229	4.7
215.17880	2.6
217.15877	7.6
219.13797	5.5
229.19518	5.5
231.04922	2.5
231.13838	1.6
233.15292	3.4
239.17902	3.7
247.20575	5.6
257.15378	1.6
257.16364	1.9
257.18948	17.0
275.20001	100.0
293.21045	69.6
295.10071	1.5
327.13748	2.4
339.04999	3.1
345.65210	1.5
383.22086	2.2
396.10718	3.4
437.23538	1.6
487.22717	2.8
505.24417	2.1
509.20850	2.5
523.25262	3.4
541.13184	2.6
541.20197	2.5
541.28918	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	541.194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13152	0.6
53.03931	1.2
53.79160	0.6
55.01852	2.7
55.05502	7.9
56.69639	0.6
57.07054	1.4
65.64043	0.6
67.05493	5.8
69.03419	3.8
69.07056	19.2
70.06301	1.4
70.06571	2.5
71.04981	3.0
71.08629	0.7
72.08130	1.2
73.02899	0.6
79.05474	5.8
81.03398	2.7
81.07046	21.0
82.07384	0.7
83.04973	0.9
83.08603	8.0
84.08144	4.9
85.02874	2.4
85.06533	5.0
86.09679	0.9
87.00797	1.2
89.06023	0.6
91.05460	4.9
92.05782	0.5
93.06473	0.9
93.07030	14.0
95.04940	2.2
95.08590	28.0
97.02870	5.5
97.06493	1.5
97.10149	4.3
98.06015	0.6
98.20845	1.0
99.04411	1.0
99.08073	28.2
102.05531	1.0
105.01866	2.0
105.07011	5.1
107.08575	33.8
109.02850	2.1
109.06476	1.2
109.10138	10.8
111.08066	9.1
111.11725	1.0
113.09601	1.7
115.07571	0.6
119.04873	0.7
119.08586	3.7
120.08100	1.4
121.06478	1.3
121.10120	51.4
121.56334	0.6
123.08025	1.6
123.11703	4.0
123.89532	0.6
125.09617	6.9
125.13275	0.8
127.03899	4.8
127.11177	1.0
131.08542	1.3
132.08879	0.8
133.06500	1.0
133.10120	2.5
135.08121	0.8
135.11670	12.1
136.07556	1.2
137.05928	2.3
137.09532	0.8
137.13239	6.9
139.11162	2.3
140.07018	2.2
143.08495	0.8
145.04900	1.0
147.04300	0.9
147.07936	0.6
147.11646	1.4
149.13268	5.5
151.11201	0.7
152.07037	0.7
153.12651	1.0
154.06407	0.6
154.08582	1.6
159.08034	0.9
159.11589	0.8
161.05954	0.7
161.13293	0.9
167.07047	2.0
174.06665	0.7
175.07280	0.7
177.05486	1.0
177.16356	100.0
178.16600	0.7
189.09073	1.7
190.09534	0.9
191.07025	1.0
195.17404	25.9
208.09531	1.2
208.13033	0.9
209.08018	1.8
210.08746	1.1
212.16418	2.3
213.18452	39.8
219.10118	6.6
220.10445	5.8
221.19193	0.7
231.04938	1.2
237.09984	0.6
238.10628	1.2
239.11664	0.7
239.20184	0.9
252.12521	0.7
253.09612	0.7
265.09775	1.0
266.09958	1.0
275.20016	1.8
279.11060	0.9
280.11807	1.0
295.10565	0.9
296.11270	0.7
296.14706	0.9
297.12155	0.8
298.12653	1.0
307.26154	2.8
310.12860	0.6
312.10706	1.2
312.14148	0.9
313.11383	1.0
325.11780	1.4
325.27222	1.3
326.12204	1.5
327.13156	2.7
328.13651	4.1
329.14563	1.3
337.11584	0.9
339.13342	3.7
340.13708	5.5
343.28323	0.9
353.11160	1.0
354.11548	1.0
355.12369	0.8
367.12717	1.3
368.13174	3.5
373.19583	1.8
386.14127	0.9
460.63403	0.7
461.35760	2.1
468.20941	1.5
481.21390	1.2
508.20639	1.7
509.21069	36.0
527.21539	1.0
541.23694	13.2
541.30804	1.9
542.21295	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.4461
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25336	0.8
55.05507	3.7
57.03431	2.6
57.07064	98.3
58.78621	0.7
59.04990	56.4
67.05497	3.9
69.07058	4.5
70.06574	6.7
71.08618	100.0
73.02897	0.9
79.05480	4.2
81.07038	4.0
81.98871	0.8
83.04984	0.8
83.08603	4.3
85.10167	89.6
87.04436	1.1
87.08106	1.4
88.07610	9.4
88.70037	0.7
89.06013	17.5
91.05479	2.0
93.07005	3.5
95.04982	1.1
95.08586	3.2
97.10172	2.9
98.20761	1.3
99.11710	11.2
101.06000	1.4
101.09637	5.7
102.09174	6.7
103.07577	6.0
105.07016	2.1
107.08579	1.2
109.10161	1.6
111.11734	0.9
117.09117	15.9
121.10109	1.4
130.08659	0.8
133.08583	13.7
141.16347	14.1
141.17374	1.2
147.10226	1.0
147.11642	1.3
151.09641	4.4
158.11758	1.2
161.11789	1.4
175.13248	1.8
177.11153	0.8
191.12733	6.7
195.12254	0.8
199.20535	33.7
207.13750	1.4
209.13849	4.7
213.18526	0.9
213.22214	1.1
230.87323	0.8
240.23256	2.3
248.65916	0.9
249.16930	2.8
256.26294	23.0
257.24707	41.6
267.18027	2.7
271.26276	0.8
274.27255	1.8
283.26352	4.4
284.29303	4.4
311.29355	21.6
315.28992	3.1
325.22064	0.9
433.93359	0.7
507.20139	0.9
523.41895	4.1
540.45001	4.2
540.53357	55.8
541.38770	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	540.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.4
57.03422	1.7
57.07067	100.0
59.04993	26.6
65.97729	0.6
67.05492	1.9
69.07048	3.4
70.06582	7.6
71.08621	64.5
71.23721	1.5
73.02906	0.8
73.06547	0.9
74.06095	0.6
79.85889	0.6
81.07069	1.8
83.08619	2.6
85.10172	56.8
87.04469	2.0
88.07615	10.0
89.06017	36.0
95.08614	1.7
97.10155	3.8
99.11723	13.0
101.05986	0.8
101.09657	4.1
102.09178	7.3
103.07590	1.5
103.31233	0.6
107.07067	1.5
111.11679	0.9
113.13263	4.3
116.07080	1.5
117.09132	9.2
130.08627	1.7
133.08586	17.5
144.61545	0.7
147.10165	2.4
155.17920	10.7
158.02011	0.8
177.11209	12.9
195.12277	6.8
213.22108	24.9
235.15308	3.2
239.14946	0.8
253.16501	5.6
254.24911	0.7
256.26315	23.4
271.26279	25.0
274.27478	2.2
283.26239	4.1
284.29507	5.2
293.19601	1.9
311.20718	2.8
311.29401	21.5
311.32858	1.2
327.20105	10.3
329.30481	1.4
351.23795	0.8
523.42267	3.2
524.95135	0.8
540.45355	2.7
540.53400	66.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	0.9
55.05506	4.1
57.03419	0.7
57.07066	81.0
58.06601	1.2
58.07386	0.7
59.04703	1.2
59.04991	18.3
59.20809	0.6
67.05482	2.7
69.07053	3.9
70.06578	13.2
70.98747	1.3
70.99483	0.7
71.08619	59.1
72.08929	0.9
73.02905	2.7
81.07043	3.2
83.08605	4.8
85.10166	47.0
86.10477	0.6
87.04461	4.9
88.07617	15.6
89.06009	10.0
89.79486	0.7
93.07030	0.7
95.08593	4.0
97.10144	3.3
99.11710	9.4
101.09644	2.0
101.98898	0.8
102.09164	10.8
103.03922	22.2
103.07553	1.6
106.08646	0.7
107.07065	0.7
109.10143	2.1
110.98542	0.6
111.11709	2.1
113.13245	4.2
116.07126	1.5
117.09119	4.5
121.08625	1.7
121.10079	0.9
125.13232	0.7
130.08626	1.2
131.07019	1.6
133.08591	7.4
134.74580	0.6
135.10086	0.7
147.06514	4.4
155.17902	7.6
163.09683	0.8
177.11214	2.3
184.07843	0.6
191.09067	0.7
199.20567	1.3
205.10706	0.8
207.12202	3.9
208.35014	0.6
212.23610	0.8
213.22096	15.4
231.34590	0.7
235.11719	7.6
253.12820	8.1
254.24722	1.2
256.26312	35.8
257.24686	1.5
271.26297	8.7
274.27441	2.7
283.26324	6.4
284.29391	6.3
293.15894	2.4
311.16916	4.2
311.29395	32.6
327.20267	1.6
347.57422	0.7
540.40350	2.8
540.53412	100.0
541.54407	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.3
55.05491	0.2
56.05008	0.3
57.03411	0.8
57.07070	0.2
60.04507	0.3
61.02922	0.3
67.05476	0.5
69.03400	0.6
69.07043	0.9
70.06231	0.2
70.06577	1.9
71.04967	0.4
71.54243	0.3
71.54603	0.3
72.08118	0.5
73.02899	1.1
76.73454	0.2
79.05472	0.5
81.03407	0.4
81.07046	1.2
82.06541	0.3
83.04986	0.3
84.04478	0.4
84.08127	1.0
85.02888	1.3
85.06516	0.5
86.09694	1.3
88.02213	0.4
88.03968	0.3
91.05449	1.5
93.03310	0.2
93.07027	1.0
95.04938	0.6
95.08575	0.7
97.02873	0.4
97.06506	0.4
99.04404	0.3
100.07585	0.2
103.05434	0.6
105.06989	0.6
106.04128	0.4
107.04897	0.4
107.08569	0.5
108.08896	0.2
109.02837	0.4
109.06480	0.4
109.10115	0.6
110.05969	0.2
110.07151	0.6
111.04345	0.2
111.08076	0.2
115.03864	0.3
115.05441	0.5
117.06991	0.5
119.04890	0.6
119.08553	0.5
120.08056	0.6
121.06471	0.6
121.10110	0.6
122.06027	0.5
122.10477	0.3
123.08015	0.2
125.05990	0.2
127.03859	0.5
128.06177	0.5
129.06981	4.4
129.10211	0.4
130.08650	0.3
131.04912	1.0
131.08537	4.8
133.10135	0.4
135.08034	0.2
136.07553	0.3
137.05940	2.2
138.09032	0.2
141.06958	3.7
143.04848	0.3
143.08534	0.4
144.05785	0.4
145.06400	0.7
146.08107	0.6
147.04382	0.4
147.07976	0.4
149.05919	0.9
150.07622	0.2
151.07506	2.4
152.07002	0.3
157.06450	4.3
158.07234	1.7
159.08028	5.3
160.05177	0.6
161.05948	0.7
161.09636	0.4
162.05527	0.3
163.07495	1.0
167.06982	0.9
169.06447	2.7
170.07204	0.9
171.08025	0.4
173.05939	0.5
173.09572	0.4
173.13023	0.2
174.06720	9.9
175.07509	2.9
177.05428	0.5
177.09038	0.4
179.06975	0.2
181.08542	0.5
186.06720	2.2
187.07504	0.5
188.08324	0.4
189.09062	21.5
190.09532	0.3
191.06978	0.8
191.10631	2.2
195.08015	0.3
201.09059	7.6
203.10641	0.8
207.06398	0.2
207.10083	1.0
207.17175	0.2
208.09604	0.3
209.07994	1.5
219.10110	100.0
220.10403	1.7
221.11702	0.4
223.07320	0.2
227.10637	0.8
237.11163	2.9
249.11266	0.2
253.08583	0.4
253.12233	0.3
255.10226	0.5
285.11285	0.3
287.12695	0.8
313.14282	0.8
324.26166	0.3
331.15347	3.3
339.13339	0.4
367.12643	0.3
391.13931	0.5
453.34116	0.2
508.21100	0.2
540.23199	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.3
55.05493	0.3
57.03416	0.5
65.03916	0.2
67.05480	0.6
69.03412	0.6
69.07055	0.4
70.06587	1.4
71.04957	0.4
71.51872	0.2
72.08130	0.6
73.02910	1.0
79.05462	0.2
81.03416	0.3
81.07051	1.0
82.06555	0.2
84.04510	0.3
84.08126	1.0
85.02902	1.1
85.06539	0.3
86.09695	1.0
88.03990	0.2
91.05460	1.6
93.03384	0.2
93.07027	0.9
95.04940	0.7
95.08578	0.6
97.02863	0.4
97.06498	0.4
103.05450	0.5
105.06996	0.7
106.04170	0.2
107.04928	0.5
107.08556	0.5
108.08834	0.2
109.06499	0.3
109.10137	0.4
110.07140	0.4
115.03924	0.3
115.05417	0.5
117.07009	0.6
119.04917	0.8
119.08549	0.6
120.08095	0.4
121.06496	0.6
121.10121	0.4
122.03534	0.3
122.05975	0.2
122.10469	0.2
123.04403	0.4
123.08073	0.2
123.11719	0.2
123.25861	0.2
124.07518	0.3
125.05936	0.2
127.03860	0.4
128.06198	0.7
129.06979	4.2
129.10219	0.4
130.08623	0.2
131.04921	1.0
131.08543	5.7
133.06421	0.3
133.10097	0.6
135.08015	0.4
136.03883	0.2
136.07506	0.5
137.05963	3.6
140.07008	0.2
141.06960	4.0
143.04932	0.3
143.08508	0.6
144.05629	0.5
145.05026	0.2
145.06444	0.6
146.07162	0.3
146.08138	0.4
147.04344	0.5
148.05128	0.2
149.05945	1.0
149.13173	0.2
151.03802	0.3
151.07529	3.0
152.07005	0.3
157.06473	4.6
158.07228	1.8
159.08028	5.0
160.05186	0.6
161.05891	0.6
161.09578	0.7
163.07471	1.1
165.09135	0.2
166.04866	0.3
167.07011	1.1
167.08415	0.3
169.06468	2.5
170.07190	1.2
171.07983	0.4
173.05974	0.4
174.06741	10.7
175.07532	3.3
177.05418	0.6
177.09084	0.3
181.04886	0.2
181.08589	0.3
183.07942	0.2
186.06772	2.3
187.07489	0.4
188.08272	0.7
189.09076	23.1
190.09464	0.3
191.06970	0.5
191.10640	1.4
192.38736	0.2
195.08003	0.6
201.09071	8.5
203.10648	0.7
207.10104	0.6
209.07971	1.3
219.10121	100.0
220.10471	1.0
221.05788	0.2
221.11774	0.3
223.07581	0.2
227.10562	0.9
233.06126	0.2
237.09085	0.3
237.11211	3.0
249.09117	0.3
253.08662	0.4
253.12172	0.4
255.10059	0.9
260.24799	0.2
281.11603	0.2
285.11163	0.5
287.12744	1.5
297.11188	0.3
310.87646	0.2
313.14279	1.4
327.13232	0.2
331.11444	0.4
331.15347	5.4
339.13342	0.5
391.13837	0.2
401.15903	0.2
453.34222	0.3
540.16931	0.2
540.24335	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80364	0.3
55.01822	0.4
67.05480	0.7
67.22058	0.3
69.03400	0.6
69.07019	0.7
70.06647	1.5
73.02872	0.9
79.05436	0.7
81.07013	1.1
84.08113	0.3
85.02849	0.8
85.06502	0.7
86.09674	0.5
91.05416	0.9
93.07033	0.8
95.04915	0.7
95.08530	0.8
96.43200	0.3
97.06435	0.3
105.06969	1.0
107.04928	0.5
107.08546	0.8
108.08081	0.4
109.10133	0.4
115.05429	0.6
116.07024	0.3
117.06923	0.4
119.08536	0.4
120.04404	0.5
120.08064	0.5
121.06476	0.3
121.10088	0.6
122.06030	0.4
124.07577	0.4
128.06229	0.5
129.06940	2.6
131.04869	0.8
131.08533	4.7
133.10034	0.6
134.05946	0.3
136.07512	0.5
137.05930	0.8
138.09084	0.4
141.06932	2.5
143.08476	0.5
144.05635	0.5
145.06418	0.6
146.05969	0.4
146.07169	0.6
147.04309	0.5
151.07497	0.4
152.07036	0.9
156.10164	2.8
157.06441	3.0
158.07199	1.2
159.08031	5.0
161.09612	0.7
163.07472	0.4
167.07001	1.0
168.10143	1.2
169.06404	1.8
170.07196	1.0
171.08020	0.5
172.03888	1.0
173.04292	0.3
174.06728	7.6
175.07446	2.3
177.05415	0.4
186.06667	1.6
188.08305	0.5
189.09070	17.9
190.04913	0.6
190.19540	0.3
191.06963	0.7
191.10609	1.3
192.07861	0.4
194.08076	0.9
196.09671	0.6
201.09055	7.1
203.10599	0.4
207.09985	0.5
208.09595	0.5
209.08015	0.7
209.10750	0.5
219.10109	100.0
220.10382	1.1
221.11557	0.4
222.11519	0.7
223.12218	0.8
224.09395	0.7
225.10138	5.1
235.08574	2.0
235.12621	0.4
236.09354	2.4
237.10417	4.2
238.10886	1.7
239.11789	1.1
240.12500	2.7
241.13029	0.5
249.11218	5.3
250.10963	1.7
251.07999	0.6
251.11734	12.5
252.08888	0.5
252.12534	0.8
253.09666	4.0
253.13380	0.8
257.17432	0.4
261.10071	0.5
263.11765	0.9
264.09406	0.3
265.09674	9.0
266.10330	0.9
267.11099	2.1
277.09659	0.9
278.10431	2.0
279.07657	1.6
279.11200	13.9
280.11920	2.5
281.09583	0.3
281.12842	1.9
283.10733	1.0
284.11346	0.6
289.09586	0.5
291.11346	0.6
292.12076	0.4
293.09143	4.9
293.12753	1.6
294.09952	2.0
294.12930	0.4
295.10757	1.2
295.14191	0.6
296.11328	0.5
297.12250	6.4
299.13843	4.1
306.24966	0.5
307.10693	2.8
308.11371	0.5
309.12186	2.7
311.10153	1.5
311.13812	1.6
312.11014	3.7
312.14304	0.5
323.13931	0.7
324.10941	1.0
325.11755	15.2
326.12009	0.8
327.09454	0.7
327.13333	13.1
335.09988	1.6
337.11786	0.7
339.13318	21.7
340.13983	2.9
352.10394	0.8
353.11200	3.3
357.14291	1.3
359.15778	0.5
360.21100	0.4
367.12802	8.0
368.13593	2.9
369.14261	0.8
384.12903	0.6
385.13843	28.1
399.15414	8.6
399.46384	0.4
400.16193	1.2
508.20679	5.3
531.02722	0.3
540.23334	59.1
541.23541	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45098	0.2
54.76395	0.3
57.03390	0.3
58.13078	0.2
59.37550	0.2
60.33250	0.2
67.05434	1.0
69.03384	0.6
69.07001	0.9
70.06517	0.9
71.54504	0.4
72.08091	0.4
73.02839	0.4
78.91595	0.2
79.05417	0.8
81.03358	0.5
81.06980	1.2
83.04922	0.4
83.08555	0.3
84.04433	0.5
84.08076	0.5
85.02824	1.0
85.03294	0.3
85.06472	0.3
86.09660	0.4
90.80354	0.2
91.05430	0.7
93.06967	0.9
94.06503	0.8
95.04928	0.5
95.08537	1.1
105.06950	1.1
106.04114	0.3
106.06498	0.3
107.04852	0.3
107.08538	0.5
108.08054	0.5
109.06396	0.3
109.10096	0.6
110.05958	0.8
117.06943	0.4
119.08514	0.5
120.04421	0.6
120.08025	0.3
121.06423	0.8
121.10076	0.5
122.05933	1.2
123.11632	0.4
124.07503	0.5
131.04877	0.3
132.07993	0.3
133.10097	0.6
134.05928	0.6
136.07506	0.6
137.05890	1.0
138.05386	0.4
140.07033	0.6
143.08463	0.3
145.10017	0.8
146.05936	0.8
147.11533	0.5
149.05919	0.3
150.09077	0.7
152.06999	2.0
153.08907	0.4
154.08531	0.9
156.10173	4.6
159.11610	0.4
162.07600	0.3
164.06989	0.4
166.08530	0.7
167.07069	0.5
168.10153	1.8
169.35114	0.3
172.03835	1.2
173.09612	0.3
178.04959	0.3
181.08591	0.4
190.04918	0.8
194.08144	1.3
196.09662	0.9
197.10704	0.4
204.06468	0.8
207.06369	0.3
208.09665	0.4
208.11385	0.3
209.07961	0.9
209.10681	1.0
210.03996	0.3
210.11432	0.6
211.08682	0.3
211.12300	0.7
217.09415	0.3
220.02411	0.6
221.10724	0.4
222.07791	0.3
222.11450	0.4
223.08615	0.7
223.12187	2.0
224.09340	0.9
225.10172	8.3
225.13625	0.4
226.10861	0.4
233.10709	0.7
234.09186	0.6
234.11424	0.6
235.08609	2.5
235.12183	0.6
236.09302	3.8
237.10173	9.8
237.21602	0.3
238.10948	2.6
239.11740	1.2
240.10304	0.4
240.12527	5.5
241.09506	0.4
248.09222	1.0
249.10190	5.4
250.07155	0.3
250.10934	3.6
251.08035	1.1
251.11736	20.4
252.08839	0.7
252.12285	1.3
253.09630	7.6
253.13252	1.2
254.10469	0.5
255.11188	0.4
257.12576	0.3
261.10120	1.0
262.11008	0.7
263.08636	0.3
263.11725	1.7
264.08807	0.4
265.09671	14.8
265.12717	0.6
266.10370	2.1
267.11252	3.9
268.11951	0.3
269.12650	0.8
277.09528	2.0
278.10449	4.0
278.83887	0.3
279.07733	2.2
279.11194	24.2
280.11923	4.5
281.09509	0.6
281.12799	3.0
282.09943	0.7
283.10712	1.4
284.11487	0.9
285.08997	0.3
289.09515	0.7
291.11154	0.7
293.05862	0.5
293.09116	8.7
293.12750	3.6
294.09921	3.0
294.13199	0.4
295.10669	2.1
295.14279	1.2
296.11462	1.0
297.12265	10.1
298.12851	0.4
299.13828	6.6
300.14471	0.3
306.09940	1.1
307.10721	5.3
308.11469	1.0
309.08780	0.6
309.12149	3.6
310.12671	0.4
311.10101	3.1
311.13794	1.9
312.11038	6.0
312.14594	1.2
313.11609	0.5
321.11966	0.4
322.13116	0.5
323.10333	0.4
323.13754	0.9
324.11029	1.9
324.14499	0.5
325.11758	26.1
326.12323	1.0
327.13315	22.8
328.13629	0.5
335.10159	2.4
337.11649	0.8
339.13315	34.2
340.14084	5.3
341.14780	0.7
351.13376	0.6
352.10416	0.9
353.11267	6.3
354.11667	0.4
357.14279	2.6
367.12793	11.9
368.13568	5.0
369.14395	2.2
384.13062	1.1
385.13855	45.9
386.14185	1.2
399.15417	14.7
400.16068	2.5
401.17020	0.7
419.14081	1.5
462.20172	0.3
508.20770	8.1
540.23315	100.0
541.23523	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10337	0.2
55.01839	0.5
57.07027	0.3
64.76926	0.3
69.03374	0.5
69.07005	1.2
69.38134	1.0
69.38561	1.5
70.04059	3.7
70.06541	0.4
75.58437	0.2
79.05436	0.6
81.03391	0.4
81.07006	0.3
83.04945	0.3
84.04453	0.3
85.02838	0.8
88.03944	0.3
91.05429	0.6
93.06989	0.7
94.06538	0.3
95.04903	0.3
95.08582	0.3
97.06462	0.4
97.10100	0.3
98.75767	0.3
103.83554	0.3
105.06968	0.7
107.08559	0.5
108.08071	0.4
109.10071	0.5
109.50331	0.3
119.08553	0.5
120.04426	0.9
121.10078	0.4
122.05956	0.8
125.77184	0.3
132.08005	0.3
133.10057	0.3
134.06018	0.3
137.09552	0.3
138.08975	0.3
140.06992	0.7
146.05882	0.3
152.07051	1.7
154.08614	0.8
156.10110	1.1
157.10118	0.3
162.07539	1.0
168.10117	0.7
172.03842	0.7
174.05464	0.4
176.10588	1.0
190.04909	0.6
192.06508	0.3
194.08093	2.1
195.09131	0.3
196.09666	0.5
209.10655	1.1
210.11282	0.3
211.12161	0.5
216.10277	0.3
221.10628	0.6
222.11539	0.7
223.08681	0.5
223.12218	2.1
224.09383	0.7
224.12907	0.5
225.10167	3.4
226.10944	0.4
233.10690	0.5
234.09090	0.4
235.08580	2.8
235.12192	0.5
236.09354	3.8
237.10185	9.0
238.10892	1.9
239.11732	1.2
240.12482	0.7
241.13220	0.5
248.09322	0.8
249.07599	0.4
249.10190	8.0
250.10950	4.6
251.08167	1.4
251.11754	16.8
252.08792	0.8
252.12485	2.6
253.09665	11.4
253.13251	0.9
254.10214	0.5
255.11301	0.5
261.10208	1.3
262.11032	1.0
263.08063	0.8
263.11725	2.3
264.08798	0.4
264.12427	0.4
265.09671	17.8
265.12726	0.7
266.10355	1.7
266.13892	0.4
267.11249	5.0
267.14175	0.5
268.11969	0.6
269.12836	0.7
276.08835	0.4
277.09659	2.8
278.06607	0.7
278.10452	7.0
279.07626	5.0
279.11212	22.1
280.08682	0.4
280.11987	5.0
281.09457	0.6
281.12787	2.0
282.09967	0.8
283.10733	1.3
284.11514	0.8
289.09656	0.8
291.07947	0.4
291.11206	1.1
292.08676	0.3
293.05896	0.4
293.09125	7.2
293.12753	6.5
294.09879	2.6
294.13458	1.4
295.10681	4.3
295.14319	3.0
296.11526	1.2
297.12271	6.9
299.13818	1.1
306.09808	1.0
307.10712	3.5
308.11563	1.4
309.08798	0.7
309.12210	7.1
309.15768	0.5
310.09436	0.4
310.12875	0.5
311.10165	3.7
311.13828	2.3
311.22079	0.4
312.10968	10.5
312.14304	0.4
313.11536	0.8
317.09576	0.3
321.12225	0.8
323.10364	0.6
323.13849	1.4
324.11002	3.9
324.14566	0.6
325.11743	14.9
326.12436	1.1
327.13324	46.6
328.13672	1.0
329.23087	0.7
334.09500	0.4
335.10159	5.1
336.10867	1.7
337.11743	4.8
339.13321	100.0
340.13928	4.8
341.14877	0.9
349.11844	0.6
352.10376	1.6
353.11230	8.7
354.11746	0.3
355.12784	0.4
357.14401	0.8
367.12805	76.3
368.13544	7.7
369.14389	0.5
384.13068	0.9
385.13843	12.9
386.14218	0.4
398.18655	0.4
399.15439	15.4
400.15909	0.8
467.19974	0.5
476.17987	4.9
480.21466	1.7
508.20688	92.5
509.21216	2.1
524.21350	0.3
526.21826	4.8
527.32886	0.3
540.23322	30.9
541.23578	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23359	0.3
55.05482	0.7
57.03411	0.7
62.37553	0.4
67.05466	0.8
69.03397	0.4
69.07029	1.3
69.47083	2.5
69.47494	0.7
70.06551	1.7
71.04960	0.6
73.02867	0.6
79.05460	0.4
79.40898	0.4
81.07025	2.2
84.08109	0.5
85.02870	0.9
85.06482	0.7
86.09669	0.7
88.41205	0.4
91.05444	1.5
93.06987	1.1
94.06528	0.6
95.04932	0.7
95.08543	1.1
95.56948	0.4
96.08904	0.6
98.20746	0.8
105.06994	1.4
107.04914	0.7
107.08543	0.7
109.10142	0.7
110.06026	0.6
111.08037	0.6
115.05431	0.6
119.08511	0.6
120.04432	0.7
120.08109	0.7
121.06477	0.9
121.10105	0.7
128.06161	0.5
129.06956	3.0
131.04895	1.2
131.08537	5.0
133.10124	0.6
134.05927	0.6
136.07533	0.8
137.05917	1.3
138.05380	0.6
140.07024	0.6
141.06969	2.8
143.08495	0.7
145.06383	0.5
146.05977	0.6
146.07150	0.6
147.11607	0.4
149.05959	1.2
151.07587	0.4
152.07019	2.0
154.08548	0.9
156.10165	3.8
157.06468	3.3
158.07225	1.4
159.07999	4.0
160.05144	0.6
161.09560	0.5
167.07039	1.3
168.10207	1.3
169.06450	2.1
170.07187	0.9
172.03918	1.4
174.06717	8.8
175.07527	2.1
177.05449	0.6
182.09514	0.6
186.06699	1.8
187.07622	0.7
188.08308	0.6
189.09081	19.9
190.04941	0.7
191.07025	0.5
191.10585	1.5
194.08081	0.9
196.09538	0.5
201.09076	7.3
203.18106	0.4
207.10114	0.8
208.09724	0.8
209.08110	0.9
209.10629	0.9
210.08961	1.0
210.11340	0.6
219.10117	100.0
220.10397	1.6
222.11461	0.8
223.12296	1.6
224.09277	0.6
225.10164	7.0
234.09047	0.8
235.08546	3.5
236.09299	3.7
237.09987	6.6
238.11000	2.3
239.11710	1.5
240.12535	4.3
241.09625	0.6
248.09073	0.6
249.10405	4.4
250.10992	2.4
251.07936	0.8
251.11742	17.6
252.08890	1.2
252.12427	1.5
253.09695	6.6
253.13309	1.0
261.10223	0.7
263.09079	0.6
263.11630	2.2
264.09448	0.4
265.09683	12.8
266.10455	1.6
267.11292	3.5
269.12961	0.5
277.09683	1.3
278.10455	2.9
279.07761	2.0
279.11221	20.5
280.11984	4.2
281.12894	2.5
283.10745	1.1
284.11511	1.3
288.24057	0.6
289.09491	0.6
291.11191	0.5
293.09152	6.7
293.12781	2.8
294.09973	2.7
294.13028	0.5
295.10767	1.5
295.14398	1.3
296.11429	0.9
297.12274	10.0
298.12781	0.5
299.13870	6.1
305.82959	0.4
307.10684	4.6
308.11429	1.0
309.12259	3.9
311.10178	2.0
311.13776	1.7
312.11038	4.5
312.14597	1.0
313.11780	0.5
323.13892	1.3
324.10959	1.6
325.11783	21.8
326.12228	0.9
327.13327	21.1
335.10114	2.8
337.11676	1.0
339.13327	31.0
340.13965	4.7
351.13693	0.6
352.10608	1.1
353.11255	5.9
357.14413	2.5
367.12808	12.3
368.13486	4.1
369.14377	1.8
384.13058	1.1
385.13861	43.5
386.14267	1.1
399.10223	0.8
399.15433	12.6
400.16150	1.8
401.17026	0.5
508.20837	7.4
536.12415	0.5
540.23322	84.2
541.23761	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05437	0.6
69.03384	0.5
69.07002	1.0
69.19180	5.0
70.06534	0.7
75.96348	0.4
78.04758	0.4
81.07001	0.8
85.02797	0.8
87.48506	0.5
93.06985	0.9
94.06515	0.8
95.04922	0.5
95.08540	0.6
107.08483	0.6
120.04385	0.7
121.10104	0.6
122.05984	1.1
140.06982	0.9
145.44052	0.4
146.05878	0.5
147.04291	0.5
150.05458	5.2
152.06989	1.8
154.08536	0.5
156.10092	1.3
156.54961	0.4
162.07623	0.6
168.06586	2.1
168.09959	0.5
176.10611	1.2
190.04761	0.6
194.08025	1.7
196.09622	0.5
202.08679	0.4
209.10579	0.5
221.10687	0.7
223.08627	0.6
223.12192	1.7
224.12823	0.7
225.10081	3.0
226.10887	0.6
234.09013	0.6
234.11288	0.5
235.08618	3.4
235.12119	0.5
236.09300	2.8
237.10153	8.1
238.10843	1.5
239.11647	0.9
240.12613	0.7
241.13280	1.0
249.10176	7.6
250.07487	0.4
250.08324	0.5
250.10938	4.1
251.08002	1.0
251.11739	14.0
252.08665	0.5
252.12405	2.4
253.09671	9.6
253.13225	1.1
254.10446	0.5
261.10211	1.2
262.10992	0.9
263.08151	0.6
263.11731	1.7
265.09677	16.5
266.10376	1.4
267.11255	5.2
267.14166	0.7
268.12177	0.6
269.12848	0.6
277.09689	2.7
278.06696	1.2
278.10376	6.6
279.07599	4.1
279.11179	20.8
279.43546	0.6
280.08777	0.6
280.11917	4.5
281.12775	1.8
282.09927	0.7
283.10757	1.0
286.73108	0.5
289.09760	1.1
291.11102	0.8
293.09113	5.5
293.12735	6.4
294.09781	2.5
294.13214	0.9
295.10641	5.0
295.14282	2.7
296.11551	1.6
297.12277	6.1
299.13614	0.8
305.09192	0.8
306.09842	1.3
307.10587	3.2
308.11652	1.1
309.08881	0.8
309.12262	5.6
311.10153	3.1
311.13812	2.0
312.10983	10.8
312.14581	0.7
313.15363	0.7
323.10101	0.5
323.13748	1.3
324.11069	4.8
325.11783	13.8
326.12372	1.4
327.13315	44.6
328.13794	0.9
335.10138	4.7
336.10815	1.0
337.11649	4.1
339.13315	100.0
340.13895	4.8
341.14935	0.8
351.09720	1.2
352.10355	1.6
353.11221	8.7
353.15060	0.5
354.11874	0.9
357.14285	1.4
365.33957	0.5
366.12097	1.1
367.12802	74.4
368.13528	6.1
369.14359	1.1
371.16193	0.5
384.13071	0.8
385.13873	11.1
399.15424	14.9
400.16098	0.8
438.63177	0.5
476.17957	4.4
480.21082	1.9
508.20694	96.1
509.21118	1.3
522.22223	2.0
526.21582	3.4
540.23364	25.7
541.23444	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05468	0.5
56.82389	0.3
63.41159	0.3
65.03897	0.4
69.03384	0.7
69.07010	1.2
70.06550	0.7
79.05438	0.7
81.07034	0.7
84.04430	0.5
84.08100	0.7
85.02857	0.7
91.05408	0.7
93.06977	1.3
94.06496	0.4
95.08573	0.6
97.06446	0.4
98.20773	0.7
105.06944	0.5
107.04894	0.4
107.08493	0.6
110.05997	0.6
115.83025	0.3
119.08527	0.5
120.04385	0.4
121.10116	0.7
122.05959	0.6
123.11664	0.3
124.03944	0.3
133.06340	0.4
133.10008	0.5
136.07472	0.4
137.05869	0.6
138.09053	0.4
140.06989	1.2
145.09966	0.3
146.05959	0.8
149.02277	1.2
149.09586	0.4
152.07005	1.3
154.08549	1.5
156.10115	0.9
160.07469	0.3
166.08629	0.5
167.06973	0.6
168.10069	0.4
176.10684	0.9
177.09071	1.5
190.04926	0.3
192.06563	0.5
192.10072	0.4
193.08530	1.1
194.08058	1.7
196.09761	0.4
204.06500	0.4
208.09779	0.6
209.10684	1.1
211.12265	0.4
222.07979	0.5
222.11508	0.5
223.08607	0.5
223.12164	2.0
224.09380	0.6
225.10202	3.0
233.10680	0.5
234.09154	0.5
234.11424	0.4
235.08582	2.7
236.09285	2.4
237.10175	8.1
238.10919	1.4
239.11723	1.0
240.12469	0.9
241.13342	0.5
248.09186	1.2
249.10161	7.8
250.10974	4.2
251.08044	1.4
251.11742	14.8
252.08961	0.9
252.12494	2.7
253.09669	11.9
253.13226	1.0
254.10301	0.3
261.10220	0.8
262.10922	0.9
263.08102	0.7
263.11746	2.1
264.08832	1.0
265.09677	17.3
266.10422	1.8
266.13614	0.4
267.11255	4.8
267.14175	0.5
268.11945	0.5
269.12918	0.4
277.09683	3.6
278.06604	1.2
278.10422	6.8
279.07629	4.7
279.11209	19.0
280.08783	0.4
280.11981	5.7
281.09476	0.6
281.12750	1.6
282.10001	0.6
283.10846	0.7
285.12262	0.6
286.12982	0.4
289.09622	0.9
290.10254	0.4
291.11267	1.2
292.12015	0.4
293.09134	5.9
293.12769	6.3
294.09875	3.2
294.13486	1.0
295.10693	4.5
295.14346	3.6
296.11511	1.4
297.12286	7.1
298.12805	0.4
299.13748	0.7
306.09824	1.3
307.10629	3.1
308.11441	1.8
309.08746	0.7
309.12192	6.1
311.10181	3.8
311.13885	2.6
312.10986	10.7
313.03088	0.7
313.11826	0.5
321.12100	0.8
323.10345	0.6
323.13907	1.9
324.11078	4.4
324.14661	0.7
325.11737	13.9
326.12473	0.9
327.13321	48.5
328.13843	0.9
334.09402	0.4
335.10233	5.5
336.11002	1.4
337.11752	5.2
339.13318	100.0
340.13931	4.0
341.14807	1.1
349.11441	0.6
352.10428	1.5
353.11258	8.7
354.12033	0.8
355.12778	0.7
357.14584	0.7
367.12808	81.4
368.13470	7.4
369.14371	0.7
384.13113	0.8
385.13864	10.0
399.15421	15.8
400.16077	0.3
467.20319	1.0
476.18088	5.1
480.21283	2.0
508.20691	97.3
509.21054	2.9
512.29279	0.4
526.21777	3.7
540.23322	38.2
541.23901	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45965	0.3
69.03395	0.4
69.07030	0.8
69.34184	0.6
69.34586	2.8
69.56123	0.3
69.85040	0.3
81.07018	0.6
84.08117	0.3
85.02850	0.6
85.06470	1.0
91.05428	0.4
93.06974	1.0
95.04924	0.4
95.07339	0.3
95.08580	1.0
98.20724	0.7
99.08036	0.5
100.11202	0.8
105.06940	0.4
107.08544	0.6
108.08115	0.4
109.10078	0.5
111.04443	0.4
114.09206	0.3
119.08502	0.4
121.06492	0.7
121.10094	0.4
122.05959	0.9
133.10054	0.7
135.11632	0.5
138.09067	0.7
140.06961	0.8
144.04402	0.4
145.50366	0.3
146.05879	0.5
147.11586	0.8
152.07001	1.9
154.08525	0.9
156.10136	1.1
157.12494	0.3
161.54649	0.4
167.06993	0.4
172.03920	0.6
173.04306	0.4
174.05383	0.5
176.10645	1.0
190.04909	0.4
193.12132	0.6
193.15919	0.5
194.08127	2.4
194.09619	0.4
208.09669	0.4
209.10728	1.2
210.09041	0.5
210.11342	0.4
211.16817	1.2
222.07770	0.6
222.11484	0.8
223.12222	1.7
224.09288	0.8
225.10127	2.3
225.13765	0.4
233.10611	0.6
234.08981	0.6
234.11443	0.4
235.08626	2.9
235.12195	0.6
236.09343	3.8
237.10179	9.3
238.10928	1.8
239.11719	0.8
240.12526	0.9
241.13110	0.6
248.09142	0.5
249.10219	7.7
250.10869	4.1
251.08174	1.9
251.11748	16.5
252.08710	0.4
252.12593	2.7
253.09676	10.6
253.13481	1.2
254.10260	0.5
256.95490	0.4
261.10086	1.0
262.10876	1.0
263.08093	1.0
263.11801	2.2
264.09052	0.6
265.09665	16.7
266.10287	1.6
266.13873	0.5
267.11249	5.1
268.11966	0.8
269.12683	0.5
270.66498	0.4
277.09650	3.2
278.06845	0.5
278.10458	6.6
279.07645	3.8
279.11194	24.3
280.11948	5.1
281.09433	0.7
281.12817	2.3
282.09995	0.8
283.10696	1.1
284.11407	0.6
289.09534	1.1
291.11136	1.0
293.09140	6.2
293.12762	5.6
294.09866	3.0
294.13541	1.0
295.10681	4.5
295.14313	2.5
296.11371	1.2
297.12283	6.0
299.13800	0.9
306.09998	0.9
306.25079	0.5
307.10748	3.4
308.11432	1.6
309.08731	0.9
309.12201	5.7
310.12576	0.5
311.10147	3.4
311.13904	2.2
312.11011	10.0
312.14273	0.3
313.11157	0.5
321.12390	0.7
322.13086	0.4
323.13858	1.7
324.11011	3.1
325.11774	17.0
326.12457	0.9
327.13333	45.4
328.13904	0.8
335.10107	5.3
336.10922	1.5
337.11679	4.4
339.13333	100.0
340.13889	4.7
341.14868	0.7
349.11642	0.6
352.10532	1.6
353.11246	7.9
354.12039	0.7
357.14337	1.0
367.12820	82.3
368.13434	7.3
369.14194	0.6
378.17776	0.4
384.13190	0.8
385.13870	15.1
399.15427	17.8
400.15515	0.8
467.20010	0.6
476.18188	4.8
480.21243	2.3
508.20715	99.9
509.21048	3.6
526.21790	3.3
540.23352	27.3
540.40656	1.1
541.23590	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.8
55.01865	2.1
55.05498	0.5
57.29950	0.3
65.03924	3.4
67.05484	0.8
69.03394	0.5
69.07055	0.4
69.20605	3.6
70.06583	2.5
75.04462	3.5
78.04699	2.4
79.05499	2.1
81.03388	0.8
81.07030	1.1
84.08122	0.7
85.02888	2.6
86.09693	1.0
87.16717	0.3
89.03881	1.1
89.06017	0.7
91.05470	10.0
93.02817	0.6
93.03389	9.6
93.07032	5.4
95.04942	3.8
95.08602	0.6
97.02879	0.4
97.06522	2.6
103.05447	4.4
105.03357	0.4
105.04485	0.6
105.07007	1.5
106.04153	23.2
107.04939	2.3
107.08557	0.6
108.05728	0.4
109.02840	0.5
109.06487	1.3
109.10156	0.4
110.03619	0.4
110.07185	0.7
111.04427	1.9
111.08073	0.6
116.07024	0.4
117.03345	1.1
118.48553	0.4
119.04910	1.3
120.08064	0.4
121.06483	26.9
121.10134	0.7
122.03623	0.5
123.04395	1.1
123.08064	0.5
123.11700	0.5
124.05166	0.7
125.05973	8.7
127.03910	0.4
130.08582	0.6
131.04898	1.6
133.06427	0.7
134.03616	3.8
135.04382	1.6
135.07956	0.4
136.07567	0.7
137.05006	0.6
137.05956	6.1
138.06715	1.9
138.09102	0.6
139.07510	2.1
145.02823	1.1
146.08061	0.7
147.04362	1.3
148.05093	1.7
149.05957	39.3
151.03935	0.8
151.07504	2.4
152.08205	0.6
153.05455	5.9
153.09073	10.4
161.05942	0.8
162.01294	0.6
163.03870	0.9
163.07509	2.7
165.05458	0.6
166.06207	0.8
166.08598	0.7
167.07042	3.7
173.12866	0.4
175.07558	0.8
177.05441	21.6
179.06935	0.5
181.08562	17.5
182.09375	1.7
189.09041	0.5
191.06990	2.5
193.08536	0.9
195.06525	0.5
209.08052	100.0
210.08304	0.8
211.16914	0.6
216.88431	0.4
223.04181	4.8
273.11072	0.4
276.20056	0.3
312.08893	0.6
313.10889	0.4
330.10156	0.5
331.15219	0.5
383.14865	0.4
387.14209	0.8
431.97974	0.4
440.22287	0.4
462.15372	0.4
508.16479	0.4
538.21985	0.4
540.20355	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05474	0.6
65.95311	0.3
67.05441	0.6
69.03368	0.5
69.07048	1.7
70.06552	0.7
72.08115	0.3
79.05446	0.7
81.06991	0.9
84.08115	0.7
85.02866	0.7
85.06511	0.4
87.81818	0.3
89.05990	0.4
91.05428	0.5
93.06969	1.0
94.06547	0.5
95.04922	0.5
95.08566	0.7
99.57122	0.3
100.11216	0.4
101.59419	0.3
101.90675	0.3
105.06998	0.5
106.93601	0.3
108.08081	0.4
109.06496	0.4
110.07040	0.3
120.04413	0.7
120.08078	0.5
121.06467	0.4
121.10060	0.9
122.05990	0.8
122.94595	0.3
123.11607	0.4
124.07505	0.4
127.58374	0.3
134.05884	0.3
137.05956	0.7
138.05397	0.3
138.09056	0.3
140.06992	1.1
145.10048	0.4
146.05956	0.7
147.04427	0.4
148.07503	0.4
149.02278	1.2
149.09547	0.4
150.05446	0.4
151.07483	0.5
152.07031	1.9
154.08545	1.6
156.10112	1.3
161.05937	0.4
167.06989	0.8
172.03931	0.8
174.05330	0.5
176.10658	0.9
177.09082	2.3
190.04887	0.7
192.06563	0.4
193.08540	1.2
194.08096	2.0
196.09660	0.5
202.08575	0.4
204.06505	0.4
206.07977	0.3
209.10660	1.1
210.11349	0.5
211.12328	0.4
219.08974	0.4
222.07877	0.5
222.11438	0.7
223.08658	0.7
223.12112	1.5
224.09399	0.6
225.10136	2.6
226.10945	0.4
229.59804	0.3
233.10616	0.6
235.08643	2.3
236.09332	2.6
237.10194	8.5
238.10913	1.3
239.11751	1.2
240.12547	0.9
248.09279	0.7
249.07628	0.5
249.10179	7.3
250.10971	4.3
251.08089	1.4
251.11743	15.3
252.08858	1.1
252.12492	2.5
253.09688	12.7
253.13351	0.9
254.10077	0.5
261.10254	0.6
262.11008	0.7
263.08228	0.6
263.11710	2.1
264.08884	0.9
264.12503	0.4
265.09677	16.8
265.12674	0.5
266.10425	1.6
267.11227	4.8
267.14255	0.5
268.12000	0.5
277.09653	3.3
278.06714	0.9
278.10440	6.4
279.07654	3.8
279.11221	20.6
280.08524	0.8
280.11917	5.2
281.09497	0.5
281.12759	2.3
282.09924	0.4
283.10843	1.5
284.11407	0.5
285.12195	0.5
289.09689	0.9
290.10370	0.5
291.11218	0.9
293.09125	5.6
293.12778	6.0
294.09848	2.7
294.13470	1.1
295.10687	4.3
295.14362	3.4
296.11624	1.7
297.12305	6.4
299.13852	0.8
306.09958	1.1
307.10626	3.3
308.11313	1.5
309.08591	0.9
309.12210	5.8
310.09387	0.4
310.12762	0.4
311.10150	3.8
311.13834	2.4
312.10953	10.3
313.03415	1.0
313.11551	0.7
321.12228	1.0
323.10287	0.5
323.13855	1.3
324.10968	4.7
325.11755	14.4
326.12524	1.1
327.13330	49.1
328.13760	1.4
334.09573	0.5
335.10135	5.1
336.11053	1.6
337.11728	5.1
338.12234	0.4
339.13330	99.5
340.13800	5.0
341.14890	0.9
352.10446	1.7
353.11234	8.3
354.11957	1.0
357.14282	0.7
361.16507	0.5
367.12814	81.4
368.13510	8.5
369.14346	0.7
384.12958	0.9
385.13855	10.4
399.15454	15.9
400.15833	0.8
452.17929	0.6
467.20535	0.6
476.18127	5.4
480.21469	2.5
508.20706	100.0
509.20963	2.9
526.21643	4.0
527.21948	0.3
540.23334	37.9
541.23608	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	540.189
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.3
53.03934	1.1
55.01852	1.9
55.05492	0.4
56.05037	0.3
57.03424	0.4
60.04494	0.3
61.01115	0.3
61.02908	0.5
65.03919	2.2
67.05491	0.9
69.03419	0.7
69.07050	0.6
70.06577	2.8
71.04984	0.6
71.53049	0.3
71.53488	0.5
72.08132	0.5
73.05826	0.3
75.04464	2.8
77.03920	0.3
78.04688	2.1
79.05468	2.1
81.03401	0.7
81.07044	1.0
83.03436	0.2
83.04969	0.4
84.04474	0.2
84.08109	1.4
85.02429	0.3
85.02897	3.4
86.09688	3.3
87.04423	0.3
88.02178	0.3
89.03899	1.0
89.06010	1.1
91.05461	9.3
93.03386	10.3
93.07027	5.6
95.04948	4.1
95.08588	1.0
97.02883	0.4
97.06506	2.1
98.06030	0.4
99.04414	0.3
100.07590	0.3
103.05444	5.0
105.03368	0.7
105.04522	0.6
105.07002	1.8
106.04152	21.8
107.04353	0.3
107.04950	2.4
107.08585	0.4
108.05681	0.4
109.02840	0.3
109.06480	1.2
109.10129	0.5
110.07141	0.6
111.04419	0.8
111.08036	0.4
116.07040	0.3
117.03351	0.8
117.06899	0.3
118.04138	0.4
119.04915	1.1
119.08599	0.3
120.08102	2.3
121.06480	28.3
122.02752	0.3
122.03640	0.3
122.07233	0.4
123.04414	0.9
123.08052	1.2
124.05153	0.4
125.05968	7.5
125.09576	0.4
127.03889	0.4
127.07680	0.2
129.10201	1.1
130.08585	0.4
131.04890	1.9
131.05809	0.3
131.08530	0.3
132.05608	0.3
133.06467	1.2
133.10126	0.5
134.03609	3.4
135.04411	1.2
135.08047	0.5
136.07553	0.9
137.05948	4.4
138.06766	1.2
139.07535	2.0
145.02785	1.2
147.04358	0.6
147.07971	0.3
148.05157	2.3
149.05951	42.2
149.13203	0.3
151.03865	0.7
151.07549	2.2
152.04584	0.3
152.08281	0.6
153.05426	2.0
153.09070	11.0
161.05920	0.7
162.01274	0.4
162.03221	0.3
163.03853	1.0
163.07539	2.0
165.05489	0.5
166.05016	0.3
166.06255	0.9
167.07025	3.7
175.07501	0.5
175.11119	0.3
176.04745	0.4
177.05437	21.6
179.01601	0.3
179.07027	0.4
181.08557	18.9
182.09274	0.4
189.09143	0.4
190.00783	0.5
191.07019	2.1
192.07835	0.6
193.08543	0.7
195.06425	0.6
207.06602	0.3
208.01836	0.5
209.08049	100.0
210.08525	0.7
210.12349	0.3
219.10132	2.5
223.04210	6.7
233.16415	1.0
312.08954	0.9
315.47101	0.3
369.13165	0.4
383.14429	0.4
387.14188	0.7
456.24207	0.7
540.17108	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.3
55.01846	4.4
55.05497	15.9
57.03400	3.9
57.07063	6.3
59.04978	3.9
61.02883	2.7
61.23640	2.2
65.03925	7.8
67.05494	36.0
69.03416	10.7
69.07056	40.8
70.06556	5.8
70.89145	5.3
70.89561	4.4
71.04987	21.5
72.08182	2.8
78.04707	3.4
79.05486	22.6
81.03396	5.8
81.07046	100.0
83.04941	10.6
83.08611	17.8
84.08132	2.4
85.02885	16.1
85.06532	23.4
86.09669	2.3
91.05470	35.1
93.03376	10.5
93.06470	3.4
93.07031	61.1
95.04971	24.4
95.08592	81.8
97.02834	4.9
97.06521	14.7
97.10156	5.6
99.04460	4.0
99.08064	9.9
103.05463	10.5
105.07014	49.4
106.04163	17.3
107.04948	11.3
107.08573	44.2
109.02865	4.5
109.06482	9.5
109.10138	60.3
111.08073	12.6
111.11674	5.3
113.05959	3.2
115.05481	3.3
117.06972	7.1
118.04177	2.9
119.04904	5.6
119.08557	40.7
121.06470	22.9
121.10130	40.9
122.03623	3.1
123.04422	4.1
123.08054	9.0
123.11685	49.2
124.05189	2.8
125.05954	10.0
125.09574	6.0
125.13236	2.1
127.03878	4.9
127.11172	15.9
129.06990	3.0
131.04916	24.6
131.08521	15.6
132.05670	5.3
133.06438	3.4
133.10103	32.4
134.03555	3.1
135.04361	3.2
135.08012	6.0
135.11676	30.8
137.05959	25.2
137.09563	6.8
137.13251	11.4
139.07500	2.7
139.11145	20.4
140.07060	2.9
141.12720	19.7
143.08492	4.6
145.04919	2.7
145.06499	2.5
145.10100	23.6
147.11652	28.8
148.05191	6.4
149.05966	43.3
149.09579	4.2
149.13223	20.6
151.07478	11.3
151.11179	14.3
152.07050	3.2
153.01808	5.8
153.05457	4.1
153.09067	10.0
153.12703	8.9
154.06227	4.4
155.10611	4.1
157.10078	9.8
157.12141	4.5
159.11658	20.2
160.05151	4.4
161.05946	9.9
161.13196	10.3
163.03908	4.5
163.07487	21.8
163.11053	3.1
163.14767	8.5
165.05417	4.6
165.12720	9.1
167.07007	50.8
167.10629	2.8
167.14273	3.7
168.07343	2.7
169.12202	4.6
171.11632	4.5
173.09773	2.2
173.13191	10.4
174.06715	2.7
175.07533	8.6
175.14745	13.4
177.03981	3.9
177.05426	31.1
177.09077	25.8
177.16321	7.8
178.05756	3.0
179.14284	3.4
180.07788	5.1
181.04929	20.7
181.08569	21.2
181.12173	2.5
182.09357	15.1
183.13770	3.2
185.13243	4.9
187.14825	5.2
188.03801	2.6
189.09091	4.8
189.16351	8.5
190.00967	3.1
190.06186	2.6
191.06990	31.1
191.14201	3.3
192.07770	22.2
193.15874	9.1
195.06447	3.1
199.14830	6.1
201.16327	22.3
203.17947	7.0
205.15939	2.9
208.07193	4.6
209.08063	83.8
210.08789	25.2
211.16924	6.6
213.16325	7.0
215.17908	6.2
217.19446	4.1
219.17401	6.7
221.18962	3.7
223.04205	17.5
225.05779	2.5
230.36099	2.4
235.09641	3.0
237.10028	2.4
237.18414	7.6
243.81387	2.2
249.10103	5.2
249.18452	5.1
250.10962	4.6
251.11780	8.7
251.20111	5.4
253.09651	6.9
263.09119	6.5
263.11786	4.1
265.09747	15.4
267.11157	4.9
267.19473	6.9
269.22641	10.6
275.23630	9.9
278.10336	6.4
279.08289	2.8
279.11096	12.9
280.12088	2.4
281.12646	2.7
285.20807	2.2
287.23566	24.9
293.09140	6.3
293.12585	2.7
293.24698	9.1
295.10565	6.4
297.11557	3.7
305.24667	44.7
309.12137	6.5
311.12973	2.5
311.25711	3.5
312.08102	2.5
312.11237	6.5
323.25793	59.6
325.11609	8.5
327.13333	46.8
331.15567	3.8
335.10147	2.7
337.11655	4.7
339.13342	78.1
339.17490	3.7
341.26797	18.5
345.25912	2.6
353.11108	5.6
355.15460	3.6
357.13431	3.1
359.27774	7.4
367.12793	54.4
368.13492	5.1
377.28778	6.9
385.13504	5.3
399.15375	12.6
417.15198	8.4
508.20758	73.4
540.23297	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	539.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	0.4
57.07058	0.4
65.90858	0.3
67.05501	0.6
70.81260	0.6
71.08616	0.4
79.05466	0.5
81.07029	0.9
84.08112	0.4
91.05477	0.5
93.06989	0.6
95.08580	0.7
104.10696	0.4
105.07018	0.6
107.08579	0.6
117.07076	0.4
124.99978	0.5
133.10110	0.4
143.08559	0.4
156.60852	0.4
162.96991	0.3
184.07283	0.9
185.04187	0.3
203.05237	0.7
203.19046	0.3
264.60852	0.4
321.22858	0.5
538.82043	1.0
539.31775	100.0
540.32098	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	538.4668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03413	4.3
57.07065	100.0
57.98416	0.7
59.04990	68.8
69.07047	2.4
70.12961	3.4
71.08617	74.9
75.22327	0.8
81.07043	1.2
82.20489	0.8
83.08599	1.5
85.10166	64.1
97.10149	3.3
97.63182	0.7
99.08073	1.2
99.11706	14.5
101.09645	6.5
111.11690	1.1
113.13265	5.4
115.07510	1.3
117.09112	27.0
117.19504	0.8
129.96841	0.8
130.08536	0.9
135.10143	1.6
155.17900	13.2
158.11720	2.1
159.13760	0.9
165.66655	0.8
175.13255	6.4
213.22095	22.9
233.17462	2.3
235.40628	0.7
251.18510	2.2
254.24738	2.4
271.26254	33.4
299.27750	0.8
309.22672	1.5
329.30420	2.6
521.43811	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	539.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55378	0.3
56.05014	0.6
57.80647	0.3
69.60085	1.4
84.08130	27.1
85.08427	0.3
98.21498	0.3
102.09148	0.3
112.07567	0.3
130.07683	0.6
130.08617	9.1
133.86993	0.3
134.04501	0.3
152.05522	0.6
156.05006	0.6
170.05226	0.5
170.06612	5.8
174.06139	0.3
186.06149	0.5
187.31244	0.3
188.07645	1.0
217.11864	1.1
223.12857	0.5
235.12886	13.4
236.13185	0.4
237.14487	0.9
245.11320	6.8
251.12372	0.9
253.13895	1.1
261.10861	0.8
263.12375	22.9
264.12628	0.7
269.13431	1.0
271.14996	1.4
279.11923	0.7
281.13400	24.5
282.13559	0.7
297.12958	1.6
299.14459	60.5
300.14630	2.1
313.15674	0.3
317.15521	51.8
318.15805	2.1
322.16040	1.8
410.21283	100.0
411.21484	6.7
484.43777	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.5
53.79042	1.4
55.05509	11.2
57.03414	3.6
57.07068	75.4
59.04981	2.9
61.02910	3.8
67.04908	1.1
67.05495	22.5
69.03410	7.0
69.07056	13.4
69.54397	5.5
69.54808	3.8
71.08619	64.6
73.02895	2.6
75.04456	2.7
77.73323	1.3
79.05485	2.1
81.03397	5.3
81.07040	31.6
83.08608	20.1
85.02892	17.1
85.06506	1.8
85.10175	33.6
87.04439	2.2
89.06005	2.6
93.07028	2.0
95.08591	49.5
97.02888	9.5
97.10155	17.6
99.04432	3.9
99.11700	2.8
104.10742	1.7
107.08540	2.3
109.02869	3.0
109.09379	1.6
109.10139	21.4
111.11706	8.3
123.11674	9.7
125.13177	1.6
127.03910	9.5
137.13254	4.6
145.04932	9.6
151.14812	1.5
171.01303	1.3
184.07330	2.5
214.95822	1.6
227.19981	6.4
249.25780	5.2
267.26801	51.7
269.23517	1.5
285.27890	4.5
301.06180	1.5
302.71912	1.4
326.30441	2.7
330.92606	1.6
336.06573	1.3
341.30450	100.0
342.30798	2.7
359.31485	19.6
411.30975	20.5
429.32068	49.4
534.35950	1.3
538.36542	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	537.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	1.8
57.03410	0.7
57.06790	1.1
57.07064	21.4
63.64017	0.5
63.78028	0.5
65.03931	1.1
65.48132	0.5
66.25222	0.5
67.05478	1.6
67.52634	0.4
67.94350	0.4
69.03418	1.2
69.07045	0.9
69.99785	1.6
70.00195	0.7
71.04944	0.7
73.02914	0.9
73.06550	1.2
79.05481	0.7
81.03365	1.0
81.07050	2.5
83.04947	0.8
83.08603	0.7
84.08109	0.7
85.02880	4.2
88.70457	0.5
89.06005	0.5
91.05425	0.9
91.05822	0.5
93.07031	1.5
95.04938	0.6
95.08579	1.9
97.02888	1.9
97.06497	0.8
99.04433	0.8
105.06994	1.9
107.08578	1.0
109.02853	1.2
109.06493	1.0
109.10168	1.0
111.04436	0.8
117.09116	0.5
119.08569	1.3
121.02821	3.8
121.10126	0.8
127.03896	1.9
131.08519	0.9
133.10077	2.6
137.05954	0.8
145.04930	1.3
145.10074	0.9
149.02312	100.0
149.09622	0.7
151.52425	0.6
165.20401	0.5
167.03406	2.3
173.13123	0.7
176.00151	0.5
186.21941	0.5
190.04910	1.2
191.14272	1.3
205.08568	8.2
221.08025	2.0
224.50494	0.5
277.14310	9.5
295.15567	0.6
299.06210	0.7
303.83716	0.5
312.12320	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	10.7
57.03431	5.3
57.07064	17.5
59.04975	1.7
60.08134	1.0
61.31535	1.0
65.48585	0.8
67.05484	13.2
69.07056	21.3
69.35155	4.4
69.35577	3.6
71.04955	1.9
71.08615	13.7
73.06547	1.1
74.87154	1.0
75.04442	1.9
79.05471	6.0
81.06577	1.3
81.07037	20.8
83.04952	1.7
83.08602	15.8
84.17617	0.9
84.61821	0.9
85.06534	1.1
85.10162	10.3
86.09660	3.0
87.04417	1.1
89.06003	3.9
93.07030	8.4
95.08586	24.0
97.06508	4.3
97.10149	13.4
99.08044	1.9
101.06056	1.0
103.03905	1.8
104.10688	4.8
105.06938	0.9
107.08578	6.8
109.10134	10.7
111.08049	4.6
111.11684	2.9
119.08578	1.6
121.10121	11.5
123.11670	5.0
124.99989	1.9
125.09621	2.8
125.13213	1.1
133.08545	2.9
135.11673	11.0
137.13246	1.1
139.11136	3.8
142.73035	1.0
149.13214	6.7
153.12675	2.2
163.14798	3.5
167.05510	1.3
167.14236	1.5
177.16350	1.6
184.07288	10.1
191.18159	1.1
193.36029	1.0
195.17346	1.0
203.11551	0.9
216.56866	0.9
244.60764	0.8
265.25208	2.0
267.53427	1.0
289.28723	1.9
299.06097	2.6
307.29962	2.3
317.28348	1.7
335.29318	3.1
339.28958	2.7
371.26840	1.2
371.31497	16.8
409.33054	24.3
427.34100	22.3
444.60785	1.0
483.36835	11.3
501.37759	100.0
502.37936	2.9
536.36707	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	536.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02967	1.3
55.05504	36.2
57.03442	11.1
57.06786	2.9
57.07067	44.0
59.04981	5.5
60.08149	6.3
61.02921	8.3
67.05499	49.4
67.30547	1.3
69.03421	1.9
69.07059	63.4
70.63598	3.2
71.04991	4.6
71.07365	2.7
71.08620	31.3
73.02910	2.0
73.06553	1.8
73.75879	1.3
75.04477	3.7
77.76149	1.4
79.05486	20.5
81.07045	62.7
83.04994	2.3
83.08608	58.1
83.09114	2.9
84.08147	2.6
85.02903	5.1
85.06550	1.9
85.10170	19.5
86.09699	23.9
87.04453	5.0
89.06017	16.8
91.05849	2.9
93.07034	27.8
95.08595	65.1
97.02882	2.0
97.06518	14.0
97.10160	34.1
98.98460	2.8
99.08082	3.0
103.03948	7.0
104.10726	24.0
107.08580	20.6
109.10139	33.1
109.10847	2.8
111.08083	9.9
111.11712	11.7
113.09665	1.7
113.27121	1.3
119.08566	1.6
121.10128	54.4
122.10411	1.5
123.11677	11.5
124.99989	19.3
125.09614	4.5
125.13279	3.7
127.03881	1.3
130.08624	3.7
130.88667	1.3
133.08572	9.5
133.10086	1.8
135.11676	39.2
137.13257	5.4
139.11147	5.5
149.13235	17.4
151.14807	5.7
153.12704	4.0
157.12265	1.4
163.14806	8.0
165.16383	5.8
167.05556	5.7
177.11241	4.0
177.16356	4.1
184.07315	75.4
191.17973	3.6
205.19453	1.8
225.04280	1.9
227.19975	1.8
247.24179	43.5
248.24641	1.8
258.41751	1.5
265.25238	100.0
266.25537	1.9
274.56229	1.5
283.17056	2.2
283.26294	20.5
299.06018	13.3
313.27478	1.7
328.06268	1.4
335.29459	1.9
339.28891	95.1
340.29248	3.9
344.97522	2.0
357.29947	35.2
358.30118	1.7
359.03351	1.5
371.31482	11.1
409.33112	21.6
427.34021	12.7
483.36816	7.4
495.16782	2.7
501.37927	56.2
518.36200	2.8
536.37183	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	536.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	17.7
57.03431	10.5
57.07069	23.8
59.04998	1.6
60.08156	2.9
65.85111	1.1
67.05492	22.0
69.07056	28.7
69.58067	2.9
69.58475	4.9
71.04967	1.6
71.07344	2.0
71.08617	17.7
76.91294	1.0
79.05482	6.9
81.07038	29.6
83.04967	2.7
83.08144	0.8
83.08603	22.6
85.06533	2.2
85.10151	8.7
86.09689	10.7
89.06033	2.3
91.05849	1.5
92.23196	1.3
93.07027	9.7
95.08587	32.5
97.06499	7.7
97.10150	15.3
98.98418	1.8
100.11253	4.8
104.10760	1.6
107.08567	10.3
109.10140	15.3
111.08060	4.5
111.11702	4.4
113.05993	1.2
115.07585	1.4
119.08525	1.1
121.10113	15.9
123.11668	5.8
124.99977	7.2
125.09624	4.2
125.13264	1.4
131.07057	2.0
133.10132	1.9
135.11679	12.6
137.13266	1.9
139.11172	3.6
149.13225	8.0
153.12764	1.9
163.14853	3.7
167.05516	3.2
167.14340	2.4
177.11147	1.6
177.16406	1.9
181.15790	1.3
184.07307	36.5
191.17886	2.3
198.08904	4.0
257.59082	1.3
268.97366	1.1
283.03088	1.4
289.28922	2.9
299.06183	5.0
307.29721	2.5
317.28400	1.7
318.53677	1.1
335.29370	4.2
339.29001	1.4
353.30453	1.3
359.93768	1.1
371.31473	19.9
379.11554	1.1
409.33081	18.4
427.34155	25.8
483.36691	23.4
501.37769	100.0
502.38489	1.9
536.37164	1.9
538.78064	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05006	1.0
56.53997	0.4
56.80790	0.5
60.08154	5.9
63.65087	0.5
67.05484	0.6
69.48702	0.7
69.49108	3.3
70.06561	0.5
71.07355	3.0
79.05469	0.5
81.07043	0.8
86.09691	29.5
88.07450	0.4
91.05756	1.5
93.07027	0.7
95.08552	0.8
98.98444	3.2
103.24629	0.5
104.10712	2.7
104.47073	0.4
109.10120	0.8
121.10079	1.1
124.99069	1.0
124.99982	18.3
133.10127	0.5
141.30113	0.4
142.48833	0.5
167.05554	1.4
184.07304	100.0
185.07672	0.9
220.19072	0.4
283.02930	0.7
299.06015	3.2
344.97330	0.7
500.31097	0.7
518.32220	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	536.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	1.7
56.05014	1.1
57.07064	3.2
57.89533	0.5
58.06577	1.2
59.04979	1.8
60.08154	16.1
63.16828	0.5
67.05475	1.9
69.07045	2.3
71.07365	5.0
71.08623	3.7
71.52048	0.8
79.05466	0.9
81.07029	2.0
83.08598	1.3
85.10152	2.3
86.09689	47.7
87.04427	0.6
89.06012	3.9
91.05764	2.2
93.07038	0.9
95.08582	2.2
97.10160	1.0
98.98453	3.3
104.10723	99.7
109.10083	0.6
117.09116	0.5
121.10117	1.1
124.99979	28.9
130.08621	0.7
133.08586	2.2
135.11612	0.7
155.25107	0.6
163.01540	1.0
167.05548	2.3
175.62787	0.5
177.11212	0.6
184.07306	100.0
258.10910	1.2
265.25208	1.1
299.06046	3.8
309.22916	0.6
339.29001	1.3
353.30484	1.6
415.04086	0.8
518.35852	8.0
536.37122	46.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01840	0.8
55.05490	1.9
57.03415	2.4
57.07055	0.8
61.02901	1.4
67.05489	1.5
69.03408	9.0
69.07050	0.8
69.45177	4.7
70.06580	5.8
71.01334	1.0
71.04964	0.9
72.08125	1.6
73.02899	4.7
79.05466	2.2
81.03393	1.7
81.07035	6.3
83.04960	1.0
84.04471	1.4
84.08141	4.8
85.02889	38.0
85.06548	0.9
86.09686	1.0
87.04443	4.7
91.05446	4.1
93.07017	2.8
95.04935	2.1
95.08584	3.2
97.02876	8.6
97.06475	1.0
99.04436	0.7
103.03968	0.7
105.07014	8.9
107.08564	2.7
109.02850	1.7
109.06499	3.6
109.10132	4.9
110.07113	0.9
115.03920	5.7
115.05453	1.1
117.06966	2.7
119.04972	1.0
119.08560	13.6
120.08073	1.5
121.06474	1.1
121.10106	3.9
122.05979	0.8
123.07998	0.8
123.11679	35.0
125.05959	2.6
127.03890	2.3
128.06166	0.9
129.06976	0.8
130.07770	1.0
130.08614	4.2
131.08554	2.6
133.04926	5.3
133.06456	4.5
133.10075	1.0
136.07552	1.5
136.57947	0.6
137.05949	2.0
143.08484	0.8
145.04918	2.3
145.10101	13.2
146.08128	1.2
147.04424	1.0
147.07980	2.6
147.10487	1.3
147.11656	21.3
149.09589	2.9
150.05460	2.0
151.07495	1.7
156.09299	4.8
159.08025	1.5
161.09560	0.8
163.05977	1.4
163.07492	1.0
165.12711	1.0
167.07018	0.9
171.11664	2.8
174.10394	1.0
177.05394	1.6
179.06898	1.1
189.12708	100.0
189.52231	0.7
190.12987	0.7
191.92073	0.7
193.44841	0.8
198.11191	0.7
207.06505	0.7
207.13773	32.8
225.14804	12.8
239.11720	0.7
241.07039	1.1
259.08127	1.8
277.09250	1.0
287.05420	0.8
288.05768	1.7
295.10165	3.0
308.08795	0.9
319.27173	0.8
321.16974	1.6
325.11911	1.8
433.91708	0.9
468.96313	0.7
492.17471	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	3.3
55.01859	2.9
55.05495	7.3
56.05000	1.8
57.03411	2.5
67.05491	7.1
69.03413	8.8
69.07059	15.8
69.35529	1.2
70.06567	6.3
71.04987	7.1
72.08130	1.9
73.02898	1.6
78.04728	1.4
79.05480	13.4
81.03381	2.3
81.07045	13.4
83.04966	37.2
83.08593	1.7
84.04459	4.0
84.08116	4.6
85.02892	9.4
85.06525	2.2
86.09676	2.8
87.04467	1.7
91.05436	13.1
93.07019	15.1
95.04968	12.5
95.08575	7.4
97.02841	2.8
97.06512	33.5
99.04426	10.6
101.05982	2.5
103.05453	1.9
105.07008	35.7
107.04951	8.2
107.08563	12.3
109.02831	1.5
109.06506	14.4
109.10120	2.5
111.08076	2.4
117.05460	1.6
117.06990	6.1
119.04923	6.0
119.08559	11.6
121.06485	21.9
121.10096	5.0
123.03574	1.3
123.04395	6.5
123.08031	2.7
123.11704	1.3
125.05968	51.3
127.03845	2.9
129.05446	4.0
129.06990	2.5
130.04973	3.1
130.07779	2.7
130.08630	5.8
131.08530	12.3
133.06441	6.3
133.10088	13.3
135.04350	2.1
135.08012	4.4
135.11662	3.6
137.05940	12.1
137.09560	1.6
139.07501	6.0
141.01767	1.9
141.06915	2.5
143.07013	41.0
143.08521	4.5
144.09308	2.4
145.04881	2.3
145.06474	5.9
145.10094	56.4
146.08157	2.1
147.07991	2.1
147.11665	7.8
148.05957	2.0
149.05978	2.7
149.13177	1.3
151.07539	8.4
152.09332	1.5
154.07700	2.5
155.08501	3.5
157.08563	4.4
157.09924	1.6
158.07224	5.9
159.08000	5.0
159.11670	20.3
161.05994	2.6
161.09569	6.9
161.13298	2.0
163.07474	1.6
163.11156	25.8
167.07010	100.0
169.10086	6.0
171.07889	1.7
171.11690	2.1
172.08830	3.2
173.09584	47.4
175.14737	4.7
177.04089	1.9
177.12720	8.1
179.07008	3.7
179.08446	2.5
179.10655	3.1
181.08522	1.7
181.12180	2.1
187.11147	36.3
189.09036	2.5
189.12720	5.2
191.10628	16.6
192.06464	4.5
193.08505	3.5
197.09627	8.5
205.12206	33.0
207.13766	5.1
209.11658	4.8
211.09578	5.4
211.17003	1.7
215.10628	49.5
223.13258	4.0
225.11099	1.6
227.12808	1.9
233.11691	54.6
233.14073	2.7
251.10136	2.4
251.12756	38.0
253.17990	1.7
257.01642	1.3
269.13864	7.0
269.16714	1.5
287.05569	3.1
288.05762	1.9
293.13843	2.7
299.06070	2.8
307.15308	4.1
321.13513	1.4
325.16412	28.2
326.12363	2.4
343.17319	6.4
452.05081	1.6
501.19656	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	536.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76293	0.7
57.07054	2.0
61.81795	0.8
68.66225	0.8
69.48672	3.4
69.49097	3.1
71.08593	1.6
73.04743	11.6
73.87063	0.8
75.02678	1.0
79.02161	0.8
81.07069	0.9
85.10145	0.8
91.05780	49.3
93.03656	0.9
93.07024	1.1
95.08612	1.0
98.20740	1.4
107.08639	0.9
114.07358	7.9
115.07584	0.9
149.04482	6.7
167.05518	49.7
190.07082	4.6
223.06319	3.6
225.04225	10.1
227.02246	2.6
229.00085	1.1
239.09453	10.5
266.07211	0.9
266.99884	9.8
268.97876	1.4
281.05023	4.9
283.02975	15.3
285.00827	1.7
297.08066	1.1
299.06104	100.0
322.07718	3.8
335.66284	1.3
342.99609	1.6
344.97635	17.7
359.02838	7.3
362.98544	1.2
367.98953	1.7
415.03549	15.7
423.61975	0.9
426.96680	0.8
491.46146	1.9
503.10638	10.3
535.48889	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91270	0.9
53.03920	1.4
55.01848	2.9
55.05503	6.1
56.05015	1.7
57.03411	3.4
57.07053	1.1
58.99574	13.8
59.04965	1.1
65.03919	1.4
67.05503	6.1
69.03418	8.6
69.07034	4.0
69.73202	5.2
70.06573	14.3
71.04962	2.9
72.08128	3.1
73.02872	2.3
74.00632	1.2
74.09745	1.1
76.02213	79.8
76.03979	3.8
77.03983	0.9
79.05466	8.5
80.04990	1.4
80.05785	1.0
81.03401	23.2
81.07043	12.8
82.06561	1.2
83.04970	6.8
83.08607	7.7
83.15185	0.9
84.04488	18.4
84.08112	5.9
85.02879	10.0
85.03989	2.7
85.06499	2.3
86.06047	1.0
86.09697	5.0
86.99026	3.5
87.04462	14.8
88.02230	2.5
88.03983	1.4
89.05997	2.8
91.05444	10.7
92.05792	1.0
93.07014	7.1
95.04955	12.3
95.08591	5.4
97.02876	7.4
97.06504	3.3
97.10134	1.9
99.04422	2.2
99.08070	1.0
101.05982	1.0
102.05521	1.7
103.05444	1.1
105.01810	1.3
105.06989	9.3
107.04941	2.0
107.08570	10.5
108.07983	1.1
109.02831	1.2
109.06507	6.6
109.10125	2.5
110.07142	2.2
111.08082	5.1
111.11685	1.5
113.05968	2.4
115.03886	3.7
116.01654	18.6
116.07076	1.4
117.06948	1.2
119.08570	7.2
120.08070	3.4
121.06471	1.9
121.10117	7.5
123.08044	6.4
123.11665	2.6
124.07623	1.0
125.09596	2.2
127.03854	2.4
129.06935	2.8
129.10245	1.6
130.04982	13.4
130.08601	3.2
131.04541	1.2
131.08553	4.3
133.04958	5.8
133.08565	2.2
133.10109	5.1
135.08009	1.1
135.11586	1.2
136.07550	1.1
137.02350	2.0
137.05942	4.8
137.09584	2.6
137.13260	1.4
138.05473	1.1
141.04674	1.1
142.03162	6.8
144.01103	11.8
145.02808	1.3
145.04930	2.1
145.05969	1.6
145.10072	2.9
146.08093	2.6
147.04333	1.3
147.07967	1.2
147.11649	8.1
149.09575	8.4
150.05450	1.4
150.07564	1.7
151.07526	4.9
151.11151	1.1
157.10080	3.4
161.05943	1.9
161.09550	1.0
162.02174	40.2
163.07471	1.3
163.11162	1.8
165.12706	7.8
167.05508	1.3
167.06999	1.6
167.10667	2.9
168.06430	1.1
170.02682	3.1
171.11646	1.0
175.03825	2.0
175.07465	0.9
175.11206	5.2
177.03244	5.6
177.05417	1.9
179.04814	72.6
179.14258	3.1
180.06456	1.3
183.13768	3.2
185.03685	1.0
187.05290	3.3
189.12759	4.4
193.12202	16.0
198.57338	1.0
207.06519	1.3
207.13745	23.3
209.07915	1.4
211.13240	27.3
215.04793	2.0
225.14807	6.9
231.04192	1.1
233.05888	15.1
233.08080	1.7
245.05850	4.0
268.13501	1.4
286.14789	1.4
290.07993	1.8
291.06323	2.0
294.13461	1.0
294.16867	1.6
299.06003	1.3
302.22180	1.0
303.04868	1.2
308.09042	100.0
309.09244	1.0
375.43240	1.0
389.17224	1.9
390.12585	1.7
442.79028	1.2
445.10803	1.0
518.21387	2.4
518.28833	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.6
55.01859	5.3
55.05497	10.9
57.03151	1.3
57.03426	23.7
57.07058	1.3
58.99369	1.1
59.04987	1.2
65.03926	1.4
67.05493	35.2
69.03416	6.6
69.07056	15.5
69.55631	3.8
69.56055	3.5
70.06554	1.9
71.01344	17.6
71.04971	5.7
72.08148	0.9
73.02909	22.9
73.35426	0.9
75.04464	3.9
79.05478	22.6
81.03408	2.6
81.07041	93.1
83.01324	3.5
83.04968	9.6
83.08613	6.8
84.08115	1.0
85.02891	40.9
85.06525	5.6
86.09691	1.4
87.75491	0.9
91.04890	1.7
91.05462	34.8
93.07027	22.1
95.01311	18.1
95.04955	8.1
95.08587	23.3
95.72825	0.9
97.02874	7.5
97.06494	9.6
97.10145	1.7
99.00799	4.0
99.04457	2.9
99.08068	7.0
101.02370	8.5
103.03926	5.4
103.05466	1.8
105.07010	46.0
107.04949	1.8
107.08575	20.3
109.02847	2.0
109.06490	9.2
109.10117	5.1
109.44301	1.0
111.04411	1.8
111.08080	2.9
113.02341	14.5
113.06001	3.4
117.07011	1.8
119.04890	2.3
119.08558	34.8
119.46821	0.9
121.06495	1.5
121.10116	24.2
121.12568	1.0
123.00805	1.7
123.04431	1.2
123.08064	5.4
123.11683	29.9
125.05943	1.0
125.09579	1.5
127.03899	3.2
127.07525	3.1
129.06990	3.8
131.03366	8.0
131.08557	4.0
133.06427	1.2
133.10123	6.7
135.11664	1.8
136.07521	1.0
137.05978	4.1
137.09592	6.1
137.13231	4.0
138.09921	2.4
141.01796	25.5
145.10130	3.2
147.04404	5.2
147.11659	92.4
148.12042	1.4
149.05956	1.3
149.09622	1.7
151.03868	1.3
151.07510	1.3
151.11201	1.2
157.10115	6.3
159.02910	4.1
159.11681	1.2
161.05931	1.0
163.11191	1.0
165.12714	49.2
167.07043	5.5
169.05009	1.2
173.09599	1.2
173.13309	1.6
175.11171	6.1
177.05478	2.9
183.13799	8.2
187.06035	1.1
193.12239	9.2
197.04454	1.7
211.13312	4.5
215.05467	5.3
229.14297	30.8
230.03329	1.0
233.06268	2.1
265.66534	1.0
267.15863	100.0
268.16217	1.9
285.16901	78.3
286.17358	1.2
319.22772	2.5
337.23819	2.9
338.24060	3.9
341.15384	1.3
341.19534	25.1
341.23419	1.9
359.20547	47.1
406.70694	1.0
407.17044	1.3
425.18045	3.9
443.19308	2.3
453.98392	1.0
517.22864	5.4
535.16046	2.4
535.23792	34.6
535.44043	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	534.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	3.8
55.01856	3.5
55.05502	21.9
57.03435	7.8
57.07064	11.4
61.02910	2.8
65.03937	2.9
67.05493	97.3
69.03418	11.3
69.07053	30.3
70.58846	4.4
71.04962	3.4
71.08609	7.6
73.02885	1.9
79.05059	2.0
79.05480	28.2
81.03406	15.7
81.07041	100.0
83.04952	5.2
83.08602	17.3
84.08140	1.4
85.02881	12.6
85.06509	3.5
85.10160	3.4
87.04456	1.3
89.06001	2.7
91.03936	2.0
91.05466	23.5
93.07024	38.4
95.04953	4.0
95.08591	79.0
97.02859	10.7
97.06500	6.9
97.10153	12.5
99.04440	4.1
99.08068	4.6
103.03928	1.4
104.10755	1.7
105.07011	20.1
107.04935	1.4
107.08572	25.6
108.04411	1.7
109.02855	3.1
109.06470	1.6
109.10138	37.3
111.04402	3.5
111.08080	4.3
111.11713	2.8
113.09618	3.0
117.07012	4.8
119.08556	17.7
121.06532	2.2
121.10120	23.4
122.41528	1.1
123.08102	1.3
123.11679	19.2
125.09587	2.2
127.03905	4.8
127.11152	1.8
129.05481	2.3
129.06967	3.0
131.08534	8.3
133.06421	1.5
133.10104	16.2
135.11656	11.0
137.09634	2.3
137.13235	7.8
141.12817	1.3
143.08533	3.6
145.04919	4.5
145.06503	1.3
145.10066	5.4
147.11642	12.6
149.02298	1.4
149.13196	8.7
151.11108	2.0
151.14833	3.5
155.14265	2.0
159.11653	3.9
161.13234	11.4
163.14792	9.3
165.12759	2.0
165.16383	4.9
169.10031	1.9
171.11559	1.8
173.13181	2.3
175.14798	7.9
179.14217	2.7
179.17903	3.6
184.07301	3.7
185.13333	1.6
187.14760	1.5
189.16348	4.4
191.14218	1.7
193.12231	1.8
194.27884	1.5
195.13779	1.6
197.13202	1.6
199.14763	2.3
201.16466	2.2
203.17892	1.3
211.14816	1.7
215.14139	1.7
217.15839	2.0
227.18039	2.1
227.20055	8.5
243.21312	1.8
245.20032	1.6
245.22589	32.0
261.22086	4.9
263.23654	61.7
265.25150	1.4
273.18387	1.7
273.21838	1.7
277.14246	2.7
279.23099	3.5
281.24707	1.4
287.23532	1.5
291.23026	5.1
293.24661	5.5
295.15411	2.0
299.23343	1.6
303.23090	4.1
305.24661	5.7
315.23187	2.0
317.24661	4.4
321.23999	2.5
329.24753	2.5
333.24109	2.2
337.27301	23.1
343.26212	2.6
347.25687	3.3
353.24658	9.5
355.28226	2.2
361.27472	1.9
371.25754	28.4
389.26797	24.4
407.27856	27.9
414.86911	1.4
425.29001	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.2
55.05501	18.5
57.03416	4.8
57.07066	11.8
61.02901	4.7
67.05491	65.0
69.07056	22.3
69.76675	4.0
69.77084	2.0
71.04965	2.4
71.08601	4.7
72.36159	1.2
73.21237	1.0
79.05478	17.8
81.03352	1.6
81.07041	86.6
83.04958	1.1
83.08601	20.4
85.02890	4.4
85.06517	3.0
85.10147	2.6
86.09695	2.7
88.42183	1.1
91.03909	1.6
91.05463	13.6
93.06485	1.6
93.07027	24.3
95.08589	71.8
97.02859	3.1
97.06511	6.0
97.10153	11.4
99.08051	2.6
104.10727	8.4
105.07014	9.3
105.78215	1.1
107.08576	15.8
109.10135	38.1
111.08028	3.3
111.11699	4.7
113.09618	3.0
119.08545	11.2
121.10116	20.7
123.11679	17.8
125.09586	2.5
125.13212	1.5
127.11140	2.4
133.10117	14.4
135.11687	13.0
137.09529	1.2
137.13237	7.9
139.11169	1.6
141.12756	5.3
147.11646	11.7
149.13234	8.5
149.98714	1.2
151.11165	1.2
151.14792	7.0
155.14307	3.3
161.13226	14.9
163.14796	11.1
165.12738	1.4
165.16316	9.7
166.61055	1.0
167.14148	1.3
175.14789	10.6
177.16376	2.6
179.14310	1.7
179.17923	6.8
181.15770	1.5
184.07288	4.1
189.16382	4.2
192.46002	1.2
193.15778	1.4
203.17776	1.8
217.19531	2.1
237.52724	1.0
245.22604	68.8
247.10986	1.1
263.23648	100.0
265.25293	2.1
281.24713	2.6
337.27292	62.9
338.27454	1.4
355.28336	11.9
499.32513	4.1
534.29486	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	534.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.8
55.01855	1.2
55.05500	1.0
56.05015	1.3
57.03407	1.3
59.04995	5.9
60.04509	1.0
61.02897	0.6
65.03915	1.5
67.05485	2.3
68.05007	0.7
69.03407	2.8
69.07043	1.8
70.02965	0.7
70.06571	5.4
71.04969	1.9
71.53465	1.4
72.08131	2.4
73.02901	1.9
73.06523	1.8
79.05479	1.8
79.57479	0.6
81.03397	1.8
81.07035	2.9
82.06564	2.1
83.04946	1.1
84.04493	1.8
84.08126	15.6
85.02883	3.8
85.06519	1.5
86.06052	1.7
86.09693	2.1
86.52399	0.7
87.03915	1.3
87.04451	29.4
89.06010	66.8
91.05454	2.0
91.90995	0.6
92.04977	1.0
93.07033	2.6
94.06551	3.5
95.04948	8.4
95.08578	1.2
96.05284	1.2
97.02876	1.6
97.06532	0.6
99.04426	2.5
100.07604	6.9
102.05521	0.6
103.03918	100.0
103.07572	2.3
105.06993	2.9
107.04916	0.8
107.07046	3.5
107.08572	2.2
109.02840	1.2
109.06516	1.6
109.10098	1.5
110.06040	1.2
111.04457	0.6
113.06069	0.8
116.10709	2.6
117.09102	1.4
119.04916	1.3
119.07017	0.9
119.08518	1.4
120.04453	0.8
120.08109	0.9
121.04955	1.5
121.06457	1.1
121.08598	2.2
121.10136	1.6
122.05999	0.7
123.04407	0.7
123.08041	0.8
123.11687	0.9
127.03867	2.3
128.07037	3.0
130.08607	26.2
131.07013	7.9
131.08490	1.2
133.08575	47.3
133.10152	2.5
134.05997	1.0
134.10457	1.3
135.08047	1.1
135.11656	0.8
136.07549	8.4
137.05969	3.5
137.09549	0.9
138.05452	1.9
144.06555	1.6
145.02817	0.8
145.04939	1.3
145.10086	1.1
146.08099	6.1
147.04384	1.3
147.06487	10.0
147.07623	0.8
148.05984	1.2
150.05464	0.8
153.09068	2.3
154.09515	0.9
161.05975	2.0
161.09550	0.8
162.05472	18.4
162.06749	0.9
163.05870	1.1
163.09634	2.3
164.07079	0.9
166.07210	1.5
167.07019	3.7
174.13545	1.0
175.09676	5.3
176.03372	13.1
177.05490	2.1
177.09637	1.3
177.11180	19.6
177.12665	1.2
178.05005	1.1
179.07047	0.7
185.10759	0.8
188.03401	1.3
191.09099	8.9
191.10603	1.1
191.14259	1.4
192.14629	1.8
203.06941	3.1
205.12152	0.9
206.04504	0.8
207.06534	1.7
207.12198	3.9
209.10332	0.9
209.15315	4.7
210.15628	3.7
211.08723	0.8
215.10478	0.7
219.12236	1.6
221.13773	3.5
223.08777	0.9
225.10146	1.3
227.16420	0.8
233.11661	1.0
235.11728	8.4
237.10378	0.8
237.13300	0.9
238.11224	0.7
239.14891	0.9
245.12852	1.0
252.15805	0.8
253.09772	1.1
265.09732	1.5
265.16333	0.9
267.07425	0.8
269.09286	0.7
270.05289	0.9
271.05585	1.4
271.10706	1.5
272.11542	1.5
276.85675	0.7
279.07690	0.9
279.14362	2.0
281.09152	1.2
283.17432	1.8
285.07532	2.5
286.07819	4.7
290.12360	2.4
293.09219	1.3
294.10001	2.1
295.10699	1.4
297.15436	1.5
297.18878	1.3
299.10266	2.0
307.07095	2.2
311.10388	1.5
313.11835	0.9
315.20810	0.8
321.08627	1.0
323.17148	1.5
327.20255	1.1
329.11334	5.2
337.16415	1.0
339.09583	8.2
339.13379	0.8
341.11426	1.2
349.08115	1.6
367.09229	2.9
367.19275	0.8
371.22952	0.8
374.64673	0.6
383.22580	0.8
384.14230	0.7
385.10190	13.2
385.20749	1.2
386.10504	1.2
411.22348	0.7
415.25589	0.9
420.22147	2.6
471.28156	2.0
473.25912	2.1
486.14102	0.7
490.15988	3.0
499.27542	1.4
516.27905	1.0
517.20789	0.8
517.28528	17.2
534.31390	3.5
535.19263	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.0
55.05489	1.5
57.03415	3.4
58.99564	0.9
59.04991	41.4
59.08914	0.7
59.70680	0.9
61.02926	1.9
67.05492	1.0
69.03437	4.5
69.07050	1.0
69.89996	1.4
69.90277	4.9
70.02946	0.9
70.06573	9.1
71.04965	1.9
72.08137	3.9
72.70090	0.9
73.02905	1.3
73.06533	1.0
74.06056	1.0
77.77563	0.8
79.05457	1.2
81.03400	2.7
81.07078	1.1
82.05800	0.8
82.06544	1.5
83.04969	3.0
83.08623	0.9
84.04485	2.9
84.08142	5.1
84.53723	0.9
85.02889	8.5
86.09692	5.5
87.04463	3.2
89.06017	100.0
91.05465	2.6
92.39128	0.8
93.07024	1.7
95.04969	1.6
95.71482	0.8
97.02892	4.1
99.04436	1.3
100.07596	1.8
102.05520	1.9
103.03919	1.1
103.05432	0.9
103.07557	3.1
105.07028	2.3
107.04909	0.9
107.07047	4.2
107.08569	1.2
109.02850	2.5
109.10130	1.1
110.07151	1.8
113.05966	0.9
116.07072	1.1
117.09127	3.2
119.04930	2.2
120.08093	1.6
121.10114	1.2
123.69308	0.9
127.03883	3.4
129.05505	1.0
129.10210	1.4
130.05008	1.6
130.08621	4.7
131.04947	0.9
131.08595	1.2
133.02794	0.8
133.08585	50.7
135.08041	1.1
136.07547	3.2
137.02396	0.9
137.05960	8.3
139.03792	0.9
142.08597	1.3
145.02838	2.1
145.04901	1.6
146.08107	3.3
147.04385	3.5
148.05927	1.3
151.07521	7.9
151.09615	4.7
154.59045	1.1
161.05966	2.6
163.07487	1.0
165.05374	1.0
167.07019	2.8
170.66150	0.9
176.03426	1.4
177.05334	4.2
177.11176	10.1
179.06889	1.4
187.07430	1.0
189.09120	1.2
191.07132	1.0
191.10661	2.9
191.12691	1.1
195.12286	2.4
203.06976	7.0
205.12230	1.2
221.13805	2.2
233.11679	2.4
239.14853	67.3
269.10220	1.0
272.09457	1.3
287.05533	2.5
297.19019	31.0
309.18350	0.9
315.05081	1.5
328.21057	2.0
339.09741	1.2
355.23193	72.6
356.23544	1.0
357.13138	1.4
372.23724	1.9
384.12976	1.1
387.14734	1.0
534.29401	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	534.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.9
55.01848	2.9
55.05500	10.4
57.03404	2.8
57.07053	2.7
58.72467	1.5
61.02915	1.9
61.10677	1.5
67.05491	11.8
69.03417	13.6
69.07056	17.8
70.06554	3.5
71.04982	8.7
71.54362	1.8
72.08115	2.3
72.40088	1.4
73.02892	3.8
79.05473	17.7
81.03397	11.8
81.07040	26.4
83.04951	5.9
83.08581	5.0
83.55269	1.4
84.04449	1.7
84.08105	3.4
85.02886	34.9
85.06514	5.2
86.09677	2.8
87.00806	4.2
87.04443	3.4
91.05454	23.0
93.06462	2.8
93.07023	41.2
94.07367	1.6
95.01286	1.5
95.04967	9.1
95.08042	2.6
95.08582	31.5
96.08894	2.6
97.02878	17.6
97.06483	2.9
97.10150	2.9
98.03231	2.9
99.04437	10.2
99.08081	7.8
100.07594	1.7
103.03906	15.7
103.05462	2.9
105.01820	3.0
105.07007	54.1
107.04919	2.0
107.08578	35.9
108.08916	1.8
109.02852	6.8
109.06486	5.6
109.10134	18.2
110.10482	1.9
111.04386	3.6
111.08052	1.7
113.09574	2.2
117.06989	4.8
119.04898	1.8
119.08556	65.9
120.08070	2.0
120.08890	2.4
121.06449	4.1
121.10117	15.3
123.08035	5.0
123.11709	8.3
124.08343	1.9
125.09588	4.4
127.03876	31.9
127.11166	8.3
128.04129	1.5
130.08606	1.9
131.04828	1.6
131.08546	13.1
133.06456	1.9
133.10095	63.3
135.08035	5.9
135.11655	33.7
137.05986	7.6
137.06873	1.8
137.09601	7.0
143.08492	4.2
143.10617	3.2
145.04948	18.5
145.10071	16.3
147.04327	2.7
147.07883	2.0
147.11653	57.5
149.05869	1.7
149.09566	6.6
149.13217	7.1
151.11130	1.9
153.12773	1.8
157.10062	3.4
159.08017	3.0
159.11656	10.8
160.12137	1.7
161.09595	1.6
161.13188	2.9
162.07643	2.1
163.05983	20.6
163.11169	2.2
163.14749	2.5
165.12692	4.3
167.06960	4.1
167.10620	3.9
171.11606	2.1
173.13226	10.2
175.14787	100.0
176.15005	1.5
177.05421	3.1
185.13193	3.4
187.14781	2.6
191.14258	10.8
192.14630	9.6
193.15839	18.2
194.16173	1.6
203.14211	4.1
209.15297	3.4
213.12642	2.0
215.14288	1.4
215.17909	20.1
231.13724	6.7
233.15291	2.2
233.18967	16.5
249.14824	2.2
251.16258	3.2
251.19943	7.0
267.15863	4.3
271.08121	1.8
289.09134	2.3
301.21350	2.1
305.17474	7.0
307.10135	15.2
319.22623	7.0
323.18439	8.7
337.23660	2.4
341.19339	1.7
387.11371	1.4
534.18964	1.8
534.26422	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	534.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.3
53.03936	0.8
55.01859	0.4
55.05501	1.1
57.03418	0.5
57.84671	0.2
59.04989	0.2
65.03922	0.4
67.05495	0.6
69.03418	2.7
69.52000	0.2
69.93143	0.6
69.93560	0.4
70.06593	0.6
71.04984	0.5
72.08138	0.3
73.02906	0.2
74.06081	0.2
75.04456	0.9
75.33395	0.2
77.03922	0.4
77.14333	0.2
79.05479	4.9
81.03400	3.4
81.03851	0.3
81.07034	1.4
83.04983	0.2
83.08617	0.5
84.08119	0.4
85.02893	1.3
86.09686	0.2
87.04463	0.3
91.05460	4.0
91.05994	0.3
91.75396	0.2
93.07025	21.5
94.07346	0.2
95.04961	1.4
95.08595	0.7
96.33743	0.2
97.02884	1.0
97.06506	0.5
99.04439	0.5
100.11243	1.7
103.05491	0.3
105.04513	0.5
105.07006	2.8
106.48894	0.2
107.08577	3.8
109.02861	1.6
109.06513	0.4
111.04423	0.4
111.08072	0.7
119.08574	0.8
121.01505	0.2
121.06477	0.6
121.10121	20.0
122.10451	0.3
123.08031	0.8
123.11707	0.3
127.03895	0.8
131.08534	2.0
132.04425	4.5
133.07547	0.2
133.10176	0.3
134.10425	0.2
135.08072	0.2
139.11160	0.4
145.04890	0.3
145.10103	0.4
149.09593	10.8
157.07547	0.3
158.26492	0.2
160.03926	0.4
163.03880	0.2
167.10645	1.7
170.39061	0.2
173.09637	0.3
177.05421	0.3
178.04962	52.2
179.05309	0.8
182.15353	0.5
187.11270	0.2
191.76427	0.2
201.06531	0.2
206.04445	100.0
207.04764	1.4
209.16458	0.7
210.14912	0.4
215.10565	0.3
229.61432	0.2
233.11690	0.4
243.04016	0.2
293.13763	3.7
311.14853	3.7
321.45160	0.2
325.76135	0.2
329.15671	0.2
361.45142	0.2
516.18542	8.8
517.18323	0.3
534.43652	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.6
53.80471	0.5
55.01859	1.4
57.03422	1.9
59.76901	0.4
61.02913	2.8
69.03425	4.0
70.06584	0.9
70.96429	0.7
70.96750	0.7
72.08102	0.6
81.03395	2.2
84.08142	1.1
85.02892	19.6
88.70196	0.4
88.90130	0.5
91.03937	0.8
91.05462	4.0
95.04929	0.8
97.02886	4.4
99.04435	1.2
102.67595	0.5
105.07020	0.7
107.04926	3.5
109.02852	2.2
109.06493	0.6
112.26754	0.5
119.04104	0.9
119.04925	13.5
121.02829	0.7
123.04408	6.8
127.03928	2.7
129.05417	0.5
130.08583	0.7
131.04913	2.3
133.02855	3.1
133.06499	3.2
135.04401	0.8
137.05954	83.6
145.04984	3.8
145.06108	0.6
147.04384	100.0
148.04701	1.2
149.05942	1.3
152.57260	0.6
159.04387	1.4
161.02296	3.7
161.05957	5.7
165.05452	12.8
171.04428	1.5
173.06058	0.5
175.03935	0.8
177.05432	1.1
179.03438	2.2
179.07002	49.4
180.07211	0.6
187.03806	3.7
189.05447	14.3
199.03865	4.3
202.85564	0.5
205.04907	1.9
208.89941	0.5
217.04924	22.9
227.18823	0.6
235.05893	0.6
245.04524	0.6
259.05942	1.3
263.05463	37.1
276.09811	0.6
279.08405	0.5
287.05457	0.6
305.06503	3.9
323.07553	84.3
337.09030	0.8
341.08582	3.3
355.10196	13.2
481.05609	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.4346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.2
55.05503	18.1
57.07051	6.7
59.04982	2.1
64.06282	1.7
65.03927	2.3
67.05496	25.1
69.07049	22.5
71.04996	2.3
71.12418	4.6
71.12766	2.3
72.21973	2.2
79.05479	19.7
81.07043	84.4
83.04955	3.9
83.08598	7.9
85.06525	14.6
91.05470	16.4
93.07029	43.0
95.04925	2.3
95.08591	68.5
97.06521	2.6
97.10142	8.2
99.04433	9.1
101.05997	4.2
105.07011	44.2
107.08576	63.4
109.06489	4.7
109.10136	41.7
111.11706	3.6
116.38290	1.8
117.07008	5.5
119.08558	45.2
121.10128	44.5
121.10869	1.1
123.11685	17.9
127.07536	7.0
127.19787	1.9
129.06987	2.2
131.08568	13.1
133.10107	29.5
135.11668	25.3
137.13249	5.7
143.08563	6.3
145.10083	21.2
147.11647	28.9
149.09579	4.7
149.13234	30.3
157.10114	13.2
158.82256	1.9
159.11665	34.9
159.12917	3.8
161.13213	22.8
163.14838	16.0
167.10629	6.4
169.10086	2.7
171.11685	7.2
173.13251	17.8
175.11179	5.1
175.14816	16.0
177.12694	2.9
177.16304	3.8
183.11697	3.4
185.13197	7.4
187.14796	15.7
189.12819	2.2
189.16338	9.5
193.12195	7.0
195.13814	2.6
197.13298	2.2
199.14807	9.1
201.16391	14.6
203.14572	3.0
203.17949	9.7
211.14799	3.9
213.16403	9.7
215.17918	12.3
217.19460	11.6
225.16315	3.7
227.17926	8.9
229.19508	4.4
231.21069	6.3
241.19502	2.7
243.20924	2.9
253.19681	2.9
255.21063	5.1
257.22665	8.5
261.18445	3.2
263.19833	2.7
269.22711	4.3
275.20157	3.3
281.22537	2.9
283.24033	2.7
285.25766	3.7
297.25623	4.9
315.23297	3.1
325.28839	2.6
393.35217	2.7
409.30606	3.0
515.42084	2.6
533.43384	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15191	0.5
53.03933	2.7
55.01861	3.5
55.05497	2.0
57.03186	0.6
57.03427	7.9
57.07063	0.4
59.04986	1.5
61.02602	0.7
61.02911	10.3
62.16865	0.4
67.05506	2.6
69.03417	30.4
69.06676	0.6
69.07051	9.9
70.06567	1.2
71.01342	0.6
71.04980	4.9
72.08136	0.5
73.02911	4.3
79.05477	3.2
81.02928	0.8
81.03401	13.4
81.07050	5.6
83.01321	1.5
83.04957	2.1
83.08607	2.2
84.08134	1.5
84.48335	0.4
85.02888	100.0
85.06494	1.0
86.09649	0.8
87.04456	4.4
91.03936	5.7
91.05463	4.4
93.07015	5.4
95.04943	7.8
95.05496	0.9
95.08585	5.9
97.02873	34.5
97.06512	4.0
97.10151	0.6
99.04438	6.9
101.02348	0.7
103.03947	1.2
105.07018	5.3
107.04947	1.0
107.08575	8.2
107.32455	0.5
109.02862	11.1
109.06507	5.1
109.10136	2.4
111.04410	1.5
111.08060	0.9
113.05962	0.6
115.03901	1.7
116.03461	0.5
117.06997	1.0
119.04916	0.7
119.08559	6.1
121.06484	4.1
121.10109	4.6
122.07282	3.9
123.04398	0.8
123.08042	18.4
123.11707	1.5
127.03889	28.7
128.04263	0.7
129.06966	0.5
129.10188	0.7
131.08553	1.8
133.10089	7.0
135.08026	29.6
135.11650	3.9
137.05952	1.5
137.09581	1.9
143.08522	0.6
145.04930	39.6
145.10071	1.6
147.04430	0.7
147.08026	1.5
147.11665	3.9
148.08823	1.3
149.09590	2.8
149.13235	1.6
151.07516	0.9
151.11192	0.7
153.09074	0.6
157.10085	0.6
159.08063	0.6
161.05966	0.7
161.09541	1.1
161.13089	0.6
163.05984	5.9
163.11185	0.9
163.14793	1.5
165.12723	22.5
167.07053	1.0
171.06497	2.2
173.13196	1.7
175.14810	5.3
176.11958	3.2
177.05511	0.7
177.12624	0.6
179.07019	0.6
189.07547	3.2
189.12778	0.5
191.14265	86.0
192.14641	0.9
193.15839	13.1
203.17908	0.8
207.13742	3.3
209.15315	19.1
211.14804	0.7
229.59627	0.5
288.42682	0.5
289.09064	0.7
302.34167	0.5
309.17023	1.4
325.11023	0.8
327.17746	0.7
335.18375	0.6
353.19617	4.1
371.20551	12.3
515.24921	0.5
533.25818	47.0
534.25830	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.7
54.30720	0.5
55.01864	8.4
55.05497	2.3
57.03429	7.5
59.04706	0.8
59.04991	11.0
61.02927	0.8
67.05487	2.0
68.05017	1.5
68.70710	0.5
69.03413	4.3
69.07053	2.3
69.63791	3.3
70.06578	5.7
71.04980	2.5
72.08137	0.7
73.02905	100.0
73.06532	0.6
74.06055	0.9
74.09708	1.4
79.05480	2.1
81.03393	3.2
81.07048	4.9
83.04974	2.4
83.08590	1.3
84.04486	0.9
84.08117	2.6
85.02892	15.4
85.06538	2.2
86.06056	0.7
86.09706	2.5
87.04456	4.9
88.02160	0.8
89.06017	33.1
89.52114	0.5
91.03956	3.2
91.05453	4.2
92.93860	0.5
93.07034	6.2
95.04951	3.7
95.08596	3.3
97.02883	5.6
97.06522	1.6
97.10197	0.6
99.04437	42.3
101.06009	2.3
103.03926	16.4
103.04567	1.1
103.05460	0.7
103.07565	1.4
105.07011	4.5
106.07305	0.8
107.04935	1.0
107.07053	1.6
107.08571	4.0
109.02867	4.3
109.06505	2.1
109.10145	2.2
111.08092	1.9
113.05978	9.9
114.05542	1.4
115.03947	1.5
116.10693	0.6
117.05475	33.1
117.06866	1.2
119.04923	1.3
119.08581	5.1
120.08096	1.3
121.06511	1.3
121.10129	3.1
123.04381	0.6
123.08091	1.2
123.11694	1.3
125.05932	0.7
127.03893	11.5
127.07553	1.0
129.05426	0.7
129.06993	0.6
129.10271	0.7
130.08598	3.1
131.07021	51.5
131.08617	1.5
132.07364	0.7
133.06499	0.7
133.08585	23.1
133.10066	4.0
135.08028	1.6
135.11652	1.0
137.05936	4.1
140.94055	0.6
142.08693	0.6
142.21512	0.6
143.07034	1.0
143.08513	0.8
145.04939	7.4
145.10114	2.1
146.08124	1.2
147.04425	1.7
147.06474	0.9
147.08025	1.6
147.11656	3.0
149.07971	0.6
149.09610	1.6
151.07526	0.9
151.11177	0.7
152.07101	0.7
153.09079	1.7
157.08594	3.5
157.09828	0.6
159.06499	0.8
159.10275	0.6
159.11661	0.9
161.05943	0.9
161.08113	4.7
161.09427	1.0
161.13211	0.7
163.06007	7.5
163.07445	0.8
163.11168	0.8
165.09142	1.7
165.12755	2.1
167.07080	1.6
169.10345	0.6
171.10187	0.7
171.11563	0.6
173.13222	1.3
173.93863	0.5
175.07466	0.6
175.09694	3.2
175.10994	0.7
177.05435	1.6
177.11209	8.9
183.10158	0.9
185.13243	0.6
187.06006	0.8
187.07576	0.7
189.11208	7.9
189.12753	1.0
191.10751	0.8
191.12837	0.6
191.14241	2.9
201.11102	0.7
203.09192	0.9
205.07007	0.9
205.10725	2.1
209.15332	4.1
213.16420	1.1
219.12276	1.0
221.13722	2.6
222.03961	1.1
227.16425	2.5
239.14900	1.3
249.13390	2.1
249.18529	1.2
279.12463	0.7
283.17456	1.9
293.15930	1.0
297.13354	0.7
297.19022	0.9
303.05539	0.5
307.10114	1.5
327.20062	11.6
327.23801	0.7
367.23254	1.5
370.22168	0.6
371.14774	1.2
385.24399	2.2
392.81033	0.6
399.22385	1.5
401.09933	0.7
439.25446	1.5
441.12140	0.6
497.29678	0.7
515.30627	2.4
532.21442	0.8
532.33588	2.8
559.96100	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	1.4
55.01843	2.0
56.04994	0.5
57.03428	2.3
59.11716	0.4
61.02915	3.7
67.05469	0.5
69.03416	8.1
69.07053	0.7
69.98350	1.1
69.98756	1.6
70.06583	5.9
71.04967	1.5
72.08124	2.0
73.02886	1.3
81.03399	4.1
82.06538	1.5
83.01336	0.5
84.04470	1.3
84.08125	7.4
85.02885	31.2
86.06038	0.7
86.09690	4.4
87.04444	1.3
91.03932	1.5
91.05463	0.7
97.02287	0.7
97.02870	11.5
99.04436	1.5
100.07579	1.8
100.27576	0.5
102.05486	0.5
103.05427	0.7
107.04877	0.7
109.02851	3.2
109.09041	0.5
110.07117	0.6
111.04434	0.6
112.07581	1.1
116.07079	1.1
117.03341	1.0
119.04924	0.7
121.06521	0.5
127.03883	7.8
128.07031	0.9
129.10190	1.1
130.05003	0.4
130.08612	11.0
131.04865	2.7
135.04382	0.6
136.07556	0.6
137.05908	3.4
140.07019	0.5
141.07341	0.4
144.06541	0.7
144.07994	1.2
145.02818	3.1
145.04947	7.6
145.06091	0.4
145.08459	0.5
146.03604	1.9
146.08084	6.0
147.04340	1.1
149.05864	0.9
150.05505	0.7
153.05428	0.8
157.02739	0.6
159.04367	2.6
161.05936	6.3
162.07632	0.9
163.03888	5.4
163.07532	1.4
165.05418	0.7
171.04367	0.5
175.07512	1.4
176.04655	0.7
177.05434	7.7
179.06920	0.9
180.08650	3.8
180.10005	0.7
180.39093	0.5
187.03900	3.7
189.05482	2.1
191.03391	4.2
191.06990	2.2
201.05431	2.0
202.02577	5.4
203.07008	2.7
205.04982	0.6
207.06442	0.8
208.09694	1.1
209.04448	0.6
215.03360	3.3
217.04910	100.0
218.05251	2.1
219.06499	7.8
228.04230	0.5
229.04890	5.7
229.08505	0.6
230.01938	0.5
231.06406	1.1
233.04376	2.3
235.06081	0.8
243.06456	2.9
245.04395	13.2
247.05965	9.2
255.06587	0.5
261.07510	0.6
263.05554	0.7
271.05872	0.6
273.07492	1.3
275.05469	11.5
293.06488	24.6
305.06491	23.0
307.08096	0.4
317.06464	1.8
335.07529	10.5
353.08597	32.0
370.11273	4.4
371.10193	0.6
416.23578	0.7
532.31891	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	530.4408
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58057	2.4
55.05489	10.5
57.03433	11.8
57.07067	30.4
65.03898	2.2
67.05497	36.4
69.07063	21.7
70.03865	2.2
71.04976	7.0
71.08623	22.7
79.05471	6.1
80.18225	2.4
81.06587	4.7
81.07045	70.0
81.48882	2.1
83.08588	10.2
85.06535	12.8
85.10174	14.9
87.04452	25.1
91.05467	5.7
93.07019	4.6
95.08591	76.5
97.10147	4.5
105.07030	5.7
109.10122	7.5
119.08555	4.5
123.11649	4.5
137.13213	3.2
147.11681	10.1
165.12801	3.4
183.13795	3.6
201.14862	5.4
257.17450	100.0
313.27304	89.7
313.30145	1.6
329.71265	2.4
495.40402	68.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95897	2.4
55.01854	7.9
55.05502	39.7
55.25341	2.4
57.03423	17.8
57.07055	7.6
59.04985	7.3
67.05494	100.0
69.03412	2.9
69.07060	24.7
71.04971	6.3
71.08601	7.4
73.02895	9.3
76.89437	2.5
79.05480	40.5
81.03416	16.3
81.06582	4.7
81.07041	76.3
83.04962	8.5
83.08599	26.6
85.02898	12.7
85.06523	3.2
85.10163	4.8
87.04447	14.9
89.06008	7.8
91.05472	29.7
93.07036	45.5
95.04945	8.3
95.08591	27.1
97.06506	10.6
97.10178	18.4
98.21301	14.7
103.03927	4.4
105.07028	12.9
107.08557	31.2
109.06505	2.9
109.10135	38.4
111.08026	8.3
113.09633	2.7
117.06981	10.2
119.08555	9.1
121.06426	3.7
121.10110	14.1
123.11701	2.9
125.09599	17.0
129.05432	3.8
131.08539	10.7
133.08611	3.3
133.10106	15.2
135.11635	14.8
145.10112	3.9
147.11668	6.4
149.09642	3.9
149.13168	13.9
153.12727	3.9
154.58214	2.6
158.71500	2.7
159.11662	9.2
163.11163	9.2
173.11670	16.0
177.12657	4.9
191.10674	3.2
195.13777	23.7
199.13251	10.8
209.11696	8.5
213.69835	2.5
227.12740	6.3
229.14301	47.0
229.58720	2.9
267.15839	4.9
269.17438	60.4
283.15363	3.7
301.16324	17.5
339.73566	3.2
369.54169	2.8
393.21454	2.8
393.26260	3.6
411.27502	5.2
423.27628	21.3
495.29495	19.6
501.93958	3.0
513.30603	18.9
530.38947	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83037	3.0
53.03928	11.3
55.01863	9.4
55.05497	26.7
57.03411	9.4
57.07063	29.1
59.04982	14.9
59.89987	3.2
61.02920	5.9
65.03934	4.9
67.05492	88.1
69.03414	42.9
69.07058	32.1
69.91582	18.1
71.04972	9.5
71.08621	23.0
73.02897	6.7
73.06537	15.6
79.05051	6.4
79.05473	75.2
81.03400	49.1
81.06577	6.8
81.07040	100.0
83.04965	11.3
83.08618	18.2
83.24234	3.1
84.08156	4.4
85.02897	35.1
85.10152	15.9
87.04444	12.3
89.06017	27.8
90.60770	3.5
91.05463	61.8
93.06470	5.6
93.07027	85.4
95.04945	12.8
95.08584	66.0
97.02861	24.4
97.06511	11.8
97.10138	7.6
98.81421	3.1
99.04433	9.0
99.08131	3.5
101.05984	8.8
105.07022	48.2
107.04939	9.8
107.08575	46.9
109.02843	15.7
109.06488	8.1
109.10134	28.1
111.04428	16.7
111.08054	9.3
115.05433	7.1
117.06992	29.3
119.08549	42.2
121.06484	4.5
121.10125	34.8
123.04424	3.5
123.07990	5.5
123.11678	10.9
125.09598	4.9
127.03891	22.1
128.06155	6.4
129.05417	6.0
129.06972	16.2
131.08548	38.5
133.06487	4.3
133.08612	20.1
133.10098	41.8
135.08028	10.2
135.11649	21.7
137.13200	4.6
143.08533	12.6
145.10094	33.2
146.85637	3.5
147.08008	7.8
147.11691	25.1
149.09595	5.6
149.13248	12.6
153.09076	5.0
155.08528	10.5
155.49861	3.7
157.10080	15.5
159.08064	4.3
159.11667	27.1
161.09637	5.3
161.13220	14.5
162.98726	3.4
163.11198	5.4
163.14777	7.0
169.10139	10.7
171.08086	5.7
171.11662	15.4
173.09601	4.9
173.13235	14.0
175.11185	7.2
175.14822	9.3
177.12706	5.9
183.11687	8.1
185.09608	3.4
185.13235	16.5
187.11169	4.2
187.14763	6.6
189.12723	7.8
193.12161	4.7
197.13237	6.0
199.11127	6.7
199.14774	6.5
210.37024	3.7
213.12653	5.3
225.16298	4.2
227.14224	4.5
243.21199	5.8
259.20697	9.3
261.22101	11.9
273.22119	4.9
275.20178	3.8
277.21664	8.4
285.21921	4.3
289.21732	5.7
291.23141	5.9
301.21494	6.7
303.23099	23.2
308.80920	3.6
309.22110	4.4
313.21555	5.1
313.27274	14.7
315.23178	9.8
319.22711	3.7
327.23080	9.0
341.24683	8.8
345.24075	7.7
351.23001	18.5
357.24033	6.0
369.24078	40.8
387.25284	45.6
405.26215	49.6
423.27225	15.3
477.31958	8.1
493.90363	4.2
528.33429	3.9
530.38629	7.4
542.08136	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	530.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79396	0.4
56.05034	1.6
59.60188	0.4
67.05499	0.9
69.03394	0.5
70.06577	1.4
71.53792	0.7
81.07030	1.0
84.08129	53.8
84.22186	0.4
85.02898	0.6
85.08464	0.4
86.09682	0.5
91.40500	0.4
93.07005	0.7
95.04959	0.4
105.06995	0.5
108.89038	0.5
116.07095	1.1
119.08529	0.6
130.08618	100.0
137.05984	0.6
143.92204	0.4
149.05925	0.4
213.42998	0.4
338.32019	0.5
341.10168	0.7
351.21573	0.5
383.24487	0.5
390.86523	0.4
408.16025	0.5
417.02570	0.4
467.67740	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.5
55.05496	0.5
56.05023	2.3
57.03434	0.5
58.99585	0.5
62.65596	0.4
67.05495	0.6
68.05014	0.8
69.07061	0.8
70.06582	5.9
71.51559	0.9
72.08138	2.1
73.02883	0.5
75.48238	0.5
76.02189	0.5
79.05476	0.5
80.04988	0.6
81.04536	1.2
81.07029	0.7
82.05295	2.5
82.06532	0.5
83.04961	0.6
83.06085	7.4
84.04490	1.6
84.08128	11.5
85.02891	1.7
86.09690	2.9
87.05594	0.5
87.24875	0.7
88.02235	0.8
89.03891	0.6
91.05442	3.3
93.04516	5.5
93.07024	2.2
94.05285	1.5
95.04946	0.8
95.06074	8.8
96.04435	0.4
97.02816	0.5
97.06519	0.5
99.04439	0.5
103.05434	0.6
107.08586	0.8
108.04469	1.1
109.02863	0.4
109.06487	0.8
110.07146	100.0
111.08083	0.7
112.08718	0.9
117.03365	1.7
119.04948	1.7
120.08086	0.9
121.06468	2.2
121.10056	0.4
122.03633	0.5
122.05978	1.0
124.03943	0.9
126.05503	0.6
127.03875	1.0
129.10233	0.7
130.04988	0.6
130.08618	17.6
130.09615	0.8
133.02834	0.8
134.02655	0.6
134.03621	0.5
134.09618	0.9
135.04402	0.7
136.05066	1.8
136.06097	0.7
136.07567	1.8
137.05962	12.0
138.05563	0.5
138.06612	0.9
138.09093	0.7
140.05807	1.6
140.07002	0.5
145.02800	5.2
145.06181	0.5
146.08174	0.8
147.04407	2.8
147.09175	1.4
148.07596	0.8
148.09526	1.6
149.05974	3.6
150.06712	1.5
152.07045	0.5
152.10674	0.5
153.05522	0.5
153.09059	0.5
154.04930	0.9
154.08621	0.9
156.07664	33.4
160.04256	0.5
161.05986	1.7
162.09091	5.4
163.07501	1.1
164.07088	0.7
167.07036	1.0
168.06502	1.1
177.05443	8.5
179.07068	1.3
180.10159	4.7
181.06371	0.7
182.05602	1.0
184.07306	0.9
188.03792	0.5
190.08670	0.9
193.06525	0.5
195.08902	0.8
203.06952	0.7
208.09671	10.3
221.06122	0.6
243.11240	0.5
245.09250	1.0
263.10251	1.6
263.16229	0.6
265.08597	1.2
267.06561	0.5
273.11200	0.9
281.14838	0.9
282.15247	1.3
283.09991	0.6
285.11206	1.8
288.13522	0.6
291.09717	2.0
297.11206	1.2
308.09448	0.8
313.11792	0.9
315.12408	0.6
321.13278	0.9
323.12396	6.6
331.13144	0.6
332.12241	3.4
333.13113	4.9
373.89014	0.5
436.18582	1.4
464.18210	0.6
466.19757	0.9
482.19150	52.2
486.21570	1.7
494.19168	4.4
498.18732	6.1
512.20276	9.5
512.27551	0.5
512.83881	0.5
530.21051	11.2
530.33490	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.409
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63614	0.7
53.03935	1.8
55.01848	3.0
55.05502	47.4
57.03148	1.2
57.03428	24.3
57.07069	46.2
57.53078	0.7
59.04977	1.6
60.50968	0.8
65.03915	1.2
67.05495	51.6
67.79719	0.6
69.07057	62.3
69.24624	3.2
69.25050	4.1
69.71328	0.6
71.04964	2.7
71.08624	30.1
73.06549	1.7
75.04451	4.8
79.05481	18.9
79.48338	0.6
81.07043	68.3
83.04980	4.3
83.08605	46.9
85.06527	3.6
85.10171	15.5
91.05457	3.8
93.07029	25.7
93.07623	1.3
95.04938	1.6
95.08591	61.1
97.06519	13.6
97.10154	35.2
98.20750	1.5
99.08078	1.8
99.11739	1.2
101.06006	1.9
105.07022	1.7
107.08570	18.8
109.10137	31.1
111.08066	8.1
111.11702	10.7
113.06007	1.3
113.09606	0.9
113.13237	0.8
115.07560	1.5
119.08598	1.5
121.10123	25.7
123.11700	11.1
125.09612	5.9
125.13257	2.8
127.14865	0.8
129.09052	1.4
131.07018	3.4
131.08540	1.4
133.10104	1.7
135.11665	23.2
137.13225	4.5
139.11142	6.1
143.10640	1.4
147.11595	0.9
149.13245	12.1
151.14818	2.4
153.12749	4.1
157.12263	1.4
161.13266	0.8
163.14787	6.4
167.14272	4.1
171.13840	2.2
177.16359	4.1
181.15907	2.3
181.59885	0.7
185.15327	1.6
191.17883	2.4
195.17459	1.2
199.16888	1.3
205.19513	2.2
209.19029	1.2
219.21120	1.3
223.20596	2.3
227.19984	1.4
233.22639	1.6
237.22098	1.7
249.22089	1.6
251.23691	1.4
255.23228	0.8
263.23761	1.1
265.25336	1.2
267.36896	0.9
317.31924	4.5
327.30545	2.4
335.32977	9.2
345.31503	9.3
363.32526	28.5
381.33670	2.8
399.34631	68.4
400.35205	1.5
437.36169	48.6
455.37250	63.9
456.37512	1.1
511.39832	24.1
529.40918	100.0
530.41461	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.4091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.7
55.01849	3.3
55.05500	45.7
57.03429	20.7
57.07065	54.0
59.04991	5.0
65.03916	1.8
67.05492	54.3
69.03416	1.5
69.07054	66.5
70.60481	0.8
71.04973	4.2
71.08219	1.6
71.08617	31.8
73.06559	1.9
75.04461	7.3
79.05478	22.2
81.03378	2.1
81.07038	68.2
83.04954	3.9
83.08601	46.4
83.09102	2.4
85.06532	4.6
85.10162	17.6
87.04463	3.0
89.06013	4.0
90.06367	1.2
91.05449	5.6
93.07025	27.7
95.04967	1.9
95.08590	72.9
97.06512	13.9
97.10150	35.6
97.10766	2.0
99.08082	2.2
99.11700	2.5
101.06003	2.0
105.07016	3.7
107.08571	22.6
109.10133	33.6
111.08067	7.1
111.11703	12.0
113.05978	1.5
113.09624	1.3
114.36352	1.1
115.07533	1.5
119.08518	2.2
121.10121	31.6
123.11665	14.2
125.09595	8.3
125.13258	2.8
126.10029	1.1
129.09096	1.6
131.07016	3.9
131.08572	3.3
133.08571	2.9
133.10089	2.2
135.11670	23.7
137.13223	4.4
139.11160	8.1
143.10652	1.6
145.10089	2.0
147.20184	1.1
149.13239	11.0
151.14880	1.9
153.12732	4.7
157.12218	1.4
163.14780	7.4
167.14302	3.2
169.49396	0.9
171.13826	1.5
175.14833	1.0
177.16420	4.0
181.15862	3.5
184.81419	1.0
185.15297	1.7
191.17990	1.8
195.17487	2.1
199.16846	2.4
205.19478	1.5
209.18878	2.3
212.00359	1.1
213.18500	1.7
219.21043	1.2
219.31999	0.9
223.20529	2.0
227.20059	1.2
237.22185	1.9
241.21605	1.6
249.22025	1.2
261.25867	1.6
263.23853	2.0
317.32068	4.2
327.30481	2.6
335.33017	11.3
345.31363	10.2
353.34158	1.0
363.27930	1.6
363.32458	31.8
381.33514	2.0
399.34607	69.3
415.40741	1.1
437.36166	53.7
455.37234	66.3
456.37830	1.6
511.39807	22.7
529.40894	100.0
529.48022	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	529.4086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.2
55.01853	2.9
55.05503	60.5
57.03191	2.2
57.03430	32.6
57.07067	66.6
66.29523	1.5
67.05494	59.3
69.03432	1.7
69.07058	78.4
69.23632	10.6
69.24062	7.3
71.04976	2.9
71.08621	36.1
73.06516	3.3
75.04467	11.1
79.05476	23.8
81.07039	85.8
83.04974	4.8
83.08605	61.6
85.06528	4.6
85.10160	23.5
87.97295	1.8
91.05456	3.4
92.93495	1.7
93.07024	32.9
95.08591	84.4
97.06515	15.5
97.09538	2.5
97.10154	42.3
99.08073	2.5
99.11713	3.6
101.06017	2.4
104.52642	1.8
105.06995	4.3
107.08564	26.5
109.10130	35.5
111.08053	11.7
111.11700	11.9
113.05980	3.5
115.07594	2.5
119.08521	2.1
121.10117	34.1
123.11693	14.3
125.09624	7.7
125.13242	1.9
131.07013	5.4
133.10072	2.0
135.11673	26.5
137.13271	8.5
139.11150	10.2
143.10661	2.6
149.13254	17.9
151.14780	3.1
153.12740	6.5
157.12204	2.1
163.14859	7.0
167.14270	2.9
171.13838	2.4
177.16412	7.0
181.15837	3.8
185.15257	3.1
191.17955	4.5
195.17363	2.3
199.16801	3.0
209.18987	2.6
249.22011	2.1
251.23552	2.2
265.25204	2.0
271.46942	1.7
317.31992	6.5
327.30502	2.8
335.33099	14.6
345.31454	13.4
363.32471	45.7
363.36789	3.3
381.33481	2.2
399.34634	88.7
407.49411	1.8
437.36200	60.0
455.37247	82.7
456.37671	2.0
511.39905	41.5
529.40912	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.1
55.01855	2.1
55.05503	13.6
55.22064	0.9
57.03427	2.6
57.07062	8.4
57.33535	1.1
59.04979	3.8
64.86718	1.1
65.03927	2.2
67.05492	43.7
69.07056	13.5
71.04978	2.5
71.08629	6.4
71.54272	2.2
72.08942	1.6
73.02910	1.4
73.06559	1.1
79.05480	33.3
81.03401	3.0
81.07042	50.6
83.04952	5.0
83.08603	8.4
85.06524	3.1
85.10168	3.1
87.04462	3.1
89.06004	4.0
91.05464	22.1
93.07026	40.8
93.07616	2.1
95.04935	5.2
95.08595	24.6
97.06510	4.9
97.10139	1.9
99.08073	1.7
105.07006	14.3
107.08573	20.7
109.06504	2.2
109.10115	7.0
111.08059	3.5
111.11733	1.6
117.07001	8.2
119.08562	9.7
121.10125	15.8
123.08043	1.8
123.11685	3.0
129.06979	2.6
131.08560	12.2
131.09543	1.4
133.08574	1.7
133.10098	9.3
135.11661	9.2
143.08569	4.7
145.10091	7.8
147.11659	5.5
149.02322	1.0
149.13219	11.4
155.08574	1.5
157.10089	3.8
159.11674	8.1
161.13269	1.7
163.14793	1.1
171.11690	2.8
173.13216	5.1
175.14815	1.5
177.12791	1.6
180.58109	1.1
183.11624	1.2
185.13312	1.9
187.14833	2.8
195.12074	1.4
195.13702	5.9
197.13336	1.5
256.26178	2.0
261.22073	2.7
331.80530	1.2
437.33984	4.0
511.37854	2.2
529.38770	100.0
530.38770	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3876
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.4
55.01854	2.2
55.05258	1.0
55.05501	13.2
57.03426	3.3
57.07062	3.8
59.92622	0.6
63.89430	0.6
65.03926	2.3
67.05488	48.0
69.03395	1.4
69.07048	15.0
70.06567	0.6
71.04970	2.5
71.08625	1.3
75.75848	0.6
79.05473	40.7
81.03389	2.2
81.07037	52.5
83.04949	2.7
83.08607	7.8
85.06516	2.4
85.10155	1.1
87.04452	2.8
89.06023	2.3
91.05459	23.3
93.07018	49.3
95.04942	6.4
95.08585	26.1
97.06497	7.0
97.10134	1.6
99.08030	1.5
102.09200	1.0
103.05484	0.7
105.04490	1.0
105.07008	14.0
107.04978	0.9
107.08567	22.4
109.06494	1.7
109.10127	8.6
111.08054	3.7
115.05428	0.8
117.06992	8.1
119.08558	9.3
121.10118	18.9
123.07997	0.9
123.11678	2.2
125.09669	0.9
128.06229	0.8
129.06982	2.7
130.07744	0.7
131.08543	11.3
133.08597	1.0
133.10094	9.3
135.08080	0.7
135.11658	10.2
139.11118	1.1
143.08542	2.6
145.10072	8.0
147.11655	4.9
149.09618	0.8
149.13216	17.7
149.14362	1.1
155.08572	1.3
157.10117	2.5
159.11653	10.8
161.13281	2.8
163.14786	0.8
169.10109	1.3
171.11681	2.4
173.13158	3.6
175.14819	1.1
177.12694	3.4
183.11668	1.3
185.13181	1.7
187.14771	2.0
195.12036	0.8
195.13820	4.7
197.13184	0.6
199.14804	1.0
243.21069	1.3
256.26276	6.8
257.18939	0.6
261.22122	4.4
329.24820	0.7
339.76978	0.6
437.34073	4.3
455.35355	1.4
473.36026	1.3
510.45374	0.7
511.37762	2.6
529.38776	100.0
530.38879	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.4
55.01854	1.3
55.05254	1.2
55.05504	15.0
57.03430	3.9
57.07068	6.7
59.04990	5.5
65.03925	1.2
67.05494	45.6
69.03397	1.1
69.06670	1.1
69.07053	16.7
71.04974	2.4
71.08616	7.1
72.66695	0.7
73.02911	1.2
76.46192	0.7
79.05479	36.0
80.61855	0.9
81.03398	2.6
81.07044	51.6
83.04962	3.4
83.08613	8.9
84.00307	0.8
85.06521	2.7
85.10164	5.0
87.04437	2.8
89.06014	4.4
91.05463	21.4
91.06001	1.5
93.07028	44.0
95.04963	5.2
95.08594	27.4
97.06522	5.5
97.10149	3.1
99.04361	0.9
99.08092	1.8
105.07005	14.5
107.04944	1.0
107.08571	22.5
109.06509	1.8
109.10129	7.9
111.08074	3.3
115.05396	1.0
115.79714	0.9
117.07013	7.3
117.09126	1.3
118.06505	0.7
119.08554	9.3
121.06479	1.3
121.10122	17.8
121.48928	0.6
123.08032	1.4
123.11706	1.9
125.09661	1.0
129.07045	2.1
131.08549	12.7
133.08553	2.0
133.10103	9.7
135.11676	9.7
139.11107	1.2
143.08566	1.7
145.10115	6.4
147.10086	0.7
147.11676	4.5
149.13239	15.2
155.08560	1.4
157.10164	3.0
159.11670	9.6
161.13255	3.3
161.89430	0.7
169.10197	1.5
171.11664	2.3
173.13205	4.2
175.14748	1.6
177.11380	1.0
177.12759	3.2
183.11624	1.6
185.13271	2.4
187.14792	1.4
195.12036	1.4
195.13809	5.4
197.13171	1.2
201.16342	0.9
211.14836	1.2
243.21138	1.3
259.16620	0.8
261.22095	3.9
317.24869	1.0
399.34558	1.5
415.41360	1.1
419.32797	1.2
437.33890	5.8
455.35925	2.6
473.36102	1.2
511.37753	2.5
529.38873	100.0
529.47693	8.6
530.39325	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	4.6
57.03418	2.5
57.07064	60.6
58.04192	10.5
59.04749	2.5
59.04992	29.9
67.05486	12.8
69.07043	6.9
70.91996	2.2
71.08237	5.4
71.08617	100.0
72.05772	14.1
73.02899	5.8
73.06510	11.4
77.84409	2.3
79.05469	7.1
81.03403	3.9
81.07029	11.9
82.07839	3.2
83.08600	7.3
84.08106	2.6
85.10167	57.5
86.07346	3.2
87.04453	27.8
89.06022	39.0
90.01893	51.5
90.79469	2.2
91.05443	3.2
93.07024	5.9
95.08575	7.5
97.10125	4.7
103.07582	12.0
105.07023	4.4
107.08548	3.5
109.10139	4.1
116.08353	5.5
117.09099	12.9
119.08472	3.0
124.12463	5.5
127.14799	7.8
129.05424	4.6
130.08601	2.6
131.07034	3.5
133.08586	19.0
133.10078	2.6
140.77585	2.6
155.14268	6.9
165.10985	2.2
177.11211	5.7
178.07039	6.5
184.18175	6.1
185.18996	14.5
199.53207	2.0
208.15303	2.9
222.09685	13.3
222.16969	5.1
223.15390	4.7
229.21616	6.5
252.17934	4.5
256.26215	3.6
266.12164	2.9
271.16220	3.4
277.43756	2.2
298.27051	2.7
308.92130	2.4
328.16040	8.5
372.18738	3.3
378.32132	13.4
529.38263	21.8
532.88940	2.6
559.37152	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	529.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.0
55.01860	6.9
55.05492	6.7
55.55709	1.3
57.03426	3.0
64.25218	1.4
67.05502	13.6
69.03398	2.1
69.06776	1.3
69.07058	14.6
70.06561	1.3
71.54603	2.2
79.05475	13.4
81.03399	8.7
81.07043	21.5
83.04974	3.4
83.08596	4.3
89.06062	1.6
91.05463	17.8
93.07021	16.8
93.92838	1.3
95.01297	5.5
95.04949	4.6
95.08587	13.2
97.06502	12.3
97.10173	2.3
102.70827	1.2
105.07013	25.2
107.04913	10.6
107.08556	6.2
109.06475	4.3
109.10140	2.9
110.61216	1.3
112.29875	1.3
117.07009	3.9
117.54637	1.7
117.91436	1.2
119.08562	17.2
121.06489	1.8
121.10141	4.7
123.11607	1.7
129.06981	1.9
131.08517	6.2
133.10109	14.6
135.08093	2.4
135.11644	3.9
144.61403	1.5
145.10101	7.5
147.11612	7.4
149.09604	2.4
149.13228	2.7
159.11668	7.1
161.13275	2.5
163.11098	2.5
169.10074	2.1
173.13278	1.6
179.14307	4.9
204.18251	1.4
229.97057	1.5
241.14143	1.6
247.20418	1.6
257.19055	3.0
275.20029	28.0
299.17853	1.4
303.61136	1.5
349.23660	100.0
350.24072	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09238	2.3
55.05501	12.7
56.26435	1.9
57.03422	8.9
57.07051	4.4
59.57603	2.1
64.65411	1.8
65.46293	2.0
67.05493	77.6
69.07063	15.4
71.01327	2.1
71.55185	2.5
73.02882	4.2
75.04485	3.3
78.35062	1.8
78.70702	2.0
79.05474	31.1
81.03415	4.0
81.07043	89.9
83.08604	7.5
84.71581	2.2
85.02907	11.7
89.06071	2.6
90.29716	2.1
91.05468	22.9
93.07029	55.9
95.01318	9.0
95.03572	2.2
95.04962	3.5
95.08591	68.2
97.06507	3.5
97.10142	5.3
105.07022	17.5
105.58308	2.2
107.08583	39.5
109.06517	3.8
109.10134	39.5
111.11658	2.0
113.02346	5.1
117.06953	10.2
119.08566	16.6
121.10124	37.6
123.11703	20.0
129.06982	3.2
130.08653	2.2
131.08557	19.2
133.10109	13.9
135.11659	27.3
137.13251	9.6
141.01839	12.0
145.06567	2.4
145.10106	16.7
147.11636	13.2
149.13220	14.7
151.11153	2.2
151.14810	3.0
157.10150	2.6
159.02817	2.4
159.11681	18.8
161.13225	12.4
163.14796	14.0
173.13191	13.1
175.14806	3.1
177.12718	3.4
177.16335	4.7
187.14781	6.3
189.16400	2.0
195.00237	11.6
201.16507	3.0
201.25758	2.1
219.17407	2.7
233.22551	2.8
243.21092	23.3
259.20639	2.9
261.22095	100.0
279.23102	5.7
313.21445	2.4
317.24533	2.7
326.29376	2.3
335.25690	29.9
337.27325	2.9
338.27267	2.6
353.26801	94.4
355.22528	2.3
431.27615	3.9
470.22913	2.5
475.27179	3.1
493.28403	2.7
511.29147	4.4
529.24335	3.0
529.37866	2.4
539.30957	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.8
55.01862	10.9
55.05262	1.8
55.05505	20.6
57.03430	16.6
57.07057	2.8
59.04979	2.1
61.02917	43.3
65.03936	3.5
67.05493	45.9
69.03418	26.0
69.06676	1.5
69.07053	28.3
69.48754	9.0
70.06573	1.7
71.01326	1.9
71.04990	7.3
71.05302	1.3
73.02907	25.0
77.65554	1.2
79.05486	40.9
81.02966	2.3
81.03406	20.4
81.07043	100.0
83.04965	12.5
83.08609	16.5
84.08167	1.5
85.02894	40.6
85.06525	4.8
86.09698	2.0
87.00797	1.5
87.04434	2.4
89.06004	2.8
91.03931	15.5
91.05463	40.5
91.06010	2.4
93.07030	41.3
95.04955	11.9
95.08590	33.7
95.09171	2.6
97.02879	34.9
97.06517	13.8
97.10155	5.4
98.20751	2.3
99.04426	8.2
99.08077	3.1
101.02363	8.8
103.03928	3.9
103.05482	1.1
105.07012	48.2
107.04926	9.1
107.08574	26.7
109.02883	8.8
109.06495	22.3
109.10140	16.6
111.04436	3.8
111.08058	6.8
113.05959	1.5
115.03897	4.9
117.05486	1.1
117.07015	11.9
119.08562	38.3
121.06476	8.7
121.10120	23.8
121.10936	2.4
122.07161	1.7
123.04429	2.5
123.08073	8.6
123.11677	9.2
125.09610	4.6
127.03894	14.9
128.06174	2.0
128.15961	1.3
129.05537	2.5
129.06989	5.7
130.07729	2.7
131.08542	15.8
133.06511	2.7
133.08574	1.8
133.10097	21.9
135.08064	7.7
135.11664	9.5
137.09590	11.7
143.08525	6.9
144.09261	1.2
145.04892	6.1
145.06471	1.4
145.10089	29.1
147.08009	4.4
147.11670	27.6
149.09604	12.4
149.13194	9.4
151.07562	2.4
151.11186	4.2
155.08517	2.2
157.10081	9.8
159.06587	1.6
159.07999	2.7
159.11659	18.4
161.09564	3.1
161.13243	8.6
163.11145	12.9
163.14803	2.7
165.09125	1.4
165.12698	8.1
169.10106	5.8
171.06551	1.4
171.11664	5.0
173.09602	1.7
173.13220	6.8
175.11188	5.2
175.14821	3.1
177.11351	1.6
177.12753	5.1
177.16263	2.7
179.10509	1.8
179.14365	2.6
183.06525	5.2
183.11656	3.6
185.13300	3.2
187.11166	6.1
189.11253	1.5
189.12775	2.5
191.14282	2.1
193.12206	3.0
195.11690	1.8
195.13728	2.6
197.09569	1.6
197.13219	2.6
199.14787	4.0
201.07541	3.0
201.12759	2.1
203.14229	2.0
204.13751	1.8
205.12158	6.4
207.13754	2.7
209.13254	1.8
215.14359	2.0
215.17984	2.1
219.13747	1.5
227.14354	1.5
229.14290	2.2
229.19524	3.9
239.17912	5.7
246.90039	1.5
247.20590	5.3
249.82350	1.4
255.17381	1.8
257.18939	10.0
273.18506	1.6
275.20016	88.2
276.20343	1.9
283.20615	2.2
293.21075	27.2
315.04929	1.9
349.23682	25.0
365.24557	3.0
367.24725	68.3
368.25388	2.3
383.11121	3.4
391.24982	2.6
407.25638	3.5
437.25146	1.4
475.26895	2.0
493.28018	2.7
511.28580	5.3
529.29797	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	529.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.1
55.01862	1.3
55.05504	0.8
57.03431	3.8
59.04988	0.9
61.02917	2.9
61.53194	0.7
62.84092	0.6
67.05486	1.1
68.05009	0.8
69.03414	14.8
69.07047	1.1
70.06577	8.5
71.01337	1.1
71.04980	3.2
71.06893	1.0
72.08141	1.7
73.02898	3.8
79.05482	0.8
81.03401	4.9
81.07037	2.3
83.04959	1.0
84.04489	1.6
84.08122	2.3
85.02886	16.0
85.06487	0.6
86.09688	10.1
87.04449	2.6
88.02195	0.6
91.05465	1.2
93.07030	1.6
95.04947	1.6
95.08571	1.2
97.02876	8.0
99.04443	3.3
103.05447	0.7
105.04502	0.6
105.06996	1.4
107.04929	0.9
107.08597	1.1
109.02865	2.4
109.06467	0.8
109.10170	1.0
112.07644	0.7
113.03419	0.9
117.05470	1.3
117.07008	0.6
118.06516	1.1
119.08555	1.1
120.08073	2.0
121.06483	0.8
121.10155	1.0
122.06008	1.1
123.04464	0.6
124.90759	0.6
127.03883	4.0
129.10211	1.5
130.08644	1.1
130.10597	0.6
132.08092	0.8
133.10133	1.5
135.11691	0.6
136.07576	1.6
137.05972	1.2
140.07062	1.3
141.12747	0.8
143.11740	0.7
145.04921	1.1
145.07576	4.0
145.10057	0.9
146.06046	0.7
146.08244	0.7
147.04453	0.7
147.08044	0.6
147.09135	13.8
148.53084	0.6
159.07962	0.9
159.09126	5.9
160.09924	0.8
161.09540	1.2
163.07616	0.6
167.06970	1.2
173.10776	1.2
174.05467	1.0
175.08678	1.0
177.05397	0.7
185.10742	1.7
187.08649	0.8
189.10266	3.3
191.08113	74.2
197.10649	1.3
199.12335	0.8
204.06561	1.1
205.12173	0.7
213.10193	1.3
215.08253	1.0
215.11812	1.2
216.07671	11.7
216.09737	1.1
217.09760	1.3
225.10139	0.9
228.13336	0.7
241.06224	0.7
243.11342	1.0
245.09087	1.0
249.11290	1.0
263.13849	8.5
263.16318	0.7
271.10626	1.1
289.11765	5.5
303.16364	0.7
307.12814	63.2
308.13190	0.8
331.17725	0.8
336.12747	0.9
341.21887	1.0
346.14954	0.8
350.13388	70.9
350.38174	0.6
387.11829	0.6
388.16345	0.6
389.13141	0.7
401.15430	0.6
469.18195	1.0
478.62704	0.6
494.17874	0.8
497.20825	2.3
512.18671	100.0
513.18951	1.2
529.24139	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	528.4405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	16.9
57.07075	49.6
59.04994	49.9
62.17849	6.6
66.06149	6.4
67.05478	30.5
68.86893	7.0
69.07050	19.6
69.37349	67.6
70.06560	14.2
71.08614	67.6
72.08928	8.9
73.67031	7.4
79.05473	16.7
81.03429	9.1
81.07056	67.7
83.08588	9.9
85.06568	8.8
85.10177	35.7
86.10444	10.6
87.04443	12.4
88.07600	8.9
89.06001	14.4
90.01933	12.3
91.05442	22.3
93.07020	26.1
95.08586	37.6
97.10173	8.7
99.04420	13.5
103.54722	6.8
104.52550	7.4
105.06991	28.5
107.08607	38.0
109.10126	20.7
117.09123	9.3
119.08558	35.6
121.10114	23.3
123.11676	12.3
127.07470	10.2
131.08519	10.0
133.10117	30.5
135.11661	12.5
145.10135	11.0
147.11658	12.0
149.13234	15.1
159.02394	6.4
159.11682	14.2
161.13223	17.4
163.14810	8.3
173.13301	12.9
189.16342	14.0
214.08086	7.4
227.41849	8.6
244.22786	12.1
272.25787	9.7
283.26270	24.2
311.29333	19.8
416.48459	8.2
528.49677	100.0
529.38464	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	529.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	0.7
53.03942	1.9
53.41597	0.6
54.04751	0.6
55.01858	0.6
55.05497	1.3
57.03433	4.4
57.86000	0.6
58.39283	0.6
59.04997	0.7
61.02928	4.1
67.05495	1.9
69.03421	16.1
69.07063	1.3
69.31706	6.3
69.88592	0.6
70.06583	10.4
71.01347	0.8
71.04976	3.3
71.06904	1.0
72.08134	1.7
73.02898	3.4
74.94505	0.7
77.67979	0.6
79.05474	0.9
81.03404	6.3
81.07034	1.6
83.04964	0.8
84.04504	1.4
84.08124	2.3
85.02891	16.1
85.06509	0.9
86.09695	11.0
87.04448	2.4
88.02208	0.8
91.03911	0.7
91.05450	1.6
93.07029	1.6
95.04932	0.9
95.08594	2.1
97.02885	6.7
98.72311	0.6
99.04440	3.7
101.02351	1.0
105.07014	1.4
107.04923	1.1
107.08569	1.7
109.02872	2.3
110.07109	0.7
115.03946	0.8
117.05512	1.3
119.04951	0.6
119.08538	1.1
120.08120	1.7
121.06493	0.9
121.10123	1.0
122.06036	1.2
122.74692	0.7
123.08001	0.9
124.07583	1.4
127.03905	3.6
129.10275	0.9
130.08626	1.7
133.10136	1.3
135.08054	0.8
136.07555	1.5
137.05981	1.2
140.07085	1.5
141.12715	1.2
145.05014	0.9
145.06625	1.0
145.07570	4.4
145.10086	1.0
146.05975	0.9
147.04367	0.7
147.09154	12.3
152.07063	0.8
159.09146	5.1
161.04753	1.0
161.05992	1.0
162.05524	0.8
167.07054	1.0
173.07166	1.1
175.08693	0.7
177.05505	0.8
181.07555	0.6
185.10747	2.0
187.08580	1.2
187.12379	1.1
189.10208	3.4
190.36166	0.7
191.08127	75.8
199.12437	0.9
199.18135	0.8
213.10222	1.4
215.08141	0.8
215.11772	2.0
216.07663	12.4
217.09705	1.4
225.10265	1.1
242.06274	0.7
249.11163	0.7
263.13904	8.9
263.16458	1.0
275.12860	0.7
289.11661	4.7
307.12839	67.9
314.12177	1.3
324.15457	1.1
337.12994	0.9
350.13409	73.7
354.26242	0.8
392.99231	0.9
469.18018	1.3
488.25146	0.7
497.20703	2.0
512.18695	100.0
513.19086	2.2
529.24994	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	528.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	19.4
56.33857	1.4
57.03425	14.3
57.07054	9.2
59.04996	2.6
60.04516	1.5
67.05494	86.1
67.61156	1.4
68.52509	1.5
69.07064	21.3
71.04986	4.8
71.08603	4.7
71.53505	2.1
71.62802	1.5
71.69135	1.8
79.05487	6.8
81.07043	27.3
83.08608	16.6
85.06506	2.4
89.05988	2.1
91.05457	5.7
93.07036	7.7
95.08591	18.1
97.06480	3.2
97.10166	7.9
101.45473	1.5
107.08569	7.5
109.10142	77.7
111.08075	4.2
111.11707	2.8
119.08540	5.7
121.10096	7.0
123.11735	2.0
135.11670	7.3
137.09627	3.0
149.13174	3.5
149.62726	1.6
155.10602	2.3
173.11700	20.0
199.63731	1.8
226.45575	1.7
229.14311	100.0
265.25284	2.5
283.26309	2.5
339.28873	77.0
493.38849	56.8
528.49664	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	528.41
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.0
57.07067	56.6
59.04697	1.4
59.04992	19.8
67.05490	1.5
69.07060	3.0
70.79600	1.5
70.79967	1.3
71.08621	100.0
73.06547	2.1
77.83317	0.7
79.85493	0.6
81.07037	1.4
83.08618	1.3
85.09409	0.9
85.10169	53.5
87.04459	7.8
89.06016	83.8
91.05484	1.1
95.08559	0.8
97.10162	1.1
100.46344	0.8
103.07571	5.6
107.07072	2.7
117.09123	2.0
126.85438	0.7
127.14816	7.3
130.08650	2.4
131.07040	3.9
133.08582	74.1
135.10139	0.9
141.16417	1.1
161.11682	0.8
175.09720	2.7
177.11197	29.2
184.07370	0.9
185.18983	12.3
195.12318	0.9
200.46547	0.7
219.12456	1.3
221.13799	9.2
229.21638	6.3
239.14857	4.3
273.24417	0.8
283.17441	4.7
309.19150	2.8
327.20081	31.4
332.69556	0.7
367.23068	4.6
371.22739	3.3
385.24637	2.1
511.38348	9.4
528.41742	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	526.4304
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20237	0.9
55.05497	1.3
56.25119	0.7
57.07063	100.0
57.43314	1.0
59.04697	1.6
59.04987	22.3
63.24287	1.0
65.99175	0.8
69.07069	1.8
69.25586	9.1
71.08617	73.1
73.06488	0.9
83.08617	1.9
85.10163	67.1
87.04438	2.4
89.06010	43.3
97.10143	3.5
98.88414	0.8
99.11716	13.1
101.09634	4.0
102.69008	1.0
103.07570	2.1
109.93027	0.8
113.13275	6.2
117.09116	6.1
117.39406	0.7
118.22095	0.7
125.13280	0.9
130.08659	1.5
131.07034	1.3
133.08572	40.4
151.09590	1.3
155.17921	12.6
173.89688	0.8
175.09665	1.3
177.11195	8.9
191.12688	1.9
195.12274	1.1
213.22078	24.6
220.42059	0.8
221.13802	4.6
239.14865	17.0
251.77271	0.9
254.24680	1.9
271.26218	15.4
279.17914	3.9
297.18970	9.9
327.20068	5.5
337.22079	3.2
340.97998	0.9
343.17599	1.0
345.08740	0.8
355.23199	1.5
421.68561	0.9
453.87296	0.8
509.40436	6.9
526.43024	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	527.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	3.0
57.03424	4.3
57.07065	89.6
58.04213	4.8
59.04990	62.4
62.25657	1.6
65.57296	1.3
67.05497	3.1
69.07062	3.2
71.08618	100.0
72.05766	3.7
73.02908	5.8
73.06512	1.7
75.04472	1.6
75.19809	1.5
81.07048	3.5
83.08615	4.7
85.10166	92.1
87.04434	7.9
87.08108	2.9
88.05260	2.0
89.06024	9.7
90.01903	23.0
91.05491	1.5
94.98187	1.4
98.21503	3.9
99.11721	11.2
101.06017	1.7
101.09659	8.4
102.06772	1.5
103.07582	4.1
109.10125	2.3
115.07559	2.3
117.09101	14.2
133.08585	5.0
133.10136	1.9
134.36391	1.4
141.16333	10.8
169.15845	3.1
177.11247	1.7
178.07047	3.2
179.12671	1.9
185.19052	2.9
198.19702	1.7
199.20544	22.7
203.11281	2.0
207.15765	2.9
222.09758	2.5
229.62151	1.7
236.11197	2.0
237.16905	3.6
240.23108	2.3
243.23239	4.0
254.12325	2.1
254.76129	1.5
256.24005	2.0
257.24713	23.9
268.79657	1.3
271.26318	1.5
310.93295	1.5
315.28864	2.3
327.19891	2.1
328.20392	2.8
449.56915	1.5
460.60114	1.6
483.91211	1.5
527.26190	2.6
527.38171	5.2
535.69501	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	527.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27486	0.6
55.05483	2.3
57.03419	2.1
57.07065	100.0
58.04202	4.3
58.07374	1.0
59.04990	35.8
59.21892	0.7
61.56081	0.9
67.05486	1.8
69.07042	2.3
69.51376	6.2
71.08617	77.0
72.05762	3.7
73.02892	3.3
73.06509	1.9
81.07041	1.4
82.07823	1.2
83.08595	3.3
85.10166	63.6
86.07302	2.7
87.04455	5.4
87.08086	2.3
88.05223	1.5
89.06010	7.6
90.01894	18.1
95.08577	1.4
97.10143	4.1
99.11710	14.1
100.08849	1.7
101.05995	2.1
101.09635	3.2
103.07570	1.8
109.10120	1.1
113.13268	5.1
117.09113	7.1
133.08578	2.3
135.11690	0.9
141.16335	1.8
147.10144	1.0
152.15614	2.3
152.43939	0.7
155.17931	10.4
159.10089	0.9
165.11203	1.7
178.07072	2.9
183.17386	3.5
193.14381	2.0
199.20529	1.3
212.21318	3.2
213.22104	14.5
222.09700	9.3
223.15384	1.7
240.10751	4.3
240.13011	0.8
254.24684	1.8
270.25272	1.3
271.26257	10.3
280.13779	1.6
298.14880	3.5
310.68195	0.9
327.20032	0.8
353.95346	0.8
376.34143	2.4
510.36771	1.1
527.38434	4.3
528.48285	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
54.03466	0.9
55.05489	0.7
56.05027	1.0
63.84744	0.6
67.05491	1.6
69.03418	0.8
69.07052	12.1
69.92145	3.4
70.02941	3.2
70.06584	7.4
72.08132	3.1
73.02908	0.8
74.90546	0.6
79.05490	2.0
80.05019	0.7
81.03407	1.3
81.04530	1.3
81.07046	1.7
82.02925	2.6
82.06566	1.0
83.04987	0.9
83.06071	0.7
83.08581	0.7
84.04484	1.4
84.08135	3.6
85.02886	1.8
86.09692	100.0
87.05582	5.1
88.02197	2.1
88.03985	0.7
91.05467	3.0
93.07030	2.3
94.06536	0.9
95.04934	0.7
95.08575	1.7
96.08113	0.8
97.02920	0.8
97.03995	4.4
97.06526	2.2
98.02415	2.6
98.21419	0.7
99.04408	0.9
99.05570	2.7
103.40668	0.6
105.07011	0.9
107.04946	1.3
107.08551	1.5
108.04449	1.5
108.08070	0.7
109.02872	1.2
109.03993	2.4
110.02406	2.8
110.06007	1.0
110.07155	1.4
111.08033	0.7
112.07584	0.9
118.06528	0.9
119.04951	1.1
119.08566	1.3
120.08099	1.3
121.10105	1.1
122.06032	1.3
123.04421	1.0
123.05517	1.3
124.04096	1.0
124.05068	5.6
124.07567	1.6
125.03449	7.0
126.06625	3.3
127.03951	0.7
127.05045	1.2
128.03412	0.6
130.08626	1.2
131.04930	0.9
131.08521	0.7
132.10193	2.1
135.01900	0.9
135.05484	1.1
135.08038	1.3
136.05051	1.6
136.07564	2.1
137.03394	0.7
137.05971	4.6
138.09143	1.5
140.07034	1.6
141.02911	1.0
141.10231	0.9
142.06102	6.7
142.08556	0.8
145.02844	0.9
146.06038	1.1
146.08118	1.1
147.04425	1.9
149.05960	0.9
150.05536	0.8
150.06631	1.9
151.05000	1.6
151.07506	1.1
152.04514	11.8
152.07025	1.1
153.02878	1.6
153.05428	0.8
155.11763	1.5
158.05545	0.9
161.05963	1.6
162.09113	2.5
163.03847	1.0
163.07556	1.6
164.04582	2.0
164.07019	1.5
165.05440	0.8
165.10211	1.5
166.08600	4.2
166.13321	0.7
167.07028	2.0
167.11780	1.1
168.07663	1.0
169.07367	0.8
170.05562	4.6
177.05438	3.2
177.10254	0.7
178.06102	3.3
179.04274	1.0
179.05716	4.6
180.10152	1.4
181.04944	2.9
182.12865	0.7
183.11357	1.2
187.08731	0.7
189.10257	0.6
190.08620	0.8
192.11226	1.5
193.07184	0.9
193.09767	0.9
195.08838	0.9
195.11353	0.7
196.07158	0.8
197.06581	1.3
200.13974	1.9
204.04099	1.3
204.11490	1.4
206.08109	1.0
208.09628	5.2
210.12399	1.4
214.59915	0.6
218.12907	1.6
221.06665	2.5
221.08829	0.6
222.05104	0.9
222.12465	0.8
223.08315	1.8
226.11809	1.5
229.09752	0.8
232.03577	1.1
232.10854	2.0
236.14014	1.0
238.09380	3.1
238.11882	6.6
239.07762	1.8
241.09479	0.8
245.09161	0.9
245.18562	2.6
246.09912	0.7
246.12355	2.7
247.11855	1.5
249.06227	2.2
249.13441	6.3
249.15765	1.0
250.04666	0.9
255.12109	0.6
255.14503	3.3
255.17058	2.4
259.10913	0.9
260.10687	1.5
263.15051	2.4
264.13440	1.9
265.11969	1.1
266.08807	11.6
266.11395	9.9
267.06985	3.4
267.11420	1.0
272.10373	1.0
274.11902	2.2
277.11917	1.0
283.13974	10.4
284.09839	5.1
287.10486	0.8
289.12958	1.2
291.14468	6.8
292.12976	1.4
300.09921	0.6
302.11237	1.2
303.09860	1.2
306.15668	0.8
308.17413	1.0
309.15579	2.9
313.10907	0.9
317.12488	2.4
319.14032	6.1
334.14990	5.4
335.13553	1.9
336.16562	9.1
345.12054	1.6
348.12827	0.7
349.16501	1.5
351.17783	8.6
351.20996	2.7
352.16324	2.7
362.14447	3.4
363.13000	2.3
366.13846	0.9
369.18872	2.0
373.13165	0.6
379.17175	31.9
380.15710	2.6
396.22687	1.0
397.20584	3.2
447.23407	1.0
450.16327	0.9
466.19815	1.6
476.21860	1.2
484.20749	2.8
492.17087	2.5
493.23703	1.5
496.16544	0.9
510.18597	4.6
510.26523	1.2
528.19232	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	526.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51866	0.8
53.03934	1.3
55.05271	1.4
55.05508	17.2
57.03430	12.9
57.07066	7.0
58.07401	1.4
58.81402	0.8
59.05000	5.8
65.03922	2.0
67.05495	100.0
69.06723	1.5
69.07059	17.6
69.79409	1.3
69.79723	5.1
71.04972	3.0
71.08626	3.9
72.08939	1.1
79.05480	9.1
81.07040	44.6
81.25127	1.0
83.04986	0.9
83.08604	14.3
85.06525	3.8
85.10164	3.6
86.10485	0.8
87.04422	1.2
89.06013	9.7
91.05470	13.0
93.07033	11.6
95.04973	1.6
95.08595	32.1
97.06542	1.1
97.10139	3.9
98.21396	1.7
98.46110	0.9
99.08072	1.6
105.07018	4.3
107.08580	7.5
109.10141	68.4
111.08062	2.8
111.11712	1.0
119.08561	7.4
121.10130	4.8
123.11719	4.7
127.04118	0.8
133.08600	7.4
133.10069	4.0
135.11697	2.8
137.09584	4.2
137.13231	1.8
145.10202	0.9
147.11639	3.5
149.13268	1.2
153.12744	1.1
155.10652	3.6
161.13223	2.0
173.11720	18.1
175.14752	0.9
189.16336	1.2
227.12962	1.6
229.14308	98.2
245.22618	1.8
263.23706	4.2
291.70602	1.1
307.55527	0.9
327.19965	8.2
337.27319	97.9
338.27585	2.1
400.77881	0.9
439.09225	1.1
491.37241	78.2
492.37604	3.9
509.38168	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86428	0.8
55.05494	2.1
57.07064	100.0
59.04991	13.3
59.09759	0.7
65.47194	0.8
67.05474	1.1
69.07053	5.1
69.25619	8.2
71.08617	82.3
73.02908	1.0
73.06536	3.5
81.07013	1.1
83.08605	3.5
84.08113	1.9
85.10166	60.5
86.09705	0.8
87.04453	12.2
89.06013	63.6
95.08598	0.9
97.10143	3.2
99.11713	11.8
103.03922	41.7
103.07552	4.7
107.07048	2.8
109.21414	0.8
111.11702	2.1
113.13251	5.6
117.09119	4.2
121.08583	1.2
125.13272	1.0
127.14811	1.4
130.08603	3.7
131.07021	3.6
133.08577	40.9
139.14870	0.7
141.16374	1.4
147.06488	5.1
147.10149	0.9
155.17914	5.7
163.09612	2.6
175.09578	1.1
177.11183	18.6
191.09125	8.4
192.12637	0.9
195.12199	1.6
199.20502	2.0
207.12195	2.1
213.22075	6.3
221.13777	4.6
235.11681	4.3
239.14842	4.2
251.14902	1.7
253.12691	0.8
257.24774	4.1
257.27176	0.8
269.15787	3.9
271.26297	2.6
279.14273	5.8
283.17468	3.4
297.15384	13.9
315.28802	3.1
327.20041	15.2
421.35269	1.0
432.73734	0.8
465.37451	0.8
509.40579	21.4
526.40472	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03905	0.3
55.05471	0.5
62.06053	0.3
67.05483	1.5
68.04996	0.5
68.05769	0.3
69.03387	0.4
69.07056	3.4
70.06554	0.8
70.07382	0.3
72.08104	0.4
79.05449	0.5
80.05011	0.4
81.07000	1.3
83.08580	0.4
84.08073	0.9
85.02819	0.4
86.09661	0.3
90.51870	0.4
93.06993	0.8
94.06543	6.6
95.04900	0.9
95.08540	1.5
96.08916	0.4
97.06491	0.5
101.28204	0.3
104.12362	0.4
107.08471	0.4
108.08056	0.8
109.10052	0.5
110.05966	1.0
110.10384	0.4
111.08035	0.4
112.07549	0.9
115.23744	0.3
116.04909	0.9
118.06499	0.5
120.04398	1.4
120.08059	0.6
122.06001	11.4
123.04382	0.4
124.07520	1.1
132.07997	0.5
134.06000	0.5
136.07520	0.8
137.05916	0.4
138.05418	2.5
140.07036	16.4
142.08499	0.5
144.04474	1.6
146.05986	5.3
147.06734	1.1
148.07454	1.1
150.05490	0.5
150.13454	0.5
152.07024	1.1
162.05400	1.3
164.07030	0.6
164.10641	0.4
166.04935	0.7
167.07053	0.4
168.08139	0.4
172.02553	0.7
172.03908	10.2
173.04613	1.3
174.04094	0.5
174.05473	5.6
175.05949	0.3
176.06955	0.9
180.06424	0.4
184.07465	0.4
190.04942	4.8
191.05733	1.3
191.14035	0.3
192.06456	0.8
192.10051	0.9
197.10631	1.0
198.11394	0.5
199.12225	0.6
204.06517	13.1
206.08090	4.5
208.09793	1.3
209.10640	2.7
210.09029	0.8
210.11255	0.8
211.08578	0.6
211.12239	1.0
212.09309	2.6
213.10242	0.7
214.04771	0.4
216.06255	0.5
216.10135	1.2
218.04393	0.4
221.10777	0.5
222.07748	0.7
222.11401	1.3
223.08430	0.7
223.12152	3.1
224.09306	1.9
224.12938	0.4
225.10164	9.6
225.13651	0.6
226.10878	1.2
229.70422	0.5
233.10680	0.8
234.09044	0.9
234.11366	0.5
235.08621	5.6
235.12233	0.6
235.14320	1.1
236.09329	7.0
237.10178	22.1
238.10970	1.6
239.11714	3.1
241.09581	1.0
241.13109	0.5
243.11253	0.6
244.09508	0.4
248.09457	0.5
249.10161	4.2
250.07101	0.8
250.10985	4.2
251.08037	1.6
251.11745	25.4
252.08868	5.1
252.12384	1.8
253.09642	7.5
253.13220	1.8
254.10489	0.7
255.11185	4.3
261.09988	0.5
261.12317	2.4
262.10913	0.6
263.11703	1.4
264.08768	1.9
265.09662	32.5
266.10385	5.3
267.11218	16.3
269.12762	0.6
277.09625	0.6
278.06519	4.1
278.10452	1.4
279.11172	27.4
280.08740	0.7
280.11920	3.0
281.09485	0.6
281.12741	3.4
282.10022	0.8
283.10736	5.5
284.11346	1.6
285.12262	3.8
286.12964	0.7
287.13736	0.5
289.09668	0.5
291.11200	1.3
292.08173	1.5
293.09161	24.5
294.09949	5.1
295.10699	20.9
296.11157	1.2
297.12265	10.1
298.12964	0.6
300.12189	0.4
303.09750	0.5
306.09830	0.4
307.10696	10.3
308.11288	0.6
309.08731	0.5
309.12241	7.2
310.27829	0.4
311.10150	3.0
312.10938	2.9
313.11752	20.0
314.12375	0.8
324.10950	1.9
325.11761	40.8
326.12369	2.1
327.13324	1.0
331.12811	2.6
334.22714	0.4
335.10165	25.6
336.10721	1.1
337.11703	2.1
341.11096	0.8
341.14804	0.7
345.14380	10.6
353.11234	100.0
354.11746	3.6
355.12936	2.8
357.14456	1.1
363.15509	1.1
367.12695	1.6
369.14288	1.2
371.12415	1.0
385.13861	16.8
386.14517	1.3
387.15265	1.3
426.20169	0.4
434.17105	0.6
448.18539	1.0
450.20294	2.1
452.18210	2.6
453.18820	0.7
466.14023	0.3
466.19656	7.1
476.18155	3.3
494.19116	98.3
495.19540	3.9
498.22382	1.7
508.20319	2.4
512.20203	1.3
526.21783	7.9
543.88147	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92229	0.6
67.05460	0.8
69.07050	3.9
70.06562	1.4
75.81138	0.5
85.02854	0.6
91.05441	0.6
94.06547	7.3
106.34379	0.5
110.05954	0.8
112.07572	0.6
120.04382	2.0
121.05286	0.6
121.41342	0.6
122.06004	8.7
134.05965	0.8
136.07497	0.7
138.05424	1.8
140.07037	15.4
144.04391	1.7
146.05974	4.3
147.06734	1.4
150.05458	1.0
162.05472	1.4
166.04768	0.8
172.03894	7.0
172.47293	0.5
173.04654	0.8
174.05516	5.7
190.04906	4.1
191.05702	1.1
192.06538	0.8
197.10719	1.2
204.06532	8.4
206.08096	3.2
208.09851	1.4
209.10698	1.9
211.12267	1.0
212.09401	2.6
216.10173	1.5
221.10689	1.0
222.07697	0.7
222.11356	0.7
223.12268	3.2
224.09341	2.2
225.10202	8.7
225.13451	0.6
226.10846	1.1
233.10571	0.9
234.09013	1.4
235.08594	4.0
235.12173	1.1
235.14259	0.6
236.09319	6.9
237.10158	22.8
238.10867	2.1
239.11702	3.5
240.12657	0.6
241.09523	0.7
243.11287	1.0
249.10161	4.4
250.07233	0.6
250.10989	4.0
251.08015	1.0
251.11740	26.5
252.08817	4.3
252.12386	1.9
253.09651	7.6
253.13191	1.7
253.77319	0.5
255.11188	4.6
261.12341	2.2
262.11078	0.9
263.11758	2.2
264.08841	1.9
265.09662	29.4
266.10388	5.1
267.11197	17.1
268.11957	0.7
275.12024	0.7
277.09613	0.6
278.06512	3.7
278.10397	1.1
279.11172	27.4
280.09067	0.6
280.11871	3.4
281.09851	0.7
281.12643	3.8
282.10080	0.8
283.10687	4.0
284.11514	1.8
285.12338	3.3
287.14105	0.9
291.11136	1.4
292.08121	2.0
293.09140	23.1
294.09946	4.3
295.10721	20.8
295.96841	0.7
296.11642	0.6
297.12271	9.6
299.13898	0.6
307.10785	7.5
309.12219	7.5
311.10181	2.2
312.10959	3.1
313.11752	21.5
314.12393	0.7
324.10959	2.1
325.11755	33.2
326.12436	2.0
331.12778	2.7
335.10150	25.1
337.11813	2.3
341.11215	0.8
341.15002	0.7
345.14343	6.1
353.11240	97.4
354.11890	3.9
355.12704	2.6
357.14368	1.0
367.12564	0.9
371.12253	1.4
385.13855	15.2
387.15295	1.4
423.70438	0.6
450.20245	2.8
452.18030	2.0
453.18921	1.3
466.19681	4.6
476.18069	2.1
494.19125	100.0
495.19397	2.4
512.20148	1.2
526.21863	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	526.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46154	0.6
57.22830	0.6
67.05456	1.0
69.07061	3.5
69.48534	1.5
69.48940	4.1
73.14194	0.6
90.23457	0.6
93.05766	0.6
94.06001	1.0
94.06538	7.9
98.20787	0.7
110.05955	0.7
118.06507	0.6
118.35021	0.7
120.04398	2.0
121.05208	0.8
122.06003	10.0
123.04413	0.7
136.07549	1.1
138.05418	1.8
140.07040	14.7
143.08250	0.6
144.04378	1.2
146.06001	4.1
147.06677	1.1
150.05479	0.8
153.94788	0.6
154.08568	1.2
162.05437	0.9
166.04932	1.2
172.02725	0.7
172.03900	7.1
174.05505	5.6
190.04996	4.2
191.05699	1.6
192.06544	1.0
196.09862	0.8
197.10664	1.3
204.06514	9.1
206.08040	2.8
208.09737	2.0
209.10777	1.4
211.12248	1.5
212.09329	2.0
216.06464	1.0
216.10075	1.4
222.07780	0.8
222.11423	1.1
223.12241	2.7
224.09305	1.4
225.10156	7.6
233.10709	0.9
234.09181	0.8
234.11331	0.9
235.08597	4.9
235.12294	0.9
236.09357	5.6
237.10179	18.8
238.08621	0.6
238.10884	2.6
239.11723	3.4
241.09727	0.9
243.11165	0.7
244.09669	0.9
244.87883	0.6
249.10129	3.9
250.11057	4.0
251.07991	1.3
251.11761	21.0
252.08844	5.2
252.12547	2.0
253.09694	6.2
253.13223	1.9
254.10748	0.7
255.11270	4.1
261.09906	1.0
261.12384	3.1
263.11707	2.1
264.08810	1.3
265.09683	28.9
266.10391	4.6
267.11215	14.7
278.06549	4.4
278.10443	1.0
279.11182	25.3
280.08838	0.7
280.11774	3.4
281.09769	0.7
281.12628	3.2
282.10046	0.8
283.10645	2.8
285.12360	3.6
286.12915	0.9
287.10275	2.5
287.13663	0.7
291.11337	1.7
292.08090	1.2
293.09137	21.5
294.09872	4.7
295.07315	0.8
295.10721	19.5
297.12274	8.8
307.10690	8.0
309.12299	8.2
311.10211	2.4
312.10910	3.0
313.11737	23.3
313.15372	1.2
324.10950	1.7
325.11777	39.5
326.12259	1.0
327.13168	0.7
331.12939	2.0
335.10165	22.4
335.14157	1.1
337.11694	2.0
345.14404	5.7
353.11249	99.7
354.11859	4.1
355.12665	2.1
369.14395	1.0
371.12308	1.4
385.13901	16.1
386.14218	0.7
387.15500	1.5
450.20145	2.7
452.17996	1.7
453.18906	0.8
466.19760	5.0
476.18115	2.0
494.19144	100.0
495.19293	1.8
508.20767	1.4
512.20630	1.3
526.21906	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	525.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.6
55.01862	3.8
55.05497	18.6
57.03423	4.6
57.07064	8.4
59.04984	3.3
60.04524	2.0
62.59074	2.0
65.03941	2.3
67.05163	2.7
67.05494	30.4
69.03412	10.9
69.07056	48.2
70.06580	8.5
71.01373	2.3
71.04980	6.9
71.08622	4.1
71.54595	3.1
72.08125	2.2
73.02897	5.4
79.05477	18.1
79.31913	1.7
79.83341	1.8
81.03407	7.9
81.07043	100.0
82.07345	2.9
83.04955	5.0
83.08611	22.3
83.26464	1.8
84.08128	6.5
85.02891	18.2
85.06535	20.6
85.10142	1.8
86.09690	6.3
87.04428	2.1
88.02209	4.0
91.05463	18.4
93.07026	42.3
94.06558	3.8
95.04963	10.9
95.08591	74.9
96.08946	2.2
97.02882	7.8
97.06499	14.3
97.10164	10.3
99.04420	2.3
99.08074	29.5
100.07598	3.2
100.08382	2.4
100.11244	11.7
103.05421	3.0
105.03385	2.0
105.07014	24.6
106.07334	2.6
107.04924	6.7
107.08574	44.7
108.08897	2.9
109.02882	4.6
109.06486	6.8
109.10142	67.8
110.05993	2.8
110.10434	2.8
110.22616	2.1
111.04402	4.6
111.08069	12.7
111.11702	9.6
113.09637	4.1
115.05421	2.1
115.07540	3.4
117.07029	4.7
119.04920	2.6
119.08562	15.3
120.04418	3.0
120.08092	4.2
121.02834	3.9
121.06519	5.6
121.10114	30.0
121.23820	1.9
122.02701	2.0
122.06019	3.1
123.04373	2.3
123.08054	5.4
123.11681	48.1
124.03939	3.5
124.12046	1.7
125.09616	9.6
125.13241	2.5
127.03889	7.7
127.07602	2.4
127.11126	3.4
128.07106	2.7
129.06972	3.8
131.04915	4.4
131.08563	6.2
133.06497	2.9
133.10112	16.6
134.10437	2.7
135.08063	6.6
135.11661	24.4
136.07489	2.3
136.11967	2.6
137.05972	15.2
137.09628	4.6
137.13239	17.7
138.05473	3.8
139.07500	2.5
139.11169	5.7
140.07065	10.3
141.01979	1.8
141.12677	2.3
141.66507	1.8
142.07758	2.2
143.08525	4.4
145.04839	2.2
145.10069	12.0
146.06006	7.4
147.04379	3.7
147.08034	4.2
147.11623	14.3
149.09608	3.8
149.13232	36.7
151.07596	4.4
151.11183	3.2
151.14798	5.7
153.09073	2.2
153.12700	7.3
155.98061	2.0
157.10007	2.9
159.08023	3.6
159.11661	10.3
159.54900	2.2
161.09593	4.5
161.13228	7.7
162.07634	4.7
163.07536	5.3
163.11122	5.1
163.14793	8.7
165.05479	1.9
165.09094	4.3
165.12686	2.5
165.16432	2.0
167.06998	6.1
167.08345	2.2
167.14293	7.6
169.10036	2.3
171.11623	2.6
172.03926	2.6
173.09593	2.4
173.13251	6.1
174.05431	2.1
175.07462	2.8
175.14864	3.2
177.05396	4.3
177.16351	7.7
179.07092	2.7
179.17982	3.3
181.12151	3.0
182.15387	8.3
183.11615	2.2
187.11174	2.4
189.10193	5.8
189.12708	2.9
191.17993	3.7
193.15881	5.8
194.16212	5.7
195.16566	2.1
197.13170	2.1
202.10890	1.7
203.17809	2.2
204.06552	2.8
205.19456	24.1
209.16486	2.2
210.14905	9.7
215.10703	2.6
215.17900	2.2
217.09619	5.5
217.19487	5.7
221.18935	4.5
223.13254	5.9
223.20534	46.4
225.10098	3.1
235.20493	3.8
236.09364	3.4
237.10133	8.5
238.10567	3.3
241.21579	9.8
250.10822	4.1
251.11752	7.0
251.20062	2.9
252.12199	4.1
253.09630	2.9
253.21495	2.4
257.18979	4.9
259.20749	2.3
265.09698	9.1
266.09949	4.8
267.11288	5.2
273.25647	6.2
279.11084	7.5
279.26776	4.2
280.11594	4.6
291.26755	28.6
293.09210	5.6
294.09738	3.1
295.10559	5.9
297.12360	4.5
297.27859	5.5
298.12680	3.1
309.27740	24.7
310.59744	2.1
311.09723	2.4
312.10605	2.0
313.11469	7.4
325.11908	9.7
326.12091	3.3
327.13229	5.5
327.28967	13.0
328.13708	8.3
335.10156	4.5
338.12338	2.0
339.13309	11.2
340.13647	21.6
345.13562	2.3
345.29901	6.4
349.23749	8.6
353.11224	15.2
367.12814	6.9
368.13220	19.4
369.14090	5.0
385.13846	4.5
386.14047	4.0
399.15594	2.4
400.15585	3.7
453.84067	2.7
466.19406	2.5
493.21637	33.9
494.19092	20.3
508.20660	2.5
525.13568	2.6
525.23785	12.2
526.21545	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	525.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04377	1.6
51.83664	1.5
53.03930	1.8
55.01847	3.6
55.05504	16.6
57.03428	2.8
57.07067	10.6
57.09156	1.4
59.04977	2.1
62.27672	1.5
65.03917	2.8
67.05494	26.1
67.54121	1.8
69.01112	1.5
69.03426	8.0
69.07057	37.6
69.28872	4.0
69.29262	15.6
69.49375	1.5
70.06570	4.7
71.04986	3.7
71.08624	4.7
78.28915	1.7
79.05486	15.2
81.03397	3.0
81.07042	100.0
83.04928	2.4
83.08602	14.2
84.08138	2.7
84.54948	1.5
85.02887	11.0
85.06527	47.5
86.09686	4.1
87.04420	2.0
88.02181	9.0
91.05450	12.0
93.07036	37.3
95.00487	1.8
95.04939	5.7
95.08591	67.8
97.02880	4.4
97.06510	5.9
97.10143	10.9
99.04465	3.1
99.08088	12.3
100.07591	1.8
105.07013	15.8
107.08565	41.5
109.02842	3.8
109.06516	3.9
109.10139	54.2
111.08083	13.0
111.11694	7.5
113.09664	3.2
117.06994	3.1
119.08570	14.5
120.08092	2.4
121.10129	28.6
123.10827	2.6
123.11687	50.8
123.12579	2.4
124.07545	3.2
125.09599	8.3
125.13225	1.7
127.03882	4.9
127.11153	2.7
131.08539	2.0
133.06491	1.6
133.10132	9.0
134.02695	5.6
135.11665	20.5
137.05946	5.7
137.09599	2.4
137.13240	28.4
139.11086	7.9
140.07040	3.0
141.12737	3.4
143.08501	4.3
145.10117	6.5
146.08142	1.7
147.11639	10.8
149.13231	27.7
151.07500	1.8
151.11133	1.8
151.14803	6.3
153.12743	13.1
157.10069	3.7
158.02646	2.7
159.11623	4.1
161.09526	2.5
161.13216	7.9
163.07484	2.3
163.11147	1.9
163.14801	13.2
165.12738	2.8
165.16362	2.6
166.96812	1.7
167.07025	4.4
167.14268	4.4
171.11649	1.9
171.13754	2.3
175.14804	5.0
177.05487	2.3
177.16362	8.8
179.14281	2.2
179.17876	2.6
181.05008	1.8
182.15334	2.2
191.17897	6.9
193.19482	2.5
203.17938	5.4
204.03387	2.3
205.19376	2.9
213.16454	1.8
213.18553	2.4
217.19447	8.6
221.18983	2.2
223.20488	1.9
235.20512	9.0
239.11700	2.6
253.21561	5.8
257.19107	3.2
261.25769	4.0
265.09909	2.0
267.11224	2.2
273.25568	12.3
279.26721	10.6
291.26746	40.9
297.27853	12.0
309.27811	39.1
315.80075	1.7
327.13403	1.6
327.28909	32.3
345.30002	8.1
349.23703	5.7
353.10977	3.8
406.39651	1.8
482.22845	5.6
494.18942	5.9
508.20477	3.3
525.19843	2.3
526.21802	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	525.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60475	0.5
53.03927	1.2
55.01855	1.2
55.05495	5.5
56.45549	0.5
57.03436	0.8
57.07038	1.6
59.04984	0.9
61.02908	0.9
66.78409	0.4
67.05492	6.6
69.03076	0.5
69.03416	6.2
69.07051	4.0
69.86572	2.9
71.04967	2.2
73.02892	1.0
77.99751	0.5
79.05048	0.7
79.05473	7.3
81.03398	3.5
81.06567	0.9
81.07034	12.6
83.04968	7.4
83.08601	3.4
85.02885	6.4
85.06530	3.8
86.97415	0.5
87.00803	2.9
90.78705	0.5
91.05471	4.5
93.07027	13.7
95.04943	1.5
95.08594	9.3
97.02860	3.0
97.06492	1.5
97.10152	0.8
98.20709	0.5
99.04430	1.1
99.08086	0.5
105.01830	2.2
105.04541	0.6
105.07005	12.6
107.04937	2.8
107.08566	12.2
109.02821	2.2
109.06500	3.3
109.10136	12.3
111.04440	0.7
111.08049	2.9
113.09599	4.2
115.03858	0.6
117.06962	0.9
119.07684	0.7
119.08559	18.7
121.06506	3.4
121.10122	20.3
122.07259	2.3
123.08038	1.9
123.11665	5.9
125.09612	3.5
127.03911	3.8
129.07050	0.6
131.08510	2.5
133.06488	0.9
133.10106	31.4
134.10425	0.5
135.08038	1.8
135.11661	5.8
137.09589	21.6
139.11153	3.3
143.08510	0.8
145.04912	0.7
145.10092	4.0
146.45705	0.4
147.08051	3.3
147.11649	5.3
149.09587	3.4
149.13232	3.2
151.11156	9.2
157.10101	2.4
159.11630	3.2
161.09578	5.0
161.13223	4.6
163.11159	1.7
165.12718	1.0
167.14307	0.5
171.11649	1.8
173.13197	1.2
175.11162	1.7
175.14784	17.4
176.15141	0.7
177.09105	0.7
185.13240	2.9
189.12679	2.0
189.16339	0.9
191.14244	1.8
192.33920	0.5
193.15842	2.0
199.14781	1.2
201.16367	3.6
203.14247	5.6
204.14993	0.8
207.13713	0.5
215.17894	0.5
217.15875	2.7
217.19504	0.8
219.17424	0.6
231.04877	0.6
241.19461	2.7
259.20520	24.3
277.21570	100.0
278.21933	1.9
289.21536	1.3
367.22626	1.3
385.23483	0.6
445.25809	1.7
489.24612	1.6
507.26245	0.8
525.26947	0.7
538.99493	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.0103
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96547	5.5
58.02298	0.5
71.53168	1.1
71.95202	0.6
73.83494	0.5
97.02847	1.3
98.97562	46.8
116.82719	0.6
116.98597	45.4
119.01876	0.8
134.99626	28.6
138.05420	0.9
140.00111	0.7
153.00659	4.7
158.01256	1.2
173.72356	0.5
177.00951	1.6
216.98761	0.9
219.01909	2.5
232.96632	1.0
234.99911	5.6
240.98636	6.9
250.97755	1.4
252.97543	0.7
253.00958	1.1
256.96631	0.8
257.96878	1.1
258.99786	58.7
259.99979	3.1
261.00125	1.1
261.02936	5.7
262.03104	0.6
263.03076	0.8
264.98834	0.7
274.97635	5.9
275.97827	2.3
277.00809	92.9
278.00946	4.4
279.00989	1.6
280.96652	0.8
282.01343	2.5
282.99915	19.5
284.00089	2.5
284.04358	0.7
284.99808	2.1
292.98718	3.4
295.01898	1.3
298.97733	3.7
299.97842	1.7
300.02356	3.4
301.00980	35.2
302.01028	5.0
303.00830	3.5
316.98868	10.9
317.98816	4.2
318.98560	0.9
319.02014	1.5
322.97736	0.9
324.02469	1.4
334.99988	1.8
340.98895	1.3
358.95837	0.9
359.00055	13.8
359.99997	0.9
364.98807	3.3
382.95206	1.3
382.99890	18.0
383.99719	0.8
396.94046	0.6
398.94156	0.8
401.01013	100.0
402.01270	6.4
416.99078	1.0
417.99136	0.8
419.02054	13.5
424.02652	6.6
425.01767	1.1
426.01013	0.8
440.99026	3.4
441.98846	2.6
443.02386	4.3
444.02371	1.2
459.00186	3.1
459.99930	5.3
482.99808	1.0
483.05850	1.0
483.99878	1.0
500.98129	1.5
507.00604	4.3
519.91003	0.8
525.01172	78.3
525.96124	0.6
526.01526	5.6
542.98773	3.0
548.03082	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01994	1.2
55.05497	2.7
57.03413	2.1
57.07067	100.0
59.04708	2.3
59.04992	40.9
69.07053	3.6
69.21472	14.7
71.08621	74.1
73.02905	36.7
75.97318	1.4
76.14034	1.1
81.03378	2.5
81.07043	4.5
82.89054	1.2
83.08600	3.6
85.10168	65.8
87.04463	3.0
89.06009	3.8
93.07032	1.4
95.08576	2.8
97.10137	3.7
98.20661	2.4
99.11713	15.4
101.09621	5.6
103.07518	1.5
104.07642	1.2
105.07067	1.5
113.13243	4.7
113.96152	1.3
117.09107	15.1
130.68613	1.5
151.09631	1.5
155.03494	1.3
155.17918	9.6
161.08076	1.5
173.13022	1.3
175.13310	1.5
199.20544	2.2
213.22121	19.9
219.12299	2.4
237.13284	2.1
240.64331	1.2
254.24564	2.3
257.24747	3.1
267.15771	1.7
271.26279	21.3
524.40997	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.4511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67445	1.0
54.93782	1.1
55.05480	2.2
57.03411	4.3
57.07065	100.0
59.04992	82.0
59.05426	1.6
66.82477	1.0
69.07040	2.5
69.35904	9.9
71.08620	88.6
78.59071	1.1
81.04139	0.9
81.06998	1.9
82.07357	1.0
83.08588	5.2
85.10167	86.6
87.04437	1.6
96.48531	1.1
97.10161	2.6
99.08057	1.5
99.11710	11.2
100.07594	1.5
101.09647	7.1
103.07551	2.7
107.61098	1.0
111.11671	1.6
115.07504	1.3
117.09106	30.4
121.32958	1.0
135.10091	1.7
141.16350	9.4
155.17955	1.2
158.11748	1.3
159.13782	1.7
161.11766	1.3
175.13278	5.8
195.52078	1.3
199.20531	20.9
213.22032	4.0
233.17407	4.5
240.23271	3.0
251.18434	1.9
257.24692	34.3
271.26337	5.7
283.17169	1.4
315.28864	3.1
507.42276	5.0
524.35559	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	524.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.1
55.01862	1.5
55.05500	12.9
57.03432	13.2
57.07071	19.1
59.04992	11.2
65.03922	2.5
65.46760	1.0
67.05495	100.0
69.07055	10.2
69.75097	4.4
71.04971	2.4
71.08619	14.4
73.02917	0.9
79.05480	20.8
81.03401	2.7
81.07043	43.0
83.04979	1.9
83.08602	10.0
85.06535	4.0
85.10172	12.5
87.04449	7.0
89.06001	1.0
91.05461	15.8
93.07031	28.0
95.04948	2.0
95.08597	29.9
97.06506	1.9
97.10146	3.2
98.21390	1.5
99.08069	1.4
99.11720	2.2
101.05975	1.9
103.03916	3.7
105.07020	9.0
107.08572	15.7
109.06497	1.1
109.10139	79.1
111.08073	4.8
117.07013	2.5
117.09096	2.1
117.92674	0.8
119.08558	10.6
121.10123	14.4
123.11692	3.5
131.08519	5.6
133.10114	4.2
135.11676	7.6
137.09587	3.2
137.13210	1.6
145.10107	3.1
147.11661	3.8
147.29295	0.9
149.13213	4.6
155.10695	4.6
159.11684	3.2
161.13271	3.3
163.14845	1.5
168.53508	1.0
173.11751	21.9
173.13229	3.3
175.14861	1.6
185.03157	1.0
187.14825	2.4
193.12233	1.2
213.22055	2.7
219.12234	1.0
227.12671	2.0
229.14319	87.0
231.64105	0.9
243.21046	3.3
261.22122	13.2
268.16293	1.6
270.74176	0.8
271.26294	3.2
313.27356	1.6
314.27716	1.1
317.24686	2.5
335.25742	85.3
336.26147	1.1
443.79105	0.9
445.13467	0.9
472.70578	0.9
489.35654	51.7
490.35724	1.3
506.39542	2.2
507.36987	1.6
524.40558	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	524.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35985	0.8
53.03930	1.0
55.01863	1.8
55.05502	3.4
57.03421	1.7
59.95880	0.8
62.06060	1.1
67.05487	3.7
69.07051	4.2
70.06573	1.3
70.63873	0.9
71.52422	1.6
79.05489	4.7
81.07038	19.6
83.04978	2.0
83.08593	1.9
91.02331	0.8
91.05470	3.0
93.07021	5.2
95.08597	6.2
99.14328	1.0
105.07008	3.1
106.06049	0.9
107.08579	5.6
109.06505	8.5
109.10143	4.3
111.04424	16.6
111.08049	1.3
119.08570	4.9
121.10146	4.4
123.08045	1.9
123.11698	1.9
125.05974	6.8
131.08511	1.2
133.10107	5.6
135.08023	2.0
135.11661	5.7
137.05951	100.0
137.09535	1.8
137.13278	2.4
143.08559	1.4
145.10083	1.6
147.08025	1.9
147.11676	5.9
149.09601	4.3
149.13188	1.6
151.07513	3.1
151.11176	1.8
157.10057	2.2
161.09584	6.2
161.13257	3.4
163.11185	3.1
165.09140	2.3
167.10590	1.4
175.11140	6.0
175.14850	1.0
179.10609	1.9
189.12698	1.4
203.17876	6.9
213.16400	3.8
216.06308	1.4
221.18976	1.9
231.17398	9.4
241.15793	1.2
249.18483	7.6
266.33484	1.0
277.17938	40.0
295.19012	12.7
320.22165	4.0
351.21600	53.7
383.24203	63.4
431.18164	2.9
474.22256	2.0
492.23837	4.7
524.12305	3.6
524.26013	3.5
524.33881	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	0.6
55.05507	10.4
57.03430	5.6
57.07064	5.9
66.05012	0.5
67.05492	10.2
69.07056	17.3
71.04967	0.5
71.08616	3.0
71.54862	0.4
71.55270	0.8
79.05489	4.5
81.07047	12.2
83.04949	0.7
83.08606	11.1
85.10155	1.9
86.09679	1.8
87.04465	0.5
88.03973	5.1
88.95189	0.6
91.05444	1.1
93.07035	6.3
95.08587	10.2
97.06498	2.2
97.10155	7.4
98.98455	4.3
102.59258	0.6
104.10728	2.7
105.11056	0.8
106.04999	1.2
107.08565	4.1
109.10141	4.9
111.08062	1.2
111.11681	1.6
115.07572	0.5
121.10101	5.7
123.11703	0.9
124.99945	0.8
125.09586	1.2
135.11674	4.7
136.00867	0.5
148.07021	0.4
149.13228	1.9
151.14812	0.7
153.12691	0.8
155.00999	1.4
165.16301	0.6
173.02126	0.9
184.07306	3.2
185.07643	1.2
185.30865	0.5
186.07838	0.8
230.67699	0.5
247.24213	0.9
265.25259	1.8
270.24881	0.5
314.27704	0.7
339.28879	100.0
340.29114	1.3
352.28442	2.8
506.34668	0.5
524.24414	0.7
524.35968	1.5
537.75024	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3703
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05511	0.3
56.05028	1.2
57.03424	0.4
57.07069	3.4
58.06573	1.2
60.08154	16.2
62.19273	0.3
67.05491	0.7
69.07059	0.6
69.39642	2.1
70.06578	0.2
71.06977	0.4
71.07361	5.9
71.08619	2.2
73.20674	0.2
81.07042	0.8
83.08609	0.8
85.10167	1.1
85.76717	0.2
86.09692	49.8
87.10010	0.2
93.79253	0.2
95.08589	1.0
97.10161	0.3
98.20660	0.4
98.98452	3.3
104.10725	100.0
105.11069	0.4
108.79245	0.2
109.10143	0.4
119.08522	0.2
124.99982	28.9
163.01520	0.7
181.02568	0.3
184.07309	100.0
185.07632	0.3
213.18494	0.2
258.10999	1.3
289.17300	0.2
310.58533	0.2
341.30362	1.5
346.39227	0.2
372.05994	0.2
443.47342	0.3
447.28494	0.3
506.28406	0.5
506.35992	9.5
513.35724	0.3
524.37024	48.7
525.37396	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86148	0.3
55.05446	0.6
55.24347	0.4
67.05462	0.7
68.04952	0.4
69.03383	0.7
69.07000	0.5
70.06504	1.3
71.04928	0.5
71.52529	0.7
71.52902	0.4
73.02850	0.4
77.33216	0.3
79.05415	1.1
81.06969	1.9
85.02820	0.9
86.09634	0.6
89.05938	0.5
91.05466	1.9
93.03329	0.8
93.07006	1.7
95.04900	0.9
95.08517	1.4
97.02779	0.5
103.05363	0.7
104.63907	0.3
105.07014	2.2
106.04095	0.9
107.08546	0.7
108.08045	0.3
109.02786	0.8
109.10062	1.0
113.00562	0.3
115.00881	0.3
118.04070	1.5
119.08479	1.1
120.04326	0.8
120.07991	0.7
121.06491	1.6
121.10026	1.2
123.11645	0.4
124.05204	0.7
124.07529	0.8
133.06447	1.9
133.10056	0.7
134.05919	0.4
135.07957	0.8
137.05856	0.8
138.09007	0.6
140.10699	2.0
143.08350	0.4
145.10063	0.4
146.05864	0.9
149.05917	1.9
149.09576	0.4
150.05489	0.6
150.06697	0.8
151.07434	0.4
152.06972	1.6
154.04886	0.7
157.09909	0.4
159.11584	0.4
161.05945	0.7
161.09515	0.5
162.07532	1.1
162.08777	0.3
164.06940	0.5
165.08978	1.3
166.08522	0.4
167.06882	0.5
167.10535	0.4
172.03812	0.5
173.13100	0.4
176.10594	1.4
177.05362	1.3
181.08493	1.2
187.14761	0.4
189.12708	0.4
190.04836	0.6
192.06378	0.6
193.08565	8.6
194.08095	1.6
201.16205	0.4
208.09793	0.5
209.07988	6.8
209.10513	1.1
220.09377	0.4
221.10580	0.9
222.11440	0.6
223.04089	0.7
223.12238	2.0
225.10098	2.9
226.10913	0.5
234.09244	0.6
235.08580	3.0
235.12321	0.7
236.09406	3.2
236.86955	0.4
237.10158	8.6
237.13747	0.6
238.10776	1.8
239.11710	0.8
240.12476	0.9
241.13191	0.4
241.21500	0.6
247.08546	0.4
248.09331	0.8
249.10156	9.9
250.10910	4.9
251.08195	1.1
251.11745	16.0
252.08775	0.9
252.12457	2.3
253.09665	11.8
253.13185	0.8
254.10025	0.4
259.20560	0.6
261.10068	1.4
262.10867	1.2
263.08383	0.7
263.11688	4.8
264.08868	0.7
264.12534	0.8
265.09656	18.3
265.12811	0.6
266.10300	1.4
266.13620	0.5
267.11252	4.8
267.14276	0.6
267.14810	0.5
268.11884	0.7
269.12772	0.5
277.09659	3.4
278.06839	0.7
278.10382	6.9
279.07639	3.8
279.11194	20.8
280.11969	4.6
281.09418	0.7
281.12711	2.4
282.09958	0.6
283.10614	0.8
285.11942	0.4
289.09509	1.0
290.10190	0.6
291.11243	2.5
292.11957	0.6
293.09085	5.8
293.12750	6.2
294.09869	2.4
294.13181	0.8
295.10672	4.6
295.14328	2.8
296.11380	1.4
297.12283	5.4
299.13794	0.7
306.09833	0.8
307.10580	3.7
308.11459	1.8
309.08691	1.0
309.12186	6.2
310.09518	0.4
311.10126	4.3
311.13815	2.6
311.68460	0.3
312.10977	10.4
321.12073	0.8
323.10297	0.6
323.13678	2.6
324.10965	4.0
324.14597	0.6
325.11761	13.2
326.12302	1.4
327.13315	47.4
328.13696	1.1
334.09433	0.5
335.10223	4.6
336.10825	2.7
337.11783	6.1
339.13315	100.0
340.13943	4.4
341.14850	1.3
352.10480	1.5
353.11215	8.6
357.14487	0.8
367.12796	83.7
368.13556	8.3
369.14337	0.9
384.13193	0.9
385.13824	12.7
399.15433	17.9
400.15884	0.9
451.20752	0.9
460.18616	5.0
464.21936	2.4
492.21198	98.6
493.21359	2.2
510.22241	4.4
524.23914	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	524.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07025	0.4
69.39686	2.5
70.06518	0.2
77.20444	0.2
81.07037	0.3
82.52873	0.3
88.77059	0.3
93.06982	0.5
95.04921	0.3
95.08560	0.3
95.75707	0.3
108.08073	0.4
109.10078	0.3
116.94554	0.2
117.34968	0.2
119.93353	0.2
120.04408	0.9
122.05984	0.6
123.07987	0.3
124.07533	0.7
133.10114	0.2
134.04352	0.2
134.05969	0.3
135.01840	0.2
138.09065	0.7
140.10634	1.5
145.98720	0.2
146.06047	0.5
148.07520	0.3
150.05486	0.3
152.06993	1.9
154.04924	0.3
157.80659	0.2
172.03873	0.5
176.10637	1.1
190.04785	0.3
194.08067	1.8
196.09528	0.3
208.09764	0.6
209.10616	0.8
210.09059	0.4
210.11391	0.3
211.12100	0.4
221.10645	0.6
222.07890	0.3
222.11443	0.8
223.08582	0.5
223.12277	1.6
224.09367	0.8
225.10155	2.4
226.10869	0.3
233.10693	0.5
234.09082	0.6
234.11292	0.4
235.08617	3.6
235.10951	0.3
235.12091	0.4
236.09285	3.0
237.10187	8.5
238.10895	1.9
239.11688	1.2
240.12473	0.8
241.13271	0.6
248.09325	0.6
249.07614	0.4
249.10187	7.7
250.10956	4.6
251.08018	1.4
251.11746	17.5
252.08774	0.6
252.12541	2.4
253.09657	10.1
253.13286	0.8
254.10330	0.5
261.10001	1.2
262.10934	0.9
263.08163	0.8
263.11697	1.9
264.08914	1.0
265.09665	16.6
265.12741	0.6
266.10413	1.6
266.14117	0.4
267.11234	4.7
267.14597	0.5
268.12006	0.6
269.12656	0.7
277.09686	3.8
278.06564	0.9
278.10422	6.9
279.07645	4.2
279.11172	23.5
280.08740	0.4
280.11914	5.4
281.09479	0.5
281.12778	1.9
282.10007	0.6
283.10883	1.2
284.11328	0.5
289.09680	1.0
291.11099	0.8
293.09140	6.4
293.12762	6.2
294.09854	2.9
294.13431	1.3
295.10681	4.7
295.14319	3.0
296.11548	1.7
297.12244	6.3
299.13739	0.6
306.09802	1.2
307.10623	3.6
308.11560	1.4
308.26834	0.3
309.08636	0.8
309.12189	5.5
310.09381	0.3
310.12851	0.4
311.10162	3.9
311.13837	2.5
312.10971	10.8
321.12189	0.7
323.10245	0.3
323.13708	1.0
324.11050	3.9
324.14615	0.3
325.11755	15.0
326.12469	1.1
327.13315	46.7
328.13602	0.7
335.10168	4.6
336.10782	1.6
337.11707	4.9
339.13318	100.0
340.13803	3.6
341.14841	0.7
349.11652	0.4
351.13394	0.3
352.10342	1.9
353.11246	8.4
354.12109	0.3
357.14359	1.0
367.12796	78.4
368.13541	7.0
369.14285	0.5
384.13016	1.2
385.13846	14.8
399.15424	17.7
400.15964	0.8
451.20590	0.3
460.18503	4.3
464.21667	2.3
492.21185	99.9
493.21576	2.2
510.22250	2.9
524.23828	23.9
525.24341	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01802	0.5
55.05420	0.7
67.05414	1.1
69.03309	1.6
69.06976	0.9
69.46587	2.7
69.46996	1.0
70.06502	0.9
71.04892	0.8
75.96463	0.5
79.05370	2.3
81.03330	0.7
81.06935	2.7
83.04903	0.8
85.02765	1.4
85.06431	0.8
91.05351	2.9
93.03306	0.8
93.06919	1.8
95.04877	1.1
95.08469	1.7
97.02778	0.5
97.06406	0.8
97.10073	0.7
99.04353	0.5
103.05344	1.7
105.07002	4.8
106.04043	1.8
107.04871	0.8
107.08461	1.6
109.02771	0.7
109.06394	0.6
109.10021	1.5
111.07973	0.7
115.05360	0.4
118.04131	2.7
119.04775	0.6
119.08450	1.6
120.04340	0.5
121.02753	0.9
121.06478	2.9
121.10058	1.0
121.41860	0.5
122.05913	0.6
123.07953	0.8
123.11570	1.0
124.05062	1.9
124.07490	0.9
125.05919	1.0
125.09428	0.5
127.03809	0.9
132.05586	0.5
133.06456	5.1
133.10025	1.0
135.04274	0.7
135.07912	1.5
137.05815	1.6
138.08969	1.3
139.11015	0.5
140.10646	2.6
144.04289	0.6
145.10005	0.8
146.05881	1.2
149.05942	5.0
149.09535	0.6
149.13203	0.6
150.06584	1.1
151.07397	0.9
152.06917	1.7
153.08995	1.2
159.11627	0.6
161.05852	0.7
161.09396	0.7
162.07555	1.0
162.08981	0.5
163.03838	0.7
163.07472	0.6
165.09079	3.8
167.06909	1.5
167.10622	0.6
172.03784	0.8
174.08948	0.6
175.07315	0.5
176.10588	0.9
177.05414	3.4
177.08841	0.6
179.10602	0.5
181.08546	2.3
187.14592	0.5
190.04910	0.9
191.06960	1.0
192.07739	0.5
193.08585	18.9
194.07997	2.0
203.12627	0.4
204.06493	0.5
209.08057	15.1
209.10268	0.8
210.11449	0.5
215.16307	1.1
221.10666	0.7
223.04158	0.9
223.12137	1.8
223.16809	0.7
224.09315	1.0
225.10150	3.8
226.10867	0.6
227.11513	0.6
235.08650	3.0
235.12279	1.1
236.09242	2.3
237.10181	6.8
238.10844	1.8
239.11690	1.0
240.12384	1.7
241.13264	0.4
241.17896	0.6
245.12894	0.5
248.09270	0.8
249.10211	7.6
250.10960	3.9
251.07942	1.0
251.11763	13.8
252.08818	0.9
252.12585	2.1
253.07021	0.9
253.09659	12.7
253.12872	0.8
254.10121	0.6
259.18970	0.9
261.10031	0.9
262.10880	1.1
263.08075	0.6
263.11646	1.5
264.08868	0.8
265.09677	17.6
265.12738	0.8
266.10291	0.8
267.11258	5.9
267.14264	0.7
277.09698	4.2
278.06625	1.0
278.10419	7.6
279.07617	3.7
279.11166	16.3
280.11951	4.7
281.09311	0.6
281.12653	1.7
282.09991	0.4
283.10641	0.7
289.09583	0.8
291.11313	0.5
292.08920	0.5
293.09082	8.1
293.12729	6.1
294.09985	2.6
294.12900	0.7
295.10657	4.7
295.14291	3.5
296.11600	1.1
297.12332	5.9
299.13763	1.7
306.09958	0.7
307.10846	2.5
308.11398	1.8
309.08914	0.6
309.12219	4.8
311.10086	3.4
311.13837	3.0
312.10999	11.7
317.11209	0.9
321.12219	0.7
323.10187	0.7
323.13828	1.4
324.10873	3.3
325.11761	14.1
326.12344	0.7
327.13327	51.1
328.13562	0.8
334.09637	0.6
335.10181	5.9
336.11096	1.2
337.11694	4.0
339.13336	84.1
340.13959	5.3
341.14890	1.0
349.11533	0.8
352.10580	1.6
353.11197	10.0
357.14377	1.0
367.12817	73.5
368.13617	8.6
369.14386	1.2
383.12363	0.6
384.13196	0.7
385.13867	14.9
399.15466	12.8
400.15930	1.7
451.20956	0.9
460.18448	3.0
464.21860	2.5
492.21255	100.0
493.21744	1.9
510.22296	4.8
524.24030	27.6
525.24078	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.3
55.01859	3.2
55.05494	8.2
59.04979	3.3
61.02921	2.2
65.31175	2.2
67.05481	16.2
69.03413	7.9
69.07056	9.0
70.04649	6.4
70.05063	4.6
70.06576	13.0
71.04976	13.4
72.08163	2.4
75.51409	1.9
76.02200	1.7
79.05479	23.1
81.03403	3.5
81.07038	34.8
81.54900	1.8
83.04948	19.1
83.08601	5.5
84.09799	1.8
85.02871	4.9
85.06537	7.1
86.09696	5.3
87.04459	14.2
91.05475	21.4
93.07029	64.5
95.04953	16.1
95.08594	27.5
97.02876	2.7
97.06525	17.3
99.04456	14.6
105.07004	41.1
107.04945	8.1
107.08572	38.7
109.06487	24.9
109.10143	7.6
111.08067	16.0
113.05981	2.4
115.03902	2.9
117.07017	4.2
119.04932	6.0
119.08557	25.1
120.08083	2.9
121.06477	45.7
121.10132	8.9
123.08040	6.5
123.11689	7.0
125.05963	6.9
127.07534	7.5
129.05475	11.0
129.06999	5.5
129.10187	2.2
131.04909	5.5
131.08568	6.7
133.04922	10.5
133.06467	4.9
133.10101	24.8
135.04391	8.4
135.08026	23.6
135.11702	3.8
137.05943	15.1
137.09584	4.0
137.13191	2.0
139.07512	13.9
140.07011	2.0
142.07793	4.2
143.07132	2.0
143.08519	11.4
145.06418	3.2
145.10094	11.3
147.04391	5.6
147.06480	3.5
147.08035	7.6
147.11662	63.4
149.05988	3.7
149.09612	3.4
149.13173	5.2
151.07532	4.2
151.11125	4.0
153.09048	6.4
155.08432	2.0
156.09286	4.0
157.04933	95.2
157.06252	4.8
157.10063	16.4
159.06587	2.4
161.05910	4.3
161.09566	2.4
161.13188	13.2
162.06711	3.6
163.11153	4.2
165.12727	17.9
167.07071	6.1
169.34206	2.3
171.11655	21.7
173.09654	9.7
173.13242	3.5
175.05991	100.0
175.11139	45.7
177.05460	5.9
179.06978	3.3
180.07741	2.6
181.04970	7.5
181.08588	2.6
181.10088	2.8
189.12708	30.8
191.07013	7.5
191.10771	3.7
192.07753	5.0
193.03137	3.9
193.08595	3.0
193.10420	3.3
193.12198	60.9
199.11127	21.5
207.13770	15.9
209.08060	5.2
210.08887	4.3
211.13237	35.8
217.12187	58.0
229.15459	3.7
235.13231	79.5
253.14294	66.3
264.33969	1.9
267.12195	3.2
277.09689	2.5
280.31256	2.0
297.73984	2.5
305.09082	2.3
315.14359	10.5
321.13239	3.7
321.16885	2.8
331.15454	4.6
339.14163	4.2
339.18002	2.7
349.16330	20.3
357.15344	6.1
366.11572	2.1
367.12866	3.9
367.17166	18.7
383.12097	7.5
385.18381	2.9
386.13043	2.2
417.15823	2.7
446.16458	3.9
471.18283	12.2
489.19629	19.0
524.19452	3.0
551.53021	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	523.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	5.2
55.01869	2.5
55.05500	23.2
57.03408	3.0
57.07060	14.1
65.78546	2.0
66.40540	1.9
67.05493	33.1
67.44585	2.2
69.03405	9.8
69.07054	91.4
69.53653	17.7
70.06580	6.1
71.04974	8.7
71.08611	3.3
79.05474	22.2
81.03400	5.5
81.07039	100.0
82.07378	2.7
83.04955	6.5
83.08614	18.6
84.08123	2.8
85.02882	14.1
85.06071	3.1
85.06528	32.5
86.09670	2.6
87.00806	2.8
91.05464	17.2
93.07025	46.5
95.04948	10.9
95.08586	91.1
97.02882	5.6
97.06493	8.5
97.10170	12.3
99.04415	2.7
99.08056	11.5
100.07632	2.3
105.06998	24.7
107.04929	3.9
107.08578	43.1
109.02837	5.3
109.06480	6.6
109.10126	61.2
111.08043	6.2
111.11688	23.4
113.09637	3.1
117.06995	4.2
119.08559	27.0
121.02840	2.6
121.06541	3.3
121.10122	37.1
123.08017	5.0
123.11674	44.6
125.09569	4.5
127.03903	6.1
127.11173	8.6
127.61660	2.4
131.04880	3.1
131.08554	7.1
133.10106	15.3
135.07959	3.1
135.11668	23.1
137.05916	7.8
137.09573	8.5
137.13231	15.1
138.05421	2.9
139.11151	21.0
145.04956	3.0
145.10139	11.2
147.07939	5.1
147.11658	16.9
149.09496	3.4
149.13223	27.9
151.07494	2.7
151.11191	6.0
151.14781	6.5
153.12724	4.1
155.10626	4.7
157.10178	4.8
157.12190	5.0
159.11644	8.5
161.05936	2.6
161.09615	2.8
161.13232	11.2
163.14755	10.3
165.12724	6.8
167.06982	3.9
167.14270	3.8
173.13248	10.6
174.13707	2.5
175.14806	8.8
177.16357	4.5
179.10582	2.9
179.14226	6.3
187.14796	3.3
189.16365	4.7
191.17825	4.6
201.16357	3.1
203.17909	6.2
205.19337	2.7
207.17336	3.1
215.17918	4.0
221.18961	2.5
225.10271	3.8
235.08528	4.6
237.10109	7.7
240.12454	4.1
245.22516	4.8
249.10161	6.9
250.10860	4.0
251.11707	11.5
251.19872	11.4
253.09521	4.1
255.19676	2.4
259.24231	2.8
265.09671	12.6
266.09778	2.5
267.11105	4.1
271.24167	11.8
277.09647	3.0
277.25211	12.3
278.10425	4.1
279.08200	2.3
279.11151	14.6
280.11719	6.7
281.15466	2.4
283.10513	2.3
289.25253	31.1
293.09418	4.2
293.12775	5.1
294.09573	2.7
295.10541	2.7
295.26239	39.8
297.12115	6.5
299.13922	2.5
307.26224	94.5
309.12042	4.7
312.11026	4.8
313.27139	2.8
317.11127	4.7
324.10800	3.6
325.11658	17.1
325.27301	33.4
326.12128	2.8
327.13269	18.8
328.13483	6.9
335.10049	3.2
339.13287	25.7
340.13681	22.5
343.28296	3.4
353.11139	5.3
367.12857	13.3
368.13165	20.7
369.13879	4.3
385.13846	27.7
399.15323	10.0
400.15668	6.1
491.19983	27.4
492.20233	5.0
508.26471	2.8
523.14191	2.7
523.23138	12.1
524.24225	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	523.347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.0
55.05506	16.2
57.07060	7.4
61.02914	2.5
67.05497	32.3
69.03412	6.4
69.07058	40.3
69.33359	5.1
69.33764	16.9
70.06595	4.0
71.04968	7.1
72.08154	2.4
79.05485	21.5
81.03410	5.1
81.07043	100.0
81.07526	4.9
81.42342	1.8
83.04971	5.0
83.08589	11.6
84.08127	2.3
85.02885	9.7
85.06520	19.7
86.09657	2.8
91.05470	15.0
93.07030	62.6
93.15666	1.9
95.04951	14.3
95.08592	99.8
96.08923	4.4
97.02884	3.4
97.06515	6.5
97.10158	8.9
98.06117	2.0
99.04422	2.6
99.08078	53.5
99.77169	2.4
100.08414	11.9
101.05991	2.6
103.05414	2.9
105.07018	29.0
107.04934	2.5
107.08573	39.0
109.02929	4.1
109.06490	7.1
109.10136	58.9
110.10474	4.0
111.08075	8.6
111.11699	7.0
117.07009	4.1
119.08562	30.1
121.06479	4.1
121.10119	40.4
123.08073	8.6
123.11696	35.0
125.09618	6.8
127.03898	5.9
127.11124	4.0
131.08577	9.9
133.10109	35.8
134.10454	6.5
135.08026	4.1
135.11678	26.7
136.12004	4.1
137.05936	6.2
137.09598	10.0
137.13242	13.8
139.11140	8.7
141.09071	2.4
145.10080	13.9
147.11644	19.1
149.02327	3.5
149.09631	3.2
149.13220	13.9
151.11165	8.3
153.12685	4.0
155.10606	4.6
159.11668	18.8
161.13228	9.0
163.07428	2.5
163.11143	3.8
163.14763	11.5
165.12775	7.2
167.06964	5.6
173.13251	8.8
175.07481	3.0
175.14844	11.6
177.12735	2.1
177.16322	7.2
177.38651	2.4
183.13745	2.1
187.11150	2.6
187.14728	5.2
189.16385	11.4
191.07037	3.0
191.17879	3.2
193.15833	41.8
194.16183	40.9
201.16499	3.6
203.07059	3.9
203.17946	12.1
205.19441	4.2
205.43860	2.0
207.17377	2.7
213.18631	2.4
215.14598	2.3
215.17920	32.0
221.18970	6.0
233.18994	23.8
251.20016	53.0
269.20956	3.9
271.24152	11.9
277.25284	4.9
279.11130	3.3
289.25159	22.9
295.26254	5.8
307.15671	2.4
307.26266	37.8
324.48474	2.2
325.27261	13.3
327.13361	6.1
339.13339	9.7
340.13992	2.8
343.28418	8.7
353.11139	4.3
367.12814	6.6
492.22031	13.0
505.18024	2.3
506.79956	2.4
523.19409	3.3
524.19537	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.3
56.05022	0.6
56.29482	0.1
57.03418	0.1
57.07048	0.2
58.06305	0.2
58.06615	0.4
59.07368	0.1
60.08149	5.1
67.05474	0.3
68.66459	0.1
69.03196	0.1
69.07050	0.4
69.30056	0.5
69.30479	0.3
71.07354	2.5
71.08616	0.2
78.27074	0.1
79.05486	0.1
81.07024	0.3
83.08607	0.3
85.77296	0.1
86.09686	28.4
87.10027	0.2
88.09795	0.1
89.06010	0.2
91.10319	0.1
93.07012	0.1
94.93902	0.1
95.08590	0.3
97.10174	0.1
98.98444	2.5
104.10720	2.5
109.10076	0.1
118.91667	0.1
121.10118	0.1
124.99973	18.7
133.08607	0.1
135.11700	0.1
143.01027	0.1
166.02693	0.1
184.07295	100.0
185.07642	0.6
258.10983	0.2
290.97983	0.1
339.29062	0.1
476.51813	0.1
504.34329	1.0
522.35400	4.0
523.35614	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	523.192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.6
55.78716	1.2
57.03433	1.7
61.02914	1.7
67.05486	1.3
69.03412	3.3
69.07078	1.4
69.94090	4.2
70.06580	7.9
71.04975	1.4
71.99210	1.1
72.08131	2.1
73.02884	2.5
76.02241	1.1
79.05491	1.6
80.32651	1.0
81.03399	1.6
81.07035	2.2
84.04483	1.6
84.08125	2.8
85.02880	2.9
86.09694	4.1
88.02184	1.4
91.05472	2.5
94.06506	1.4
95.04921	1.5
97.02867	3.3
99.04469	2.0
103.05416	1.5
105.07041	1.5
107.04965	1.3
119.04907	1.6
119.08561	2.5
121.06485	2.1
121.10075	1.8
123.11673	1.5
127.03912	2.6
131.04887	1.6
131.08501	1.3
133.10147	1.8
136.07478	1.6
137.05959	6.0
147.04436	1.5
149.05951	2.7
150.05528	1.2
160.05156	1.3
163.03929	1.8
165.05493	1.4
167.07019	3.8
168.08336	1.4
173.05931	2.2
177.05441	2.2
179.06931	1.8
180.07915	1.2
191.07025	2.0
192.82101	1.1
199.08658	4.8
200.09401	2.3
203.07031	1.9
204.04124	1.5
210.09247	1.6
211.08571	5.9
212.09468	2.9
213.10155	8.5
214.10858	1.7
219.06516	3.7
225.06648	1.8
225.10156	10.5
226.07333	4.7
226.10974	4.7
227.08205	7.2
227.11761	6.2
228.08821	1.3
229.09810	1.4
238.10837	2.1
239.11726	9.0
240.08931	2.8
240.12625	3.5
241.09656	9.6
241.13239	2.4
242.10522	5.3
243.11475	1.9
244.11906	1.6
245.12874	4.4
249.10234	2.1
250.08727	1.4
251.11858	2.4
252.08922	1.5
253.09753	9.5
254.10408	6.3
255.07600	1.5
255.11261	12.7
257.12915	7.7
265.09689	2.0
266.10486	2.0
267.08167	2.3
267.11230	16.6
268.08685	1.8
268.12021	9.9
269.09305	2.6
269.12836	5.0
271.10794	2.4
272.11389	1.4
273.12265	1.6
279.11288	2.5
280.12128	2.6
281.09152	3.8
281.12723	3.6
282.09952	2.4
283.10748	8.5
284.11569	4.0
285.08710	4.4
285.12350	5.2
291.11365	1.6
295.10736	11.1
296.11523	5.1
297.12204	10.3
299.10086	2.9
299.13849	1.6
301.11749	10.5
307.10873	2.2
309.08688	1.2
309.12158	2.8
311.10205	3.1
313.08307	2.5
313.11758	27.4
314.12366	6.3
315.13251	1.7
321.08600	1.7
321.12201	2.2
323.10144	4.3
325.11725	4.3
327.13293	4.5
329.11200	2.5
333.51331	1.3
335.13989	3.4
337.11606	1.7
339.09589	2.8
339.13403	5.5
341.11166	8.8
342.12134	6.2
343.12711	3.7
349.11816	2.5
353.10895	1.9
355.12784	7.7
357.10779	2.9
357.14575	1.5
361.13788	4.1
363.13510	3.2
367.12772	2.8
371.12280	3.2
373.14001	13.3
374.14374	2.8
375.15149	1.5
379.12769	5.3
381.14621	5.9
383.12164	2.5
385.13763	2.3
391.13107	6.3
393.13770	1.7
397.13828	3.6
399.15506	5.0
401.13287	14.0
409.13925	14.8
411.15488	2.4
413.13443	2.4
417.16989	1.8
425.13388	5.0
427.15103	13.1
429.12305	1.7
433.15854	2.1
437.13449	4.9
445.10083	2.2
445.15970	27.0
455.14465	12.8
457.16019	3.9
463.16949	7.2
469.16074	6.5
473.15506	33.8
487.17050	14.9
491.16650	21.1
505.18076	79.6
523.19128	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3546
Annotation	2-Oleoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05512	2.1
56.05023	1.1
57.07065	1.5
58.06605	1.1
59.07391	0.4
59.12534	0.4
59.54016	0.3
60.08153	16.7
60.61586	0.3
67.05491	1.0
69.07063	2.8
71.07359	5.7
71.08608	1.1
77.82777	0.4
79.05465	0.5
81.07036	2.0
83.08611	1.4
83.34632	0.3
85.10175	1.2
86.09695	52.3
87.04452	0.5
89.06027	2.4
91.80732	0.3
93.07011	0.7
95.08582	1.0
97.10179	0.7
98.21543	0.8
98.98454	3.8
104.10728	99.0
105.11057	0.6
107.08593	0.6
111.08041	0.4
119.34414	0.3
121.10116	0.7
124.99982	27.9
133.08572	0.9
135.11662	0.6
141.20447	0.3
163.01540	0.7
177.11372	0.5
184.07315	100.0
185.07677	0.9
221.13794	0.4
232.08925	0.4
233.22701	0.4
258.10999	0.7
286.46329	0.4
339.28915	1.2
426.23492	0.4
447.44727	0.4
504.34451	10.0
522.35516	46.6
523.35870	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	522.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
55.01866	0.4
55.05505	2.9
56.72401	0.3
57.03416	0.8
57.07058	1.1
59.04988	1.1
61.02911	0.4
65.03933	0.5
67.05492	5.1
69.03410	1.5
69.07055	2.4
70.06584	0.8
70.81175	0.8
70.81519	0.5
71.04976	1.5
73.02911	2.2
79.05473	2.6
81.03403	0.9
81.07044	4.4
83.04964	0.7
83.08604	0.9
84.08122	0.5
85.02895	3.6
85.06532	8.3
87.04474	0.4
89.06007	0.8
90.01901	0.7
90.06332	0.3
91.05473	2.2
93.06469	0.6
93.07028	6.7
95.04945	1.4
95.08597	5.0
97.02873	2.6
97.06530	0.5
97.10148	0.6
99.04427	0.7
99.08078	76.7
100.08395	0.4
105.07008	3.4
107.08584	6.3
109.02880	0.6
109.06496	1.5
109.10139	12.6
111.08059	0.9
113.09570	0.4
115.03916	1.1
119.08575	3.6
121.06485	0.8
121.10143	2.6
123.08050	1.5
123.11691	2.6
125.09629	0.6
127.03870	1.6
131.08536	0.4
133.04959	1.2
133.10110	20.4
134.08882	0.4
134.10440	0.5
135.08049	0.7
135.11661	9.1
137.05994	1.7
137.09599	4.6
137.13167	0.4
138.10396	0.3
145.04927	1.7
145.10089	0.5
147.11661	1.4
149.02348	0.5
149.13200	0.6
151.11191	2.1
151.14731	0.4
159.11635	0.6
161.13275	0.4
163.05966	1.5
163.07381	0.4
165.16386	0.7
167.06973	0.7
171.11722	0.6
175.14789	7.3
176.15257	0.4
193.15851	100.0
194.16176	2.0
211.16946	1.8
217.12187	1.0
221.18993	0.4
235.13248	1.4
239.16315	0.4
253.14334	0.4
259.08041	2.4
277.09216	0.6
295.10196	2.7
335.13718	0.3
365.15738	0.7
368.97675	0.3
490.15475	0.7
492.37943	0.4
522.28827	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.1
55.01859	1.5
55.05497	2.9
56.05012	0.8
57.03413	1.5
57.07050	1.5
58.99560	1.4
65.03928	1.1
67.05486	3.8
67.77421	0.7
69.03416	4.7
69.07048	3.8
70.06573	6.6
70.89149	0.8
70.89480	2.5
71.04967	2.2
72.08138	1.1
73.02904	3.6
75.79861	0.8
76.02238	0.8
78.01756	1.2
78.04691	1.1
78.31582	0.7
79.05471	3.4
81.03382	1.8
81.07042	9.9
82.51738	0.7
83.04947	1.6
83.08616	0.9
84.04465	0.7
84.08125	3.7
85.02884	5.6
85.06530	1.7
86.09683	1.6
87.00824	1.0
88.02209	0.9
89.05976	1.2
91.05441	5.1
93.07026	8.2
95.04944	2.2
95.08592	10.6
97.02872	4.7
97.06521	2.4
97.56703	0.8
99.04441	1.3
99.08089	6.3
100.07598	1.4
103.05444	1.7
105.07017	8.3
107.04926	1.4
107.08578	10.8
108.87651	0.8
109.06509	1.9
109.10126	5.9
111.08062	1.6
115.03867	1.5
116.01653	1.4
117.06993	1.3
119.08562	18.0
120.08102	3.3
121.06470	2.5
121.10100	5.4
123.04394	1.7
123.08025	2.2
123.11711	3.8
125.09602	1.9
127.03883	2.6
130.04988	0.9
130.08606	2.7
131.04868	1.1
131.08534	1.7
133.04959	2.1
133.10104	100.0
134.04500	1.1
134.10411	2.3
135.08064	1.0
135.11665	18.5
136.03908	2.1
137.05952	11.5
137.09575	1.4
138.06294	1.2
145.04935	2.2
145.10086	1.7
146.08057	2.4
147.04420	1.0
147.11664	2.9
149.09622	1.1
149.13220	1.6
151.07545	1.8
153.09048	1.1
154.04948	2.0
159.11702	1.1
160.45671	1.0
161.05923	1.1
161.09584	0.9
161.13164	1.5
162.02214	1.5
163.05980	1.6
166.12749	0.8
167.07005	60.9
168.07318	3.9
175.14795	54.5
176.15201	1.0
177.05557	0.7
179.07001	1.1
181.08551	1.2
193.08572	2.4
193.15848	47.7
194.16139	0.9
206.04314	0.8
209.08061	1.4
209.15347	1.3
211.09671	3.0
211.16890	5.3
221.15286	1.0
227.16545	0.8
229.15475	1.4
239.16417	2.1
243.93643	0.7
257.17453	1.3
259.08160	1.4
295.10181	0.9
303.41440	0.8
372.15771	1.3
374.18350	1.3
375.17770	2.7
522.38428	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95537	0.5
53.03933	1.0
54.66905	0.4
55.01861	2.6
55.05498	1.0
57.03424	4.9
59.04999	0.6
61.02916	5.1
67.05482	0.8
69.03065	0.9
69.03412	12.4
69.07041	2.8
69.44347	4.6
70.06555	1.1
71.01318	1.4
71.04977	2.1
73.02900	29.9
75.93066	0.5
79.05495	1.2
81.03393	2.3
81.07040	7.7
83.04942	0.7
83.08601	0.6
84.07386	0.5
84.08113	0.5
85.02885	26.2
87.04431	1.5
88.03992	0.7
91.03943	1.2
91.05472	2.4
92.79274	0.5
93.07018	6.0
95.04932	1.3
95.08588	12.0
97.02868	21.8
98.20832	0.8
98.74850	0.5
99.04436	2.1
99.08071	5.0
103.03902	1.4
105.06997	7.1
107.04939	0.7
107.08577	8.7
109.02849	3.1
109.10131	3.0
113.09619	2.2
115.03900	10.2
116.07001	0.4
117.07000	0.6
118.71720	0.4
119.08553	48.6
120.08852	0.7
121.10136	1.7
123.04370	1.3
123.08053	0.6
123.11691	4.0
127.03881	10.0
132.06555	0.7
133.04941	9.9
133.10097	86.6
134.04501	0.7
134.10420	2.1
135.11656	18.9
137.05916	2.5
137.09605	1.4
138.05482	0.6
145.04924	11.0
145.10036	0.8
146.10800	0.5
147.11604	2.4
150.07590	1.5
154.04919	1.2
156.29817	0.5
163.05984	5.5
167.06998	28.8
168.07327	1.3
169.04965	0.5
173.04326	0.5
175.14781	100.0
176.15103	1.0
179.07034	0.9
184.70181	0.6
189.09061	0.5
189.12730	0.6
193.04900	0.6
193.08499	1.2
193.15836	26.4
199.06026	1.2
211.09613	2.2
211.16881	83.4
212.17133	1.4
217.06987	0.8
223.05934	2.7
241.07069	2.8
259.08081	4.6
277.09348	1.1
295.10159	1.7
522.28833	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.3
55.01849	0.4
55.05501	11.2
57.03428	6.5
57.07068	1.8
57.32618	0.3
60.04498	0.6
60.08151	1.1
65.03909	0.4
67.05492	21.0
69.07057	13.5
69.34615	3.1
71.04979	0.6
71.08616	0.6
77.27328	0.3
79.05052	0.5
79.05477	6.4
81.07041	24.1
83.04961	0.9
83.08606	6.1
85.06517	0.9
86.09691	4.1
87.10017	0.8
88.03976	5.7
91.05465	3.5
93.07025	6.5
95.04939	0.6
95.08588	16.2
96.08904	0.4
97.06509	1.7
97.10156	3.2
98.98452	4.7
104.10721	6.7
105.07009	3.2
105.11047	2.0
106.05000	1.3
106.11160	0.4
107.08570	3.1
109.06545	0.4
109.10133	5.1
111.08061	0.7
119.08554	2.5
121.10123	2.4
122.00026	0.3
123.07986	0.4
123.11685	2.9
124.99978	2.3
125.09554	0.4
126.00322	0.3
127.00421	0.4
133.10097	2.2
135.11671	1.4
137.09599	0.5
137.13243	0.6
142.05022	0.3
147.11650	1.6
149.13210	0.6
151.14719	0.4
155.01059	0.6
161.13243	1.5
163.14771	0.7
173.02074	1.1
175.14725	0.3
184.07318	6.4
185.07651	2.2
186.07751	2.1
213.66541	0.3
242.04305	0.6
245.22527	0.4
260.05286	0.8
263.23648	1.3
282.99948	0.3
304.26447	0.3
324.89981	0.3
337.27295	100.0
338.27527	3.1
350.26816	2.0
504.33298	0.8
506.78516	0.4
522.34552	4.2
537.31323	0.4
544.03546	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.5
55.01845	1.5
55.05509	6.4
56.05022	1.0
57.03400	1.8
57.07040	0.8
57.98794	0.7
58.99573	20.2
61.01122	0.9
64.85968	0.6
67.05493	8.7
69.03415	0.9
69.07063	8.4
70.06562	2.0
70.79501	2.1
71.04984	4.5
72.08138	0.8
73.01110	2.6
73.02882	1.3
76.01829	1.1
76.02220	16.6
76.03983	4.3
79.05479	7.1
80.04988	1.0
81.06590	1.6
81.07046	27.2
83.04949	2.0
83.06079	4.2
83.08604	6.3
84.04494	10.8
84.08107	3.0
85.01083	1.3
85.02870	1.6
85.06535	6.6
86.09685	0.9
86.99045	11.5
87.02673	2.3
88.02207	4.7
91.05463	8.2
93.07032	8.1
95.04944	1.6
95.08595	33.7
97.01067	1.1
97.06521	8.8
97.10139	2.6
99.04429	1.0
99.05545	2.1
99.08074	3.4
101.04225	1.0
105.06396	0.8
105.07021	10.8
107.08567	5.5
109.06491	2.5
109.10148	4.9
111.02631	2.6
111.04436	0.8
111.08022	2.1
113.04216	1.0
113.09619	1.6
114.03699	1.0
115.07523	0.9
116.01661	68.9
116.07032	0.7
117.06988	0.8
119.08565	16.1
121.10137	5.3
123.08039	3.1
123.11671	1.3
125.04174	0.8
125.09608	0.8
127.03849	0.8
129.06578	5.5
130.04958	4.1
130.08620	5.1
131.08513	1.5
133.04800	0.7
133.10118	15.6
135.11653	7.2
136.03917	0.8
137.05928	1.7
137.09589	0.9
137.13235	6.4
142.03201	7.1
143.08531	0.8
144.01122	31.0
145.06041	2.4
145.10103	1.3
146.08099	0.7
147.11659	0.8
149.13205	2.2
154.04955	1.0
159.11670	2.1
160.65677	0.8
161.09589	1.4
161.13229	31.2
162.02179	100.0
167.07053	1.7
167.14333	1.2
170.02686	2.7
175.14801	2.5
179.04863	2.9
179.14291	19.8
180.03271	1.1
181.06055	1.4
185.06506	0.7
187.05289	1.5
191.14294	1.0
193.15683	0.7
197.15349	21.6
199.07146	1.0
209.15254	1.3
215.16371	6.3
221.15359	1.5
227.14690	0.7
229.12434	0.9
233.05878	0.8
237.13008	1.8
245.05750	1.7
251.12787	1.1
255.14055	6.6
272.16776	2.9
273.15161	25.3
290.17746	4.6
300.16177	2.2
340.15747	1.9
358.16772	14.6
358.20859	1.2
375.18018	1.0
376.17834	24.7
376.22488	1.5
393.20462	64.5
447.21533	17.9
494.19666	0.7
504.23572	1.6
505.22034	1.3
522.24805	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	522.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44485	0.4
55.05504	0.7
69.28040	3.2
70.06592	1.6
71.02582	0.3
72.08143	1.3
79.05470	1.1
82.06579	1.9
82.54765	0.3
84.04488	0.7
84.08156	1.7
85.02886	0.5
89.03905	0.7
91.05474	1.2
93.07039	1.2
100.07598	2.0
103.05456	5.6
107.04910	1.7
108.03407	0.3
117.03368	1.2
119.04908	0.9
120.08086	100.0
121.06480	1.3
121.08434	0.9
128.07074	0.6
128.79059	0.3
130.08618	1.3
131.04921	2.6
135.04381	0.7
136.06157	5.7
136.54007	0.3
136.55449	0.3
140.07022	0.4
145.02815	4.3
146.06972	0.7
146.08098	9.2
147.04399	4.1
148.04768	0.4
149.05992	2.3
163.03909	2.3
166.08611	51.4
167.09094	0.5
177.05446	10.5
195.12286	0.7
300.67786	0.3
301.05945	0.4
313.55423	0.3
314.28088	1.6
316.42813	0.3
330.29752	0.3
437.63342	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	5.3
55.01849	2.1
55.05500	13.2
57.07058	6.1
59.04981	4.9
62.17464	1.9
63.89861	2.0
67.05495	24.8
69.03405	8.7
69.07053	25.2
70.06565	3.7
71.04991	11.6
77.50014	2.0
79.05484	16.6
79.14896	1.8
81.07044	100.0
83.08592	8.3
83.46010	1.9
84.08122	2.4
85.02897	8.7
85.06524	10.0
86.09675	3.0
87.04445	5.0
91.05464	16.2
93.07027	75.3
95.04951	61.6
95.08591	78.0
97.02862	3.6
97.06501	6.7
97.10157	4.1
98.21507	4.9
99.04543	2.0
99.08067	4.9
103.05422	2.3
105.07010	31.5
107.04915	2.5
107.08569	35.1
109.02837	4.3
109.06505	10.1
109.10130	33.7
111.08053	11.5
111.11666	3.9
117.07011	4.1
119.08557	23.9
120.08058	3.6
120.08869	2.9
121.10123	30.6
123.08044	4.7
123.11685	38.9
125.05994	3.6
125.09574	4.9
127.03921	3.4
127.11178	5.3
129.07027	2.9
131.04933	3.0
131.08542	5.6
133.10114	20.0
134.10423	2.5
135.11653	13.8
137.05939	11.4
137.09598	4.3
137.13239	47.8
139.11171	6.4
141.12735	4.7
143.08517	4.8
143.10651	5.1
145.04897	2.8
145.10101	10.8
147.04385	2.7
147.11667	28.9
149.13208	16.1
151.07501	4.5
151.11101	5.0
153.12697	5.2
157.10092	9.5
159.11652	19.7
159.66684	2.3
161.05954	2.4
161.09569	2.1
161.13228	11.7
163.11171	4.3
163.14822	6.1
165.12711	12.2
167.07039	4.3
167.10669	5.1
170.47939	2.1
171.11652	5.1
173.13293	10.0
175.14795	6.9
177.05403	2.3
177.16206	2.5
183.13774	4.9
185.13260	2.8
187.14774	5.2
189.16414	3.8
195.17331	2.3
199.14806	3.6
201.14763	5.3
201.16426	7.8
203.17918	4.9
213.16373	8.4
215.17981	2.7
217.19608	2.8
219.17303	2.6
237.18469	3.3
259.24167	2.1
269.22556	8.7
273.07635	2.0
275.23419	3.6
277.25223	6.8
287.23636	38.3
293.24637	19.0
300.80780	2.5
305.24677	58.4
311.25754	3.6
323.25742	30.9
341.26535	3.2
521.16724	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	521.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	4.9
55.01855	4.8
55.05496	14.1
57.03413	4.5
57.07063	7.6
59.04999	2.9
61.11713	2.3
65.03924	3.7
66.09621	1.9
66.43124	1.8
67.05486	21.3
69.03403	9.6
69.07058	28.1
70.06587	4.8
71.04967	15.5
73.02907	4.3
79.05479	16.2
81.03400	8.9
81.07040	100.0
82.07381	2.6
83.04960	6.1
83.08596	7.5
84.08135	7.9
85.02884	10.4
85.06555	9.9
86.09677	6.7
87.00837	3.2
87.04420	2.6
91.05452	27.2
93.07026	81.7
95.04954	53.9
95.07970	4.2
95.08588	74.3
96.08939	3.0
97.02878	6.9
97.06515	6.9
97.10156	3.6
98.20709	4.5
99.04433	4.6
99.08087	6.5
102.55553	2.4
103.05431	6.1
105.07011	41.4
106.07334	3.3
107.04940	5.2
107.08578	33.5
108.08933	3.5
109.02858	4.9
109.06493	13.0
109.10130	38.0
110.10504	2.8
111.04430	4.3
111.08060	9.2
111.11717	3.4
117.06992	5.1
119.04952	3.3
119.08555	29.1
120.08127	3.9
120.08897	2.7
121.06518	4.7
121.10124	35.7
123.08054	7.5
123.11685	42.7
125.09620	6.0
127.03928	7.8
127.07545	5.2
127.11169	7.4
130.08629	4.8
131.04942	9.3
131.08557	9.6
133.02837	2.6
133.10109	24.4
134.10410	3.4
135.08008	4.2
135.11667	20.9
137.05962	32.1
137.09550	5.1
137.13232	46.2
139.11169	7.9
141.06993	2.2
141.12761	4.3
143.08530	5.6
143.10661	6.3
144.10999	2.8
145.04929	2.5
145.06253	2.4
145.10100	15.5
147.04453	2.9
147.08023	4.7
147.11668	29.4
148.11894	2.5
149.05927	4.2
149.13243	13.7
150.13583	3.3
151.03883	2.5
151.07553	11.9
151.11163	2.8
153.05408	5.7
153.12697	3.1
157.10150	10.8
159.07994	3.3
159.11673	19.6
161.05983	4.7
161.09596	2.7
161.13216	11.5
162.07530	3.0
163.07487	4.4
163.11171	4.4
163.14728	4.1
165.09071	4.1
165.12746	12.3
167.07031	17.7
167.10681	4.7
167.14261	9.8
168.14619	9.0
171.11644	5.0
173.13210	12.7
175.07491	4.1
175.14767	3.7
177.05408	5.1
177.09073	3.3
179.07016	3.5
181.04892	3.0
181.12163	2.7
183.13783	5.1
185.13246	3.9
189.16338	3.6
193.08614	2.2
199.14825	5.6
201.14764	5.7
201.16382	9.1
203.17944	6.2
206.04520	2.7
213.16333	8.4
215.17943	2.7
217.15762	2.4
219.17378	7.7
220.17799	7.9
221.18968	6.1
229.10056	2.5
237.18526	6.3
269.22519	9.3
275.23727	3.7
277.25253	7.4
287.23636	34.5
293.24710	12.4
301.05762	3.6
305.24698	56.7
307.09601	4.0
311.25769	5.8
313.10977	2.3
317.11462	3.0
323.25644	25.7
327.12640	2.8
339.12906	2.5
351.09680	3.5
367.15726	2.8
368.09845	3.0
371.14935	5.5
379.15527	2.6
382.11551	2.6
394.65408	2.0
449.29330	2.1
473.04401	2.1
493.46750	2.4
521.21411	9.2
521.29755	3.4
522.18439	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	521.201
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.5
53.03923	0.5
61.02903	0.5
69.03414	1.2
69.74729	0.5
69.93607	1.7
69.94022	0.9
70.06590	0.9
71.04987	0.5
72.08144	0.7
73.02890	0.6
81.03378	0.8
84.08132	12.3
85.02905	2.8
85.08408	0.5
91.05450	2.3
92.25613	0.4
95.04948	1.3
97.02878	1.1
99.04364	0.5
103.05449	43.9
105.07017	4.0
106.44992	0.5
109.02899	0.6
115.05415	1.0
119.04923	3.8
126.08216	0.5
126.09130	10.6
130.08621	2.2
131.04907	100.0
132.04405	0.7
132.05281	0.5
133.06459	3.1
137.05948	3.8
141.67140	0.5
146.05984	1.4
147.04372	4.4
151.07492	0.7
154.08607	12.3
161.05963	7.8
163.07516	41.0
175.07585	0.6
177.82889	0.5
178.04930	5.4
179.07010	3.5
206.02637	0.4
206.04430	10.6
213.16888	0.6
214.05005	2.6
230.04480	0.8
230.17332	0.6
231.17856	0.6
270.03952	2.0
312.04913	0.8
313.11841	0.7
330.06058	4.1
348.07062	1.3
362.08679	4.6
368.37378	0.5
380.09726	1.7
489.15057	1.7
521.17560	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	521.2586
Annotation	Premnaionoside
Peak:m/z	Relative Intensity
52.37696	0.9
53.57582	0.9
55.01848	1.9
55.05494	1.2
57.02923	0.9
57.03428	5.8
59.04976	0.9
61.02897	2.5
67.05482	2.8
69.03418	13.3
69.07042	2.7
70.06558	1.3
70.51492	1.7
70.51882	1.9
71.04967	6.6
73.02908	12.6
74.06106	1.0
81.07038	5.0
83.04964	1.0
83.08594	1.4
84.08120	4.3
85.02885	15.5
85.06525	5.5
87.04437	6.2
91.05457	2.7
93.07021	6.7
95.04949	56.4
95.08557	3.0
97.02870	14.7
97.06519	5.2
99.04440	14.9
99.08065	7.5
105.07000	3.9
106.72312	0.9
107.08563	9.7
109.02847	1.5
109.06487	3.4
109.10132	18.6
111.08082	1.6
115.03908	12.6
115.07564	6.8
117.07015	0.9
119.08552	2.8
120.08102	1.2
121.10104	4.6
123.11678	8.4
125.09622	1.3
127.03883	2.8
127.07522	3.8
130.08630	1.7
131.08527	4.6
133.04938	12.8
133.10106	48.0
135.08047	3.9
137.05936	4.4
139.11162	3.5
145.02814	1.1
145.04907	2.8
145.10088	1.8
147.11626	1.6
149.09573	0.9
149.13251	4.8
151.11159	11.0
153.09071	26.5
153.10333	1.3
158.10948	1.7
163.14769	1.6
169.12204	8.7
173.13234	20.9
177.05397	1.6
179.06995	5.0
191.14272	40.8
193.90605	1.1
209.15324	100.0
227.16370	30.9
253.10646	1.2
268.52997	1.0
426.49451	1.1
521.17023	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
53.21729	0.6
55.05495	1.2
56.05029	3.0
58.20768	0.7
65.99833	0.6
67.05497	0.7
69.03411	1.7
69.07059	1.4
70.06595	3.3
71.04971	0.9
71.53165	1.2
72.08141	1.9
73.02911	1.2
79.05475	1.0
81.03403	1.5
81.07046	1.8
82.06596	1.5
83.04950	0.9
84.04485	1.0
84.08127	86.3
85.02885	2.8
85.06536	1.1
85.08450	0.8
86.09679	1.8
87.04475	0.8
91.05470	1.9
93.07034	1.9
95.04958	3.1
95.08606	1.4
97.02862	1.2
97.06507	1.0
99.04456	1.4
103.05453	14.7
105.07018	2.2
107.04951	0.9
107.08594	1.0
109.02876	1.7
109.06539	0.8
109.10172	2.5
115.03910	0.7
119.04937	1.6
119.08556	0.9
120.08099	0.6
121.06540	0.8
121.10120	0.7
122.06010	0.8
126.09129	84.7
127.03899	0.8
127.09447	1.0
128.07019	0.7
130.08614	6.0
131.04906	32.0
131.08578	0.6
132.04410	4.1
133.06439	1.2
133.10097	1.5
137.05954	4.2
137.09586	0.7
140.07074	0.8
142.08664	0.6
146.05972	4.5
147.04362	3.1
153.09096	0.7
154.08598	100.0
155.08900	1.1
161.05936	3.5
161.13222	0.7
163.07507	12.2
163.08792	1.0
167.06987	0.7
169.05299	0.6
172.09621	3.0
173.13139	1.0
174.05473	1.3
178.04956	46.9
179.07005	1.4
186.05447	1.0
187.07483	0.8
188.07039	0.7
191.14333	1.3
204.06657	0.7
206.04442	69.0
209.15358	2.5
214.04955	5.5
227.16368	0.7
230.04430	2.8
230.17455	0.7
240.06558	0.7
242.04390	1.0
256.05908	0.7
268.06021	0.7
270.03891	3.5
272.05490	1.7
278.00174	0.7
280.11646	1.7
283.09732	0.6
284.05426	0.8
298.12790	6.2
312.05002	6.2
313.11682	2.3
316.13876	1.1
330.06033	12.2
345.14206	0.6
348.07047	5.9
362.08627	13.3
368.09750	1.0
380.09656	6.0
389.12302	1.0
489.15042	3.8
503.16339	2.0
521.17401	11.1
521.75171	0.6
525.00354	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.6
59.04714	0.5
59.04994	7.0
61.02924	0.5
67.05458	0.5
69.03416	1.5
70.06587	2.7
70.34083	1.2
72.08141	0.7
73.02914	0.5
73.06533	0.8
81.03412	1.0
83.50872	0.4
84.04493	0.6
84.08116	1.8
85.02908	3.8
86.09686	0.9
87.04444	2.5
88.02190	0.7
89.06016	100.0
91.05457	0.9
97.02869	1.4
99.04464	0.5
103.03853	0.5
103.07568	2.0
106.57391	0.5
107.07041	2.8
109.02846	1.1
119.04896	0.6
127.03867	0.8
130.08614	2.3
131.04890	1.3
133.08582	41.7
137.05951	0.8
145.02812	1.0
147.04408	1.8
147.10138	1.4
151.09641	0.6
161.05977	1.2
163.07520	0.8
175.07349	0.5
177.05437	1.3
177.11191	17.9
179.06941	0.5
191.12770	0.8
195.12326	2.8
203.07069	2.5
221.13823	1.6
239.14795	4.0
254.09850	0.5
265.16583	0.7
283.17474	57.2
284.17834	0.5
299.06113	0.6
341.21637	72.2
342.21774	0.7
458.04715	0.5
520.29163	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.2
55.33327	0.1
56.05033	0.5
57.03417	0.2
58.06298	0.1
58.06619	0.4
59.07371	0.1
60.08151	5.9
67.05488	0.5
69.07048	0.3
69.94395	0.4
71.07359	2.6
79.05478	0.2
81.07040	0.6
83.08602	0.2
86.09686	30.5
87.10004	0.1
93.07013	0.2
95.08572	0.4
98.98444	2.5
104.10720	2.8
105.07043	0.1
107.08603	0.1
109.10134	0.1
109.64241	0.1
119.08623	0.1
124.99974	20.6
143.01015	0.3
147.11774	0.1
184.07297	100.0
185.07594	0.4
258.11032	0.2
272.88959	0.1
502.32819	0.9
520.33856	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	520.339
Annotation	2-linoleoyllysophosphatidylcholine
Peak:m/z	Relative Intensity
50.55740	0.2
55.05494	1.1
56.05017	1.2
57.03425	0.6
58.06567	1.8
59.07378	0.4
60.08152	17.8
67.05492	3.5
69.07040	1.3
69.31700	1.4
69.32123	0.8
70.06561	0.3
71.06985	0.3
71.07362	6.1
79.05474	1.0
81.07040	2.9
82.04496	0.2
83.08603	0.4
86.09689	52.3
91.05457	0.5
93.07034	1.0
95.08588	1.8
97.10085	0.3
98.98447	3.3
103.43851	0.2
104.10722	97.7
105.07027	0.5
105.11115	0.3
107.08597	0.4
109.10146	0.4
121.10067	0.4
124.99977	29.6
133.10104	0.3
143.20639	0.3
163.01578	0.6
166.02568	0.3
179.49091	0.2
184.07304	100.0
185.07545	0.4
208.38730	0.2
258.10983	1.1
304.96469	0.3
337.27408	0.7
403.44611	0.2
443.25558	0.3
445.28043	0.3
500.90051	0.3
502.32803	9.5
503.33704	0.3
520.33887	41.4
521.34161	1.1
533.02637	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	2.0
55.05495	2.0
57.03431	3.5
59.04976	1.3
61.02889	1.2
67.05476	2.3
67.55214	0.6
69.03416	30.0
69.07059	4.1
70.06563	2.2
70.99285	2.0
71.04978	1.4
72.08111	0.9
73.02909	6.8
79.05454	2.6
81.03386	1.6
81.07034	4.6
82.06577	0.9
83.04950	4.3
83.08604	0.9
84.04453	0.8
84.08105	1.2
85.02889	9.5
85.06512	2.3
86.09678	1.7
87.04415	1.1
91.05465	3.1
92.05756	0.8
92.16671	0.7
93.07018	2.6
95.04961	1.5
95.08601	6.9
97.02873	7.1
97.06516	3.7
99.04449	0.8
105.07021	4.2
107.08584	8.3
109.06503	3.9
109.10123	2.4
110.07126	1.4
111.08073	2.0
115.03896	2.9
117.05522	1.0
117.06962	0.8
119.08556	2.4
120.08089	0.9
121.06465	1.9
121.10126	6.8
123.08027	2.0
123.11697	4.4
125.05961	2.8
125.09609	13.5
127.03918	3.4
130.08588	0.9
131.08521	2.9
133.04916	3.0
133.10144	3.4
135.08049	7.4
135.11655	4.4
137.05969	1.5
137.09601	1.3
143.07005	1.1
143.08557	1.5
145.04912	2.3
145.10086	3.0
146.10356	1.0
147.04332	0.7
147.11644	2.4
149.09608	4.3
149.13188	2.3
151.07533	1.2
151.11188	1.0
153.09077	5.0
153.10114	0.8
158.10832	1.5
159.11647	1.1
160.12012	0.9
161.05925	1.0
161.09528	0.9
161.13295	0.6
162.05389	1.0
163.06007	1.2
163.11115	2.0
163.14786	3.3
165.12726	2.5
167.05701	1.1
167.06989	4.4
171.63843	0.7
173.09554	1.7
173.13231	13.3
174.09952	1.0
176.11981	1.0
177.05397	2.0
187.11165	1.3
188.11581	1.0
191.14275	55.3
203.06961	0.9
206.12558	1.3
209.15327	100.0
210.15675	1.1
215.10751	0.9
216.11040	1.0
221.85063	0.9
234.11969	1.0
241.06917	0.8
303.04739	1.4
331.95981	0.7
373.17719	1.1
463.77823	0.7
520.26758	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.7
53.78349	0.6
53.86144	0.5
55.01856	1.2
55.05496	1.3
57.03417	2.2
57.07047	1.5
59.04974	1.8
61.02910	1.9
65.41228	0.6
66.57111	0.6
67.05474	2.9
69.03419	31.0
69.07045	2.7
70.06562	1.1
70.77298	1.8
71.04995	0.9
73.02895	6.7
74.15505	0.6
76.02190	0.7
76.95246	0.6
79.05486	1.7
81.03393	0.8
81.07045	5.0
82.06030	0.6
82.06525	0.9
82.40997	0.6
83.04983	3.2
83.08605	1.1
84.08112	0.8
85.02891	9.6
85.06506	2.9
87.74541	0.6
91.05452	2.1
93.07041	4.1
95.04950	1.9
95.08609	5.6
97.02885	6.2
97.06524	3.2
99.04429	0.9
103.03918	0.8
103.05427	0.9
105.07003	3.3
107.04979	0.8
107.08588	7.4
109.02864	1.1
109.06496	4.6
109.10140	1.8
110.07118	2.1
111.08012	2.0
115.03913	3.1
119.08551	2.7
120.08133	0.7
121.06471	2.2
121.10126	7.4
123.08043	1.7
123.11685	5.0
123.14428	0.6
125.06002	1.2
125.09610	13.3
127.03897	2.9
129.86052	0.7
130.08612	0.8
131.08557	4.4
133.04955	2.2
133.10071	4.1
135.08034	7.4
135.11661	4.6
137.05919	1.6
137.09546	0.8
138.06290	0.7
143.08458	0.9
145.04951	3.2
145.10095	2.7
146.10399	1.0
147.11678	2.0
149.09621	5.1
149.13237	2.8
151.11209	1.1
153.09099	5.4
158.10869	1.9
161.05917	1.0
162.05455	1.2
163.05910	0.8
163.11179	1.7
163.14755	3.7
165.12732	1.8
167.07033	3.0
168.07349	0.7
173.09625	0.8
173.13243	13.7
177.05449	2.2
191.14278	55.2
192.14610	0.9
207.13847	0.8
209.15335	100.0
210.15520	0.9
251.12805	0.7
259.07867	1.1
303.05035	1.5
303.22943	0.7
373.17938	1.3
484.23254	0.8
520.26349	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.9
55.01880	0.4
55.05260	0.4
55.05501	6.0
57.03188	0.5
57.03428	6.3
57.07049	0.7
60.04496	0.5
60.08152	2.3
65.03917	1.1
67.05492	25.6
69.06715	0.5
69.07060	6.2
71.04977	1.0
71.07346	1.0
79.05482	12.5
81.07043	23.2
83.04961	0.4
83.08589	2.1
86.09692	11.0
87.10008	3.7
88.03978	5.7
88.10339	0.5
88.25301	0.4
91.05463	6.1
93.07027	14.2
94.85201	0.4
95.04941	1.2
95.08591	19.8
97.06469	0.6
97.10149	0.8
98.20791	1.1
98.98450	5.2
104.10721	1.4
105.04500	0.4
105.07004	3.7
106.05008	1.0
107.04990	0.4
107.08584	6.5
109.06535	0.5
109.10144	5.2
117.06989	1.4
119.08561	2.8
121.10132	4.5
123.08020	0.6
123.11683	2.0
124.99982	6.8
126.00304	1.0
127.00401	1.3
131.08522	1.5
133.10100	1.9
135.11673	2.6
145.10066	1.1
147.11617	1.3
149.13248	1.1
159.11555	0.8
161.13290	0.4
163.14836	0.6
173.02103	0.6
173.13289	0.6
184.07304	29.5
185.07657	12.5
186.07764	8.9
243.21040	0.9
260.05392	0.5
261.22186	0.9
305.67639	0.4
335.25735	100.0
336.26132	1.8
348.01624	0.5
348.25266	1.6
502.31458	0.8
520.32599	2.2
541.19525	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
55.05505	6.1
57.03187	0.6
57.03431	6.2
57.07059	0.6
60.04506	0.6
65.03919	1.4
67.05496	26.2
69.03379	0.4
69.06719	0.7
69.07059	7.7
69.34280	0.3
70.02930	0.6
70.66414	0.4
71.04974	0.9
71.53352	0.5
79.05484	13.8
80.09374	0.4
81.07043	24.0
81.96943	0.4
83.04968	1.0
83.08614	2.4
83.59417	0.4
84.08133	1.0
85.06534	0.7
88.03979	5.8
91.05455	6.0
93.07032	14.8
95.04949	1.4
95.08592	19.3
97.06523	1.0
97.10180	0.9
98.98454	4.4
105.07021	4.4
106.04989	0.9
107.08580	6.7
108.12811	0.4
109.06455	0.6
109.10145	6.7
111.08062	0.6
116.74512	0.4
117.06984	1.4
119.08585	3.4
121.10128	5.1
123.08114	0.5
123.11690	1.9
131.08549	1.4
133.10075	1.9
135.11647	2.5
137.13248	0.5
145.10110	1.2
147.11687	1.0
149.13251	1.0
155.01155	0.5
159.11664	1.0
161.13213	0.9
163.14786	0.8
166.04283	0.4
167.05579	0.4
173.02025	1.2
173.13261	1.0
175.14771	0.5
176.12750	0.5
184.07327	1.0
190.45102	0.4
260.05283	0.7
261.22031	1.4
308.97824	0.4
335.25745	100.0
336.26059	1.6
348.25262	1.9
379.92847	0.4
492.24622	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.9
55.05260	1.7
55.05499	14.6
55.65252	1.5
57.03432	1.1
57.07053	4.5
61.02918	1.3
67.05496	7.3
69.03407	5.4
69.07060	12.6
70.82709	3.3
71.04978	2.8
71.08604	1.3
71.81081	1.2
73.02911	2.0
79.05476	7.3
81.03400	4.7
81.06583	2.0
81.07040	28.4
83.04955	2.1
83.08611	13.2
84.08116	2.5
85.02898	12.6
85.06528	3.8
87.00824	3.2
91.05475	4.3
93.07023	25.7
95.04943	2.2
95.08591	33.0
97.02841	5.6
97.06508	5.4
97.10148	17.4
99.04443	2.4
99.08117	1.3
105.01847	2.4
105.07005	12.8
107.07868	2.1
107.08575	39.5
109.02858	3.9
109.06499	2.1
109.10130	21.1
111.08044	2.8
113.05991	1.3
113.09628	3.4
115.11170	3.9
115.56203	1.1
119.08560	18.7
121.06489	2.5
121.10117	47.7
123.08081	2.9
123.11694	17.4
125.09600	2.1
127.03874	6.1
127.07526	1.3
130.80101	1.3
131.08540	2.7
133.10098	9.8
135.07993	6.6
135.11682	17.7
137.05981	1.5
137.09624	1.9
137.13266	1.8
139.07504	11.7
139.11211	1.4
141.09052	3.9
145.04933	2.4
145.10092	3.7
147.11682	4.1
149.09595	4.8
149.13231	3.0
153.09090	17.6
155.10637	4.4
159.11624	5.5
161.09581	1.4
161.13229	18.1
162.07559	2.4
163.11162	3.9
167.10631	10.2
169.12173	1.9
173.13164	2.2
175.14848	10.5
177.16356	78.3
178.73874	1.2
179.10619	1.1
181.08591	4.2
181.12212	16.1
189.16345	16.7
191.17906	8.5
195.13753	1.3
195.17482	2.2
199.14784	1.4
201.16353	11.0
209.18962	3.3
217.15822	5.1
217.73627	1.2
219.17403	33.5
235.16718	1.1
237.18452	71.0
247.65292	1.2
255.19514	100.0
256.00421	2.0
261.85120	1.3
300.06009	1.8
309.20584	2.5
345.20587	1.5
423.23740	1.8
467.22549	2.3
520.22760	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.6
55.01854	1.7
55.05493	3.6
57.03425	10.8
59.04984	1.0
61.02899	2.6
67.05492	4.0
69.03423	3.5
69.07051	3.6
70.06575	1.9
70.79639	2.0
71.01353	0.9
71.04983	2.6
73.02904	2.9
75.04458	0.9
78.03198	0.6
79.05474	6.8
81.03387	1.2
81.06575	1.1
81.07038	18.4
82.06573	0.7
83.04957	4.6
83.08599	1.3
84.04489	1.1
84.08119	1.5
85.02889	9.0
85.06522	2.1
86.06040	0.8
91.05434	6.5
93.07027	19.0
93.07619	1.0
95.01327	3.0
95.04945	5.1
95.08582	8.2
97.02868	2.3
97.06518	6.9
99.00787	0.8
99.04440	5.2
99.08025	0.7
100.11237	0.6
101.05376	0.7
101.05959	1.2
103.03909	2.0
103.05489	0.8
105.07002	20.8
107.04943	1.3
107.08578	18.2
109.02840	1.1
109.06500	7.3
109.10151	3.8
111.04420	1.2
111.08054	1.7
113.02337	2.7
113.05969	0.9
115.07600	0.8
117.05471	72.1
119.04916	1.4
119.08556	12.2
120.08049	0.8
121.06484	7.4
121.10118	7.3
123.08045	3.1
123.11677	4.3
125.05949	1.5
125.09627	0.8
127.03905	2.0
127.07536	3.1
129.06985	1.2
130.08636	1.1
131.03397	3.2
131.08553	2.7
133.06473	1.1
133.10107	7.1
135.08040	5.9
137.05931	3.8
137.09602	0.9
137.13202	1.9
139.07509	2.3
141.01831	5.1
142.07712	1.5
143.08528	2.0
145.04872	1.5
145.10106	4.0
147.08058	1.7
147.11658	38.5
149.09592	0.8
149.13246	1.8
153.09052	1.4
155.08481	0.8
157.08675	1.3
157.10086	4.9
159.02856	1.8
159.08031	0.8
159.11661	1.5
161.09558	0.7
161.13219	2.2
162.07591	2.8
163.11148	1.2
165.12712	24.5
167.05452	1.5
171.06483	1.4
171.10103	1.6
171.11641	4.0
173.09534	1.0
173.13266	1.1
175.07590	0.9
175.11156	14.8
187.11099	0.8
189.12721	5.7
190.35942	0.6
193.04921	1.4
193.12202	17.6
197.13255	0.7
199.11156	2.9
201.16347	2.1
207.13766	1.8
211.13248	14.2
217.12192	7.1
219.17430	1.7
229.14322	1.2
231.04918	0.6
235.13234	4.0
237.18468	1.9
253.14236	4.1
256.00290	1.5
293.08673	2.5
300.06119	0.8
309.16901	100.0
310.17169	1.8
322.23019	0.8
327.17947	36.5
328.17978	0.6
340.24191	0.9
358.07196	0.9
467.19067	1.1
485.20123	4.6
503.20697	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.2
55.01863	1.1
55.05503	4.2
57.03426	11.2
58.09808	0.7
60.24812	0.5
61.02904	1.9
65.03904	0.8
67.05489	6.2
69.03410	3.0
69.07051	4.0
70.06569	1.2
70.17953	2.0
71.01325	1.0
71.04959	2.0
73.02892	3.2
74.06082	0.7
75.04484	1.2
79.05471	6.8
81.03389	1.3
81.06589	0.9
81.07043	16.4
81.07512	1.0
83.04966	3.9
83.08606	1.1
84.04485	0.7
84.08119	1.6
85.02891	8.0
85.06510	3.0
86.06040	1.7
86.09670	1.3
87.00838	0.6
89.06054	0.7
91.05420	4.6
93.07027	19.3
95.01295	1.9
95.04956	4.6
95.08586	8.0
97.02843	1.9
97.06521	5.5
99.00825	0.7
99.04442	4.1
101.06005	1.3
103.03936	1.3
105.01870	1.2
105.07012	19.1
106.07360	0.7
107.04937	1.0
107.08568	17.5
109.02862	0.9
109.06502	6.9
109.10146	4.0
111.04433	0.8
111.08057	1.6
113.02343	3.2
117.05470	74.7
119.04935	0.8
119.08551	9.8
120.08862	1.2
121.06479	6.0
121.10120	5.6
123.08020	3.8
123.11695	4.0
126.05506	0.7
127.03870	2.1
127.07532	1.6
127.11166	0.8
129.05440	1.3
129.06992	0.8
130.08621	1.1
131.03352	2.3
131.04892	1.0
131.08524	2.2
133.10117	6.6
135.08023	5.7
135.11650	1.6
136.07530	0.7
137.05956	4.3
137.09570	1.4
137.13219	1.0
139.07516	2.4
141.01813	3.9
143.08540	2.2
145.04858	1.3
145.10091	4.3
147.04326	0.9
147.08044	1.6
147.11658	30.6
147.86713	0.6
148.11934	0.8
149.09605	1.3
149.13271	1.6
151.07520	1.0
151.11171	0.9
153.09085	0.7
157.08682	1.3
157.10080	3.3
158.97650	0.7
159.02870	1.4
159.08026	0.9
159.11676	1.2
160.35789	0.6
161.09552	1.3
161.13187	2.8
162.07585	3.0
163.11154	1.3
165.12729	20.5
167.05640	0.8
171.10236	1.3
171.11638	5.0
173.09601	0.8
173.13228	0.9
175.09752	1.4
175.11156	14.2
178.82881	0.8
189.12685	5.5
193.04932	1.7
193.12201	16.1
199.11153	2.3
201.16403	1.6
207.13751	2.4
211.11345	1.0
211.13263	12.2
217.12192	6.7
219.17332	3.1
229.14319	1.3
235.13211	4.8
237.18404	2.5
253.14340	4.5
256.00345	1.9
286.00046	0.7
293.08606	2.9
300.06384	0.8
309.16888	100.0
310.17270	1.8
327.17963	37.4
328.18378	0.9
340.23676	1.2
358.07275	1.6
485.19968	4.8
503.20837	1.3
520.20612	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40605	1.6
53.03927	5.0
55.01852	4.3
55.05498	11.0
57.03423	2.9
57.07043	2.1
59.04979	2.4
61.02911	2.4
65.03917	3.3
67.05501	13.7
69.03412	15.2
69.07050	22.9
70.06570	4.3
71.04990	10.0
71.09037	3.8
73.02909	2.6
75.49337	1.8
79.05473	17.6
81.03398	10.1
81.07045	34.8
83.04974	29.2
83.08588	8.0
84.08118	4.0
85.02891	50.4
85.06535	10.4
86.09689	5.0
91.05434	16.4
93.07027	35.3
95.04962	11.3
95.08588	32.2
95.39701	1.8
97.02888	10.9
97.06507	29.7
97.10152	5.9
99.04424	28.6
99.08076	20.6
101.55499	1.7
103.03921	67.7
103.05428	2.5
105.07007	37.0
107.04947	3.9
107.08571	42.2
109.02834	9.8
109.06496	19.8
109.10121	11.1
111.04410	2.5
111.08065	12.2
115.05407	2.0
117.06992	6.8
119.04921	8.7
119.08581	11.9
121.06479	18.6
121.10115	49.0
123.08041	5.2
123.11709	3.2
125.05975	41.5
125.09599	8.1
127.03896	59.7
127.07529	5.2
128.06197	2.8
129.06981	2.6
130.07751	2.4
131.04819	2.0
131.08527	14.1
133.05025	1.9
133.06479	6.4
133.10101	10.4
135.08040	4.5
135.11653	13.3
137.05949	25.0
137.09573	1.9
137.13260	6.0
139.07509	5.9
141.01715	1.9
141.06918	2.1
143.07011	30.7
143.08580	3.9
144.09276	3.2
145.04938	35.8
145.06425	5.2
145.10088	54.7
147.04329	2.3
147.07930	2.4
147.11681	7.1
149.13235	5.2
151.07513	7.9
151.11145	2.2
154.07678	2.0
155.10606	2.3
157.08597	4.5
157.10033	2.8
158.07231	3.9
159.07982	4.0
159.11646	23.7
160.12082	1.8
161.06001	3.5
161.09621	2.5
161.13164	2.2
163.04706	2.6
163.06001	38.3
163.11139	23.6
167.05589	1.9
167.07030	3.5
169.10100	4.9
172.08833	2.8
173.09584	31.6
175.07574	3.3
177.05412	3.5
177.12856	8.1
177.16353	100.0
179.08498	1.9
187.07556	2.0
187.11134	40.1
189.12758	3.4
191.10594	16.1
195.17409	25.9
197.09569	7.6
201.16292	2.2
203.06845	2.0
205.07011	3.9
205.12186	36.7
209.11781	5.2
213.18459	42.1
215.10619	45.6
223.13257	5.9
233.11673	49.5
251.12749	20.1
253.21625	3.5
262.09927	1.8
269.13736	12.6
271.05832	21.2
289.09250	3.4
299.06229	3.2
303.23160	2.8
307.10074	8.4
307.15320	2.8
321.24179	3.6
325.16415	12.2
337.91901	1.9
343.17538	3.1
354.10611	2.0
448.14935	2.9
501.19193	2.7
519.19586	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	519.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51538	1.8
53.03922	5.5
55.01852	4.9
55.05497	13.8
56.86628	1.7
57.03422	3.4
59.04988	4.3
62.14314	1.6
65.03901	2.1
67.05485	13.7
69.03408	16.4
69.07050	27.5
70.06576	3.5
71.01332	2.1
71.04984	13.7
71.53507	3.0
79.05463	18.3
80.96724	2.0
81.03391	9.7
81.07033	30.5
83.04964	35.0
83.08595	8.4
84.04489	2.7
84.08105	3.2
85.02883	55.6
85.06494	10.0
86.09683	2.6
91.05439	16.7
93.06467	2.6
93.07025	34.4
95.01332	2.4
95.04950	15.7
95.08590	35.8
97.02861	15.5
97.06510	29.2
97.10147	6.1
99.04433	30.5
99.08080	19.6
103.03918	65.0
103.05412	3.9
105.07001	35.4
106.07338	2.4
107.04935	5.8
107.08569	43.3
109.02866	10.7
109.06500	16.1
109.10138	15.1
111.08080	12.0
113.06023	1.7
113.09601	3.2
117.06973	6.5
119.04906	9.6
119.08566	12.9
121.06477	19.2
121.10116	55.2
123.04423	3.3
123.08039	3.1
123.11663	3.1
125.05964	41.0
125.09559	10.3
127.03886	63.6
127.07514	6.7
128.06195	2.1
129.06940	3.7
130.04930	2.8
130.07745	4.6
131.04897	3.9
131.08510	16.4
133.06435	4.1
133.10092	9.9
135.08008	6.1
135.11664	18.0
137.05954	23.1
137.09628	2.2
137.13220	6.7
139.07507	2.5
141.01805	4.7
141.06914	3.3
143.07011	27.2
143.08511	6.4
144.09245	2.6
145.03888	3.3
145.04922	37.3
145.06453	6.9
145.10097	53.7
147.04305	2.3
147.08054	3.2
147.11656	8.6
149.09628	4.6
149.13239	5.0
151.03928	2.0
151.07471	9.2
155.08496	4.3
157.08604	3.7
157.10089	2.9
158.07225	4.3
159.07985	5.0
159.11661	22.4
161.05937	5.2
161.09552	4.1
161.13246	4.3
163.05997	44.0
163.07381	4.3
163.11140	22.5
167.05521	3.5
167.06935	3.7
169.10103	5.9
171.07982	2.5
171.11676	2.6
173.08093	2.5
173.09578	34.3
173.13155	2.2
175.07397	2.1
175.11067	1.9
177.12833	11.0
177.16339	100.0
179.06967	3.1
187.06026	4.1
187.07489	2.4
187.11133	39.1
187.14748	2.2
189.09042	1.7
189.12704	3.8
191.10599	16.1
191.14278	3.6
195.17392	27.6
197.09558	5.7
205.07024	3.6
205.12190	38.4
209.11642	5.7
213.16426	2.7
213.18443	51.3
215.10628	46.8
216.10825	2.7
223.13225	6.6
233.11668	44.5
234.11966	2.1
251.12698	23.7
269.13730	10.5
271.05850	21.6
271.07834	2.2
280.68271	2.0
289.09006	4.3
299.06168	4.5
303.22940	2.6
307.10013	12.6
307.15265	3.9
321.24146	4.0
325.16443	13.8
343.17392	4.3
359.27029	2.1
373.17795	2.9
448.14780	2.1
487.17209	2.7
501.19077	2.9
519.18744	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	518.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.2
56.05020	0.5
57.03415	0.1
58.06616	0.4
59.07390	0.1
60.08150	6.2
61.25871	0.1
66.92535	0.1
67.05489	0.5
69.07037	0.1
69.38892	0.6
70.06578	0.1
70.47952	0.1
71.07359	3.0
79.05463	0.3
81.07023	0.4
86.09686	30.2
87.10028	0.1
87.52683	0.1
91.05449	0.1
93.07011	0.3
95.08576	0.3
98.97768	0.1
98.97954	0.0
98.98438	2.6
104.10721	2.9
107.08548	0.2
109.10143	0.1
121.10138	0.1
124.99974	20.0
143.01012	0.3
151.15941	0.1
166.02557	0.1
184.07297	100.0
185.07668	0.6
258.10980	0.1
265.41766	0.1
335.25714	0.2
500.31287	1.1
518.32312	3.4
519.32434	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	518.323
Annotation	1-18:3-lysoPC
Peak:m/z	Relative Intensity
52.86442	0.2
54.97124	0.2
55.05489	0.6
56.05030	1.2
57.03424	0.3
58.06560	1.4
59.07365	0.3
60.08152	17.5
67.05492	2.9
69.07047	0.8
70.06559	0.3
71.07359	7.0
79.05473	1.8
81.07041	2.1
83.08607	0.2
86.09689	51.2
91.05470	0.7
93.07015	2.2
95.04949	0.2
95.08605	1.6
98.98451	3.5
104.10724	98.4
105.06984	0.5
105.11060	0.8
107.08575	1.1
109.10139	0.6
117.07034	0.3
119.08567	0.6
119.40045	0.2
121.10136	0.8
124.99980	28.5
125.49174	0.2
131.08568	0.4
133.10149	0.3
135.11679	0.5
142.64398	0.2
143.01054	0.2
145.10001	0.2
147.11739	0.2
149.13228	0.2
159.11658	0.2
163.01526	0.5
181.02496	0.3
184.07303	100.0
185.07533	0.4
226.91565	0.2
240.10057	0.2
247.20573	0.5
258.10931	1.1
335.25763	0.8
349.99545	0.2
416.04117	0.2
441.23743	0.3
500.31281	9.3
501.30966	0.3
518.32336	37.5
519.32690	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	519.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	4.1
55.01863	6.6
55.05499	8.2
56.68998	3.0
57.03419	7.3
59.04989	23.1
59.82069	3.4
67.05491	23.9
69.03408	23.5
69.07047	39.1
70.06586	16.1
71.04974	13.5
71.52663	3.6
73.02904	3.1
79.05470	28.9
81.03403	9.5
81.07027	34.9
83.04964	59.6
84.08125	12.5
85.02888	21.4
85.06512	11.0
86.09668	8.3
87.04436	47.3
88.04740	7.4
89.06015	18.6
91.05399	23.0
93.07020	44.1
95.01293	5.0
95.04947	35.1
95.08592	33.3
96.41338	3.4
97.02849	8.0
97.06509	58.1
99.04449	20.4
101.05981	4.4
103.03928	4.8
103.05429	5.5
105.01891	3.7
105.07012	71.1
107.04917	10.0
107.08572	31.6
109.02910	4.0
109.06483	31.2
109.10130	16.2
111.04413	5.0
111.08049	10.6
115.05405	5.9
117.05450	11.9
117.06969	12.7
118.05759	3.6
119.04895	7.0
119.08555	21.0
120.08102	5.0
121.06487	46.9
121.10101	27.0
123.07987	4.4
123.11677	9.4
125.05964	100.0
125.09611	4.8
127.03921	5.8
127.07570	6.1
127.11131	4.2
128.56593	4.0
129.05478	3.8
129.06908	8.3
130.07756	6.6
130.08611	9.3
131.08521	25.9
133.06430	9.0
133.08546	10.5
133.10088	16.2
134.08908	5.6
135.08028	9.4
135.11659	16.6
136.07698	3.7
137.05968	28.7
137.09581	9.7
139.07529	5.0
139.11134	5.8
141.01808	7.5
143.06999	63.9
143.08577	8.0
144.09291	6.1
145.06432	9.1
145.10080	94.6
145.11136	5.8
147.04366	4.3
147.07967	5.9
147.11668	23.6
149.09592	5.4
149.13121	4.2
151.07497	14.4
155.08513	4.7
156.09331	3.1
157.08597	7.2
158.07236	12.5
158.17828	3.7
158.64714	3.5
159.08047	12.6
159.11656	46.9
161.05963	8.0
161.09569	7.7
161.13181	7.4
163.11145	43.1
165.12788	4.4
167.05553	3.4
167.07030	7.8
167.10631	4.8
169.10106	12.5
171.11659	7.5
172.08775	6.1
173.09570	80.7
173.13275	4.7
177.05455	6.5
177.09160	3.1
177.11255	7.6
177.12723	20.6
179.08577	3.7
181.12222	4.7
181.94817	4.2
187.11133	80.4
189.12689	6.4
191.10605	27.1
191.14272	7.1
197.09602	10.0
199.14812	4.6
203.07030	5.1
205.12209	57.9
207.13695	5.3
209.11725	14.8
209.15352	4.7
215.10638	76.0
217.12216	4.6
223.13196	6.0
233.11653	59.1
233.13774	4.7
235.16803	5.1
251.12724	38.2
285.22003	5.6
299.06110	7.6
303.23001	20.0
307.15097	3.8
316.10818	3.9
321.24121	22.4
325.16367	19.4
339.25159	6.6
343.17404	12.0
357.13571	6.9
365.13715	4.5
502.29446	5.1
519.19818	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	518.3151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.9
55.01865	9.4
55.05490	2.1
56.05006	1.3
57.03425	4.1
59.04985	8.8
60.04495	0.9
67.05481	2.4
68.14748	0.7
69.03406	2.5
69.07045	2.8
70.06580	10.6
71.04995	1.5
71.52406	1.5
72.08133	2.8
73.02902	33.4
73.06535	0.8
74.02420	0.9
76.02217	1.3
79.05466	2.8
81.03395	1.6
81.07030	3.1
82.06557	2.8
83.04958	1.7
83.30995	0.8
84.04467	1.8
84.08125	8.8
85.02891	6.2
85.06520	2.1
86.09689	9.2
87.04447	11.0
87.10033	2.1
88.03952	0.9
89.06011	67.1
91.03923	1.0
91.05472	2.3
93.07030	5.1
95.04942	2.5
95.08600	3.0
97.02885	2.2
97.06506	1.6
98.05994	1.1
99.04434	100.0
99.08113	0.8
100.04794	1.2
100.07591	0.9
101.06001	2.3
102.05505	0.7
103.03929	6.9
103.07598	1.8
105.07025	3.3
106.06544	1.2
107.04921	1.2
107.07058	2.5
107.08572	3.3
109.02875	1.2
109.06502	1.6
109.10135	2.2
110.07140	0.9
111.08029	1.8
113.05980	4.6
113.39630	0.8
117.05466	61.3
117.09122	1.9
119.04906	0.9
119.08549	2.3
120.08118	0.9
121.06500	0.9
121.10127	5.0
122.05973	1.4
123.08064	1.0
123.11726	0.8
124.07562	1.7
127.03926	2.2
128.07036	1.4
129.05438	1.1
129.06970	0.7
129.89348	0.8
130.04987	2.2
130.08612	6.6
131.04843	0.9
131.07021	9.2
131.08549	1.6
132.08040	1.1
133.08577	38.2
133.10121	2.4
135.08028	1.7
135.11722	0.9
136.07539	2.4
137.05962	2.8
137.09599	1.4
139.07573	0.8
140.07030	1.1
141.05449	0.8
142.08696	0.9
143.07024	2.3
145.10101	1.4
146.08168	0.9
147.04393	1.5
147.06706	0.7
148.07567	0.9
149.09601	1.2
151.07585	1.0
153.09076	3.2
157.08597	6.7
157.09895	1.2
159.06516	1.1
159.11668	1.1
160.07529	3.6
161.05943	1.0
161.08093	8.6
161.09470	1.2
163.11307	1.1
164.07047	2.3
165.09138	0.9
166.08611	12.8
167.05638	1.5
167.07019	3.6
171.10121	1.0
171.11555	0.9
172.07658	0.8
173.12939	1.1
174.09166	2.3
175.06020	0.7
175.09709	3.9
177.11191	16.6
178.08624	1.6
187.09639	1.3
192.10124	1.1
201.05432	2.1
202.08714	1.0
203.07140	0.9
203.09109	1.5
205.10703	2.7
209.07878	0.9
213.10233	2.3
217.15887	0.9
219.12312	2.0
220.09637	7.9
221.13824	2.7
227.08203	2.7
237.10164	1.1
239.14766	1.5
241.09729	2.1
242.10341	1.0
243.11252	3.1
245.09259	1.1
246.07599	3.7
247.11252	1.0
249.13260	5.4
251.08247	1.3
255.11269	1.7
259.10782	2.9
264.08536	1.9
266.49512	0.8
267.11060	0.8
269.09116	5.0
283.10645	2.3
283.17444	3.1
285.12314	2.7
287.10229	4.5
287.13376	1.2
293.16061	1.2
299.06247	1.0
301.11755	9.2
302.12128	0.9
303.13284	10.7
307.09503	1.0
307.12747	1.8
311.10184	4.2
323.16043	1.0
327.12158	0.8
327.20142	1.6
328.18677	1.1
329.11243	29.6
329.15009	1.6
329.18948	1.5
330.11661	2.4
330.19290	1.1
335.09024	1.2
337.18549	0.9
347.12183	9.7
348.12616	1.3
355.11856	1.8
361.13861	27.2
362.14270	2.0
367.11783	2.8
371.22726	10.6
372.10748	0.9
425.23843	0.9
456.21332	1.5
468.17432	3.0
474.22229	2.8
483.27792	5.4
486.18604	5.0
501.28915	5.3
518.21039	1.1
518.30878	3.9
519.24493	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	518.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46005	0.7
50.64979	0.6
53.03946	0.8
55.01863	6.9
55.05499	2.5
56.05031	0.9
57.03426	11.0
58.99574	1.9
59.04990	16.9
60.04506	0.6
61.02912	0.9
65.03929	0.7
67.05489	1.7
69.03413	5.1
69.07044	1.3
70.06577	14.5
71.01344	0.9
71.04980	19.6
72.08130	2.5
73.02901	100.0
76.02211	11.1
78.64323	0.6
79.05477	1.6
81.03407	6.0
81.07036	2.6
82.06551	1.4
83.04960	1.5
83.08595	1.4
84.04484	5.2
84.08124	14.3
85.02887	29.1
85.06543	0.7
86.06046	1.6
86.09679	2.9
86.99094	0.9
87.00829	0.9
87.04456	6.0
89.06008	19.5
91.03935	2.8
91.05469	2.7
93.07016	0.8
95.04940	3.8
95.08582	1.4
97.02874	3.2
97.06516	1.1
99.04433	18.2
101.05996	0.7
103.03920	3.9
103.07592	1.2
105.07017	1.9
107.04942	2.2
107.07063	1.0
107.08585	1.2
109.02838	1.7
109.06493	1.3
109.10157	1.3
110.07178	1.0
111.04401	1.2
111.08087	1.3
113.05979	9.4
116.01663	2.9
116.07069	2.4
117.05469	34.5
117.09118	0.7
119.04896	1.5
119.08545	1.3
120.08103	1.3
121.02843	0.7
121.06522	0.6
121.10104	1.0
122.06000	1.1
123.04391	1.5
124.07547	0.9
125.05982	1.4
126.05476	0.7
127.03894	2.6
128.07057	0.8
129.05455	4.3
129.06970	0.6
129.10208	1.3
130.04974	2.3
130.08614	20.7
131.07013	67.1
132.04431	2.0
133.04898	0.8
133.08568	14.8
133.10109	1.1
134.04482	0.7
137.02303	5.5
137.05943	8.3
137.06921	0.8
140.07060	1.8
142.03230	1.3
144.01118	1.6
145.02885	0.9
145.04936	0.8
146.08096	1.0
147.04388	1.6
147.06441	1.2
149.06088	0.9
149.08174	1.2
149.09593	0.8
151.03874	26.0
151.04938	1.6
151.09576	5.2
152.04286	1.2
156.62746	0.6
157.06435	0.8
161.05991	1.4
161.08022	1.4
162.02159	5.3
163.03885	0.8
165.01768	0.9
167.06984	0.7
169.04947	1.5
175.07422	0.7
175.09662	1.9
175.11037	0.7
177.05507	2.3
178.04953	19.9
178.06473	1.2
179.04825	10.6
179.07098	1.2
187.05922	0.8
189.09294	1.2
189.11182	19.7
189.12947	1.1
191.07065	0.7
191.12737	4.6
193.12250	1.3
199.03818	0.7
203.07028	1.6
205.04971	1.3
205.10600	3.6
205.14366	1.2
206.04440	31.1
207.04784	1.8
209.13823	7.3
209.15364	1.4
211.09662	1.4
211.13280	1.7
215.07030	1.3
223.11638	1.1
233.05910	2.5
233.13879	0.7
234.41989	0.6
235.07542	0.8
235.09674	1.9
259.54846	0.6
263.14902	7.2
290.07935	0.8
295.08121	1.8
299.05795	1.6
308.09116	10.1
311.05469	1.0
315.04779	4.6
321.19086	4.6
327.05215	0.9
327.08673	2.1
329.06439	2.3
337.07053	1.8
339.20074	42.1
340.05801	1.6
343.08011	1.9
343.11862	0.8
345.05832	0.7
354.09683	5.7
355.08011	46.8
356.08273	3.3
357.13525	0.9
372.10690	62.1
373.11020	4.8
376.07968	0.7
385.12805	2.4
387.07111	0.9
451.80963	0.7
474.22385	1.1
518.16278	4.1
518.28333	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	518.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.7
59.04983	4.7
67.05492	1.4
68.01380	1.4
69.03425	1.1
69.07058	0.7
70.06580	5.2
71.04976	0.4
71.55378	0.8
72.08144	0.9
73.02889	0.8
79.05486	1.0
81.03394	0.6
81.07024	0.9
82.06567	0.8
84.04484	1.3
84.08119	2.9
85.02888	1.9
85.06496	0.4
86.09674	1.7
87.04450	1.4
88.03966	0.6
89.06010	2.2
91.05469	0.8
93.07029	1.6
94.06554	0.7
95.04945	0.9
95.08613	0.7
96.04497	0.7
97.02914	0.6
97.06483	0.7
99.04458	0.7
100.45577	0.5
101.06055	0.6
103.03926	1.4
105.07006	1.6
106.06526	2.7
106.07252	0.4
107.08570	0.9
108.08096	1.0
109.06467	0.6
110.02391	0.7
110.06047	0.8
112.44004	0.5
113.05217	0.5
113.06006	0.7
117.09100	0.8
119.08534	0.8
120.08086	1.2
121.10121	1.2
122.02367	0.7
122.06007	2.2
124.07626	1.1
130.08640	1.9
131.04846	0.5
131.08917	0.7
132.08083	1.7
133.08597	2.1
134.09622	0.5
135.11636	0.6
136.07561	3.0
137.05957	1.6
138.05458	0.7
140.07021	2.2
146.06050	0.6
146.08038	0.7
146.09634	2.1
148.07494	2.4
150.09097	1.5
151.07584	0.6
151.11192	0.5
153.09064	0.7
158.05885	0.6
158.08134	0.6
158.09579	0.5
158.97652	0.5
160.07536	11.2
161.05869	0.8
161.08055	0.9
161.09486	0.6
162.09013	0.8
164.07037	5.4
164.65157	0.5
166.08600	46.2
167.07069	1.5
170.09575	0.9
171.09067	0.9
172.07520	1.3
173.10756	0.6
174.09096	7.3
175.13298	0.7
178.08577	3.0
180.08746	2.0
182.04449	0.9
185.07056	1.2
186.05411	0.6
187.12238	0.9
192.10179	1.4
195.09166	1.1
196.05945	1.0
196.09935	0.6
198.09146	2.6
199.08595	5.3
200.06992	2.3
200.09256	0.7
201.10216	2.2
202.08679	2.9
203.07022	1.5
204.06577	0.7
206.08139	0.6
212.10812	0.7
213.08197	0.8
213.10164	8.9
214.08679	0.6
214.10939	0.6
215.08115	1.4
215.11778	3.9
217.09604	0.9
218.08051	2.7
219.08899	0.6
220.09642	28.5
223.08644	1.9
224.07066	0.5
224.09290	0.7
225.10191	1.2
226.08665	2.5
227.08075	7.1
227.11711	1.1
228.06520	2.2
231.11317	1.2
231.13530	0.5
232.09689	0.6
237.10260	3.8
238.08652	0.9
239.08070	0.8
240.10263	2.8
241.09679	11.9
242.10333	2.9
243.11256	9.3
245.09177	3.9
246.07561	14.3
251.08060	4.3
252.08870	0.8
255.11206	5.8
256.09537	0.6
257.12668	0.9
258.11224	0.7
259.10678	9.0
264.08630	4.6
265.09711	3.7
266.07922	0.6
266.10553	0.8
267.11285	1.8
268.09781	2.8
269.09152	17.6
270.07513	1.7
273.12250	3.8
283.10709	11.2
285.12296	9.8
286.10654	1.6
287.10211	13.6
287.13809	3.2
293.09003	1.1
301.11749	30.7
302.12094	0.7
303.13315	39.9
305.11536	0.7
305.14835	2.0
311.10175	16.7
319.12894	0.7
323.15985	4.5
329.11243	100.0
330.11478	1.5
339.23788	1.5
347.12305	30.9
361.13846	84.5
362.14157	1.0
367.11737	0.7
372.10681	0.9
424.18744	0.8
450.16345	2.1
468.17603	8.9
474.22150	1.4
486.18640	13.2
518.21191	1.8
518.28882	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	0.8
56.05000	0.8
57.03404	1.7
59.04992	16.4
61.02886	0.7
62.33676	0.6
67.05461	1.5
68.01363	1.0
69.03416	1.3
69.07034	1.4
70.06241	0.9
70.06580	10.7
71.04942	1.2
71.55370	1.0
71.55721	0.7
72.08150	1.0
79.05450	0.9
81.03396	0.8
81.07032	2.5
83.04980	1.0
84.04482	1.6
84.08134	20.9
85.02876	2.8
85.08472	0.9
86.06068	0.7
86.09659	2.5
87.04460	5.3
88.02191	1.2
89.05486	0.8
89.06017	14.9
90.06348	2.7
91.05434	1.4
93.07013	1.4
93.16309	0.7
95.04951	2.5
95.08582	1.2
97.02863	1.5
97.06548	0.8
99.04464	0.8
105.06992	2.1
106.06497	2.1
106.83504	0.8
107.04967	0.7
107.08578	1.7
109.02843	0.8
109.10178	0.7
111.08042	1.0
117.07026	0.7
117.08387	0.8
117.09077	4.9
119.08548	1.7
120.08087	1.8
121.10108	1.5
122.02454	0.9
122.06008	1.4
123.04395	1.5
123.08030	0.9
127.03869	1.2
130.05003	0.8
130.08618	37.2
131.08957	1.3
132.08047	1.4
132.09045	0.7
133.08600	7.6
133.10078	1.4
134.08902	1.4
136.07555	3.9
137.05948	2.9
138.05518	0.8
140.07021	1.5
146.09581	1.4
148.07541	2.4
150.05550	1.2
150.09082	1.6
151.07535	1.6
153.98967	0.7
158.06006	0.8
159.09186	0.9
160.07555	9.7
161.05986	1.0
164.07036	5.3
166.08614	36.2
167.07057	1.3
170.09610	0.7
171.09143	1.5
172.07564	2.1
173.10788	1.3
174.09077	5.4
175.03941	0.8
175.13286	1.9
176.10599	0.9
177.11145	1.8
178.04977	1.8
178.08594	3.9
178.11526	1.5
182.04506	0.8
185.07059	1.2
186.09102	0.8
190.08530	0.7
192.10098	1.4
198.09145	0.9
199.08655	5.7
200.07050	2.3
200.09297	1.0
201.05350	0.8
201.07561	0.7
201.10156	2.0
202.08623	2.2
204.06511	1.7
205.14229	0.8
206.04424	3.4
207.06538	1.2
212.10684	0.9
213.10222	8.2
214.08629	1.0
214.10968	1.3
215.08257	1.1
215.11816	1.7
218.08058	2.1
220.09659	28.5
223.08699	1.6
225.10146	1.5
226.08763	1.4
227.08157	8.1
227.11607	1.3
228.06476	2.6
228.08598	0.9
229.09793	0.9
231.11131	0.9
237.10184	2.6
240.10249	1.5
241.09685	11.1
242.08232	0.8
242.10416	3.1
243.11322	6.4
244.09677	1.1
245.09175	4.0
246.07591	13.5
251.08266	4.2
252.08875	1.1
255.11270	6.7
257.09085	1.1
259.10703	10.4
264.08591	5.1
265.09695	3.5
267.11264	1.8
268.09650	3.1
269.09207	16.3
273.12323	4.0
283.10681	12.9
285.12311	7.3
286.10458	1.1
287.10217	13.7
287.13809	4.5
301.11789	29.9
303.13333	31.0
304.13889	1.0
305.14746	3.5
311.10199	17.9
311.13593	1.4
319.12759	1.6
323.16068	4.1
329.11264	100.0
330.11511	2.2
339.23761	7.9
347.12317	28.2
361.13879	91.3
362.14178	2.6
385.12808	1.8
402.90771	0.7
450.16815	1.4
468.17749	9.3
486.18655	6.3
518.22333	1.3
518.29675	1.3
526.12476	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.6
55.01870	2.3
55.05505	11.2
57.03420	6.9
57.07054	5.0
65.20907	1.3
67.05492	31.2
69.03413	2.6
69.07058	17.7
71.04988	2.9
71.08614	7.6
79.05485	15.4
81.03399	2.0
81.06584	2.5
81.07043	42.8
83.04980	2.6
83.08607	10.9
85.06516	2.0
89.96063	1.2
91.05463	9.6
93.07021	19.5
95.04961	2.7
95.08590	33.0
97.06516	4.3
97.10149	6.5
99.08067	6.3
100.42477	1.2
105.07007	14.6
107.08560	16.7
109.06501	15.1
109.10128	16.5
111.08056	4.1
111.11781	1.5
112.99998	97.1
117.07037	3.2
119.08564	19.3
121.06425	1.8
121.10112	12.1
123.08054	27.3
123.11670	7.4
124.03927	15.6
125.04286	3.0
125.09625	1.6
131.01033	1.8
131.08527	6.5
133.10100	11.6
135.08023	13.2
135.11671	7.7
137.09599	2.9
137.13239	3.1
143.08565	1.8
145.10094	5.7
147.11671	8.8
149.09610	3.6
149.13231	5.8
151.11166	1.4
151.14809	2.7
154.34059	1.3
157.10100	2.1
159.11679	4.3
161.09618	1.9
161.13222	5.3
163.11140	1.4
163.14810	2.8
165.12740	2.6
165.16373	1.3
167.14366	2.2
171.11597	1.9
173.13210	3.0
175.14835	10.1
177.12714	5.1
177.16333	1.7
179.14282	38.6
179.17772	2.0
184.07385	3.1
187.03615	16.6
191.14365	1.4
193.15898	2.9
205.15854	7.7
220.46411	1.3
221.15219	1.7
233.19034	1.7
245.22574	11.3
261.22052	1.6
263.20071	2.7
263.23669	16.6
271.20474	1.8
275.20038	3.9
289.21603	10.1
293.21066	1.7
303.26828	3.8
319.22662	2.0
331.26266	58.7
332.26447	3.1
337.27347	12.6
347.25818	2.0
349.27304	7.8
355.28525	1.4
369.27893	1.6
375.28876	1.7
387.28854	8.2
405.29935	100.0
406.30399	4.2
443.08508	1.2
499.26831	1.6
499.33096	2.8
517.28998	18.2
519.91431	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	517.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	1.7
55.05507	7.9
57.03411	4.1
57.07059	1.9
61.31929	0.9
67.05495	12.3
69.07054	10.6
69.62564	6.1
71.04970	2.2
71.08618	4.7
79.05477	8.6
81.07043	18.6
83.04953	1.6
83.08606	3.9
84.24163	0.8
85.06525	1.7
91.05460	6.8
92.75446	1.0
93.07034	10.0
95.04935	1.4
95.08592	16.0
97.06511	2.9
97.10150	1.7
99.08065	2.5
105.06515	0.8
105.07028	9.5
107.08575	11.0
109.06503	11.9
109.10127	5.1
111.08043	2.2
111.11774	1.0
113.00000	100.0
117.07012	1.3
119.08561	12.0
119.62493	1.0
121.06484	1.3
121.10129	7.3
123.08041	26.7
123.11655	1.7
124.03902	1.3
125.09579	1.0
131.08537	3.5
133.10095	10.0
135.08034	14.2
135.11641	3.5
137.09596	2.5
145.10091	4.8
147.11661	7.3
149.09612	2.9
149.13235	3.5
151.11147	1.1
157.10173	1.2
159.11720	4.5
161.09541	1.5
161.13159	2.5
163.11116	1.5
163.14749	1.2
165.12682	1.7
167.14258	1.3
171.11630	1.1
173.13191	1.8
175.14798	13.3
177.12685	4.5
177.16415	1.6
179.14273	32.2
185.13271	1.0
185.81238	1.0
187.03648	16.3
191.14362	1.4
193.15852	1.9
201.16246	1.2
205.15829	6.9
219.17493	1.2
233.18864	1.7
247.20561	1.4
263.20090	1.9
271.24146	1.0
275.20071	2.6
282.88330	1.0
289.21628	9.7
292.07077	0.9
293.21127	1.9
303.26752	4.5
313.25369	1.0
319.22565	1.3
330.12308	1.0
331.26266	61.2
349.27246	7.1
361.27414	2.0
369.27878	1.6
375.28912	2.4
387.28894	9.2
405.29929	97.1
406.29938	1.3
423.31342	1.5
429.55441	1.0
499.28000	3.8
517.29047	15.0
517.36102	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	2.1
55.05506	7.7
55.05732	1.5
57.03434	5.2
57.07062	3.2
57.70924	0.9
67.05156	1.8
67.05492	19.4
68.05823	1.1
69.07056	11.7
69.38811	6.5
69.39245	3.2
71.04966	3.3
71.08614	6.3
72.71020	1.1
76.46063	1.0
79.05479	8.7
81.07036	23.5
82.07398	1.6
83.04951	1.3
83.08599	5.7
85.06519	1.3
86.09649	1.0
86.95159	1.2
91.05468	8.4
93.07026	13.7
95.04959	1.5
95.08588	22.0
96.08894	1.3
97.06508	3.6
97.10164	2.0
99.08076	4.3
99.51807	1.3
105.07010	11.7
107.08573	14.3
109.06506	11.4
109.10129	9.1
111.08054	1.6
112.99998	100.0
117.05472	2.1
117.06990	2.2
119.08554	14.0
121.06468	2.0
121.10123	8.6
123.08047	25.5
123.11693	4.0
130.07684	1.3
131.00989	1.4
131.08536	3.7
133.10098	10.2
135.08015	11.1
135.11688	4.6
137.09576	2.0
137.13216	1.7
145.10097	5.0
147.11679	7.2
149.09596	3.0
149.13217	4.0
157.10071	1.9
159.11687	4.3
161.09604	2.1
161.13217	2.8
163.11174	1.4
163.14885	1.5
165.12775	2.1
167.14291	2.5
169.02661	1.3
169.10086	1.3
173.13208	1.9
174.13747	1.4
175.14799	9.9
177.12659	4.8
177.16402	2.0
179.14288	35.2
184.07242	1.5
187.03642	14.2
187.14899	2.0
191.14130	1.6
193.15805	2.5
194.95868	1.0
203.14267	1.0
203.17886	1.5
205.15959	4.8
233.18846	1.6
247.20479	1.9
261.22147	2.0
262.22391	2.0
263.20093	2.3
263.22763	1.5
275.20065	2.7
289.21616	8.8
293.20975	2.0
303.26849	4.4
319.22522	1.4
327.42487	1.0
331.26257	54.6
332.26514	1.4
333.27869	2.0
349.27386	7.2
357.27621	1.4
361.26996	1.6
375.28677	2.0
383.31461	1.3
387.28897	8.2
405.29916	96.7
406.30225	2.5
425.32657	2.4
499.28262	2.1
517.29254	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	517.155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.5
56.05013	1.4
57.80017	0.8
61.02924	1.0
61.39597	0.8
65.50580	0.7
66.38824	1.0
69.03427	2.6
69.89344	4.8
70.06589	6.6
72.08150	4.0
73.02927	1.1
81.03399	1.7
81.72092	0.9
84.04482	1.6
84.08131	4.5
85.02885	6.7
86.09692	1.5
88.02238	1.1
89.97868	0.9
91.05453	1.6
91.30459	0.8
97.02872	2.6
98.20708	1.0
104.12937	0.8
105.07030	1.3
109.02872	1.9
110.07168	1.5
116.07024	1.1
119.04945	2.9
127.03887	1.3
129.10219	1.4
130.07732	0.9
130.08577	4.4
131.04900	1.3
131.08957	1.3
133.06424	1.2
137.05942	8.9
138.05452	0.9
143.04866	1.4
146.08104	2.5
147.04398	11.9
161.05951	4.9
165.05435	1.9
167.03333	1.1
167.06949	1.1
171.04379	2.0
175.03879	2.0
175.07478	1.1
177.05452	2.3
179.07028	11.7
181.04858	1.0
187.03839	1.0
189.05461	13.9
192.04236	1.1
193.04953	7.0
195.02885	1.5
198.19940	0.9
203.07047	8.8
205.04924	93.7
206.05711	10.1
207.06505	2.9
210.04320	0.8
213.05540	1.5
217.04924	18.1
217.08557	1.6
219.06509	3.9
221.08069	2.8
227.07002	1.9
229.04895	5.3
230.05606	1.9
231.02861	1.9
231.06487	19.7
233.04315	2.1
233.08034	1.0
235.05968	100.0
236.06424	1.3
243.06519	2.7
245.04332	1.0
245.07994	15.2
247.05998	2.3
255.06467	4.6
257.04459	2.0
259.05966	46.2
261.03943	1.7
263.05508	3.4
271.06003	9.8
273.07495	3.6
279.06366	1.1
283.05988	11.0
283.24939	0.9
289.07022	28.0
301.07007	20.6
314.12030	1.0
319.08084	22.1
323.07556	3.9
337.09113	32.5
341.12317	2.9
347.07483	1.2
355.10159	49.7
397.11267	2.1
517.15918	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	9.9
55.01855	5.1
55.05500	26.3
57.03422	12.5
57.07047	6.2
67.05495	84.3
69.03415	44.0
69.07054	22.7
70.81419	4.3
70.81738	6.7
71.04967	12.6
71.08603	4.2
79.05476	60.5
81.03400	62.1
81.06586	6.1
81.07043	100.0
83.04944	11.6
83.08595	17.0
85.02893	39.4
86.66283	3.6
87.04468	4.8
91.05463	46.7
93.07027	88.8
95.04954	14.0
95.08587	74.3
96.95327	4.4
97.02863	28.3
97.06484	4.9
97.10140	8.0
99.04452	7.7
99.08086	4.8
103.03911	5.8
105.04523	3.9
105.07003	52.1
107.04943	6.3
107.07877	4.5
107.08578	51.2
109.02866	19.8
109.06502	5.6
109.10120	32.4
111.04394	10.5
117.07001	24.2
119.08559	36.4
121.06488	8.4
121.10109	47.1
123.08064	7.2
123.11669	16.2
125.05938	3.8
127.03910	17.4
128.06274	4.1
129.06966	12.5
131.08514	33.2
133.10092	31.4
135.08031	10.4
135.11681	26.8
137.05951	4.8
137.09630	4.2
139.03799	4.9
139.11160	3.6
143.08516	15.2
145.04991	4.9
145.10103	39.1
147.11638	22.0
149.09546	6.0
149.13277	20.7
151.07574	4.5
155.07147	4.0
155.08464	8.4
157.06532	4.1
157.10089	14.6
159.11685	25.9
160.51057	3.6
161.09575	6.6
161.13242	15.1
163.14806	7.2
163.43391	4.1
167.08449	3.6
169.10072	8.6
171.11665	11.6
173.13191	23.3
175.11124	6.7
175.14795	6.6
181.10025	6.2
183.11671	10.4
185.09653	5.9
185.13165	7.9
187.14764	12.3
195.11679	5.8
197.13309	6.9
199.11137	4.6
199.14815	8.1
201.12701	4.6
201.16357	3.9
203.14352	5.1
207.13710	4.3
209.13293	4.7
213.12781	4.8
214.33072	3.8
223.14658	3.7
225.12788	3.4
230.14243	3.9
243.20920	6.2
259.20529	9.9
261.22098	24.3
271.20514	4.9
272.30768	3.4
273.21884	7.3
277.14322	6.2
277.21527	6.5
285.22058	5.0
289.21539	6.4
291.23019	6.7
301.21725	7.0
303.23187	20.7
315.23233	13.6
319.22690	4.5
326.13065	4.1
327.23151	10.0
333.45554	4.2
341.24652	11.4
345.23807	7.9
351.23062	16.1
369.24197	51.6
387.25229	46.3
396.18326	3.4
405.26151	49.0
423.27255	17.4
427.16086	6.4
428.16736	6.0
443.19089	15.8
476.71646	4.3
516.22540	23.9
516.37402	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.4
55.01836	0.5
55.05508	1.7
57.03419	0.4
57.07048	0.3
65.03930	0.2
67.05493	4.7
68.05001	0.2
69.03422	0.9
69.07042	1.1
71.01324	0.3
71.04982	0.3
71.55320	0.3
78.03398	0.2
79.05051	0.3
79.05479	4.2
80.05000	2.0
81.03393	0.3
81.07037	5.5
83.04961	0.4
83.08591	0.6
85.02866	0.5
85.10174	0.2
89.05988	0.2
91.05461	3.1
93.07026	5.3
95.04950	0.4
95.08591	4.3
96.04472	1.4
96.08885	0.2
97.02863	2.5
97.06519	0.5
97.10131	0.3
105.04530	0.2
105.07012	2.2
107.08577	2.3
109.06472	0.3
109.10117	1.8
111.07999	0.2
115.03900	0.3
117.06992	0.8
119.08548	1.7
121.10127	2.3
123.11729	0.5
124.03929	100.0
125.04279	0.3
129.06985	0.4
131.08551	1.4
133.10120	1.2
135.11647	1.5
143.08553	0.2
145.10062	1.0
147.11665	1.0
149.13226	0.7
154.94112	0.2
155.08487	0.2
157.10190	0.3
159.11671	1.1
161.13235	0.8
163.11108	0.2
163.14790	0.2
171.11617	0.2
172.95221	0.6
173.13234	0.6
175.14763	0.3
187.14755	0.3
190.96266	0.4
199.14737	0.3
210.97672	0.8
243.20979	0.3
261.22128	1.7
262.22528	0.3
277.47708	0.2
278.21802	0.2
289.22211	0.2
303.23279	0.3
336.26428	0.3
339.23334	0.3
357.24280	0.5
375.25085	0.4
379.50720	0.2
393.26251	0.4
473.19675	0.4
492.36365	0.2
516.24103	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32964	0.3
51.45684	0.3
52.78792	0.2
55.05493	0.3
56.05008	1.4
57.03411	0.4
58.63716	0.2
67.05486	0.6
68.73731	0.2
69.03423	0.5
69.07055	4.3
70.06583	1.2
71.04980	0.4
71.51305	0.6
72.08126	0.7
74.06075	3.0
79.05480	0.4
81.03399	0.6
81.07042	0.7
83.04953	0.3
83.08604	0.3
84.04472	0.2
84.08114	1.0
85.02894	0.4
85.06543	0.3
86.09688	100.0
87.04451	0.5
87.10011	0.4
91.05451	0.7
93.07023	0.9
94.83003	0.2
95.04965	0.4
95.08599	0.6
97.02869	0.3
97.06496	0.4
98.06049	0.8
103.03925	0.3
105.07018	0.6
107.04961	0.4
107.08585	0.5
109.06482	0.3
116.07073	0.7
119.08554	0.7
120.08022	0.3
121.10055	0.4
123.51299	0.3
126.04569	0.4
126.05479	5.5
128.07025	0.6
128.75716	0.2
129.10255	0.3
130.08632	1.1
131.08574	0.4
139.07286	0.3
143.08247	0.3
144.06548	0.7
157.13322	4.7
178.04895	0.3
185.12819	4.3
189.12296	2.8
195.11229	0.4
203.13675	0.3
206.04526	0.6
211.14392	1.1
239.13867	20.0
257.14914	15.2
260.16013	1.6
298.21118	0.4
300.19073	1.4
310.17465	0.6
328.18607	34.9
329.18790	0.3
363.74478	0.3
441.26932	1.8
516.19250	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.3
53.07691	0.3
55.05492	0.5
56.05014	1.9
67.05499	0.4
69.03408	0.7
69.54640	1.4
69.55061	0.8
70.06583	2.1
71.04974	0.3
72.08138	0.8
74.06059	0.3
79.05490	0.3
81.03389	0.6
81.07063	0.4
82.06561	0.7
84.04457	0.7
84.08128	51.1
85.02894	0.8
85.06510	0.3
85.08467	0.4
86.09696	1.9
91.05461	0.6
93.07020	0.7
97.06526	0.3
107.04915	0.4
112.07613	0.3
116.07091	0.5
119.08526	0.4
120.08084	0.5
121.06483	0.4
122.05977	0.3
125.09600	0.5
127.07544	1.0
129.10248	0.4
129.20920	0.4
130.08614	100.0
131.08931	0.7
136.07602	0.4
137.05942	0.4
140.07031	0.3
146.05988	0.4
146.08104	0.7
147.04413	0.6
148.07550	0.4
149.05974	0.4
159.11713	0.3
167.06985	0.3
173.12941	0.3
175.07571	0.3
177.05420	0.4
178.08606	0.3
183.06523	0.4
187.10840	0.3
192.07800	0.4
209.08029	1.3
210.08537	0.3
210.77031	0.3
231.61603	0.3
270.03015	0.3
285.11624	0.3
309.17880	0.3
313.11749	0.9
339.09454	0.4
498.27405	0.6
516.19562	0.9
516.28534	0.5
517.23303	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.17
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73259	0.2
55.05497	1.7
56.05022	2.1
57.71592	0.2
57.71878	0.2
60.40290	0.2
64.58522	0.2
69.28430	1.7
70.06578	0.7
74.02420	0.9
82.06061	0.2
82.06567	7.3
84.08129	55.8
85.08468	0.3
87.04442	0.3
100.07600	5.9
104.07092	0.6
112.07563	0.4
116.07072	0.6
119.04918	0.2
120.83381	0.2
128.07071	2.9
130.08618	100.0
131.08955	0.7
140.07053	0.3
146.08095	36.2
147.04379	0.6
147.08411	0.3
161.02998	0.3
162.03046	0.2
173.02902	0.2
174.89598	3.5
177.05487	0.3
180.05550	0.2
185.03020	0.3
185.26411	0.2
186.03069	0.6
191.70103	0.2
198.03035	0.2
204.04085	0.2
228.04074	0.2
234.05209	0.3
245.05066	0.7
246.05136	1.2
247.04768	0.2
260.92480	0.2
264.06177	0.2
276.06207	0.2
306.07242	0.4
313.11813	0.2
336.08258	0.3
366.09329	0.5
498.13199	0.2
516.11774	5.7
517.01410	0.2
517.11584	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21420	0.2
55.05265	0.3
55.05503	3.7
56.05021	1.3
56.96553	0.2
61.02934	0.2
65.36732	0.2
69.03426	0.2
69.19190	0.2
69.76758	1.1
70.06577	0.7
73.02905	0.3
74.02428	2.8
82.06566	20.7
84.08130	3.3
85.02885	0.5
87.04452	0.3
91.05442	0.3
97.02875	0.4
98.97556	0.2
100.07600	16.2
104.07107	0.3
111.15652	0.2
115.03888	0.3
116.07137	0.2
117.03354	0.6
119.04933	0.4
121.06512	0.6
125.52523	0.2
128.07056	8.8
130.08620	4.2
136.06142	0.4
138.09151	0.4
145.02817	0.8
145.04932	0.3
145.09686	0.4
146.08095	100.0
147.04376	1.0
147.08427	0.7
155.73651	0.2
177.05403	1.2
235.33755	0.2
246.05347	0.3
258.29987	0.2
393.12485	0.2
489.79205	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.2
55.01865	6.4
55.05500	2.8
57.03424	8.1
60.08142	2.0
63.14967	1.2
67.05492	2.8
69.03414	19.3
69.07051	1.7
70.06580	3.8
71.01349	7.7
71.04960	1.3
71.21861	2.0
71.22227	2.1
73.02910	3.6
75.04460	9.1
79.05479	16.7
81.03403	3.2
81.07045	8.7
83.04968	1.2
85.02900	12.8
85.04690	1.4
86.09692	3.8
87.04450	3.7
91.05459	17.8
93.07026	100.0
95.04951	9.9
95.08576	6.6
97.02876	15.3
99.04467	2.1
103.05460	1.8
104.10742	8.2
105.07018	9.6
107.08582	16.7
109.06505	1.5
111.04453	1.8
111.08061	8.1
115.03918	12.6
117.07020	3.5
119.08566	40.7
121.06480	1.7
121.10122	89.5
123.08028	2.7
124.97903	1.5
124.99964	1.5
129.06992	1.4
131.04842	1.2
131.08565	5.7
135.08037	2.2
137.05957	1.5
137.09566	2.0
139.11169	6.2
145.10097	2.6
147.08014	7.7
149.09587	22.7
151.07495	1.5
151.11150	1.4
159.11717	1.5
161.09644	1.6
161.13228	1.3
165.09100	4.1
167.10643	22.7
184.07304	7.1
191.10683	3.5
199.10915	1.5
206.04498	2.4
217.12196	1.5
233.15286	1.6
245.11691	2.0
263.12936	1.8
281.13785	82.8
299.14822	52.4
355.11450	1.6
443.75586	1.5
492.58490	1.6
516.30634	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	515.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59624	2.7
50.75188	2.5
53.03925	3.8
55.05502	19.2
55.05715	2.7
57.03422	14.6
58.73806	2.8
61.02903	5.8
65.03928	3.8
67.05495	90.6
69.03413	8.8
69.07060	19.9
70.78246	6.2
71.04968	6.7
74.06022	4.6
75.04465	2.8
79.05480	49.4
81.03395	5.2
81.07044	100.0
83.04969	4.6
83.08585	13.9
85.02882	15.1
85.06541	3.4
91.05467	36.0
93.07025	63.7
95.04942	7.8
95.08587	85.3
97.02871	10.3
97.06521	6.7
97.10136	5.7
99.08091	5.7
102.37448	2.8
103.03892	4.2
105.07008	25.1
107.04929	5.9
107.08580	50.0
109.06515	7.3
109.10143	45.7
111.08053	5.6
117.07001	17.6
119.08559	26.5
120.20850	3.0
121.06482	5.2
121.09323	3.7
121.10115	43.8
121.20681	2.7
123.08020	5.4
123.11668	19.8
129.06964	7.3
131.08537	25.5
133.10121	22.9
135.08049	5.6
135.11667	29.5
137.09517	3.9
137.13234	5.8
139.11095	3.4
142.07761	3.1
144.94806	2.9
145.10109	22.5
147.11635	19.3
149.13263	24.7
156.87672	3.1
157.10114	7.9
159.08061	3.5
159.11684	20.2
161.13261	14.1
163.14816	13.3
165.12717	5.9
171.11699	5.2
173.13255	17.7
175.14711	4.0
177.12781	4.8
177.16327	7.7
179.14301	4.1
185.13269	5.5
187.14798	15.9
201.16475	5.0
233.22575	5.1
243.21069	25.4
261.22101	80.6
279.23010	5.5
301.21600	5.0
303.23245	7.0
315.23416	5.0
317.24866	3.9
335.25583	23.4
345.23996	6.3
353.26782	26.2
369.23993	7.4
377.26938	6.4
387.25140	6.0
405.26111	7.4
419.27930	10.7
443.28110	6.2
461.29077	4.7
479.30084	5.1
497.31201	18.5
510.32358	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.2
55.05502	47.5
57.03429	28.4
57.07066	61.0
58.07661	1.3
59.04980	3.2
65.03921	2.3
65.81905	1.7
66.97677	1.3
67.05492	58.3
69.07056	68.4
69.40249	1.1
70.73122	3.7
71.04979	6.0
71.08622	34.4
73.02894	1.3
73.06537	2.0
75.04461	10.0
79.05474	20.4
81.07041	78.6
83.04955	6.3
83.08602	57.4
85.06521	3.0
85.10171	19.2
87.04462	1.9
89.06020	8.0
91.05473	3.5
93.07024	25.8
95.08592	71.1
97.06513	14.9
97.10150	41.3
99.08070	2.5
99.22546	1.3
101.06009	2.6
103.35564	1.4
105.06990	2.2
107.08575	23.3
109.10132	34.3
111.08070	7.3
111.11685	11.6
113.06002	3.7
115.07550	2.2
119.08569	2.1
121.10123	34.5
123.11697	12.3
125.09657	6.9
125.13263	3.7
127.21098	1.6
129.09068	2.2
131.07019	5.3
133.08585	2.1
135.11668	26.8
137.13216	7.9
139.11137	8.1
139.14807	1.4
147.11627	1.3
149.13216	16.5
151.14816	2.1
153.12714	6.7
157.12244	2.2
163.14822	7.7
167.14351	3.8
171.13779	1.6
177.11234	1.6
177.16385	5.3
181.15822	2.7
185.15399	1.9
189.16222	1.3
191.17934	3.3
195.17462	3.4
197.22621	1.4
199.16939	2.4
205.19453	2.0
209.18857	2.5
219.20979	1.8
227.19847	2.0
237.22052	1.7
249.22041	2.4
251.23694	2.3
260.98901	1.3
269.24942	1.7
303.30453	5.8
304.30411	1.4
313.28943	2.4
321.31451	13.7
331.29938	12.5
349.30963	32.7
349.34967	2.4
367.31897	2.5
379.79193	1.5
385.33063	88.3
386.33417	2.6
423.34604	53.8
441.35690	77.5
497.38339	39.4
515.39362	100.0
515.45313	3.9
516.39728	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	515.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
55.01856	1.9
55.05503	18.3
57.03428	7.9
57.07066	6.5
60.55217	1.2
60.90273	1.1
61.02903	4.7
64.76585	1.0
65.03925	2.4
67.05494	93.1
69.03426	5.5
69.07061	17.7
71.04966	4.3
71.08594	1.3
71.17384	1.1
71.17700	2.7
71.90824	1.4
73.02919	2.8
75.64110	1.2
79.05009	2.2
79.05478	55.3
81.03392	5.9
81.07042	100.0
83.04948	3.5
83.08597	10.0
85.02876	6.3
85.06514	3.4
91.03939	2.8
91.05462	32.3
93.07027	71.5
95.04959	7.6
95.08592	83.3
97.02863	5.7
97.06512	7.2
97.10163	5.6
99.04481	1.4
99.08060	4.7
103.03894	2.4
105.07014	25.6
107.08569	42.6
109.06480	6.5
109.10134	41.0
111.08056	2.4
111.11652	1.4
113.09602	1.8
115.05389	1.3
117.06992	12.2
119.08549	21.0
121.10125	40.4
123.04433	1.4
123.08060	3.7
123.11691	23.3
125.09619	2.3
127.03892	2.0
129.05495	2.2
129.06943	2.2
131.08540	24.7
133.10110	20.6
135.07976	3.3
135.10701	2.5
135.11671	29.6
137.09612	3.3
137.13217	8.2
139.11169	2.8
143.08565	3.4
145.06500	1.1
145.10088	16.5
147.11676	11.8
149.09567	1.2
149.13239	23.4
151.11154	2.3
151.14780	3.3
155.08517	1.7
157.10011	2.4
159.11662	16.3
161.13252	12.6
163.11153	2.5
163.14798	17.8
165.12679	1.6
171.11656	2.9
173.09552	1.1
173.13229	19.1
174.69179	1.1
175.07564	1.3
175.11176	1.7
175.14777	4.4
177.12750	3.4
177.16362	6.3
179.14238	3.5
184.49939	1.1
185.13278	1.6
187.14752	12.4
189.16310	1.6
191.14317	3.0
195.11862	1.3
195.13733	2.1
199.14806	1.8
201.16368	4.8
203.17807	1.4
205.15865	2.5
215.17929	3.1
219.17476	1.4
233.18916	1.3
233.22612	3.3
243.21056	30.8
261.22095	88.4
279.23102	5.6
281.87537	1.5
285.22006	2.2
290.87793	1.3
301.21521	2.0
303.23123	2.8
317.24622	2.7
319.77405	1.2
327.23328	1.4
335.25769	29.2
335.29846	1.9
345.24158	3.6
353.26807	24.5
363.25232	1.7
369.24191	3.8
387.25250	4.2
405.26303	2.9
419.27945	4.1
443.27563	2.5
461.28796	3.9
479.29901	1.7
497.30966	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	515.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06739	2.5
53.03924	7.7
55.01870	4.2
55.05501	21.1
57.03435	12.8
57.07052	8.7
65.03900	4.8
67.05495	96.4
69.03411	19.4
69.07060	23.3
71.04980	8.3
71.08609	4.9
73.02909	6.7
79.05479	60.1
80.05025	2.3
81.03418	23.2
81.07040	100.0
83.04961	5.1
83.08601	14.6
85.02892	9.9
85.06516	5.2
87.04453	3.0
89.06001	5.1
91.05468	41.3
93.07028	76.7
95.04956	10.2
95.08595	73.2
95.09105	2.3
97.02891	8.8
97.06512	8.5
97.10170	6.6
99.04439	5.5
99.08100	4.0
103.03944	5.5
105.07015	34.7
107.04931	3.2
107.08581	47.5
109.06503	3.6
109.10139	46.5
109.88856	2.6
111.04436	6.0
111.08034	4.6
117.06997	19.1
119.08558	28.8
121.06492	4.2
121.10120	43.2
123.08044	4.2
123.11687	23.4
124.03944	23.4
125.09621	3.7
127.03919	7.6
129.05464	3.4
129.06973	7.5
131.08553	36.7
133.10103	25.2
135.08025	3.8
135.11688	31.6
137.09618	4.8
137.13231	4.2
139.11172	3.5
141.06967	4.0
143.08557	11.9
145.10097	29.7
147.11650	20.6
149.09599	4.5
149.13219	23.5
151.14806	3.2
155.08511	3.6
157.06464	2.8
157.10081	6.8
159.07913	3.3
159.11650	24.0
161.13185	15.8
163.11232	3.1
163.14798	12.4
165.12740	5.0
169.10210	3.9
171.11661	7.4
173.09680	3.5
173.13237	16.3
175.11153	3.2
175.14821	5.0
177.16367	3.5
183.11646	4.9
184.07286	6.7
185.09564	4.1
185.13223	6.3
187.14764	7.7
191.14297	3.1
201.16447	4.7
210.97580	3.6
213.12488	2.9
241.19672	3.5
243.21046	18.6
259.20410	3.4
261.22134	70.9
263.23682	3.9
277.21576	8.3
279.23187	4.7
289.21567	3.3
291.23065	5.0
301.21487	6.1
303.23224	9.7
306.27777	4.8
319.22778	3.5
327.23160	6.3
335.25629	13.9
341.24573	5.7
345.24142	4.1
351.22971	6.4
353.26868	12.9
369.24170	28.3
387.25131	26.8
405.26300	24.9
423.27328	15.8
479.30447	3.7
497.30966	6.6
540.04883	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05477	0.5
57.07043	1.4
67.05475	1.1
69.07051	0.6
71.08605	0.7
71.53122	0.3
71.53516	0.5
79.05472	0.6
81.07030	0.8
83.08591	0.6
85.10176	0.7
87.04448	0.6
88.90786	0.3
89.06032	0.6
89.15433	0.3
91.05457	0.3
93.07027	0.4
93.73557	0.3
95.05002	0.5
95.08598	0.7
97.10148	0.5
130.08614	0.5
133.08591	0.8
145.85547	0.3
177.11224	0.6
185.04140	0.4
194.83209	0.4
195.48146	0.3
203.05212	1.1
248.74503	0.4
317.89008	0.4
515.31781	100.0
516.32104	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	5.5
55.01850	6.1
55.05511	24.2
57.03413	8.3
57.07054	4.5
61.02918	5.8
67.05494	86.0
69.03409	17.6
69.07046	17.9
71.04969	8.6
72.93034	3.8
73.02897	5.0
79.05483	59.5
81.03381	17.3
81.03800	3.8
81.07041	100.0
83.04960	6.6
83.08596	14.3
85.02882	10.3
85.06526	6.2
91.05490	36.2
93.06469	8.4
93.07025	77.7
95.04942	9.7
95.08053	6.8
95.08592	76.4
97.02850	6.0
97.06493	6.9
97.10146	4.4
103.03928	5.6
105.07007	38.3
107.04958	5.1
107.08572	49.5
109.06504	14.3
109.10134	43.3
117.06978	19.0
119.08569	34.5
121.06486	5.6
121.09337	4.5
121.10130	47.5
123.04368	4.1
123.08051	5.6
123.11684	17.3
129.06931	7.1
131.08536	32.5
133.10089	25.5
133.73495	3.9
135.08011	5.4
135.11667	35.7
137.09613	4.7
137.13264	7.2
143.08542	10.1
144.69955	4.5
145.10092	29.2
147.11665	21.7
149.09578	4.8
149.13231	20.9
151.11125	5.3
157.10114	7.5
159.11673	28.4
161.09605	4.6
161.13235	15.2
163.11275	4.5
163.14775	13.3
169.10176	4.8
170.63399	4.0
171.11697	8.9
173.13239	22.2
175.11076	4.1
175.14702	6.6
177.12663	8.0
177.16428	6.4
183.11723	7.1
187.14766	11.1
197.13263	5.8
201.12785	5.2
243.21069	24.7
261.22122	70.5
301.21390	4.9
303.23132	10.9
327.23276	6.4
335.25806	11.2
345.24228	9.8
353.26755	29.4
369.24347	8.5
387.25110	5.6
405.26334	7.3
419.28049	10.0
437.29019	5.2
443.27762	6.8
461.28766	9.7
479.29416	6.9
497.30783	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	513.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	2.5
55.47062	0.9
57.03420	1.8
57.07067	100.0
58.04217	4.8
59.04991	29.4
63.11563	0.9
63.44846	0.9
64.93351	1.0
67.05475	2.5
69.07069	5.3
69.36331	2.7
69.36752	5.0
69.60706	0.9
70.06569	1.3
71.04962	1.6
71.08621	81.3
72.05766	6.0
73.02892	3.6
73.06552	4.3
81.07030	3.0
82.07823	1.5
83.08612	4.6
85.10172	70.8
86.07300	1.4
87.04459	9.9
87.08073	1.8
88.05235	2.0
88.07613	3.9
89.06019	11.5
90.01902	28.6
95.08577	2.7
97.10143	3.1
98.20758	1.3
99.08044	1.3
99.11730	11.1
100.08907	1.1
101.05993	2.0
102.09168	2.3
103.07545	6.8
105.10676	1.0
109.10136	1.1
110.10934	1.0
111.11706	1.3
113.13242	2.9
116.08291	1.3
117.09135	7.1
133.08586	6.1
141.16374	4.5
147.10133	1.2
152.15613	1.9
154.92503	1.0
155.17938	7.0
165.11203	1.5
177.11212	1.7
178.07143	4.4
178.57175	0.9
179.12775	2.4
183.17436	3.9
190.15808	0.9
198.19887	1.1
199.20572	6.8
208.15373	1.3
209.13823	2.1
212.21257	2.1
213.22104	6.9
215.08372	0.9
222.09724	8.7
228.23227	1.3
240.10806	2.2
256.23962	1.4
256.26398	3.4
257.24634	3.2
257.26752	2.9
266.12344	4.8
283.26254	4.1
284.13376	6.6
284.26620	4.7
298.14944	1.7
319.28323	1.1
341.30585	1.1
342.17209	1.2
362.32660	5.0
481.07568	1.1
496.34473	1.8
512.50330	1.3
513.37103	2.8
513.50616	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99976	0.6
55.01844	1.0
55.05507	0.9
55.39422	0.7
67.05477	2.0
69.03403	1.0
69.07053	5.9
70.06579	6.5
70.64494	2.5
70.74284	0.8
72.08153	1.2
76.03961	0.7
79.05488	1.0
80.05005	2.8
81.07014	1.6
84.08138	3.8
85.02887	1.3
86.09688	6.5
89.62650	0.7
91.05458	1.7
93.07040	0.8
94.06557	9.0
95.04954	2.9
95.08568	0.7
97.06507	1.4
98.06024	0.9
99.56845	0.7
104.04974	2.1
105.05799	1.0
105.07011	1.1
108.04456	14.3
110.06055	1.0
110.07110	0.9
111.04339	0.7
112.07585	3.5
118.06497	1.4
121.10113	1.2
122.05998	32.7
123.04390	1.6
124.35248	0.9
130.08612	1.1
137.05843	1.1
138.05460	0.9
140.07036	69.2
141.07361	0.7
146.05978	44.5
147.04454	0.9
148.07550	1.2
150.05453	3.4
152.06976	0.9
154.08578	1.1
162.05492	1.8
168.06526	13.5
172.03903	7.5
173.04677	8.5
174.05476	50.4
175.05867	0.8
176.07045	2.5
190.05072	0.8
191.05714	13.2
192.06517	3.8
193.08766	0.7
199.18065	1.3
204.06502	12.4
206.08086	8.8
211.09744	0.9
212.09671	1.0
225.10191	2.1
237.10225	1.1
239.11723	1.9
240.08942	1.2
241.09700	1.8
252.08844	1.7
253.09700	3.0
254.10585	1.1
267.11237	4.1
277.40228	0.7
281.09106	8.3
283.10443	0.9
285.12314	10.0
287.13672	0.9
295.10815	4.7
297.12350	2.3
298.13300	0.9
299.10199	12.6
300.10883	1.0
313.11749	39.1
314.12555	0.8
315.13644	1.0
323.10138	5.0
324.11151	3.5
331.12820	6.3
341.11249	45.3
342.11780	1.4
345.14334	1.2
356.13617	2.9
359.12198	1.2
373.13913	7.7
411.22467	0.8
438.20352	1.2
440.18173	8.8
464.18085	5.0
478.20160	1.0
482.19138	100.0
483.19431	3.2
496.20883	6.1
500.20044	4.7
514.22260	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	513.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.2
55.01870	7.6
55.05500	23.3
55.84932	2.2
57.03436	7.7
57.07067	10.3
59.05026	2.9
61.02911	3.2
65.03933	5.5
67.05493	94.3
69.03416	29.0
69.07050	21.3
71.01352	10.3
71.04989	8.7
71.08630	3.5
71.53651	2.6
73.02925	10.8
79.05077	1.5
79.05479	67.2
81.03404	30.9
81.07042	92.6
83.04974	25.6
83.08611	8.3
84.08131	27.2
85.02894	25.7
85.06535	2.9
85.10167	3.4
87.04453	3.0
89.06003	6.3
91.05461	33.1
93.07030	75.8
93.07633	4.1
94.07418	3.3
95.04961	21.7
95.08591	67.2
95.09167	4.5
95.83446	2.9
97.02876	66.6
97.06532	9.3
97.10163	5.9
99.04440	9.9
99.08096	5.4
100.00435	2.7
101.02371	5.9
103.03976	6.2
105.07016	31.5
107.04969	11.7
107.08582	48.0
109.02865	37.8
109.06501	5.3
109.10143	44.8
111.04433	36.9
113.02407	4.1
113.07082	3.3
115.03902	6.5
117.06993	12.7
119.08575	22.0
121.10127	41.4
123.04385	14.6
123.08105	3.3
123.11681	21.1
125.02355	11.9
125.05964	4.3
127.03906	46.5
129.06966	3.2
131.08534	26.9
133.08665	3.6
133.10097	23.3
135.04443	9.2
135.07982	2.9
135.11679	31.3
137.02278	2.6
137.13263	7.3
139.03882	26.1
141.05473	4.4
143.08554	4.6
145.10127	23.0
147.08115	3.1
147.11659	18.6
147.69847	2.3
149.09636	3.8
149.13260	20.9
151.03815	4.8
153.05482	9.4
157.10251	2.7
159.07957	3.4
159.11653	17.0
161.13203	12.1
163.03903	3.8
163.14764	15.5
165.05550	2.7
165.12794	4.7
169.04959	7.9
169.10115	2.9
171.06560	5.0
171.11696	3.3
173.13222	20.5
177.16408	5.9
179.14279	2.5
181.04897	13.0
185.13177	3.5
187.14795	8.4
195.13951	2.6
197.28500	2.5
199.05983	17.8
199.11226	3.0
201.16338	5.4
215.18048	2.8
217.07054	8.6
233.22594	4.6
241.19266	2.9
243.21028	24.1
245.22476	2.8
259.20630	6.8
261.22107	100.0
263.23737	11.4
277.21539	3.8
279.23184	20.0
303.23190	4.1
315.23096	8.0
317.24564	3.1
333.24341	4.4
341.24841	3.1
343.22302	2.4
345.24463	4.8
357.24072	2.6
357.66797	2.8
369.24576	2.9
395.26599	2.6
399.25583	3.8
423.25250	5.2
429.26337	3.4
441.26181	15.6
459.27274	25.6
477.28494	23.3
495.29449	59.0
513.30475	23.5
513.39459	3.5
519.09692	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	513.3047
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
53.03929	3.0
55.01856	2.4
55.05501	10.1
57.03430	3.0
57.07047	1.8
61.02918	11.1
67.05159	2.3
67.05492	22.9
69.03410	11.6
69.07064	9.7
69.38746	3.7
69.39169	10.1
71.01319	1.4
71.05002	3.2
73.02893	5.2
75.04454	1.5
79.05067	1.8
79.05482	26.6
81.03399	4.3
81.07044	30.0
83.04965	11.4
83.08628	3.4
85.02892	13.4
85.06522	3.1
87.04427	1.6
87.95782	1.3
89.77563	1.4
91.03943	4.2
91.05457	25.3
93.07026	50.3
95.04948	6.4
95.08598	20.4
97.02896	8.0
97.06496	4.3
97.10149	2.0
99.04418	1.6
99.08044	3.1
103.05418	1.6
104.27039	1.4
105.07018	32.6
107.04917	2.1
107.08580	30.3
109.06498	3.5
109.10124	6.2
111.04419	8.1
111.08041	1.5
113.09634	1.7
115.05433	1.5
116.06233	1.6
117.06971	8.9
119.08556	36.5
121.06530	2.6
121.10124	24.6
123.08031	1.8
123.11639	1.9
123.28796	1.5
127.03917	2.9
128.35764	1.5
129.05496	3.5
129.06973	6.4
131.08546	11.9
133.10107	25.1
135.08047	1.9
135.11671	19.3
137.09529	1.5
143.08517	5.9
145.10088	14.4
147.08028	5.1
147.11671	21.9
149.09590	5.1
149.13223	12.4
151.11174	1.6
155.08487	3.1
157.10065	6.5
159.11644	10.8
161.09587	2.4
161.13223	19.1
163.11133	3.1
163.14786	5.3
165.09119	3.2
168.19379	1.5
169.10124	1.5
171.11658	8.1
173.13245	6.4
175.11134	2.8
175.14787	10.6
177.12730	2.9
183.11600	2.7
185.13278	7.2
187.14787	2.6
189.12753	2.2
199.11116	1.6
199.14740	5.3
207.13814	1.5
213.16296	3.1
217.19450	2.7
231.21051	3.0
241.19453	20.4
259.20520	43.9
275.20090	2.0
277.14301	2.2
277.21634	8.0
283.20499	2.3
295.15344	7.1
301.21524	2.5
333.24191	7.5
339.62085	1.4
346.46539	1.4
349.23828	3.1
351.25211	100.0
352.25632	2.1
363.25156	2.4
364.71265	1.4
367.22491	2.3
375.25217	2.9
385.23657	2.0
417.26266	2.6
441.26138	4.2
459.27744	2.9
477.28241	4.3
495.29504	8.5
513.30237	2.1
537.64484	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	513.305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.4
55.05493	22.3
55.05710	3.7
56.05004	3.8
57.03413	8.8
57.07041	3.8
61.02898	13.0
62.86541	3.5
66.08832	3.9
67.05490	44.9
69.03408	18.3
69.07047	14.3
69.47966	17.4
69.48377	10.5
71.04963	6.0
73.02885	9.9
78.57423	3.0
79.05479	61.4
81.03400	11.4
81.06649	4.5
81.07046	47.7
83.04981	17.1
83.08596	11.8
84.04500	4.5
84.08112	7.8
84.55318	3.2
85.02883	25.4
91.03919	8.6
91.05466	64.0
93.07024	80.9
95.04941	10.4
95.08580	30.6
97.02860	15.5
97.06493	5.7
99.04433	9.0
99.08086	5.3
105.07018	68.9
107.08571	38.0
109.06458	3.8
109.10123	13.6
111.04408	10.6
117.06993	18.4
119.04962	3.9
119.08555	67.1
121.06475	4.9
121.10121	39.4
123.11677	5.1
125.09707	3.5
127.03838	5.1
128.06142	6.4
129.05489	6.3
129.06978	15.1
130.08589	8.6
131.08521	34.7
133.10106	40.9
135.08051	5.3
135.11674	28.7
139.88156	3.1
143.08525	16.6
145.06398	4.3
145.10115	36.0
147.07983	7.6
147.11662	39.1
149.09592	10.8
149.13214	12.6
155.08495	5.6
157.10136	21.4
159.11623	19.0
161.13219	27.6
167.08591	4.6
169.10121	8.3
171.11665	21.7
173.11977	3.6
173.13216	20.6
175.14775	15.1
181.10118	4.1
183.11681	7.5
185.13200	10.3
197.13206	6.6
199.14758	12.0
213.16452	5.1
231.21022	7.3
241.19426	25.6
257.19025	6.5
259.20496	74.5
271.20404	6.6
275.20007	7.8
276.20135	4.2
295.15253	14.2
301.21677	8.5
303.79581	3.5
351.25241	100.0
363.25293	5.7
367.22549	15.6
375.25323	4.8
385.23514	15.6
403.24734	21.4
421.25888	25.9
429.26392	4.4
441.26328	9.0
495.29645	6.3
513.29181	4.7
516.88159	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	513.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	6.3
55.01851	4.2
55.05513	21.0
60.27292	4.3
67.05480	11.8
69.03414	37.7
69.07053	6.6
69.19646	7.1
69.20046	36.7
70.06562	5.1
71.04958	7.5
73.02901	4.4
75.04408	3.0
75.84184	3.9
79.05475	21.0
81.03435	3.9
81.07039	18.6
83.04970	92.9
84.08134	4.2
85.02891	22.9
91.05474	39.2
93.06479	6.6
93.07027	100.0
95.04951	17.1
95.05510	4.0
95.08585	17.2
97.02859	5.5
99.04433	7.2
105.07027	23.8
106.97890	4.6
107.08586	21.1
109.06462	7.0
109.10168	4.5
111.04421	55.8
111.08065	6.1
117.06972	11.6
117.43417	3.7
119.08559	66.9
121.06465	6.0
121.10117	66.4
121.86755	3.6
123.08053	4.8
123.11706	3.7
129.05466	18.5
129.06972	5.6
131.08530	16.5
133.10103	9.5
135.07983	7.4
137.06013	4.1
137.09584	4.4
139.11104	4.5
140.53647	3.7
143.08514	10.6
145.10121	7.2
147.08005	28.1
147.11630	5.4
149.09615	28.0
149.36502	3.7
150.21523	3.9
155.08562	5.1
157.10136	5.4
159.08025	5.8
161.09563	10.5
163.11002	4.0
165.09103	19.1
167.10617	8.4
171.08026	5.0
171.11649	4.7
173.13222	4.8
185.09529	4.8
199.11145	5.3
215.14282	3.7
217.12263	4.0
231.13791	4.8
259.13080	7.2
275.12405	4.4
277.14291	16.6
293.13956	4.4
295.15298	62.7
346.88861	3.6
376.95459	4.0
459.23727	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3049
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
53.03940	2.6
55.01866	2.5
55.05494	7.6
55.92772	1.1
57.03426	6.0
57.07058	1.4
61.02920	14.0
65.03925	1.7
65.14240	1.2
67.05492	27.4
69.03426	5.9
69.07061	9.1
70.06558	1.2
70.43477	2.2
70.43880	2.7
71.04976	2.6
73.02896	4.6
79.05479	34.4
81.03407	3.0
81.07040	29.2
83.04967	3.3
83.08598	4.1
84.08113	1.5
85.02882	10.6
85.06510	2.5
87.04405	1.2
91.03946	5.2
91.05463	28.0
93.07025	43.1
95.04939	6.1
95.08586	21.3
97.02854	7.5
97.06531	2.0
97.10130	2.6
99.04449	1.7
99.08059	3.4
101.02397	1.3
103.03903	1.6
103.05464	1.2
105.07008	31.4
107.04905	1.0
107.08572	25.6
107.09297	1.6
109.06513	3.1
109.10136	10.8
111.04376	1.4
111.08073	1.3
115.58464	1.0
117.06973	6.8
119.08562	28.2
121.10117	22.7
123.08054	1.6
123.11680	2.1
125.06084	1.0
127.03886	2.9
128.06219	1.7
129.06975	7.2
130.08629	1.9
131.08539	14.3
133.06500	1.2
133.10101	26.4
135.08058	2.1
135.11678	21.5
137.13214	1.0
139.11115	1.2
142.07715	1.6
143.08531	6.3
145.10086	12.5
147.08026	2.2
147.11642	23.5
149.09561	2.4
149.13239	15.0
151.11220	1.5
155.08539	1.6
157.10083	5.9
159.11658	10.9
161.09642	3.0
161.13223	19.0
163.11160	1.5
163.14818	5.4
169.10097	2.2
171.11638	8.6
172.50957	1.0
172.93529	1.1
173.13216	6.7
175.11272	2.6
175.14803	10.9
177.12723	1.9
183.11705	2.4
185.13217	8.0
187.14861	1.6
189.12758	1.4
189.16301	1.3
199.14787	4.3
213.16312	3.1
217.19379	2.3
231.20984	3.0
241.19472	20.8
259.20526	45.5
267.36523	1.0
275.20004	1.4
277.21542	7.5
295.15286	1.3
301.21628	1.8
333.24155	7.8
349.23703	3.9
351.25232	100.0
352.25400	2.1
363.24979	2.1
367.22299	2.5
375.25311	2.2
385.23508	2.0
403.24722	1.6
417.26309	1.5
421.25760	1.4
429.26151	2.5
441.26251	4.8
459.27365	3.4
477.28409	3.5
495.29590	5.4
513.29846	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	16.1
57.03435	7.4
58.40174	3.2
61.02903	5.5
67.05487	17.8
69.03419	26.5
69.07038	4.8
69.16957	4.1
69.48540	32.1
71.04980	6.6
79.05479	28.0
81.03393	9.5
81.07050	24.5
83.04967	82.2
83.08607	6.3
84.08135	4.4
85.02889	22.6
86.09686	4.8
87.04456	3.8
91.05470	39.7
93.07029	100.0
95.04943	16.3
95.08570	20.7
97.02845	5.6
97.06498	5.1
98.21461	7.8
99.04439	13.5
105.07007	24.4
107.04928	7.1
107.08573	22.5
109.06502	6.4
109.10139	9.0
109.20911	4.2
111.04426	44.6
111.08070	4.4
113.05982	4.6
117.06976	13.3
119.08556	55.8
121.06474	10.8
121.10113	58.3
123.08057	5.1
127.03912	5.1
128.06203	5.2
129.05467	18.2
129.06955	6.1
131.08549	17.6
133.10097	19.2
135.08078	6.0
137.09587	6.0
143.08499	10.4
145.10051	4.6
146.05946	3.9
147.07996	23.7
147.11700	11.4
149.09590	29.9
149.13239	4.6
155.08566	5.1
157.10100	6.8
161.09547	8.6
161.13229	6.5
165.09106	16.1
167.10661	11.0
185.13275	5.6
203.10809	4.2
213.12772	5.2
231.13776	6.4
259.13229	5.2
259.20590	8.0
275.20084	5.4
277.14307	17.6
295.15344	52.5
351.25180	20.3
459.23608	23.7
495.28326	5.1
513.34009	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	512.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55678	0.9
55.05504	2.1
57.03432	1.2
57.07064	94.3
59.04708	2.0
59.04989	33.3
69.07054	3.9
69.82185	5.1
70.06583	2.6
71.08617	100.0
83.08605	2.7
85.10165	91.8
87.04438	3.6
88.07619	1.7
89.06013	46.7
93.69007	1.0
94.74551	0.8
95.08575	1.2
97.10162	1.1
99.11719	12.5
101.09639	3.5
102.09166	2.6
103.07552	3.4
103.39783	1.0
111.11678	1.1
114.34098	0.9
117.09109	6.5
131.06981	1.3
133.08578	44.2
141.16348	15.8
143.94298	1.1
150.80309	0.9
151.09622	1.3
175.09612	1.9
177.11174	10.4
181.19418	1.7
191.12680	2.0
195.12219	1.2
199.20537	33.0
221.13792	5.7
228.23077	1.4
239.14851	22.4
240.23192	1.7
256.26257	8.6
257.24701	16.1
279.18042	5.4
283.26233	9.8
297.18954	10.6
327.20016	4.9
337.22208	3.5
355.23331	2.0
460.25571	1.0
495.38892	7.9
512.41498	3.7
512.50226	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	512.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.2
57.07065	100.0
59.04992	11.9
60.87834	0.7
63.65641	0.8
64.17874	0.9
68.83834	0.7
69.07042	1.1
69.55970	6.0
70.06556	1.2
71.08618	73.2
73.06538	1.4
85.10167	55.9
85.51233	0.8
87.04447	3.1
88.07613	1.9
89.06013	70.7
97.10148	2.0
98.20766	0.9
99.11716	10.3
101.83154	0.8
102.09157	1.6
103.07536	4.8
107.07060	2.2
108.76202	0.8
113.13278	3.1
117.09122	1.9
130.08658	1.3
131.07019	2.5
133.08575	47.1
155.17915	9.0
175.09613	1.9
177.11186	33.6
213.22083	11.0
219.12445	1.2
220.35822	0.8
221.13820	3.3
228.23206	1.3
237.17001	0.9
239.14845	2.7
256.26245	6.0
257.24631	6.9
265.16406	3.2
272.80194	0.8
274.27280	0.9
283.17468	36.4
283.26163	5.8
323.20581	5.0
325.67892	0.9
327.20013	1.7
341.21609	4.1
495.38870	14.0
512.41528	4.2
512.50195	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	1.1
55.05488	4.5
57.07067	100.0
59.04716	1.3
59.04993	23.0
67.05480	2.0
69.07053	7.1
70.06570	5.2
70.44600	5.2
71.08620	96.5
73.06532	3.2
81.07053	2.7
83.08597	4.9
84.08103	2.6
84.13174	1.2
85.10170	90.3
87.04453	13.3
88.07613	9.0
89.06017	48.5
95.08585	3.0
97.10160	3.0
99.11712	10.6
102.09164	5.6
103.03928	68.6
103.07581	7.9
107.07024	2.8
107.08576	1.3
111.11720	2.4
113.13291	1.8
117.09093	1.7
119.79901	1.3
121.08525	2.0
125.91682	1.2
130.08603	2.3
131.07034	5.5
133.08583	32.4
133.26123	1.1
141.16368	10.4
147.06499	12.0
147.10112	2.2
149.48918	1.3
152.54007	1.2
159.40149	1.2
163.09648	4.1
175.09648	3.5
177.11180	15.2
185.18961	1.3
191.09146	13.1
199.20557	13.2
207.12154	2.0
221.13838	2.4
228.23093	1.8
235.11771	7.0
239.14845	1.4
243.23152	6.3
251.14827	2.7
256.26337	18.4
257.24454	1.3
269.15967	7.5
274.27325	1.9
279.14349	10.3
283.17450	2.9
283.26294	21.7
297.15390	29.3
309.18997	1.7
327.20044	8.9
337.18442	1.6
341.18314	1.5
355.19653	2.0
397.64359	1.2
477.34424	1.7
495.38614	7.9
504.33075	1.5
512.37958	4.1
512.50262	53.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77497	0.8
69.07056	2.1
70.06566	2.0
70.70029	2.6
72.08131	1.1
76.10413	1.0
79.05468	1.4
84.08100	0.9
91.05490	1.6
94.06551	12.6
106.04142	1.0
106.06488	1.1
108.08098	1.4
110.06012	4.7
112.07580	1.0
120.04485	5.1
120.08097	1.7
121.06498	1.9
121.23842	0.9
122.05997	16.8
124.07541	1.2
134.05986	2.7
138.05493	3.8
140.07034	28.8
146.05980	14.7
148.06367	1.7
148.07544	29.8
149.05948	1.9
152.07047	9.0
154.08551	1.7
160.07553	1.1
161.05923	1.7
164.07024	1.9
172.03909	1.7
174.05461	2.7
180.06561	1.8
182.08174	3.3
183.09120	1.2
190.04948	3.4
192.06516	2.4
194.09677	1.6
196.09814	1.7
197.10707	3.9
198.09280	1.0
198.11386	2.1
207.10060	2.1
209.08049	2.2
209.10689	2.0
211.08582	3.6
211.12282	7.7
213.13750	1.6
216.10216	2.1
220.09915	1.0
221.10681	1.7
223.12201	1.5
224.09370	2.5
225.10220	15.5
226.10954	19.3
227.11678	2.6
234.07571	3.2
235.08676	1.4
235.12320	2.1
235.14372	2.4
236.09360	1.9
237.10172	10.5
238.11035	3.6
239.11746	48.9
240.12494	4.9
241.13332	1.4
243.11272	1.0
244.09642	1.0
249.10156	1.8
250.10861	1.8
251.11786	7.1
252.08975	2.1
252.12520	2.6
253.09570	1.9
253.13255	5.0
254.10477	3.6
255.11339	2.7
261.12280	8.8
263.11749	3.5
264.09998	0.9
265.09686	9.9
266.10400	2.1
267.11249	32.8
268.11618	1.3
269.12811	1.6
279.10971	8.2
279.13528	2.5
280.12082	2.1
281.12732	10.5
282.10876	1.2
283.10638	1.6
285.12122	1.2
287.13837	62.2
288.14084	1.1
291.11295	1.9
293.09113	5.9
295.10739	5.2
297.12411	1.7
298.13043	7.1
299.13812	30.3
300.14456	1.8
301.05856	1.0
305.14832	1.4
307.10635	3.3
309.12286	12.3
311.13791	1.7
313.11884	6.2
325.11707	10.6
327.13327	100.0
328.13617	2.8
329.14835	1.8
335.10239	7.9
339.09564	1.9
353.11243	32.5
354.11795	1.2
371.12250	3.2
422.20541	1.2
426.19739	1.2
440.21722	2.9
450.20197	7.7
466.19479	1.0
468.21222	63.7
469.21680	1.2
480.17535	1.2
494.19089	23.1
497.14856	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.8
55.01873	1.3
57.03415	0.8
60.68275	0.8
65.03923	1.1
66.57507	0.7
69.38132	7.1
78.04662	1.0
79.05493	4.0
81.07022	1.6
84.60101	0.7
85.02882	1.0
86.15790	0.7
89.03889	1.3
91.05470	9.5
93.03391	2.9
93.07027	3.8
95.04966	4.3
95.08576	0.8
103.05444	13.3
105.07021	6.3
106.04172	7.3
107.04935	22.2
115.05437	2.6
117.03370	1.0
117.06990	1.4
118.04162	0.9
119.04917	3.1
119.08557	1.1
121.06487	11.5
122.05990	1.3
123.04378	1.7
124.05204	1.0
125.05978	2.0
125.09585	1.7
128.06152	1.3
129.06999	5.7
131.04897	9.2
131.08536	1.8
132.05714	3.7
133.06450	3.5
134.03568	1.5
135.04375	1.3
135.08034	5.6
137.05942	6.7
139.07518	1.0
140.07051	1.5
144.05714	1.0
145.02805	1.7
145.06474	1.1
145.20386	0.8
146.05988	1.4
146.07220	3.0
147.04327	1.3
147.08031	1.0
148.05154	5.0
148.07552	1.3
149.05957	14.3
150.05482	1.6
151.03839	0.9
151.07510	4.9
152.04631	1.0
153.05408	1.5
153.08983	1.6
157.06456	2.5
159.04347	1.2
160.05161	1.8
161.05948	84.7
161.09590	20.5
163.03870	0.9
163.07507	25.7
165.05443	2.6
165.09145	0.7
167.07008	34.1
174.06732	4.7
175.07507	8.3
176.04630	0.8
177.05426	14.5
177.08994	1.7
179.07004	3.0
180.07782	8.3
181.08559	21.6
189.09071	53.2
191.06993	18.7
192.07802	9.0
193.08549	2.0
197.09319	0.8
207.10124	100.0
209.08049	26.1
210.08716	0.9
211.16917	1.6
219.08221	0.8
219.10066	4.0
223.04213	6.5
225.08963	1.5
239.11705	3.4
253.08623	1.2
257.11569	1.9
265.09491	1.3
267.11047	1.4
279.10284	1.7
283.09674	1.3
283.13342	0.9
285.10956	3.5
287.13852	2.8
293.09021	1.4
298.13235	0.9
299.13629	1.6
305.13672	0.9
311.09839	1.0
311.12961	1.0
315.12036	2.1
317.13873	5.8
327.13260	6.0
329.13806	2.1
331.15405	1.7
339.09695	1.4
341.13669	4.5
343.15366	9.6
353.11261	1.9
355.15231	1.7
361.16412	32.4
371.12274	2.3
373.16501	6.9
468.21152	3.3
494.18219	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.4357
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98747	0.8
55.05500	2.7
55.49319	0.7
56.96432	0.6
57.03423	2.8
57.07064	100.0
59.04990	46.0
60.54191	0.7
69.07057	2.6
69.41093	2.8
69.41515	3.7
70.70124	0.7
71.08619	74.1
74.02135	0.7
80.27737	0.7
81.07047	0.9
83.08614	2.2
85.10166	65.2
87.04461	1.6
89.06017	12.0
95.08591	1.2
97.10172	3.6
99.11711	11.1
101.09650	5.1
103.07584	1.4
106.13449	0.8
107.07007	1.7
113.13258	5.0
117.09115	18.1
118.09456	0.7
141.16254	1.3
145.08594	1.3
147.10126	6.1
155.17909	10.1
158.11856	1.2
165.11227	0.9
175.13367	1.2
205.14322	4.5
213.22084	24.2
223.15392	3.0
254.24762	2.2
263.18625	2.2
271.26260	30.6
272.26810	1.3
281.19592	1.4
329.30518	2.3
493.40836	6.4
497.15594	0.8
534.12219	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.1
55.01860	1.6
55.05489	1.1
57.48800	1.2
60.28841	1.0
65.03916	1.6
67.05482	1.1
69.07051	4.2
69.64798	3.2
69.65220	4.1
69.79009	0.9
70.06561	4.8
71.04984	1.9
72.49829	1.3
78.04684	1.5
79.05469	4.4
81.03407	1.2
81.07025	2.1
83.06075	1.6
84.08131	2.5
85.02875	3.1
86.09696	2.0
89.03889	1.3
91.05456	13.5
93.03387	2.6
93.07043	4.2
94.06546	7.9
95.04945	4.1
97.02863	1.6
97.06546	1.0
99.04371	1.3
102.41085	1.0
103.05441	12.5
105.07027	5.9
106.04195	5.4
107.04205	1.2
107.04935	24.0
107.08558	2.2
109.06478	1.8
109.10203	1.9
110.06001	2.0
110.07129	6.5
114.18326	1.1
115.05409	2.7
118.04126	2.1
119.04920	4.1
119.08549	1.2
120.04437	3.3
120.08057	2.6
121.06474	11.6
122.05998	9.8
123.04402	2.8
123.08057	2.0
125.05956	1.8
126.09174	2.2
127.03833	1.3
127.80785	1.2
129.06970	4.8
129.10223	1.5
129.12737	1.4
131.04898	7.8
131.08519	1.6
132.05684	5.0
133.06442	3.4
133.10080	1.2
134.03572	2.5
134.06007	1.4
135.04355	1.4
135.08006	4.6
136.07559	1.6
137.05019	1.1
137.05939	7.2
137.09612	1.8
138.05449	1.5
140.07031	16.0
145.02805	8.2
145.06401	1.6
146.05969	11.9
146.07222	3.3
147.04309	1.3
147.08162	1.3
148.05081	5.1
148.07544	17.0
149.05954	14.4
151.03773	1.1
151.07541	5.5
152.07024	4.3
153.05424	1.6
153.09070	3.1
154.08545	1.2
156.07660	2.7
157.06422	3.1
159.04353	2.1
160.05161	1.3
161.05956	87.8
161.09599	20.6
163.03906	1.2
163.07521	24.6
164.07162	1.2
165.05490	2.9
165.09068	1.7
167.07011	34.6
174.06720	2.8
175.07494	7.2
176.04736	1.5
177.05457	25.2
177.08971	1.5
179.06964	5.8
180.07800	5.9
181.08560	20.0
182.07991	1.1
187.07599	1.4
189.09081	58.1
190.04955	1.9
191.07008	18.4
192.07822	8.2
193.08589	2.7
193.15851	4.5
197.10722	2.2
207.10130	100.0
209.06046	1.5
209.08052	27.0
209.10359	1.3
209.10880	1.4
211.08766	1.7
211.12239	4.9
211.16891	4.4
219.10094	3.3
223.04193	2.4
225.10358	7.8
226.10902	9.8
234.07436	1.7
235.12270	2.5
237.10172	5.7
238.10858	2.0
239.11736	28.6
240.12331	2.0
251.11717	3.9
253.08751	1.2
253.13194	1.8
254.10406	1.4
257.11749	2.2
261.12280	4.1
263.11813	2.7
265.09613	3.7
267.11258	15.9
271.12976	1.3
279.11111	3.8
280.11981	1.5
281.12744	6.4
285.11331	3.9
287.13840	34.2
293.09070	3.5
295.10672	2.4
298.12897	4.2
299.13824	16.8
307.10596	1.5
309.12360	8.9
311.13214	1.8
313.11749	1.6
315.12308	1.9
317.13663	5.4
325.11765	5.0
327.13327	59.8
328.13721	1.7
329.14029	1.6
331.15427	2.0
335.10397	5.1
341.13803	5.0
343.15280	9.7
353.11230	15.9
361.16370	27.3
371.12296	1.3
373.16479	6.6
440.21457	1.0
450.20020	5.5
468.21213	38.0
482.19229	2.5
494.19037	12.5
512.19739	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	3.3
57.03435	1.9
57.07067	100.0
59.04990	37.7
71.08624	73.2
81.07067	1.7
83.08575	2.1
84.86094	1.4
85.09648	3.4
85.10169	69.5
87.04459	8.2
89.06025	3.8
94.20361	1.6
95.08569	2.4
97.10136	3.6
98.21531	3.7
99.11712	13.2
101.09648	3.8
103.03927	21.8
105.51977	1.6
107.07028	2.6
108.51895	1.6
113.13245	3.0
117.09112	13.5
119.07027	1.9
130.08531	1.7
133.08511	2.1
133.10199	1.7
134.27959	1.6
136.82619	1.4
147.06458	7.6
155.17915	11.3
165.07440	2.2
181.53342	1.6
205.10716	4.7
213.22070	22.1
223.11693	5.0
254.24692	2.9
263.14871	2.7
271.26318	21.0
281.15842	2.8
329.30313	1.7
434.02170	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15559	0.9
55.05497	1.9
57.03413	2.3
57.07064	100.0
59.04703	1.9
59.04990	36.5
69.07055	2.2
71.08617	86.4
73.02904	33.7
75.55945	1.0
83.08606	2.3
85.10167	71.1
86.10500	1.3
87.04457	2.5
87.08113	1.3
89.06000	6.3
95.08585	1.4
97.10142	3.0
98.20728	2.2
99.11718	11.6
101.09637	4.7
103.07561	2.5
109.10123	1.3
111.11687	0.8
113.13261	5.3
117.05444	1.2
117.09106	10.1
121.10051	1.0
125.09509	1.0
127.14835	1.4
133.08554	2.6
141.16360	2.0
147.10046	1.0
155.17924	13.4
177.11235	1.8
185.18997	3.0
195.12219	6.4
205.10681	7.6
206.00313	1.0
213.22090	21.8
223.11717	2.2
243.23216	9.1
253.16418	3.5
254.24799	1.4
257.24786	1.0
271.26291	11.5
281.15839	2.5
301.27261	1.5
510.39801	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	510.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55565	0.5
55.05503	4.3
57.03422	3.5
57.07063	38.1
58.44401	0.5
59.04965	0.7
60.08150	6.4
60.67382	0.6
61.02920	3.1
67.05489	8.5
69.03400	1.1
69.07053	8.0
69.47640	2.3
69.48077	2.2
71.07350	1.8
71.08617	31.6
73.02903	0.7
75.04460	2.6
79.05464	0.8
81.07043	14.0
83.08604	10.5
85.02870	3.3
85.06516	0.9
85.10164	18.8
86.09686	16.9
89.05992	1.7
91.03945	1.4
92.22980	0.6
93.07016	0.7
95.08586	21.6
97.02864	1.7
97.10152	4.4
98.20839	0.9
98.21468	1.1
98.98406	1.5
99.11711	1.0
100.11215	2.1
103.07516	0.8
104.10722	34.8
107.08545	0.6
109.10130	10.7
111.11694	1.8
123.11679	4.6
124.99976	10.1
125.13245	1.3
127.03955	0.7
137.13226	2.3
157.18999	0.7
159.88174	0.6
165.16338	0.8
174.71307	0.5
184.07306	35.7
196.24840	0.7
199.16827	0.6
204.19029	0.6
213.18439	0.8
221.22588	1.1
239.23650	25.4
239.26086	1.2
257.24762	4.7
298.27112	0.8
313.27295	100.0
314.27518	1.2
331.28339	20.6
475.32419	2.0
492.34219	3.5
504.16965	0.6
510.28253	1.1
510.35391	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	510.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.9
55.05504	8.7
57.03420	3.9
57.07069	86.1
59.04980	1.5
61.02905	2.6
62.06073	1.4
67.05492	23.6
69.03417	11.0
69.07063	13.7
70.12276	1.9
70.12679	3.9
71.04976	2.4
71.08621	66.1
79.05461	1.5
81.03410	7.9
81.06587	2.0
81.07040	31.6
83.08611	25.8
85.02891	23.7
85.06507	1.1
85.10167	38.5
86.09692	1.8
89.06010	1.8
91.03910	1.1
93.07000	1.2
95.08591	52.3
97.02879	14.5
97.10162	11.4
99.04449	5.9
99.11686	2.7
104.10723	5.2
108.04430	2.2
109.02850	6.8
109.10138	29.5
111.11669	3.6
111.12383	1.2
113.13232	1.5
115.03868	1.6
123.11692	10.3
124.99989	1.7
127.03902	22.3
133.08524	1.1
137.13234	4.2
145.04932	16.6
151.14758	1.5
171.17618	1.2
184.07317	4.4
213.18599	1.5
221.22667	3.0
239.23660	64.2
257.24771	6.2
264.63687	1.1
313.27286	52.0
329.26785	3.7
331.28403	11.6
341.26755	2.5
383.27863	36.9
401.28928	100.0
510.35165	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	510.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.3
55.05525	0.3
57.03423	1.1
60.04501	1.5
65.49246	0.3
67.05482	0.8
69.03414	0.9
69.07061	0.5
69.49303	2.8
70.06588	2.0
71.04971	0.5
72.08134	0.5
73.02883	1.4
73.59754	0.3
77.69887	0.4
79.05474	1.1
81.03407	0.6
81.07049	1.8
82.09197	0.3
83.04953	0.4
84.04484	0.4
84.08112	1.2
85.02878	1.5
85.06541	0.5
86.09679	1.3
88.02215	0.4
88.03943	0.6
91.05462	1.3
93.07024	1.2
95.04987	0.8
95.08584	1.1
97.02881	0.8
97.10174	0.4
98.20760	0.7
99.04438	0.6
105.01860	0.4
105.07011	0.9
107.04906	0.4
107.08560	0.9
109.06536	0.9
109.10137	0.7
115.05440	1.0
117.06982	0.8
119.08553	0.9
120.08080	0.5
121.06492	0.5
121.10145	1.7
123.08024	0.4
125.05961	0.5
127.03880	1.0
128.06230	0.5
129.06984	3.8
129.10307	0.4
130.08649	0.7
131.04910	1.0
131.08554	5.7
133.10095	0.6
135.11687	0.4
136.06216	0.4
136.07504	0.9
137.05943	1.5
137.09587	0.7
138.05496	1.7
138.06451	0.3
138.41133	0.4
139.11148	0.4
141.01784	0.5
141.06958	3.6
143.04846	0.4
143.08521	0.9
144.05661	0.7
145.06390	0.7
147.04381	0.7
147.11693	0.4
149.04445	0.4
151.07523	0.8
151.11111	0.6
157.06473	4.1
158.07205	2.0
159.08049	5.4
160.05203	0.6
161.05978	0.6
161.09573	1.3
163.07518	0.4
164.07033	1.0
165.09096	0.6
167.06987	0.7
169.06442	2.5
170.07224	0.7
171.08066	0.8
173.13191	0.4
174.06732	9.9
175.07550	3.1
177.08969	0.4
178.05013	0.4
179.07001	0.4
179.10648	0.8
181.12234	0.9
186.06696	2.2
187.07434	0.6
188.08263	0.8
189.09085	22.1
191.06993	0.6
191.10596	2.2
191.14375	0.4
201.09074	7.4
203.10655	3.1
207.10078	1.0
209.08060	1.0
219.10123	100.0
220.10440	0.9
221.11696	1.8
225.11147	0.5
227.16351	1.2
237.11192	3.1
251.11711	0.5
263.11752	0.8
265.09702	0.5
265.13287	0.6
296.98895	0.3
299.14807	1.4
309.12238	1.9
310.12946	0.5
337.11783	2.0
338.12427	0.4
348.27283	0.5
351.13483	0.4
369.14447	2.7
370.15060	0.7
478.19656	0.6
492.17093	0.4
510.22083	1.3
510.32785	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43164	1.0
55.05482	0.9
67.05480	1.8
67.08257	0.9
68.04977	0.8
69.03414	1.6
69.07031	2.9
69.31716	7.5
70.06566	2.2
72.08115	1.2
79.05472	2.1
81.03372	1.7
81.07024	3.3
82.66595	0.8
83.04967	0.8
84.04482	1.1
84.08104	1.5
85.02878	2.4
85.06522	0.9
86.09681	1.6
89.06019	0.8
91.05456	2.3
93.07008	2.8
94.06537	4.0
94.07341	1.1
95.04947	1.7
95.08558	2.3
100.71455	0.8
105.07008	1.7
107.08527	2.4
108.08099	1.0
108.31756	0.7
109.10134	1.3
109.69663	0.7
110.06004	1.4
110.07180	0.9
111.04414	1.0
116.04983	1.0
116.33262	0.8
118.06488	1.1
119.08557	1.5
120.04443	2.1
121.05238	0.8
121.10107	2.3
122.05982	2.1
123.11644	1.3
124.07561	24.9
126.09163	1.1
127.03867	1.6
130.08571	1.0
131.04866	0.8
131.08524	0.8
133.10049	1.9
135.11737	1.1
136.03801	0.8
136.07532	2.3
137.05931	3.4
138.05467	2.3
140.07010	1.2
144.04419	1.6
145.10120	1.1
146.05992	4.9
146.09567	1.0
147.06775	1.3
147.11658	1.2
148.07535	1.0
149.09520	1.1
150.05449	1.1
152.07104	1.3
155.14307	0.9
161.09604	0.8
164.06975	1.1
165.09076	1.1
172.03856	7.0
174.05487	6.0
181.10365	0.9
190.04939	4.6
191.05650	2.2
192.06586	2.1
204.06491	9.0
206.08174	4.1
207.09088	0.8
208.09761	1.0
209.08107	0.9
209.10664	2.3
210.11484	1.3
211.08618	1.2
212.09392	3.2
213.10210	0.8
222.07849	1.5
222.11478	1.5
223.12263	4.3
224.09399	1.5
225.10168	9.7
226.10966	1.7
233.10829	0.8
234.09048	1.6
234.11420	0.8
235.08572	4.3
235.12260	1.7
236.09254	6.5
237.10170	22.7
237.13794	1.0
238.10954	2.4
239.11742	3.1
241.09769	1.3
241.12999	0.8
245.12935	1.7
248.09406	2.2
249.10161	8.2
250.10910	5.9
251.07977	1.7
251.11745	32.4
252.08969	4.0
252.12445	3.5
253.09677	8.0
253.13219	1.5
254.10493	1.1
255.11220	2.8
262.11133	1.1
263.11685	8.9
263.14032	0.9
264.08792	2.4
264.12427	1.8
265.09647	28.6
265.13275	6.7
266.10385	5.0
266.13425	0.9
267.11224	18.1
268.11938	1.0
269.12747	4.3
277.09680	1.7
277.18018	1.8
278.06552	2.8
278.10327	2.2
279.11224	54.5
280.08743	1.3
280.11926	4.8
281.12747	4.3
282.10052	1.0
283.10751	4.5
284.11218	1.1
285.12238	2.7
291.11319	3.2
292.12042	1.3
293.09198	22.8
293.12430	1.8
294.09891	5.4
295.10718	19.7
297.12280	19.1
307.10712	9.5
309.12262	26.6
310.13113	5.8
311.10178	3.7
311.13809	7.3
312.11011	3.4
313.11731	14.5
315.13229	6.2
319.10742	1.2
324.10989	1.8
325.11722	35.2
326.12375	1.8
327.13260	1.1
329.14944	4.9
335.10190	18.6
335.14151	1.0
335.86734	0.8
337.07864	1.5
337.11719	21.5
337.15775	1.1
338.12488	6.9
351.21548	1.4
353.11243	100.0
354.11761	3.1
355.12839	2.4
367.13095	1.1
369.14355	35.5
370.15094	20.2
371.11945	1.5
385.13867	12.7
387.15179	1.6
392.17633	0.8
434.20486	1.7
436.18869	2.6
450.20108	5.5
460.18753	1.6
478.19641	80.6
479.19934	1.4
496.20645	1.4
510.22266	18.7
511.12158	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81785	0.5
67.05462	0.4
68.04987	0.7
69.03380	0.5
69.07014	0.9
69.51489	0.4
70.06555	1.0
70.51838	0.5
70.52187	1.4
79.05444	0.5
81.05769	0.5
81.06992	0.9
85.02842	1.2
91.05441	0.9
93.06969	0.7
94.06555	3.2
95.08560	1.2
97.02840	0.8
103.49371	0.5
105.06961	0.8
107.08535	0.8
110.05992	0.8
111.08018	0.7
116.04847	0.6
119.08517	0.7
120.04397	2.1
121.05177	0.6
122.05988	2.2
124.07567	21.7
126.09130	0.6
133.10162	0.5
136.07553	0.8
138.05460	1.4
144.04352	1.6
145.04826	0.5
146.05977	5.3
147.06709	1.1
149.05902	0.6
162.05421	1.4
166.04915	0.5
172.03906	6.6
173.04672	2.2
173.46649	0.5
174.05447	4.4
180.06564	0.6
184.09895	0.6
190.04936	3.4
191.05688	2.3
192.06526	0.7
197.10674	0.7
201.14886	0.6
204.06497	7.7
206.08066	2.9
208.09839	0.8
209.10658	2.3
210.11473	0.6
211.08713	0.6
211.12276	1.1
212.09436	1.7
214.79893	0.5
221.10579	0.7
222.07722	1.1
222.11317	0.6
223.08467	0.9
223.12212	3.2
224.09409	1.3
225.10187	7.9
226.10828	0.6
234.09099	1.3
234.11493	0.6
235.08585	4.3
235.12207	0.8
236.09323	6.5
237.10190	21.1
238.10837	1.5
239.11798	3.1
240.08957	0.7
241.09738	0.6
245.12805	1.7
249.10159	4.4
250.07002	0.6
250.11031	3.3
251.08087	1.1
251.11761	22.4
252.08881	3.8
252.12488	2.5
253.09674	6.7
253.13211	1.3
254.10410	1.2
255.11197	4.4
261.10370	0.7
262.10950	0.8
263.11694	1.8
264.08829	2.2
265.09680	29.0
266.10406	4.7
267.11218	14.4
268.11636	0.6
269.12817	4.1
278.06540	3.4
278.10410	1.1
279.11234	26.2
280.08591	0.6
280.11792	2.6
281.09772	0.5
281.12796	2.6
282.10245	0.8
283.10760	3.1
284.11462	1.2
285.12436	2.2
291.11096	1.2
292.07956	0.6
292.11719	0.5
293.09155	21.4
294.09946	4.8
295.10718	18.3
295.22644	0.6
296.11292	1.0
297.12302	19.3
298.12558	0.6
307.10760	8.7
309.12311	6.1
310.13153	0.7
311.10345	2.3
311.13519	0.5
312.10965	4.1
313.11752	11.5
315.13217	2.9
317.08746	0.5
324.10941	1.3
325.11768	33.5
326.12347	2.0
329.14865	5.3
329.31354	0.5
335.10205	20.8
336.10571	1.0
337.11792	1.8
340.14026	0.6
353.11252	100.0
354.11847	4.4
355.12823	2.6
357.14365	1.1
358.15167	0.5
367.12695	1.0
369.14340	0.8
371.12183	0.9
381.07892	0.5
385.09268	0.9
385.13885	10.3
386.14594	0.6
387.15387	1.3
406.21167	0.6
434.20465	1.9
436.18607	2.0
450.20297	4.0
460.18948	2.4
478.19666	74.7
479.19876	2.1
482.23004	0.7
492.21646	0.9
510.22980	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	510.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41790	0.1
55.01844	0.1
67.05463	0.2
69.07048	1.0
70.04044	0.1
70.06534	0.1
70.14986	0.4
79.05440	0.2
80.18124	0.1
81.07008	0.2
91.05426	0.2
93.05770	0.2
94.06533	0.6
95.04919	0.2
95.08542	0.1
99.08026	0.1
105.06998	0.1
108.08031	0.3
109.06458	0.1
112.49446	0.1
120.04424	0.5
120.08056	0.1
122.06014	1.2
123.04398	0.1
127.20003	0.1
134.05922	0.2
134.45741	0.1
136.07544	2.8
138.05449	0.2
140.07027	2.4
144.08035	0.3
145.08856	0.1
146.05983	0.6
146.09583	1.5
148.07526	0.2
150.09087	0.1
152.06982	0.5
154.04962	0.5
162.05476	0.5
164.07025	3.8
166.08522	0.4
174.05481	0.1
176.06958	0.1
181.08798	0.2
194.09621	0.2
195.10406	0.1
196.11118	0.1
204.06468	0.2
206.08249	0.3
207.09164	0.3
208.09683	0.2
209.10690	0.4
210.07767	0.1
210.11458	0.4
211.08609	0.3
211.12236	0.3
219.09091	0.4
220.09727	0.8
221.10681	1.5
222.09319	0.1
222.11383	2.2
223.08537	0.1
223.12198	1.6
224.10922	0.2
224.13031	0.3
225.10240	0.3
225.13861	0.2
232.09908	0.3
233.10640	0.2
234.07878	0.1
234.11470	0.4
235.06149	0.1
235.08615	2.5
235.12218	2.3
236.09309	1.0
236.12949	0.9
237.10136	7.3
237.13780	2.6
238.10870	1.0
238.14563	0.3
239.11717	1.0
246.09204	0.1
246.11424	0.2
247.08482	0.5
247.12312	0.7
248.09354	5.4
248.13205	0.2
249.10155	8.3
250.10954	5.9
251.11736	9.3
252.12431	0.6
253.09636	0.3
253.13275	0.7
254.10445	0.3
255.11168	0.6
261.10162	0.3
262.10974	1.2
263.11728	21.5
264.08960	0.5
264.12476	4.2
265.09692	8.0
265.13266	29.2
266.10330	0.3
266.13931	1.6
267.11172	1.2
268.12091	0.7
269.12766	0.4
275.11679	0.4
276.09039	0.5
277.09644	4.4
278.10449	1.5
279.11206	18.5
280.12009	0.9
281.12753	1.1
282.13565	1.2
283.11465	0.1
283.14383	0.6
290.10593	0.1
291.11197	7.4
292.11966	1.8
293.09680	0.1
293.12753	4.8
294.09933	0.5
294.13501	1.2
295.10712	7.1
295.14032	0.4
296.11423	0.8
297.12265	5.5
298.12814	0.3
304.08401	0.2
309.12250	47.7
310.13019	17.7
310.16818	0.2
311.10150	0.2
311.13760	3.0
313.11868	0.1
319.10687	8.3
320.11374	0.7
321.12253	0.3
323.10236	0.2
325.11746	0.3
325.15353	0.1
337.11719	100.0
338.12488	28.6
339.13190	2.2
341.14722	0.4
342.15726	0.2
345.14392	0.1
351.13440	0.3
352.14102	0.3
353.11295	0.3
355.12891	0.6
369.14349	29.6
370.15097	8.8
370.20010	0.2
371.15878	1.7
434.20633	0.5
436.18579	0.1
450.20261	1.6
460.18423	0.3
478.19617	19.4
479.19910	0.4
496.20688	1.1
510.22275	7.2
511.22415	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01831	0.1
67.05457	0.3
67.59313	0.1
69.07053	0.8
70.06554	0.2
72.08149	0.1
77.03876	0.1
79.05448	0.2
81.03388	0.1
81.06994	0.1
84.08125	0.1
85.02872	0.1
86.09663	0.1
87.19083	0.1
91.05418	0.1
93.05743	0.1
93.06992	0.2
94.06550	0.5
95.04926	0.2
95.08569	0.1
108.08056	0.3
109.10074	0.2
118.06484	0.1
119.08477	0.1
120.04453	0.5
120.08028	0.2
120.92571	0.1
122.06006	1.0
124.07537	0.1
126.96391	0.1
133.10106	0.1
134.05901	0.1
136.07553	2.0
137.05882	0.2
138.05417	0.2
140.07040	2.3
144.08003	0.2
146.05974	0.5
146.08635	0.1
146.09618	1.5
152.07028	0.1
154.04959	0.5
161.05992	0.2
162.05424	0.4
164.07037	2.9
166.08516	0.3
167.07071	0.1
181.08861	0.1
194.09587	0.2
204.06488	0.1
204.08195	0.1
206.08185	0.2
207.09111	0.3
209.08304	0.1
209.10481	0.2
210.07748	0.1
210.11424	0.3
211.08585	0.4
211.12224	0.2
219.09195	0.2
220.09818	0.9
221.10660	1.4
222.09218	0.1
222.11415	1.9
223.08574	0.1
223.12187	1.3
224.13042	0.3
225.10197	0.2
225.13783	0.2
232.09842	0.3
233.10475	0.2
234.07735	0.2
234.11424	0.4
235.08618	2.6
235.12254	2.4
236.09250	0.7
236.12926	1.0
237.10176	7.7
237.13741	2.6
238.10902	0.8
238.14658	0.2
239.11755	0.8
244.05908	0.1
245.10538	0.1
246.11462	0.3
247.08588	0.6
247.12334	0.8
248.09357	5.2
248.13214	0.2
249.10164	8.3
250.10954	5.5
251.11737	8.8
252.12418	0.7
253.09680	0.2
253.13315	0.9
254.10550	0.2
255.11263	0.6
261.10211	0.4
262.10974	1.1
263.11734	21.2
264.08929	0.6
264.12466	3.7
265.09695	7.4
265.13272	28.2
266.10437	0.3
266.13925	1.6
267.11203	1.0
268.12003	0.5
269.12653	0.2
275.11841	0.4
276.08844	0.4
277.09656	5.0
278.10403	1.4
279.11215	17.2
280.11859	0.8
281.12753	1.0
282.13623	0.9
283.14420	0.6
290.10556	0.2
291.11200	6.8
292.11990	2.0
293.12778	4.7
294.09946	0.5
294.13513	1.3
295.10727	6.3
295.14102	0.5
296.11530	1.0
297.12277	4.9
297.15189	0.1
298.12833	0.2
304.08389	0.3
304.20422	0.1
309.12259	47.0
310.13031	17.8
310.16837	0.2
311.13757	2.8
319.10703	7.9
320.11316	0.6
321.12201	0.2
323.10150	0.2
325.11755	0.3
337.11728	100.0
338.12503	28.9
339.13239	2.0
341.14908	0.2
351.13281	0.4
352.13992	0.3
355.12781	0.4
369.14362	27.5
370.15125	8.0
371.15872	0.8
434.20523	0.6
450.20200	1.6
460.18427	0.4
478.19635	18.1
479.19971	0.4
496.20810	0.8
510.22263	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	510.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.3
55.05495	2.8
60.63437	1.5
67.05495	11.1
69.03413	2.4
69.07058	4.5
69.64238	10.5
70.06574	5.2
72.08120	1.8
73.02898	1.5
79.05463	6.0
81.03391	3.1
81.07043	7.2
82.06562	3.3
83.04971	2.6
84.08145	3.4
85.02898	2.4
85.06495	1.6
86.09692	4.5
91.05468	5.7
93.07030	5.3
94.06599	2.0
95.04983	4.2
95.08597	17.8
96.08115	3.1
97.02870	3.4
98.21507	2.1
103.05434	3.3
105.07006	6.7
107.04914	3.7
107.08561	4.4
108.08109	1.9
109.02853	3.4
109.10130	5.1
110.06036	3.2
116.04966	2.2
117.07001	2.8
118.06572	1.9
119.04919	3.0
119.08563	2.7
120.04423	2.6
120.05192	1.7
120.08090	4.2
121.05285	1.6
121.06476	5.9
121.10114	5.3
122.03659	2.9
122.06009	1.7
123.08022	2.5
123.11666	2.4
124.07570	56.3
126.05490	3.7
127.03857	1.7
128.07079	1.8
129.07054	1.8
129.10167	1.4
131.08585	2.4
133.06328	1.6
133.10147	1.6
136.07558	2.7
137.05954	26.8
138.05446	4.7
138.06317	6.0
138.09108	4.4
140.06978	2.2
142.41333	1.4
144.04417	4.0
145.10054	1.8
146.05981	14.5
147.04245	1.9
149.06000	2.1
149.09599	1.7
149.13293	1.8
151.03831	2.6
151.07516	8.9
152.06926	3.4
152.08003	2.3
153.01813	2.1
154.04950	10.6
160.07727	1.6
161.05956	19.1
161.09615	5.6
162.06447	8.8
162.09955	2.3
163.07533	3.4
164.10629	11.7
167.06996	10.7
172.03883	28.7
174.05467	6.1
174.06824	2.2
175.07478	5.7
176.07976	2.1
177.09085	2.1
177.16388	2.2
181.04990	2.0
189.09102	10.3
190.04987	3.6
190.09367	6.1
192.10165	18.9
195.10217	3.6
196.10207	1.8
197.10724	2.7
204.06531	54.4
206.08107	20.9
207.10199	12.1
208.10474	7.9
209.08147	4.0
209.10698	3.4
212.09396	3.2
213.10283	2.9
222.07780	2.9
223.12357	3.0
224.09334	2.4
225.10240	15.7
226.10985	2.2
235.08632	4.3
236.09444	6.6
237.10202	46.2
238.10999	2.5
239.11746	6.9
241.09671	4.6
241.13266	1.9
243.11295	5.2
245.12805	2.9
249.10233	3.1
250.07205	2.2
250.11041	5.7
251.11769	28.1
252.09023	3.2
253.09738	10.4
253.13226	2.7
254.10501	1.9
255.11305	3.5
259.10654	2.7
263.11618	3.1
263.14044	2.7
264.08871	1.8
265.09717	59.3
266.10663	8.0
267.11267	22.0
269.09137	2.4
269.12827	3.2
279.11258	28.0
280.08224	2.3
280.11966	3.3
281.09225	2.0
281.13065	3.4
282.09857	2.7
283.10684	6.6
284.11554	2.6
285.12326	2.4
287.10205	35.0
290.08743	2.0
291.11087	3.4
293.09186	41.9
294.09903	5.0
295.10767	16.3
297.12326	19.9
298.11859	3.6
299.71762	2.0
303.05093	9.5
307.10730	14.6
308.11398	2.1
309.12204	5.9
311.10162	4.4
311.13416	2.4
312.10458	2.7
313.11807	11.4
313.16370	3.4
315.13535	9.5
325.07956	3.3
325.11771	60.8
326.12421	5.7
327.13199	3.9
329.14914	55.1
335.10199	30.7
337.11826	6.6
338.14661	4.9
339.13263	2.4
341.14764	2.2
347.16031	2.1
353.11276	87.6
354.11899	5.2
356.15784	3.4
357.14294	3.2
358.15094	1.9
367.12897	3.7
385.13910	23.4
388.56470	1.9
436.18753	2.4
446.83344	1.4
450.20258	25.4
460.18369	5.7
466.23120	2.8
478.19699	100.0
479.20297	2.6
482.22452	6.4
492.21353	17.4
496.20563	2.9
510.22321	28.5
511.12070	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	510.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.7
55.01855	3.2
57.03426	1.1
64.78394	1.1
65.03931	3.2
67.75206	1.1
69.03403	1.5
70.03047	2.3
70.03459	3.8
75.04462	2.6
77.93219	1.1
78.04691	2.2
79.05479	6.1
81.03365	1.3
81.07041	1.5
84.08128	1.8
85.02881	2.5
86.09685	3.9
89.63600	1.1
91.05466	36.4
93.03378	7.0
93.07028	5.0
95.04964	5.7
97.06512	1.7
98.21445	1.8
103.05454	12.5
105.03378	5.1
105.07015	5.5
106.04161	19.7
107.04954	6.9
109.06487	7.6
110.03674	1.3
115.05453	2.6
117.03326	1.1
117.06990	1.9
118.04138	2.4
119.04920	32.4
120.08073	1.6
121.06486	21.9
121.08368	1.2
123.04427	3.5
123.08040	2.3
125.05968	5.1
129.06941	1.8
131.04900	9.1
131.08511	1.4
132.05731	3.0
133.06474	7.2
134.03633	2.8
135.04369	1.6
136.05145	1.2
137.05945	6.5
139.07515	2.3
145.02814	1.4
145.06441	1.4
147.04369	11.0
147.08058	3.4
148.05177	3.4
149.05952	32.1
150.06528	1.3
151.03976	1.8
151.07513	17.3
153.09064	8.7
159.08029	4.2
160.05165	3.0
161.05957	29.7
161.07251	2.3
162.06746	6.9
163.03867	1.6
163.07527	6.5
165.05478	4.5
167.07018	41.7
175.07527	10.3
177.05447	22.1
179.07005	19.6
180.07768	7.3
181.08556	16.4
187.07489	11.5
190.00844	1.1
190.06229	2.9
191.06995	19.2
191.08578	2.2
192.07787	9.6
193.08521	2.8
201.15948	1.3
205.08559	38.0
209.08051	100.0
209.15411	4.0
210.08498	1.7
217.08543	2.9
223.04181	7.9
227.16385	1.4
235.09621	16.4
255.14182	1.4
309.11047	1.9
321.11270	2.0
339.12268	4.0
341.13831	4.9
359.14856	4.6
371.10611	1.3
371.14804	7.1
379.17523	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	508.4198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17212	2.4
55.05482	2.9
57.07064	100.0
59.04987	37.9
67.91443	2.4
69.07055	3.6
69.36385	2.6
69.36717	22.9
70.67785	2.8
71.08624	70.6
81.07042	3.6
83.08597	3.3
85.10164	59.3
87.04460	31.1
93.07022	2.5
97.10178	4.7
97.29326	2.6
99.11697	13.7
101.09681	3.0
113.13269	5.8
117.09101	17.7
121.35733	2.4
155.17896	7.1
164.02809	2.6
213.22090	18.7
254.24657	3.4
266.99869	2.8
271.26355	23.1
463.40378	3.1
508.36459	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	509.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	13.0
55.01856	12.6
55.05501	14.7
57.03419	8.8
57.07053	6.5
61.02913	12.2
67.05496	16.6
68.99781	5.3
69.03419	58.5
69.07051	18.9
70.06582	4.3
71.04998	15.0
71.08624	3.3
71.55385	5.1
73.02898	10.6
78.63753	2.7
79.05489	16.6
80.87231	3.0
81.03404	61.1
81.07037	35.7
83.04961	6.5
83.08612	16.3
85.02890	100.0
85.06526	13.0
87.00807	33.3
87.04456	3.4
91.05460	23.7
93.07016	29.0
95.04963	7.5
95.08588	32.5
97.02869	45.0
97.10171	3.8
99.04442	19.3
99.91953	3.1
100.07521	3.3
100.11247	5.3
105.01860	30.8
105.07024	28.7
107.04954	7.0
107.08585	32.6
109.02850	48.0
109.06499	3.2
109.10137	25.8
111.04437	6.8
111.08073	3.4
113.09598	6.5
115.03880	5.5
115.05424	3.0
117.01827	7.9
117.06991	11.2
119.08560	33.2
121.06416	4.9
121.10117	26.6
123.08087	3.7
123.11696	12.8
125.09640	4.0
127.03894	89.1
128.21483	2.8
129.01785	7.9
129.06992	3.4
130.07788	2.8
131.08528	18.3
133.08609	3.7
133.10107	54.4
135.08093	3.1
135.11676	25.5
137.05969	3.6
137.09618	4.8
137.13208	3.1
139.11140	2.8
143.08549	7.9
145.04955	32.1
145.06068	5.1
145.10077	32.2
147.02873	6.9
147.08090	3.9
147.11658	14.7
149.09572	4.8
149.13222	8.6
151.07570	5.4
155.08466	3.1
156.13815	6.4
157.10132	10.4
158.10980	4.8
159.02866	35.8
159.11681	32.6
161.13242	11.9
163.11119	5.3
163.14804	6.4
165.09113	3.0
167.07018	12.3
170.15329	3.2
171.11635	6.8
173.09590	3.9
173.13246	34.9
175.11005	2.8
175.14751	24.1
182.15379	8.9
185.13216	6.5
187.11252	4.1
187.14752	24.1
189.09142	3.9
189.16318	3.7
199.14827	5.4
201.16364	21.0
203.17929	9.2
210.14911	6.4
211.14806	5.2
213.03975	4.2
215.17966	3.5
231.04967	19.3
241.19478	3.5
243.21046	46.0
259.20578	5.6
261.22067	21.1
296.17548	2.8
303.23334	3.1
326.28052	4.5
350.23840	3.2
356.52499	2.8
368.25198	19.5
370.34521	2.8
451.91357	3.2
473.25204	5.8
491.26117	6.6
509.27036	11.8
509.40237	15.8
533.89368	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	508.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12223	3.5
53.03933	7.5
55.05504	51.6
57.03432	7.5
57.07069	24.1
60.08160	7.2
61.02914	3.9
62.06079	11.5
67.05171	6.4
67.05495	70.1
69.03412	16.1
69.06680	4.6
69.07059	88.0
71.04996	6.8
71.08620	16.6
71.53084	4.4
73.02911	4.8
76.78821	3.6
79.05495	26.1
81.03409	23.3
81.07045	95.6
83.04983	5.5
83.08601	60.8
84.08150	4.0
85.02895	23.1
85.06516	6.9
85.10146	5.5
86.09698	13.9
87.04466	5.3
91.05468	11.7
93.07033	45.5
95.08597	66.1
97.02885	15.1
97.06503	7.3
97.10154	42.4
98.98470	4.2
99.04461	6.9
104.10741	25.9
105.07030	9.8
107.08567	31.3
108.04554	3.5
109.02880	10.0
109.10154	37.1
109.25669	3.3
111.04420	5.7
111.08074	8.1
111.11701	10.9
113.09575	3.8
119.08582	7.5
121.10119	69.7
123.11694	22.8
124.99969	10.1
125.09635	5.1
125.42590	4.1
127.03923	10.0
130.08609	6.5
132.00998	3.6
133.10141	5.5
135.11691	50.4
137.13255	18.6
139.11162	3.9
143.61836	3.2
145.04919	6.8
149.13249	23.0
151.14775	5.0
153.12688	6.9
163.14740	9.6
167.14377	4.3
177.16434	4.1
184.07323	29.9
201.74702	3.5
219.21025	42.5
221.15437	3.4
235.20511	3.9
237.22105	100.0
255.23241	12.3
265.21619	5.7
279.23145	4.3
295.22772	6.2
311.25760	54.4
317.24533	4.7
321.24121	6.1
327.23105	6.9
329.26785	43.2
335.25800	4.5
336.25702	4.2
337.27399	14.6
345.24142	34.5
363.25351	40.9
381.26276	69.7
399.27338	42.0
508.33914	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	508.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.6
56.05016	0.4
57.03408	0.3
58.06347	0.2
58.06594	0.3
60.08153	6.3
61.07924	0.2
67.05492	0.9
69.07054	0.8
70.06566	0.2
71.07361	2.7
71.52925	0.3
79.05496	0.2
81.07043	1.0
83.08599	0.3
84.08157	0.2
86.09692	29.3
91.05482	0.2
93.07034	0.6
93.90354	0.2
95.08588	0.7
96.58859	0.2
97.10155	0.3
98.98444	3.1
99.56581	0.2
104.10727	2.8
107.08572	0.3
109.10120	0.2
121.10107	0.3
124.99984	19.8
135.11690	0.2
143.00978	0.4
161.59541	0.2
184.07310	100.0
185.07593	0.6
244.96037	0.2
325.27350	0.4
336.26050	1.2
368.91095	0.2
379.68344	0.2
490.32776	1.2
508.34003	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	508.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86858	1.6
53.03922	2.2
55.05502	35.4
57.03432	11.3
57.07071	17.0
60.08143	4.0
61.02905	5.8
67.05495	52.4
68.05796	2.0
69.03408	2.0
69.07059	52.6
69.72626	4.6
69.73060	7.3
71.04975	4.3
71.08631	9.0
73.02890	3.5
75.04467	2.1
79.05485	28.4
80.05820	3.3
81.07041	62.5
82.07346	2.8
83.04961	2.6
83.08606	41.9
85.02890	8.5
85.06512	4.1
85.10169	6.4
86.09706	16.4
89.05980	2.1
91.05439	7.0
92.05785	2.9
93.07029	33.0
94.07377	4.0
95.04942	2.5
95.08594	48.7
96.08941	2.4
97.02868	3.4
97.06514	9.3
97.10160	22.2
98.06014	1.9
98.20739	1.9
98.98451	19.2
99.08079	3.6
101.35168	1.8
104.10715	4.5
105.06966	3.9
107.08582	21.9
108.08920	3.3
108.78619	1.7
109.10152	21.9
110.10471	3.3
111.08053	7.6
111.11703	4.5
119.08553	4.4
121.10120	52.1
122.10461	2.2
123.11687	17.8
124.12071	2.1
124.99973	8.6
125.09606	3.7
131.08556	2.5
133.10120	4.4
135.10686	2.7
135.11670	40.8
136.12019	2.1
137.13240	8.8
138.94031	1.7
139.11160	3.1
147.11642	1.8
149.13226	14.8
153.12682	2.1
155.00981	7.3
158.08040	2.4
163.14771	7.4
173.02106	2.7
177.16449	2.8
184.07314	53.4
207.06471	2.9
219.21063	45.2
229.04489	2.3
230.69363	1.6
231.72723	1.6
237.03709	1.9
237.22086	100.0
238.22403	2.2
244.21431	3.0
255.23158	24.6
255.25620	3.0
262.22415	2.1
265.29333	2.1
311.25751	96.0
312.26166	2.0
318.24979	1.9
329.23145	3.2
329.26807	50.0
335.25748	5.4
336.26093	41.6
337.26413	2.3
472.25281	4.2
490.32343	2.0
508.36633	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	508.238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.1
53.03929	0.4
55.01862	0.2
57.03434	0.2
58.14355	0.1
61.02917	0.1
65.03946	0.1
69.03411	0.3
70.06566	0.2
71.52014	0.2
73.02905	0.5
77.03897	0.2
81.03384	0.2
84.04525	0.1
84.08125	0.9
85.02884	0.6
86.09697	0.2
89.03916	0.1
91.05460	2.8
91.06010	0.2
93.07025	4.9
95.04959	1.1
97.02869	0.3
98.97562	0.2
103.05447	2.9
105.04507	0.4
109.02900	0.1
110.07135	0.1
111.12898	0.1
115.03909	0.2
117.03384	0.4
119.04929	0.3
121.06481	100.0
122.06788	0.8
127.03890	0.3
130.08597	0.6
132.10170	0.1
133.04984	0.1
136.06175	1.4
137.06602	0.1
138.09113	36.6
139.09465	0.2
145.02794	1.5
145.04935	0.4
146.08089	0.2
147.04344	1.1
149.06006	0.2
155.07135	0.1
161.02876	0.2
163.05978	0.4
173.08093	0.2
177.05429	3.2
178.05797	0.3
188.07674	0.2
191.81599	0.1
192.07738	0.1
209.10136	0.1
225.07626	0.1
230.08759	0.1
239.11249	0.5
279.09290	0.2
295.06918	0.2
334.11227	0.2
344.08212	0.1
390.12924	0.1
393.12143	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.1
54.78739	1.1
55.01861	5.7
55.05505	3.3
56.05025	1.7
57.03436	3.2
57.07066	1.2
61.02911	4.1
67.05499	8.0
68.87474	1.2
69.03419	12.1
69.07059	6.7
69.40605	11.1
70.06577	9.3
71.04970	4.9
72.08157	3.9
73.02898	3.4
79.05479	22.3
81.03409	9.4
81.07040	26.1
82.06556	1.5
83.04953	3.6
83.08607	1.6
84.04514	1.9
84.08134	14.8
85.02894	36.3
85.06573	1.9
86.09687	11.8
87.00829	3.1
87.04465	4.7
91.03904	1.6
91.05468	8.4
93.07031	48.7
95.04946	6.9
95.08596	28.4
97.02873	9.3
97.06512	9.2
99.04441	5.1
100.07581	1.9
103.05439	2.4
104.07098	2.9
105.01854	4.2
105.03369	2.2
105.07011	45.3
107.04942	5.7
107.08572	20.2
108.57037	1.2
109.02855	7.7
109.06497	8.5
109.10136	8.9
110.07199	1.6
111.04451	1.8
111.08035	2.9
115.03935	1.3
116.07080	1.6
117.07023	1.6
119.04903	1.6
119.08564	24.5
120.08089	9.3
121.06486	3.9
121.10123	48.4
122.06000	6.1
122.10888	2.7
123.04436	1.8
123.08037	17.4
123.11694	10.0
124.07623	1.6
125.05960	11.3
127.03893	10.6
127.07565	2.3
129.06953	1.6
129.10297	1.6
130.04988	3.6
130.08621	18.4
131.08551	4.9
133.06487	13.4
133.07462	2.1
133.10124	10.3
135.08075	2.0
135.11711	4.7
137.05927	8.0
137.09560	2.2
138.05461	2.4
139.07507	6.3
140.07074	2.8
143.08522	2.2
145.04958	6.6
145.10110	5.9
146.08090	1.8
147.07869	5.5
147.11661	11.3
149.09616	4.3
151.03877	1.5
151.07515	41.2
156.09279	2.4
159.02869	2.3
159.11665	3.8
161.05948	1.7
161.09584	1.7
161.13228	62.0
163.11269	2.4
163.14879	2.3
165.09099	2.4
165.12668	1.6
169.08585	31.7
169.12093	1.9
171.11636	6.3
177.05450	2.8
177.09038	1.7
177.12762	1.3
178.04996	1.3
179.14264	18.7
181.04858	1.8
181.12213	3.3
187.14427	4.7
188.03432	1.7
189.09145	1.5
189.12708	26.6
206.04457	1.6
207.06528	4.5
207.13773	100.0
209.08212	1.4
215.14032	1.7
225.14813	43.1
225.16907	2.7
243.15916	5.2
270.04370	1.5
270.11182	1.9
284.11371	1.3
293.58716	1.3
294.14612	7.1
329.11453	1.6
346.20114	4.2
347.12314	1.9
361.13812	2.2
508.16708	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	507.3313
Annotation	Iriomoteolide 1a
Peak:m/z	Relative Intensity
53.03942	9.3
55.01859	5.3
55.05501	30.7
57.03432	9.4
57.07068	39.4
59.04986	6.7
66.51957	2.8
67.05495	76.7
69.03414	30.8
69.07058	34.0
69.59850	14.6
69.60280	10.4
71.04966	7.1
71.08626	31.7
71.37582	3.0
73.02911	8.0
77.41074	3.0
77.65118	2.9
79.05476	41.9
81.03413	29.0
81.07047	85.8
83.04975	8.3
83.08611	20.7
85.02887	25.9
85.06531	9.4
85.10175	29.8
87.04465	12.7
89.06023	30.5
91.05465	55.0
93.07037	60.3
94.58403	3.6
95.04956	11.6
95.08592	75.8
97.02890	18.1
97.06507	6.8
97.10159	11.7
98.21124	10.9
99.04410	6.6
103.03926	22.6
103.07530	3.2
105.07018	74.3
105.07681	6.2
107.08579	49.7
107.62132	3.0
109.02869	10.2
109.06525	3.9
109.10137	43.7
111.04449	7.6
115.03935	4.0
115.05446	3.5
117.06975	23.4
119.08569	71.9
119.09377	3.0
119.50497	3.0
121.06551	5.4
121.10128	38.1
123.08099	3.8
123.11681	17.4
125.09669	3.8
127.03901	16.3
128.06244	4.8
128.51291	3.9
129.05476	4.3
129.06995	9.7
131.07050	4.5
131.08551	52.2
133.08600	18.4
133.10104	51.7
135.11667	21.3
137.13272	4.0
141.07014	3.6
143.08574	15.6
145.04951	4.5
145.10107	59.2
147.08011	4.5
147.11661	37.5
149.13249	16.3
155.08553	5.6
157.10115	18.1
159.11703	39.2
161.09651	4.7
161.13220	29.7
163.11102	3.9
163.14827	9.0
169.10120	7.5
171.11650	19.4
173.13216	37.2
175.14835	15.0
177.11356	7.3
177.16426	4.3
183.11708	12.9
185.13202	8.6
187.11143	3.7
187.14748	20.9
189.16364	14.8
195.00211	17.0
197.13281	5.2
199.14827	10.0
200.15236	3.2
201.16353	16.0
203.18002	7.3
209.13101	3.6
211.14853	6.1
213.16376	9.2
215.17969	8.5
217.15779	4.2
227.12779	3.7
227.17979	4.6
229.14388	9.5
239.17903	4.4
261.22156	9.7
285.21869	6.5
303.23114	5.0
309.25760	9.0
313.27237	3.5
325.25214	9.4
327.26736	40.7
335.25903	7.7
341.24673	3.3
343.26242	4.4
345.27863	24.9
369.27859	6.8
435.28806	12.3
453.29904	20.8
471.30811	24.4
489.31619	82.1
489.41885	4.1
507.26291	4.3
507.32889	100.0
508.33124	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	507.2794
Annotation	Myrsinionoside E
Peak:m/z	Relative Intensity
53.03938	0.9
55.01866	2.8
55.05500	4.2
57.03421	3.4
57.07053	1.8
59.04995	1.0
61.02907	2.1
66.72012	0.4
67.05485	2.3
69.03072	0.9
69.03418	11.1
69.07053	8.8
70.06576	2.3
70.63074	1.7
71.01348	0.9
71.04983	2.8
71.05296	0.5
72.16496	0.4
73.02903	6.9
79.05025	0.5
79.05461	3.0
81.03383	2.3
81.07042	9.6
83.08604	5.8
84.04497	0.6
84.08114	1.8
85.02890	22.0
85.06536	2.4
86.09679	1.9
87.04449	0.8
91.03954	0.6
91.05447	2.8
93.07031	8.3
95.04917	0.9
95.08591	20.1
96.08908	0.5
97.02870	13.4
97.06495	0.7
97.10159	4.4
99.04438	1.3
99.08075	15.7
103.03910	0.8
103.33017	0.6
105.01768	0.5
105.06984	3.0
107.04942	1.0
107.08575	21.1
109.02821	2.4
109.10131	6.8
111.08057	5.5
111.11682	0.5
113.09624	1.3
114.40788	0.5
115.03928	4.3
119.08552	1.1
120.08101	2.8
121.10121	38.4
123.08023	0.5
123.11665	1.3
125.09633	4.0
125.13234	0.6
127.03894	7.5
129.10190	0.6
130.08623	1.2
131.08960	0.5
133.04933	7.3
133.10110	0.5
135.11661	7.8
137.05969	1.1
137.13223	4.6
139.11154	0.9
145.04927	7.7
149.13223	3.5
157.04890	0.7
163.05992	4.1
167.07028	0.5
177.16351	100.0
178.16728	0.8
182.62827	0.5
193.05005	0.9
195.15608	1.0
195.17407	22.1
213.18454	52.4
214.18817	0.8
223.05980	1.7
225.14780	0.8
241.06969	1.7
259.08026	2.8
295.10114	0.8
303.04550	0.6
375.23782	0.7
507.17938	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.6
55.01851	0.9
55.05508	12.0
57.03429	8.5
57.07052	3.0
59.04992	0.7
67.05496	38.2
69.07060	11.0
71.04993	1.8
71.08611	2.8
73.02879	1.5
75.04420	0.8
79.05481	23.0
81.07043	30.2
83.04979	0.8
83.08602	4.4
85.06495	0.8
85.10167	1.8
86.09705	1.5
87.04452	2.0
89.06010	6.1
91.05468	14.8
93.07028	30.6
93.97622	0.7
95.04936	2.5
95.08592	28.4
97.06496	2.3
97.10158	1.8
98.20720	1.8
98.98452	43.4
104.10732	1.1
105.06361	1.3
105.07015	10.3
107.08579	16.0
109.06493	1.0
109.09454	1.2
109.10142	12.7
111.08031	1.1
116.99499	1.3
117.06985	2.8
119.08548	9.4
121.10126	14.3
123.08016	1.0
123.11710	4.4
123.12463	0.7
131.08498	5.2
133.08557	2.3
133.10083	7.9
135.11662	7.3
137.13216	1.6
139.11139	0.9
145.10135	4.9
147.11714	4.9
149.13258	5.0
155.01027	19.6
155.75514	0.8
159.11656	4.5
161.13213	3.4
163.14807	2.5
165.12610	0.8
173.02092	5.0
173.13225	3.4
175.14726	1.5
177.11194	1.4
177.16393	0.9
184.07304	2.4
187.14725	1.8
229.04707	2.6
229.59383	1.7
233.22626	1.2
237.22063	1.3
243.08417	0.9
243.21013	4.7
247.05725	4.3
261.22095	12.2
299.23315	1.2
317.24637	7.7
335.25742	100.0
336.26126	2.5
345.28253	1.0
379.99994	1.0
387.86783	0.9
415.22363	1.0
471.24899	5.4
508.33850	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	11.7
57.03418	4.3
57.07052	9.1
57.66179	1.7
60.08152	15.4
60.40854	1.6
60.59497	1.7
61.02901	2.6
67.05158	3.7
67.05492	41.5
69.07058	14.5
70.00261	9.6
71.04990	3.0
71.07348	4.1
71.08617	2.3
75.47562	1.8
79.05471	9.9
81.07042	47.9
83.04969	1.8
83.08599	8.5
84.08135	2.8
85.02888	5.8
85.06499	3.1
86.09693	46.9
91.05465	12.9
93.07028	12.9
95.08592	39.1
97.06519	4.4
97.10139	3.9
98.98476	4.9
99.08069	5.8
104.10725	90.1
105.07033	7.7
105.34806	1.8
107.08579	8.6
107.46088	1.8
109.10120	15.1
113.09626	3.4
119.08559	10.1
120.08065	2.0
121.10107	11.3
123.08080	2.3
123.11703	12.3
124.99986	23.8
127.11230	2.9
133.10094	13.3
135.11661	14.9
137.13252	10.3
147.11646	6.6
149.13208	4.7
151.14798	8.4
161.13261	8.2
175.14832	2.9
184.07320	100.0
207.85590	2.2
217.19479	44.9
218.19714	1.8
235.20535	55.5
235.22772	4.1
264.23285	2.1
309.24176	22.9
327.25192	2.4
334.24600	6.9
488.30954	7.5
488.37286	4.8
496.68625	2.5
502.36758	2.2
506.32324	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	507.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.2
55.01852	0.7
55.05501	6.6
57.03425	8.5
57.07065	1.4
65.03921	0.8
67.05493	32.8
69.07055	7.2
71.08588	0.9
71.54597	0.8
75.00319	0.7
75.82326	0.7
77.63927	0.6
77.70244	0.6
79.05051	1.1
79.05476	12.8
81.07040	29.1
83.04945	0.9
83.08611	3.5
89.06030	1.0
89.29742	0.5
91.05462	6.6
93.07026	17.8
95.04944	1.7
95.08588	24.5
97.06485	1.0
97.10136	1.8
98.98447	19.8
105.04545	0.6
105.06995	5.5
107.08556	7.4
109.06483	0.7
109.09464	0.7
109.10136	7.7
111.08037	0.7
117.07005	1.3
119.08557	4.1
121.10113	7.6
123.11679	3.3
131.08536	2.1
133.08575	0.9
133.10103	3.3
135.11646	4.7
137.09584	0.9
145.10091	1.8
147.11662	2.4
149.13203	2.0
155.00998	2.9
158.54626	0.6
159.11647	1.4
159.81406	0.6
161.13235	2.1
163.14873	0.8
173.02094	4.9
173.13177	0.6
199.16866	1.0
215.98895	0.5
216.40050	0.7
243.21013	1.5
261.22034	3.9
274.70132	0.6
317.24881	1.9
335.25729	100.0
336.26178	3.0
374.40863	0.7
488.20184	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69459	0.4
55.01852	0.5
61.02919	0.7
67.05450	0.4
69.03410	1.7
70.06575	1.8
70.06918	0.4
70.95043	1.3
72.08143	1.1
73.02896	0.5
73.06541	1.0
81.03413	0.9
84.08125	1.7
85.02890	5.7
86.09695	0.5
87.04425	2.8
89.06016	89.2
91.05495	0.7
97.02863	1.9
99.04423	0.4
107.07049	2.7
107.08614	0.6
109.02799	0.7
114.05510	0.4
117.03381	1.3
119.04955	0.5
120.08123	0.6
123.04343	0.5
127.03922	0.9
130.08595	2.2
131.07050	0.6
133.08583	46.6
135.94865	0.4
137.05942	0.8
143.04904	1.3
145.02837	3.1
146.02733	0.6
147.04422	1.2
149.05974	0.9
151.03880	0.7
152.07097	0.4
153.05507	0.9
160.05209	0.6
161.05992	2.1
171.04373	0.9
175.07536	2.1
177.05444	8.1
177.11197	17.4
178.04869	0.4
179.06992	0.8
189.05545	0.5
191.06941	0.4
201.05434	0.9
203.06966	4.5
207.06506	0.9
217.05136	0.5
221.08098	0.6
221.13795	4.3
227.07028	1.2
231.06456	1.6
239.14868	3.7
245.08052	1.8
249.07555	8.5
250.08087	0.5
273.07495	2.4
283.17453	2.8
291.08582	1.4
309.09634	5.3
309.18991	1.2
315.13638	0.5
327.20078	100.0
328.20422	1.1
344.15170	0.6
419.41064	0.4
506.20087	0.6
506.27844	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	506.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.4
55.37498	0.1
56.05024	0.4
58.06617	0.4
60.08153	6.1
67.05491	0.8
69.07078	0.3
71.07365	2.6
71.28808	0.3
76.20457	0.2
81.07041	0.7
86.09692	26.6
91.05447	0.2
93.07019	0.3
95.08591	0.4
97.10110	0.2
98.98444	2.4
101.49464	0.2
104.10722	2.6
107.08599	0.2
124.99983	18.0
143.01018	0.3
166.02676	0.2
177.16739	0.1
184.07309	100.0
185.07614	0.6
199.35786	0.1
246.77043	0.2
276.37924	0.2
299.98172	0.2
354.21399	0.2
488.31290	1.1
506.05182	0.2
506.25076	0.2
506.32361	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	506.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	1.2
53.03930	3.6
53.50299	0.9
54.72653	1.1
55.01854	4.7
55.05487	5.6
56.05011	1.0
57.03424	1.0
59.04971	1.2
65.03936	1.1
67.05478	6.2
69.03412	4.5
69.07063	6.0
70.06572	3.3
70.14063	4.5
71.04968	5.7
72.08147	1.5
72.25325	1.0
74.28970	0.9
75.01133	0.8
79.05476	16.8
81.03405	1.3
81.07037	26.5
82.07346	1.1
83.04956	5.0
83.08574	1.2
84.04444	1.3
84.08115	2.1
85.02875	4.3
85.06529	5.9
86.09690	2.8
87.04456	1.2
91.05453	17.1
93.07022	55.7
95.04438	1.0
95.04938	6.5
95.08580	8.4
97.02872	3.0
97.06508	8.7
99.04437	10.8
101.06004	1.5
103.05437	1.0
105.06999	22.3
107.04916	4.3
107.08568	29.4
107.97187	0.9
108.08910	1.1
109.06491	17.2
109.10124	4.1
110.07123	0.9
111.08048	1.4
113.05974	2.0
115.05431	1.4
117.07001	4.0
119.04895	3.0
119.08560	20.3
121.02806	1.3
121.06480	36.6
121.10114	4.9
122.06826	1.1
123.04371	1.7
123.08035	3.6
123.11636	1.4
125.05957	3.2
125.09612	1.0
127.03919	1.1
127.07528	10.9
129.06970	4.6
130.08627	1.9
131.04893	2.4
131.08537	8.0
131.16502	0.9
133.04921	2.4
133.06436	5.3
133.10094	12.2
135.04379	7.2
135.08031	21.6
135.11671	4.7
137.05933	8.7
137.09581	2.6
138.06261	1.0
139.07457	4.7
141.05492	1.2
142.07753	3.8
143.03374	1.3
143.08525	12.7
145.06480	2.4
145.10106	9.8
147.04384	1.3
147.07962	5.5
147.11662	28.0
149.05939	2.4
149.09544	1.9
149.13237	2.0
151.07491	3.7
153.05464	1.2
153.09079	7.3
154.04910	1.1
155.08524	1.7
156.09311	5.6
157.10089	20.5
159.07991	2.4
159.11577	2.2
161.05983	1.9
161.09592	4.4
161.13216	9.5
162.06717	1.5
163.11119	5.5
163.14726	1.0
165.09138	1.6
167.06955	1.8
169.04927	4.9
171.11652	33.0
173.09567	11.0
173.13200	1.9
175.07536	1.7
175.11156	21.2
181.10037	2.8
189.12706	34.8
191.10660	3.0
193.12201	3.0
199.11134	19.8
207.13744	22.9
215.09004	1.4
217.12186	63.3
218.12540	1.8
220.30234	1.1
224.16852	1.1
235.13235	100.0
236.13611	2.7
241.17915	2.3
253.14294	54.4
267.12195	2.0
268.11334	1.2
321.13254	2.1
321.16788	2.1
330.23282	1.4
331.15329	3.7
339.14264	4.0
349.16379	27.4
357.15164	3.2
367.17657	1.8
401.12338	1.4
453.17596	8.8
471.17914	2.1
474.16406	2.3
506.18954	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	506.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	1.2
53.03930	3.6
53.50299	0.9
54.72653	1.1
55.01854	4.7
55.05487	5.6
56.05011	1.0
57.03424	1.0
59.04971	1.2
65.03936	1.1
67.05478	6.2
69.03412	4.5
69.07063	6.0
70.06572	3.3
70.14063	4.5
71.04968	5.7
72.08147	1.5
72.25325	1.0
74.28970	0.9
75.01133	0.8
79.05476	16.8
81.03405	1.3
81.07037	26.5
82.07346	1.1
83.04956	5.0
83.08574	1.2
84.04444	1.3
84.08115	2.1
85.02875	4.3
85.06529	5.9
86.09690	2.8
87.04456	1.2
91.05453	17.1
93.07022	55.7
95.04438	1.0
95.04938	6.5
95.08580	8.4
97.02872	3.0
97.06508	8.7
99.04437	10.8
101.06004	1.5
103.05437	1.0
105.06999	22.3
107.04916	4.3
107.08568	29.4
107.97187	0.9
108.08910	1.1
109.06491	17.2
109.10124	4.1
110.07123	0.9
111.08048	1.4
113.05974	2.0
115.05431	1.4
117.07001	4.0
119.04895	3.0
119.08560	20.3
121.02806	1.3
121.06480	36.6
121.10114	4.9
122.06826	1.1
123.04371	1.7
123.08035	3.6
123.11636	1.4
125.05957	3.2
125.09612	1.0
127.03919	1.1
127.07528	10.9
129.06970	4.6
130.08627	1.9
131.04893	2.4
131.08537	8.0
131.16502	0.9
133.04921	2.4
133.06436	5.3
133.10094	12.2
135.04379	7.2
135.08031	21.6
135.11671	4.7
137.05933	8.7
137.09581	2.6
138.06261	1.0
139.07457	4.7
141.05492	1.2
142.07753	3.8
143.03374	1.3
143.08525	12.7
145.06480	2.4
145.10106	9.8
147.04384	1.3
147.07962	5.5
147.11662	28.0
149.05939	2.4
149.09544	1.9
149.13237	2.0
151.07491	3.7
153.05464	1.2
153.09079	7.3
154.04910	1.1
155.08524	1.7
156.09311	5.6
157.10089	20.5
159.07991	2.4
159.11577	2.2
161.05983	1.9
161.09592	4.4
161.13216	9.5
162.06717	1.5
163.11119	5.5
163.14726	1.0
165.09138	1.6
167.06955	1.8
169.04927	4.9
171.11652	33.0
173.09567	11.0
173.13200	1.9
175.07536	1.7
175.11156	21.2
181.10037	2.8
189.12706	34.8
191.10660	3.0
193.12201	3.0
199.11134	19.8
207.13744	22.9
215.09004	1.4
217.12186	63.3
218.12540	1.8
220.30234	1.1
224.16852	1.1
235.13235	100.0
236.13611	2.7
241.17915	2.3
253.14294	54.4
267.12195	2.0
268.11334	1.2
321.13254	2.1
321.16788	2.1
330.23282	1.4
331.15329	3.7
339.14264	4.0
349.16379	27.4
357.15164	3.2
367.17657	1.8
401.12338	1.4
453.17596	8.8
471.17914	2.1
474.16406	2.3
506.18954	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	506.186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00607	0.5
50.34777	0.5
50.59833	0.5
52.91151	0.4
53.03918	0.6
55.01851	1.9
55.05476	0.7
57.03415	1.0
57.58550	0.5
60.04458	0.5
61.02908	0.7
62.39741	0.5
69.03407	2.6
70.06584	4.2
70.09402	1.1
70.09795	1.1
72.08128	2.1
73.02899	1.8
79.05460	0.5
81.03389	1.4
84.04492	0.8
84.08118	3.4
85.02889	8.4
86.09682	1.5
87.04432	0.6
87.05590	0.5
88.02226	0.6
88.03957	0.6
89.03881	0.8
89.06011	6.9
90.05524	0.7
91.05437	0.9
91.27592	0.6
93.07040	0.9
95.08616	0.7
97.02873	3.1
99.04414	0.7
99.08077	1.4
103.05427	1.0
105.07011	1.0
107.08578	0.7
109.02839	1.3
109.10152	0.6
110.07142	0.5
115.03963	0.6
115.05412	3.7
116.07122	0.5
117.03353	3.5
117.06975	1.3
119.04930	1.7
120.08073	0.5
120.27685	0.4
121.10014	0.6
127.03900	1.7
129.07002	0.7
129.10210	1.1
130.08617	3.1
131.04889	2.0
133.02762	0.6
133.06480	0.6
133.08565	3.4
135.04315	0.6
136.07562	1.2
137.05928	1.5
141.06964	1.2
143.04892	14.6
144.08083	1.4
145.02821	6.5
145.04918	1.3
146.03635	0.7
146.08040	0.8
147.04343	3.4
147.08028	0.6
149.05959	2.2
153.05394	1.4
157.06412	1.3
160.05182	3.5
161.05959	11.1
162.06645	0.8
163.07465	1.5
169.06483	1.2
171.04372	10.0
173.05928	0.7
175.03941	1.4
175.07507	22.0
176.04668	1.3
177.05441	18.4
177.09018	0.6
177.11182	1.4
178.04893	0.8
179.07024	1.7
185.05969	1.0
187.07463	2.7
188.04637	1.1
189.05434	8.5
191.06970	6.2
194.16113	0.7
199.03831	1.3
199.07428	0.9
201.05455	2.7
201.09132	0.7
203.06993	47.4
204.07430	0.7
205.04927	1.0
205.08492	1.2
207.06517	1.6
212.04608	1.2
212.17139	0.6
213.05302	1.1
215.06958	1.6
217.04964	6.6
217.08560	1.7
219.06494	1.8
221.08017	3.7
224.16472	0.8
227.07010	7.1
229.08583	2.2
231.06496	10.4
245.08061	7.1
247.06032	0.7
249.07539	100.0
250.07942	0.8
261.07584	1.9
263.09143	3.6
273.07532	13.2
291.08591	7.7
309.09592	12.4
327.20151	6.9
408.76523	0.6
506.16760	1.7
506.27206	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.29
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
55.01854	3.3
55.05260	1.3
55.05505	15.3
57.03427	5.2
57.07066	8.0
65.03918	1.1
67.05494	29.0
69.03422	5.4
69.07059	18.3
69.60353	4.3
69.60755	1.6
70.02957	4.6
71.04973	2.4
71.08614	5.1
74.02785	0.8
79.05483	19.6
81.03407	6.5
81.07045	31.1
83.04971	1.4
83.08604	14.5
85.02888	2.7
85.06504	1.1
85.10163	0.9
91.05463	12.7
93.07027	22.8
95.04961	4.3
95.08588	23.4
96.00816	5.0
97.02874	38.7
97.06514	3.0
97.10162	9.0
99.04428	1.5
99.08051	1.3
103.03943	1.0
104.15979	0.8
105.07016	13.2
107.04930	1.6
107.08574	15.6
109.06517	1.8
109.10145	11.5
111.08057	1.4
111.11706	1.7
113.03474	75.8
115.03820	2.7
117.05457	1.5
117.06998	6.1
119.08562	10.5
121.10130	13.3
123.08082	1.4
123.11691	5.3
125.09540	1.0
128.61476	0.8
129.06975	3.0
131.08557	9.7
133.10135	10.1
135.07999	1.4
135.11665	10.5
137.13235	1.8
139.11133	1.1
141.06992	1.1
143.08531	2.7
145.10069	7.1
147.11700	6.5
149.09660	1.3
149.13229	6.8
155.08501	1.5
157.10080	3.0
159.11716	7.2
161.13271	4.9
163.14821	2.6
167.08521	1.3
169.10097	2.3
171.08076	0.9
171.11682	3.0
173.09624	1.4
173.13217	5.3
175.11076	1.7
175.14752	2.3
176.99185	3.6
183.11636	1.5
185.09535	1.4
185.13219	2.5
187.14839	2.7
193.12160	1.8
195.00272	100.0
195.11722	1.0
197.13263	1.1
199.14751	1.3
201.12827	0.9
213.00082	1.2
213.16377	1.3
241.19438	1.8
243.21053	3.8
259.20575	4.3
261.22092	18.1
262.13297	0.8
273.22137	1.4
277.21588	7.6
279.22940	1.4
285.21884	1.1
289.21506	0.9
297.22012	1.0
301.21411	1.5
301.25327	0.9
303.23190	5.9
311.25891	12.1
315.23120	1.8
319.22635	2.4
329.24640	2.2
333.24170	1.2
339.23074	6.0
357.24133	13.3
375.25311	8.9
393.26285	12.9
464.76413	1.1
480.31879	1.1
505.24945	23.5
505.39471	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	506.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	0.5
53.03929	0.8
55.01852	1.1
55.05505	0.6
56.05019	0.5
57.03444	0.6
59.04985	1.6
60.04501	0.7
61.21709	0.6
63.02351	0.7
65.03917	0.9
67.05479	1.1
68.05005	0.9
69.03427	1.1
69.07037	1.0
70.06248	0.5
70.06586	7.2
70.73727	1.3
70.74055	0.6
71.04974	0.7
72.08161	4.1
74.06084	0.7
79.05453	1.5
81.03398	1.5
81.07027	0.9
82.06548	0.7
83.04969	0.9
84.04481	2.3
84.08128	5.0
85.02891	3.2
86.06036	0.6
86.09690	4.3
87.00800	0.5
87.04452	0.6
87.05577	0.7
88.02181	0.6
88.03941	0.7
89.03902	8.2
89.06002	0.8
91.05466	5.9
93.07020	1.1
95.04936	1.5
95.08582	1.4
97.02878	1.4
98.06005	0.6
98.40046	0.6
99.04431	0.8
100.07597	0.9
102.05512	0.7
103.03916	0.8
103.05457	1.5
105.07027	2.4
107.04956	0.8
107.08560	1.4
107.09575	0.6
109.02850	1.1
109.06466	0.7
110.07166	0.9
111.04417	0.7
111.08031	0.6
116.07069	1.4
116.10713	0.8
117.03360	26.5
117.05476	1.0
119.04913	7.1
119.08533	1.4
120.08080	1.6
121.02754	0.6
121.06457	1.4
121.10104	1.2
122.05973	0.7
123.04448	0.6
123.08054	0.8
125.09614	0.6
127.03875	1.5
129.10179	0.7
130.04951	0.9
130.06499	0.6
130.08604	3.0
131.04944	0.8
131.08502	0.7
133.02843	3.7
133.06439	1.6
134.03593	1.4
135.04375	2.5
135.08008	0.7
135.11659	0.6
136.03902	0.5
136.07562	1.4
137.05957	8.5
138.05458	4.9
138.06355	0.7
139.03894	0.7
140.07040	0.7
145.02820	59.7
145.10089	1.0
146.08098	1.2
147.04376	12.2
147.07857	0.6
147.11632	0.6
149.05956	11.0
150.06718	0.7
151.02718	0.9
151.03888	9.9
151.04997	0.8
151.07541	2.1
152.07021	1.4
153.05537	0.5
153.06999	0.6
157.09723	0.8
158.05977	0.7
158.84177	0.5
159.11642	0.6
160.05150	0.6
161.06007	3.3
162.06693	1.7
163.03896	0.9
163.07515	0.7
165.05400	0.9
165.09109	0.6
172.04318	0.6
173.12828	1.7
174.05551	0.5
175.03893	3.9
175.07462	1.3
176.03389	3.1
176.04710	0.7
177.05438	100.0
178.04756	2.6
179.07014	7.8
180.07726	1.2
181.04877	0.7
185.13257	0.6
186.05473	2.0
187.07452	0.8
187.14745	1.0
189.05510	0.7
191.06995	1.0
192.06512	2.2
194.04440	0.7
195.06497	0.8
198.07582	0.9
201.05447	6.9
201.12379	1.1
203.06982	1.4
205.10136	0.7
205.12123	0.8
205.15828	0.7
206.04514	0.7
212.16417	0.8
223.13199	1.0
224.16301	0.5
225.10181	0.5
227.06992	0.9
231.06541	1.2
244.06120	0.7
245.08066	1.2
253.09714	0.6
255.11211	0.6
268.11685	0.6
273.07562	1.7
278.10266	0.5
290.06491	1.0
291.08548	1.5
302.12173	0.6
305.08011	1.4
307.09579	0.6
308.07690	0.8
309.09344	1.0
314.11975	0.6
325.10666	5.7
326.11319	0.7
326.17783	1.4
337.10614	2.4
341.10065	1.1
355.11530	3.4
373.12607	2.5
376.15332	0.7
392.18835	0.6
474.15225	1.5
488.14099	0.9
506.17377	3.5
506.24329	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	505.2632
Annotation	Platanionoside G
Peak:m/z	Relative Intensity
53.03926	2.2
55.01863	4.0
55.05503	5.5
55.11658	0.7
56.05009	0.7
57.03436	6.7
59.04985	2.2
61.02915	6.6
63.81033	0.9
67.05493	6.7
69.03419	15.2
69.07053	3.1
70.06583	4.5
71.01337	1.6
71.04993	4.9
72.08138	1.6
73.02905	39.2
73.06531	2.2
79.05471	4.0
81.03393	3.0
81.07025	8.0
83.04950	3.0
83.08608	5.0
84.04475	1.2
84.08119	2.6
85.02888	27.8
85.06528	4.2
86.09669	3.7
87.04444	2.6
91.05460	3.1
91.07575	3.1
92.07899	0.8
93.07027	9.0
94.06503	0.9
95.04954	10.6
95.08592	14.5
97.02874	17.4
97.06490	1.1
97.10122	0.8
99.04440	7.8
99.08077	52.4
100.07600	1.0
103.03927	1.8
105.07012	4.1
107.04966	0.9
107.08577	11.7
109.02853	2.9
109.06484	2.1
109.09460	1.5
109.10139	16.6
111.08067	1.6
113.05996	1.1
115.03915	12.4
118.77774	0.7
119.08581	6.1
120.08085	1.0
121.06499	1.4
121.10161	6.0
123.08044	1.6
123.11695	5.3
125.09616	6.6
127.03894	6.3
130.08623	3.3
131.04900	1.2
131.08636	1.1
133.04956	9.9
133.10133	5.7
135.08023	1.5
135.11676	13.5
136.07585	1.3
137.05943	2.0
137.09601	10.9
138.05461	0.8
139.11191	0.9
145.04930	7.8
145.10129	2.0
147.04340	0.9
147.11682	1.3
149.02333	2.1
149.09637	1.3
151.11116	2.0
153.12796	1.0
155.10623	17.2
163.05998	1.2
163.07449	0.9
163.11124	1.8
164.38734	0.8
165.09090	1.7
165.16345	2.2
167.07031	1.8
173.13278	0.8
175.11301	0.8
175.14841	3.9
176.03381	4.6
177.12602	1.1
178.04965	9.3
181.12163	2.3
193.15849	18.8
205.12108	1.7
211.16896	100.0
221.07922	1.1
223.05928	1.0
223.13235	3.9
225.10194	2.3
239.11749	0.8
241.07037	1.3
253.09749	1.6
259.07928	1.3
267.11273	1.7
295.10605	2.4
313.11844	4.1
335.06873	1.1
337.20108	1.2
343.21115	0.9
355.20908	1.3
373.13983	2.2
394.67780	0.8
470.12875	1.2
473.15625	1.0
488.14380	4.4
505.18118	11.2
505.26178	2.2
506.15915	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	505.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	0.7
55.01852	1.3
55.05502	12.4
57.03435	4.1
57.07073	7.9
67.04893	0.6
67.05494	9.7
69.03410	1.0
69.07059	13.1
70.02947	0.9
71.04960	1.0
71.08624	4.4
71.54294	1.2
79.05478	7.7
81.03416	4.1
81.06641	0.8
81.07040	9.7
82.63001	0.6
83.05000	0.8
83.08603	10.3
85.02902	0.7
85.06512	0.9
85.10147	2.2
91.05475	4.3
93.07034	7.9
95.04931	1.7
95.08581	9.4
96.00816	1.2
97.02882	9.3
97.06487	1.5
97.10151	7.9
103.22562	0.7
105.07050	4.0
107.08573	4.8
109.10147	4.9
111.11711	1.6
112.64163	0.7
113.03470	23.0
115.03692	2.2
117.06953	1.7
119.08561	3.5
120.96645	0.7
121.10115	5.4
123.08022	0.7
123.11660	2.4
125.09557	0.8
129.06996	1.7
131.08521	2.8
133.10117	3.6
135.11684	4.3
143.08524	1.0
145.10094	2.5
147.11642	3.0
149.13261	1.2
156.04683	0.7
157.10075	1.0
159.11670	2.1
161.13248	1.0
163.03905	1.2
163.14685	0.8
171.11618	0.8
173.13206	1.3
173.60146	0.7
174.98422	1.0
175.11078	1.0
176.99225	3.2
181.09650	1.5
187.14778	0.8
193.12154	2.3
195.00262	100.0
201.31900	0.7
213.00104	1.7
227.10223	0.9
259.20349	1.0
261.22089	4.3
277.21555	2.9
289.17664	0.7
303.23035	1.0
311.25778	11.8
319.22632	0.8
329.24380	0.8
333.23984	0.9
339.23062	1.3
357.24170	4.6
375.25290	3.2
393.26282	3.3
413.21359	0.8
505.25128	24.1
505.39221	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	505.2629
Annotation	Platanionoside G
Peak:m/z	Relative Intensity
52.36180	0.5
53.03922	1.9
55.01857	3.3
55.05493	5.1
57.03432	5.5
57.07044	0.9
59.04979	1.8
60.04499	0.6
61.02916	5.4
65.03923	0.8
67.05486	6.2
69.03075	1.0
69.03414	13.7
69.07054	3.2
70.06582	6.0
71.01331	2.2
71.04974	5.1
71.23409	0.6
72.08117	2.4
73.02905	33.7
73.06534	1.7
74.06056	0.5
75.19541	0.5
79.05482	3.1
81.03387	2.6
81.07040	9.0
83.04972	2.9
83.08611	4.6
84.04465	0.8
84.08126	3.2
85.02889	26.1
85.06528	4.2
85.08437	0.8
86.09679	2.9
87.04432	2.4
91.03922	1.0
91.05463	2.6
91.07546	1.6
91.93800	0.6
93.07027	10.2
94.06540	2.6
95.04945	9.4
95.08588	15.1
97.02878	14.7
97.06508	2.0
97.10091	0.7
99.04438	6.3
99.08073	46.4
101.05984	0.8
103.03900	1.4
103.05442	0.8
105.07008	4.0
107.04884	0.7
107.08581	12.1
109.02847	2.5
109.06486	2.7
109.10133	16.2
110.06064	0.8
111.08036	2.1
113.05952	0.9
113.09606	1.0
115.03909	12.6
117.06971	1.0
118.81133	0.6
119.04913	1.0
119.08562	4.9
120.08066	1.9
121.06452	1.2
121.10107	6.7
123.04350	1.1
123.08042	0.7
123.11683	4.8
125.05924	0.9
125.09612	5.8
126.05428	0.9
127.03894	8.1
127.07520	0.7
129.10207	0.9
130.08600	2.3
131.04865	1.7
131.08565	1.3
131.50185	0.6
133.04944	9.2
133.10107	5.9
135.04323	0.8
135.08011	1.1
135.11659	11.3
136.07597	2.8
137.06009	3.5
137.09593	9.3
138.05519	0.7
143.08499	0.9
145.04945	8.8
145.10083	1.8
147.04420	1.4
147.08038	0.9
147.11661	2.0
149.02290	1.1
149.09625	0.8
149.13187	0.7
151.07556	1.0
151.11139	1.2
153.12665	0.9
154.04950	1.7
155.10635	16.6
157.10008	0.7
159.11681	1.9
160.03850	0.8
161.05894	0.8
161.09555	1.0
161.13158	1.0
163.03949	0.8
163.05966	1.5
163.07344	1.1
163.11116	1.6
165.09026	1.5
165.16376	1.4
167.05661	0.8
167.07027	2.5
173.13318	0.8
175.14796	3.9
176.03395	7.1
177.05443	1.9
177.12740	0.7
178.04945	12.8
179.10657	0.9
181.12126	1.7
183.09082	0.8
185.13266	0.8
186.09863	0.6
187.05910	0.9
187.14627	0.8
190.12894	0.9
193.04987	0.9
193.08345	0.6
193.15842	17.5
205.12251	1.4
211.08676	1.7
211.16888	100.0
212.17200	1.7
223.05922	1.1
223.13188	2.9
225.10213	1.2
229.09769	0.8
239.20015	1.2
241.07108	1.1
253.09784	3.5
259.08099	1.3
267.11102	1.1
271.10825	1.0
279.07614	0.9
295.10635	2.5
307.26318	0.9
313.11792	3.1
335.06540	0.9
337.19879	1.4
343.21167	1.0
355.21237	0.8
360.01706	0.7
373.13754	1.4
420.15628	0.8
428.12152	1.4
446.13419	1.1
470.13477	2.0
473.15475	1.0
488.14490	7.5
505.18082	9.1
505.25967	1.8
506.15298	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	504.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.3
56.05027	0.6
57.65489	0.3
58.06596	0.6
60.08157	6.4
62.71100	0.3
67.05489	0.9
69.07075	0.3
70.54239	0.7
71.07368	2.6
79.05487	0.6
81.07030	0.9
81.37027	0.3
84.04495	1.9
86.09695	27.3
87.10033	0.3
93.07054	0.6
95.08611	0.5
98.20870	0.4
98.98449	2.5
104.10716	2.9
104.29766	0.3
107.08562	0.5
113.22301	0.3
114.90734	0.3
119.08518	0.3
121.10151	0.4
124.99989	21.4
130.04968	0.9
130.08604	0.6
143.01064	0.3
151.88474	0.3
177.03111	0.3
184.07317	100.0
185.07666	0.5
186.56017	0.3
229.14418	0.3
258.10956	0.4
274.68402	0.2
332.26749	0.5
486.29550	1.1
504.30600	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	504.316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	12.4
56.79757	5.1
57.07065	10.0
59.97553	5.0
61.02902	7.9
66.06815	5.1
67.05492	62.9
69.07074	10.7
69.74607	32.6
71.04965	5.0
71.20103	4.3
72.08154	5.2
75.07805	4.5
76.69723	5.1
79.05482	54.7
81.07044	69.3
83.08627	12.5
84.08104	5.0
85.02883	12.4
85.06535	7.0
90.62411	5.0
91.05468	23.2
93.07026	70.8
95.04933	7.5
95.08589	51.6
97.06530	5.3
98.20837	10.2
105.07037	25.2
107.08583	42.3
109.10123	30.0
113.09623	8.9
117.06993	13.4
119.08566	65.0
121.10128	47.4
123.08108	6.0
123.11700	19.4
130.04982	5.2
131.08557	20.5
133.10120	19.9
135.08031	9.3
135.11668	62.7
137.09547	4.4
137.13261	6.8
145.10110	21.4
147.11662	13.6
149.13240	26.3
151.11089	5.8
159.11700	20.9
161.13229	7.7
163.11121	8.7
173.13242	16.8
184.07292	11.4
187.14767	6.5
189.16360	6.1
205.19347	9.4
215.17889	84.3
233.18958	100.0
307.22668	20.6
315.17941	5.3
325.23648	31.3
399.76163	6.3
469.28046	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	504.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35252	0.6
53.03939	0.8
55.01844	0.8
55.05494	1.7
56.05022	0.9
57.03422	1.4
59.04988	29.7
67.05490	1.8
68.05000	1.0
68.09354	0.6
69.03411	4.1
69.07064	1.0
70.06559	1.7
71.04977	1.4
72.08124	0.9
73.02893	1.0
73.06538	1.5
79.05472	1.7
81.07064	3.7
83.04966	2.0
84.04460	0.7
84.08139	1.5
85.02879	4.5
85.06506	0.8
86.03233	0.7
86.09692	1.7
87.04442	7.9
89.06012	100.0
91.05468	2.1
93.07018	3.9
95.04947	1.4
95.08595	3.1
97.02879	2.4
97.06487	1.4
99.04440	1.4
99.08088	3.3
101.06026	1.3
103.03926	1.2
103.05435	0.7
103.07561	3.1
105.06989	4.1
107.04897	0.9
107.07030	4.1
107.07687	0.6
107.07915	0.5
107.08571	3.2
109.02851	2.0
109.06472	0.9
109.10133	2.0
111.08098	0.9
115.03938	1.2
115.09037	0.7
117.07084	0.7
117.09107	2.3
119.04898	1.6
119.08544	1.9
120.02131	0.9
121.06497	1.3
121.10133	2.2
123.08031	0.8
125.09608	0.9
127.03912	2.5
130.04156	1.7
130.08609	3.4
131.04922	1.5
131.07019	2.2
131.08556	0.6
133.04935	1.0
133.08575	61.6
133.10001	3.1
134.10466	0.8
135.04366	0.8
135.08061	0.7
135.11703	1.4
137.05959	2.1
137.09576	0.9
139.13182	0.6
143.08632	0.6
145.04956	0.9
145.10123	2.1
147.04370	2.6
147.10156	0.9
147.11700	1.2
149.02362	1.2
149.09561	1.2
157.80183	0.8
159.07964	0.7
159.11670	1.2
161.06006	1.9
161.09531	1.1
161.11780	1.7
161.13232	0.9
162.06715	8.0
163.03882	5.7
167.07021	1.7
167.10677	1.0
173.09674	0.9
175.09715	1.0
175.11182	0.7
175.14825	2.1
177.05424	0.9
177.11198	25.8
179.10588	1.1
187.11127	1.4
191.03407	1.0
191.12726	1.0
193.15852	1.7
195.06458	0.6
197.11690	5.8
198.12006	4.4
205.12254	0.8
211.16911	4.1
215.10516	1.0
221.08006	0.7
221.13773	4.0
233.11690	0.8
235.15359	0.8
238.13237	0.6
239.14912	2.4
265.16562	1.2
283.17438	4.8
321.07520	2.0
324.06989	0.9
327.20120	5.7
341.10519	0.7
353.09918	3.2
364.39749	0.7
371.11276	1.0
371.22665	34.1
372.23267	0.7
429.26868	8.8
486.20056	0.7
487.30957	10.1
504.24341	0.9
504.33838	1.6
505.17453	2.0
531.74622	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.2
55.01870	1.2
55.05503	1.0
56.05013	0.5
57.03431	5.7
59.04990	100.0
60.05321	0.6
61.02913	1.6
63.76043	0.4
65.42738	0.5
67.05502	1.1
69.03414	4.3
69.07061	0.7
70.06578	9.5
71.01356	0.5
71.04986	2.1
71.53226	0.7
71.53620	0.7
72.08148	2.9
73.02908	1.9
74.06062	0.7
77.06010	0.7
77.16985	0.5
79.05486	1.4
81.03400	2.1
81.07038	1.7
82.06601	0.6
83.04964	1.2
84.04500	2.1
84.08128	5.2
84.60642	0.6
85.02888	8.8
85.06503	0.8
86.09692	5.3
87.00851	0.5
87.04450	2.5
87.10052	0.6
88.02232	1.0
88.03975	1.0
89.06016	32.8
91.05476	2.0
93.07027	2.1
94.06552	0.8
95.04945	1.4
95.08600	1.2
96.08125	0.5
97.02876	3.8
97.06522	0.7
98.05997	0.6
99.04433	1.0
99.08071	2.0
100.07589	0.7
101.02345	0.8
101.09631	1.0
102.05524	0.7
103.03922	1.8
103.05427	0.7
103.07544	2.8
105.07029	1.3
107.04950	1.0
107.07034	2.5
107.08591	1.7
109.02883	1.5
109.06506	0.6
109.10139	1.1
110.06045	0.5
110.07163	1.1
111.08073	0.9
113.05994	2.5
115.07541	0.9
116.07074	3.0
117.09113	30.3
119.04946	1.0
119.08551	1.2
119.94009	0.5
120.08114	1.3
121.06525	0.4
121.10116	1.4
122.06014	0.6
123.08083	0.9
124.07529	0.9
125.05988	0.7
127.03897	2.2
129.10228	1.5
130.04947	0.7
130.08621	2.3
131.04922	1.6
131.08585	0.6
133.04977	0.6
133.06438	0.7
133.08582	13.6
133.10089	1.4
134.02702	0.6
135.08089	0.7
135.10106	0.8
136.07564	1.4
137.02321	1.3
137.05949	6.8
137.06934	0.7
137.09705	0.6
139.07524	0.6
145.02820	0.7
145.04895	0.8
145.06483	0.8
145.10101	0.9
146.08063	0.6
147.04413	2.3
148.06082	0.6
149.02332	1.1
149.09598	0.7
151.07608	1.1
151.09628	21.5
153.05487	0.9
154.08636	0.6
159.08072	0.6
161.05965	1.7
161.11693	1.0
163.07469	1.1
165.09093	0.7
166.23433	0.5
167.07022	1.1
173.12973	0.5
175.07425	0.6
175.13286	14.0
175.14673	0.5
177.05444	1.4
177.11212	0.9
179.07024	2.0
181.04955	0.7
183.14926	0.6
185.12813	0.6
191.12796	5.1
191.14346	0.8
201.12430	0.8
203.07016	3.0
203.10698	0.5
203.14316	0.5
204.06624	0.5
209.13795	19.4
219.15857	0.5
244.12917	0.5
249.17047	0.6
267.17957	7.3
285.11285	0.6
297.11340	1.6
299.06033	0.5
301.11807	0.5
315.04922	0.6
325.22144	66.5
326.22571	2.4
330.12091	0.6
339.12238	1.1
354.09616	1.0
355.08035	6.6
356.08310	0.5
371.14932	0.7
372.10681	8.7
373.11008	1.2
383.15118	0.5
395.10019	0.5
420.71695	0.5
459.27655	0.5
470.96722	0.6
474.23007	0.8
486.18768	0.9
504.29105	1.9
505.17712	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	504.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.3
55.05501	1.8
57.03418	1.0
59.04993	15.5
60.04507	1.3
67.05479	1.8
67.88716	0.8
69.03407	3.2
69.07051	1.9
69.39940	1.7
69.40350	6.1
70.06590	6.4
71.04973	1.5
72.08126	2.7
72.27263	0.8
72.39129	0.8
73.02901	7.9
73.06537	3.5
74.06084	0.9
79.05493	1.5
81.03415	1.4
81.07035	2.8
82.06571	1.3
83.04966	1.3
84.04481	2.4
84.08111	4.3
85.02888	3.1
85.06512	0.9
86.09698	3.6
87.04454	33.6
88.03964	3.2
89.06016	100.0
90.06327	0.8
91.05439	4.2
93.07023	2.6
95.04942	2.6
95.08575	3.0
97.02853	2.3
97.06512	1.1
98.21454	1.6
99.04443	13.6
100.07635	0.8
102.05521	5.6
103.03925	93.1
103.07552	4.9
105.06997	3.1
107.04932	1.1
107.07049	3.7
107.08562	1.8
109.02888	1.3
109.06487	1.1
109.10087	1.1
110.07148	2.1
110.43280	0.8
111.04433	1.2
111.08024	1.1
116.07057	1.4
117.05473	26.7
117.06898	1.5
119.04908	2.0
119.08568	2.0
120.08072	3.0
121.06476	1.7
121.08608	2.5
121.10103	1.2
122.06000	1.1
123.08064	0.9
127.03902	1.6
130.08620	3.1
131.04895	1.0
131.07022	10.5
131.08557	1.7
133.08583	68.8
133.10135	2.8
134.10472	1.3
135.08037	1.1
137.05942	2.3
137.09558	1.1
145.02817	1.0
145.10100	3.9
147.04433	1.5
147.06502	9.8
147.10124	1.7
148.06012	6.9
149.02316	3.3
151.03873	1.2
151.07513	1.4
159.11632	1.4
160.07585	1.2
161.06009	5.5
161.08047	2.8
161.11691	1.4
163.03896	1.0
163.07561	1.1
163.09648	3.7
165.09030	1.1
167.07025	1.5
173.13174	1.6
175.07422	1.5
175.09694	6.8
175.73903	0.9
177.05484	1.5
177.11195	26.0
179.84488	0.9
181.08571	1.6
187.11244	1.7
191.09180	8.0
191.12692	1.7
191.14250	1.6
201.80774	1.0
203.07001	16.7
203.14317	0.9
205.10654	1.3
205.12288	1.1
207.06427	1.6
207.12215	5.7
215.10593	1.2
219.12186	1.1
221.13750	8.2
233.08063	1.5
235.11743	8.7
237.13393	1.4
239.14720	1.5
249.13271	1.7
265.08661	1.8
265.16339	1.4
279.14432	3.0
283.17325	2.7
293.15790	0.9
297.10916	1.2
297.15491	1.4
307.09756	1.1
309.19067	1.0
313.11765	1.5
315.12360	1.7
323.16904	2.1
327.12204	3.9
327.20074	3.1
339.12219	1.8
341.18304	1.0
353.21167	1.1
357.13361	1.5
371.22592	2.7
383.22824	4.2
385.20575	2.4
397.24078	1.9
411.22116	1.9
429.23239	22.9
441.26990	2.3
451.12396	1.0
469.26245	1.1
472.20999	1.1
487.27383	16.2
504.29669	3.1
505.18481	5.1
505.24374	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.8
55.01844	2.4
55.05508	6.9
56.05017	0.8
57.03400	0.9
57.07046	2.5
57.07433	0.7
59.04977	2.5
65.03917	1.3
65.13430	0.8
67.05490	14.0
67.97577	0.7
69.03415	5.0
69.07050	10.7
69.90633	4.7
70.06579	5.4
71.04958	2.8
72.08134	1.9
73.02881	0.9
79.05482	8.2
80.05811	1.0
81.03405	3.6
81.07039	24.7
82.07395	1.4
83.04955	1.9
83.08613	3.6
84.04478	2.0
84.08125	14.5
85.02893	9.1
85.06522	1.8
86.09672	3.7
87.00808	2.6
87.04430	1.7
88.02222	0.8
91.05460	10.4
93.07030	15.8
94.07364	2.6
95.04943	3.3
95.08587	33.0
96.08916	2.7
97.02865	4.9
97.06510	3.8
97.10166	1.4
99.04434	2.4
99.08067	1.0
101.05996	1.4
102.05509	0.9
103.05431	2.3
105.01841	2.7
105.07011	37.9
106.07331	1.9
107.08581	15.1
107.13300	0.9
107.73488	0.9
108.08901	1.7
109.02855	3.5
109.06490	2.1
109.10135	27.9
110.10465	1.5
111.04442	0.7
111.08067	1.1
113.62484	0.9
115.03874	0.8
117.07023	2.3
119.04904	2.2
119.08559	42.3
120.08088	1.1
121.06438	1.1
121.10117	11.4
122.03632	1.0
122.10444	1.2
123.08053	2.3
123.11678	33.2
124.12032	2.2
125.05914	1.1
125.09584	1.7
127.03902	6.8
129.00101	0.8
129.07014	1.2
130.08617	30.3
131.04881	2.2
131.08490	4.6
133.06473	1.7
133.10101	21.1
134.10512	0.8
135.07994	2.0
135.11691	3.8
137.05951	14.2
137.09596	2.1
137.13194	0.8
139.11139	1.7
141.08997	0.8
143.08516	1.7
145.04913	3.0
145.10095	6.4
145.65645	0.8
147.04367	5.5
147.11659	40.1
148.12033	1.2
149.02278	1.4
149.05949	1.1
149.09595	1.6
149.13260	1.1
151.03876	1.1
151.07535	2.2
151.11154	1.4
157.10104	1.4
159.11670	3.0
160.12280	1.1
161.05969	1.9
161.09595	1.1
161.13232	11.4
163.07495	2.3
163.11142	1.5
163.14760	1.7
165.12714	0.8
167.06995	3.4
167.08359	1.0
167.10683	1.1
171.11594	0.9
173.09561	1.9
173.13167	1.5
175.07478	1.7
175.11101	1.2
175.14755	2.1
177.05470	0.9
179.06932	1.3
180.11070	0.9
181.05000	1.0
187.07481	1.3
199.07259	0.7
203.07008	1.2
203.17911	100.0
204.18237	3.5
215.10526	1.0
221.15309	1.3
221.18822	4.1
231.04892	1.7
243.07230	0.7
249.08968	1.0
306.25003	1.7
324.26004	3.5
327.12607	0.9
357.13043	1.1
409.49710	0.9
452.32526	0.8
487.21094	1.0
504.18246	1.0
505.17804	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	504.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.8
55.05498	3.4
57.03415	0.6
57.07063	0.9
67.05490	5.4
67.51610	0.6
69.03400	1.9
69.07046	4.9
70.06557	2.3
71.04982	1.3
71.54551	1.1
72.08129	0.6
73.02902	0.8
75.67439	0.5
79.05488	3.9
81.03408	1.5
81.07039	11.1
82.06563	0.9
83.04957	1.2
83.08595	2.0
84.04488	0.8
84.08120	2.5
85.02892	3.6
85.06537	1.2
86.09672	1.8
87.00765	0.8
87.04440	1.0
89.05987	0.7
89.42083	0.6
91.05463	4.7
93.07025	7.3
94.07352	1.0
95.04958	3.0
95.07975	0.7
95.08587	14.6
96.08891	0.8
97.02879	1.8
97.06496	1.6
99.04401	1.1
99.08049	0.9
102.05529	0.7
103.05413	1.3
105.01855	1.7
105.07014	18.6
106.07310	1.4
107.04913	0.7
107.08572	5.8
109.06477	1.2
109.10138	16.6
110.07137	1.6
111.04382	0.7
113.78876	0.6
115.01353	0.6
117.07008	1.4
119.04927	0.6
119.08556	28.6
120.08119	1.0
121.06471	2.7
121.10102	5.7
123.04347	0.6
123.08043	0.9
123.10799	1.2
123.11685	17.5
125.05929	0.9
127.03891	3.1
127.11208	0.8
129.07008	0.6
130.08598	3.5
131.08560	1.3
133.02773	0.7
133.06470	2.1
133.10098	9.9
135.04446	0.7
135.11665	2.0
137.05928	2.3
137.09579	0.8
139.11124	0.7
143.08592	0.5
145.04922	1.6
145.10092	5.4
146.05972	0.6
147.04417	1.1
147.08061	0.8
147.11658	39.3
148.12003	0.6
149.05969	0.7
149.09621	0.8
149.13240	0.6
151.07578	0.6
153.05431	9.5
155.08495	0.7
159.08051	1.4
159.11684	3.1
161.09589	0.6
161.13222	3.6
163.11166	1.0
165.05405	1.0
167.07030	0.7
169.10043	0.7
172.08765	0.7
173.09601	7.7
175.14813	1.5
178.04979	1.4
187.11115	3.5
193.15855	0.8
203.07111	0.6
203.17915	100.0
204.18266	1.4
205.12213	1.4
215.10609	5.4
221.15497	0.7
221.18927	2.0
231.04945	1.8
233.11646	5.9
249.05962	0.6
284.09799	1.7
284.14191	0.6
306.24991	1.5
312.04813	0.7
324.26062	1.1
330.06158	1.3
337.12012	1.1
357.13535	0.7
362.08755	0.8
365.16052	0.8
459.39777	0.6
469.16556	0.6
504.27209	1.1
505.18243	1.3
529.46454	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	5.1
55.01857	6.9
55.05500	10.1
57.03411	3.7
57.07060	1.7
57.40973	1.1
58.99562	1.6
61.02884	1.6
61.26846	1.1
65.03914	1.4
67.05492	19.3
68.07942	1.2
68.99772	1.9
69.03419	18.0
69.07067	8.1
70.06567	1.9
70.73091	4.3
70.88994	1.3
71.04975	3.5
71.06908	1.1
73.02904	7.5
76.59107	1.3
79.05476	11.7
81.03410	17.5
81.07042	38.2
83.04958	1.6
83.08591	12.2
84.04482	2.1
84.08129	1.7
84.71051	1.2
85.02887	42.1
87.00816	17.0
88.02208	3.3
91.03925	1.9
91.05457	17.7
93.07022	30.4
95.04938	4.5
95.08589	46.5
97.02877	15.9
97.06508	3.5
97.10130	1.6
99.04451	8.4
105.01840	17.7
105.07012	37.6
107.07856	2.7
107.08576	44.6
109.02863	20.7
109.06500	1.9
109.10132	38.7
111.04414	1.5
115.05736	2.1
115.07544	5.5
116.01669	1.3
117.06968	1.9
119.08555	32.0
121.10114	18.4
123.11683	11.0
127.03894	34.7
129.01778	2.6
131.08521	3.0
133.10098	17.3
134.02672	3.3
135.11681	11.9
137.05942	1.8
141.57574	1.3
143.07181	1.4
143.08464	1.6
145.04962	13.3
145.06038	2.5
145.10103	2.9
147.02788	1.7
147.11661	36.4
149.13260	3.9
151.11119	2.6
159.02869	12.9
159.08215	1.9
159.11673	2.4
161.13208	13.0
162.02136	2.2
163.14845	6.5
175.14796	6.7
187.82579	1.4
197.15279	7.5
201.16379	1.4
203.17921	100.0
204.18147	2.3
205.19441	1.7
221.18983	5.6
231.04999	6.6
244.09993	3.0
313.25861	1.5
358.17120	1.7
375.19287	3.5
429.20459	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	504.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.0
53.03933	1.3
55.01854	1.4
55.05498	2.5
59.04972	1.3
61.02921	1.0
67.05481	3.5
69.03415	16.7
69.07049	4.2
70.06570	3.5
71.04979	3.3
71.53129	0.8
71.53603	1.8
79.05477	7.0
81.03417	1.2
81.07043	7.8
83.04953	2.5
84.04481	1.2
84.08133	3.0
85.02898	4.3
85.06512	1.6
86.09707	1.9
89.03898	1.1
89.06000	0.8
89.28900	0.9
91.05444	6.9
93.07012	6.4
95.04937	4.2
95.08596	5.2
97.02869	1.8
97.06513	3.9
99.04430	4.4
103.05430	1.9
105.01816	1.2
105.07011	63.1
107.04933	3.1
107.08578	6.7
109.02950	1.0
109.06490	3.1
109.10111	4.5
113.06006	0.9
115.05428	1.5
117.03354	3.0
117.06998	8.8
119.04937	1.7
119.08551	10.7
120.08096	1.1
121.06490	6.2
121.10108	3.6
123.08064	0.7
123.11687	2.6
125.05977	3.1
125.09633	1.0
127.03900	2.1
128.06152	1.3
129.06985	3.1
130.07745	3.6
130.08623	2.5
131.04904	2.6
131.08559	12.5
133.06461	11.8
133.10086	12.1
135.08060	1.8
135.11665	2.0
137.05952	2.4
137.09601	1.0
141.06953	2.3
143.06996	1.9
143.08533	5.5
144.09332	4.3
145.02806	7.2
145.06476	4.1
145.10095	88.9
146.10507	1.2
147.04318	1.2
147.07997	1.3
147.11665	6.6
149.05975	2.4
149.09625	0.9
149.13197	0.8
151.07483	1.1
154.07750	2.4
155.08508	3.2
157.07553	1.4
157.10104	1.9
158.07220	7.2
159.08046	5.3
159.11659	35.6
160.12019	0.9
161.05949	1.0
161.09589	11.8
161.13225	2.0
163.07518	2.0
163.11168	1.8
167.07065	1.0
169.10112	5.5
171.11655	1.3
172.08800	1.6
173.09599	42.8
175.11188	0.8
177.05443	11.5
179.07025	1.4
179.08507	1.0
182.07376	1.0
187.11154	28.1
189.12743	4.0
191.10658	2.2
197.09608	5.0
203.17906	14.9
205.12202	100.0
206.12601	1.1
215.10634	95.0
216.11043	1.1
221.15382	1.5
221.18958	3.1
233.11668	38.9
251.12738	5.3
299.15909	1.4
309.13330	2.4
319.11642	5.2
337.12766	11.8
352.19034	0.9
355.13840	2.3
449.33408	0.9
469.17062	1.4
504.23987	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.7
55.01857	4.6
55.05497	4.3
56.05030	1.7
57.03414	1.7
59.31873	1.0
61.02924	1.2
65.03913	1.9
67.05486	4.7
69.03416	8.9
69.07059	6.7
70.06564	3.1
71.04974	4.6
72.08141	1.3
79.05479	10.7
81.03388	1.7
81.07039	12.1
83.04948	5.3
83.08612	1.5
84.04487	1.9
84.08141	7.1
85.02893	7.3
85.06536	2.7
86.09676	2.8
87.00806	1.0
87.04470	1.0
88.02190	3.5
91.05455	9.5
93.07030	13.0
95.04951	6.2
95.08591	7.3
97.02863	2.7
97.06503	10.8
98.21523	2.4
99.04435	5.4
99.08114	1.2
101.05988	1.3
102.05544	1.1
103.05451	2.2
105.01851	1.8
105.07012	45.3
107.04942	7.1
107.08564	8.1
109.02875	0.9
109.06504	3.6
109.10141	6.0
110.07131	2.8
111.08064	1.2
113.05997	1.0
115.05482	2.4
117.07000	7.7
119.04904	2.3
119.08561	8.3
121.06481	31.9
121.10118	4.8
122.10474	1.3
123.04417	1.5
123.11700	2.9
124.07495	1.1
125.05977	7.5
125.09647	1.6
127.03918	2.5
128.06192	2.0
129.06978	4.2
130.07765	4.3
130.08626	8.9
131.04910	2.3
131.08551	12.1
133.06464	21.9
133.10120	5.8
134.02678	4.8
135.04401	1.9
135.08034	3.6
135.11682	2.0
136.03952	1.4
137.05936	3.1
137.09578	1.3
139.07532	1.3
141.06978	4.6
143.07025	8.9
143.08571	6.1
144.09320	2.9
145.05316	1.2
145.06439	9.8
145.10098	54.5
147.04344	1.3
147.08052	2.5
147.11653	4.4
149.05910	1.1
149.09648	1.2
149.13235	1.2
151.07472	1.7
153.06866	1.2
153.09084	1.7
154.07742	3.8
154.09184	1.0
155.08569	8.0
157.06432	1.2
157.10083	1.5
158.07239	16.0
159.08037	13.4
159.11659	23.7
161.09564	4.6
161.13239	1.4
163.07431	1.0
163.11188	1.7
169.10101	11.1
171.08015	2.3
171.11693	1.7
172.08778	5.6
173.09590	100.0
175.14734	1.8
179.08569	3.9
182.07237	2.3
187.11142	40.9
189.12634	2.8
191.10660	4.9
197.09570	10.9
201.16272	1.4
203.17973	3.7
205.12180	23.5
205.13980	1.8
211.16823	4.6
215.10631	78.7
216.10902	1.6
219.17574	0.9
221.15353	1.6
221.18906	1.6
233.11684	72.4
234.12161	1.2
251.12764	9.7
277.09653	1.0
306.25006	2.5
319.11850	1.4
323.25821	1.7
324.25949	6.1
337.12729	10.6
355.14011	8.1
365.15491	1.1
378.22577	1.0
382.27148	1.0
414.30325	1.0
442.17294	2.7
460.18915	1.4
469.16953	2.1
472.14795	2.1
485.31796	1.2
486.31403	2.4
504.18777	1.3
504.26892	4.0
505.18317	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	503.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
55.01859	1.0
55.05494	1.2
57.03417	0.9
59.04982	1.0
62.12498	0.4
62.22830	0.3
67.05492	1.6
68.05021	0.4
69.03419	2.0
69.07062	1.1
69.46596	2.2
69.47026	1.2
70.06578	4.8
71.04980	1.3
72.08145	1.4
73.02917	1.4
73.06548	1.9
74.06081	0.4
76.81877	0.3
78.65716	0.4
78.69582	0.4
79.05479	1.7
81.03434	0.9
81.07041	2.6
83.04947	0.6
83.08574	0.5
84.04479	1.0
84.08134	3.2
84.84820	0.4
85.02897	3.5
85.06532	1.4
86.06041	0.5
86.09691	2.7
87.04453	10.0
89.06013	100.0
90.06355	0.6
91.05462	1.6
91.07574	0.6
92.53367	0.3
93.07040	2.6
95.04940	1.8
95.08585	1.3
97.02883	1.3
97.06492	0.6
97.10202	0.4
98.09656	0.5
98.20759	0.6
99.04440	0.8
99.86837	0.5
105.07014	1.5
107.04941	0.8
107.07038	2.6
107.08582	1.7
109.02851	1.2
109.06528	0.9
109.10123	1.1
110.07152	0.5
111.04467	0.6
111.08134	0.5
116.07063	1.4
117.05471	0.4
117.06941	0.4
117.09093	0.9
117.33629	0.3
119.08563	1.3
120.08054	0.6
121.06482	0.8
121.10117	1.1
123.08060	0.7
124.07571	0.9
125.05959	0.4
125.09577	0.6
127.03900	1.7
130.06543	0.6
130.08643	2.7
131.07034	3.0
131.08536	0.8
133.08577	59.5
134.08922	0.5
135.08034	0.9
135.11674	0.5
136.07587	0.7
137.05988	2.2
137.09546	0.4
139.11189	0.5
143.08548	0.5
145.02884	0.6
145.04881	0.4
145.07573	1.0
145.10095	1.1
147.04356	2.1
147.08002	0.5
147.11649	0.5
147.77820	0.4
149.02301	1.4
149.05977	0.6
149.09645	0.7
151.07437	0.4
151.09586	0.5
153.06966	0.3
154.08549	0.6
159.11635	0.7
161.05930	0.9
163.11218	0.4
163.14671	0.5
167.05458	0.5
167.06982	0.5
167.10556	0.6
172.09726	0.5
173.13168	0.8
175.09633	1.7
177.05472	0.8
177.11180	17.2
178.04909	0.5
179.06897	0.5
181.04926	0.9
184.16957	2.2
187.11122	0.4
189.12582	0.5
191.14275	0.5
203.06929	0.9
206.51137	0.4
209.15230	0.7
215.13901	0.4
217.08508	0.5
221.08046	0.7
221.13744	1.9
252.83206	0.4
283.09637	0.6
283.17453	1.1
322.85602	0.4
341.27847	1.5
433.14459	0.4
459.28033	0.5
503.20361	1.9
503.30542	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	503.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.6
55.05502	9.6
57.03429	3.4
57.07065	4.0
61.98308	1.3
67.05502	14.3
69.07059	9.4
69.32681	1.3
70.56597	1.4
71.04951	2.2
71.08614	5.7
75.04469	1.9
79.05478	10.2
81.07046	18.6
83.04973	2.4
83.08597	6.3
83.35101	1.5
85.06525	2.2
91.05450	7.9
93.07030	9.7
95.04962	1.5
95.08595	15.2
97.06506	4.3
97.10140	1.4
98.98454	67.1
99.08081	4.0
105.07004	9.6
107.08569	13.2
109.06508	15.8
109.10119	6.7
112.99957	1.6
116.99509	1.9
117.07034	3.8
119.08559	11.0
121.10096	7.4
123.08043	30.1
123.11691	3.5
131.08569	3.9
133.10100	8.7
135.08055	18.5
135.11656	4.8
137.09547	2.1
143.08556	1.7
145.10104	6.3
147.11659	5.3
149.09616	4.9
149.13213	3.2
159.11694	5.2
161.13261	3.6
163.11180	1.7
165.12720	2.7
167.14268	3.3
173.02092	13.7
175.14766	7.7
177.12752	6.6
179.14281	45.6
191.14285	3.0
193.12183	2.8
193.15918	2.2
205.15805	7.6
232.75002	1.4
233.19025	2.0
244.42548	1.5
247.20515	2.4
258.53683	1.6
263.20062	2.0
275.20050	5.2
289.21576	6.2
293.21045	2.5
303.26849	6.4
331.26266	100.0
332.26828	2.9
347.25696	1.8
349.27386	15.7
361.27420	1.6
387.28842	4.5
405.29950	64.7
423.30643	3.4
430.05817	1.5
485.26163	3.6
503.27603	42.0
524.63538	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	503.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35141	1.2
55.01848	3.3
55.05505	7.0
57.03416	3.5
57.07050	4.3
64.92323	1.0
66.62309	1.3
67.05491	14.4
69.03404	1.5
69.07055	9.9
69.96042	4.3
69.96456	2.3
71.04969	1.8
71.08614	6.3
79.05481	7.8
81.07042	18.5
83.04964	2.7
83.08581	5.0
84.08126	2.3
85.06500	2.0
91.05424	6.3
93.07029	11.5
95.04935	2.7
95.08590	17.6
97.06502	3.2
98.98450	66.7
99.08073	2.9
105.07010	9.2
107.08583	14.7
109.06491	14.7
109.10125	6.4
116.99480	2.3
117.06990	1.3
119.08563	10.4
121.06447	2.3
121.10136	7.0
123.07169	2.2
123.08046	28.1
123.11681	2.8
125.09678	1.6
131.08527	4.0
133.10123	9.3
135.08041	17.7
135.11700	2.0
137.09567	3.3
145.10117	4.6
147.11679	6.1
149.09569	4.8
149.13208	2.7
159.11644	5.0
161.09561	1.6
161.13185	2.2
163.11162	1.8
165.12685	1.4
167.05518	1.6
167.14258	1.9
173.02075	8.6
173.13264	1.3
175.14827	5.1
177.12703	7.4
179.14273	46.0
187.14709	1.5
191.14279	3.4
193.12250	1.7
193.15811	2.8
202.87828	1.4
205.15823	9.2
206.05734	1.4
212.16338	1.1
219.17226	1.7
235.22554	1.3
247.20544	2.7
263.20053	3.3
275.20032	4.9
289.21515	5.4
293.21008	2.8
303.26743	8.7
313.25198	2.0
319.22641	1.9
331.26257	100.0
332.26660	2.8
347.25775	2.1
349.27261	14.3
375.28662	1.3
387.28943	5.8
405.29932	61.6
406.30234	1.9
423.30984	2.4
485.26605	3.5
503.27521	44.3
504.27805	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	503.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.3
55.01844	1.9
57.03429	3.4
61.02921	2.9
69.03416	17.4
70.06573	3.1
71.01327	0.7
71.04990	4.7
71.06894	0.5
71.52583	0.8
72.08132	1.6
73.02899	1.9
79.92277	0.4
81.03403	18.3
81.07043	0.5
83.01270	0.7
84.08126	1.6
85.02892	18.9
85.06547	0.6
86.09669	1.5
87.04441	1.5
91.03918	1.0
91.05470	0.8
93.07018	0.6
97.02873	6.2
99.00812	0.6
99.04439	7.3
107.04881	0.7
109.02843	2.2
109.06454	0.5
110.07149	1.1
110.89165	0.4
117.05476	1.5
119.04888	1.0
121.10108	1.0
127.03895	4.5
130.08592	0.8
133.07619	2.4
135.09134	0.5
136.07524	0.5
137.05948	1.3
145.02849	0.8
145.04953	3.2
146.08061	0.8
147.04419	1.6
149.09581	4.2
153.05421	0.8
160.07494	0.7
161.07056	5.7
163.08580	4.3
167.10666	0.8
168.72896	0.5
177.05431	1.4
178.07428	0.5
179.08203	0.8
189.06575	4.5
191.08118	5.5
191.14284	1.0
206.06880	0.6
207.07611	90.5
208.07950	1.1
219.07681	0.8
219.13792	0.6
221.15547	0.5
231.07558	0.7
237.14781	0.7
238.59721	0.5
249.08673	1.6
259.10657	0.7
261.08679	0.7
271.33304	0.5
287.10129	0.8
305.11243	1.3
323.12308	29.7
341.13364	100.0
342.13724	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87029	1.6
53.03937	3.1
55.05499	13.7
57.03418	4.6
57.07053	3.2
57.44533	1.6
58.49243	1.5
65.03929	2.5
67.05492	84.7
68.89583	1.6
69.03416	12.0
69.07060	18.0
70.15039	8.0
71.04971	3.6
73.02911	2.2
77.61750	1.7
79.05475	29.0
81.03407	10.6
81.07040	100.0
83.04989	3.5
83.08589	8.2
85.02896	20.1
85.06528	2.7
91.05458	17.4
91.34090	1.7
93.07025	45.9
95.04937	4.6
95.08590	80.7
97.02874	9.7
97.06511	4.7
97.10149	3.5
99.04444	3.5
99.08034	3.8
103.05382	1.6
105.07014	16.0
107.08565	23.7
109.02851	5.0
109.06457	2.0
109.10139	51.9
111.08087	2.4
111.11631	1.8
115.03915	1.7
117.07000	7.7
119.08570	16.2
121.10121	26.6
123.08061	1.9
123.11685	27.7
127.03912	5.9
129.06955	1.5
131.08548	18.5
133.10121	13.3
135.11659	21.6
137.09589	3.8
137.13222	10.4
139.11168	2.2
143.08536	3.4
145.04927	2.5
145.10074	15.2
147.11621	12.9
149.09569	3.3
149.13217	13.6
151.11197	3.9
151.14783	3.4
159.11658	12.0
161.13252	10.6
163.11166	2.1
163.14789	7.5
165.12721	4.5
173.13200	14.6
175.14771	4.2
177.12718	2.2
177.16345	5.3
179.14276	3.6
185.13283	2.0
187.14737	8.3
191.14227	3.2
201.16322	3.9
205.15831	2.6
219.17549	1.7
229.35051	1.6
243.21030	24.5
261.22092	58.2
285.22290	2.3
303.23206	3.6
305.24722	2.0
323.25760	47.4
341.24725	2.5
351.23083	2.3
369.24121	5.4
387.25150	6.1
405.26233	7.3
407.59772	2.0
423.26794	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	502.409
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96889	1.1
55.05503	7.9
57.03423	11.8
57.06785	2.2
57.07065	30.6
65.03902	1.9
67.05489	70.0
69.07050	6.3
71.04978	3.0
71.08617	21.6
71.46437	1.3
71.46759	1.5
79.05476	2.7
81.07037	20.3
83.08600	11.4
85.06514	2.6
85.10159	13.7
89.06008	3.3
91.05403	2.7
91.05870	1.6
93.07019	3.3
95.08585	15.1
95.71036	1.2
97.10132	3.5
107.08566	2.0
109.10133	76.0
111.08025	2.0
118.12695	1.3
119.08536	4.9
123.11646	2.6
137.09583	3.5
155.10623	4.9
167.05481	3.6
173.11713	21.1
183.68861	1.1
229.14302	100.0
239.09424	2.2
239.23659	2.1
255.32246	1.3
299.06042	3.7
313.27295	96.7
314.27716	2.4
344.97302	1.5
467.37244	59.3
468.37469	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	502.3
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.5
53.94056	3.2
55.01596	5.0
55.01865	100.0
55.05508	23.7
57.03423	12.0
57.07057	9.3
59.04976	7.5
67.05496	87.3
69.07056	18.5
71.04970	12.0
71.08606	7.9
71.11060	3.2
71.26438	4.9
79.05485	39.6
81.06586	6.5
81.07040	96.0
83.01338	4.3
83.08611	17.6
84.08119	16.1
85.02895	3.5
85.10162	3.6
87.04458	7.1
88.07601	7.3
88.83669	3.2
89.05985	4.3
91.05436	25.2
93.07030	56.3
95.01304	6.6
95.04948	7.3
95.08592	76.8
97.10152	7.6
98.98439	4.9
99.04427	8.7
102.09170	5.9
105.07020	21.1
107.08591	38.7
109.10133	38.5
111.00805	22.1
115.03844	6.6
115.90488	3.7
117.07011	14.6
119.08572	22.5
121.10128	32.6
123.08070	4.2
123.11680	24.9
124.18163	3.8
130.08629	28.6
131.08543	18.1
133.10121	17.4
135.11665	22.5
143.03391	33.9
143.08521	5.4
145.10100	15.2
147.11668	13.4
149.13217	10.1
155.03395	12.4
159.11708	16.7
161.13193	11.7
163.14781	6.4
171.02866	71.2
173.04404	3.4
173.13254	14.7
175.14746	6.4
177.16418	4.7
179.14323	6.1
179.75357	3.3
187.14740	8.8
189.03978	9.4
195.00229	28.3
200.20103	12.7
243.21094	22.9
259.20581	6.7
261.22052	54.1
275.20099	7.6
277.21426	9.6
279.23267	21.1
294.95956	3.8
295.65265	3.9
313.27011	9.8
353.21088	5.9
374.73068	3.7
381.20609	4.6
399.21625	9.1
413.23456	4.8
417.22488	5.2
431.24258	7.7
449.25281	47.0
467.26465	37.9
502.29358	6.1
502.37201	13.2
505.29791	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	502.2991
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87920	4.2
53.03920	5.8
55.01855	17.9
55.05502	31.8
57.03415	10.9
57.07063	37.7
65.03936	4.2
67.05494	90.5
68.05832	4.3
69.03423	4.3
69.07066	27.5
70.84603	7.6
70.84943	5.1
71.04972	9.5
71.08272	6.1
71.08620	65.9
73.02890	4.3
73.44680	3.7
77.93212	3.8
79.05479	65.4
81.07037	91.0
82.07403	4.8
83.01331	9.7
83.05014	4.1
83.08585	17.4
85.10158	32.0
87.04441	9.6
89.05476	6.9
89.06010	100.0
91.05460	40.3
93.07024	86.8
95.04967	12.0
95.08030	7.1
95.08584	71.3
96.08941	6.0
96.36726	3.3
97.06540	7.7
97.10182	8.6
101.02351	5.9
105.06975	21.3
107.04994	5.0
107.08557	37.8
109.06511	5.1
109.10139	38.3
111.00748	7.1
115.03899	7.9
117.07005	13.0
119.08556	24.6
121.06483	47.4
121.10114	40.9
122.10410	4.2
123.11670	17.6
129.01831	8.0
131.08522	23.2
133.08578	59.1
133.10112	13.6
135.08012	4.9
135.11642	34.8
137.13220	4.7
143.03403	11.5
145.10066	13.6
147.08008	10.6
147.11667	11.6
149.13205	19.8
155.03423	5.1
156.26257	4.5
157.01271	4.6
159.11687	9.1
161.04408	5.8
161.13243	6.5
163.14809	12.1
165.09050	21.3
171.02887	8.6
173.13243	11.2
175.14787	4.9
177.11201	17.5
177.12579	4.8
187.14754	9.2
189.03903	15.4
209.11716	10.7
221.13768	7.3
224.17555	3.9
243.21083	19.9
247.20586	18.7
261.22083	78.5
271.15167	5.2
279.23215	6.1
291.23193	26.8
313.27222	19.6
318.28561	5.0
335.25790	4.8
338.82767	4.4
359.20599	61.8
371.31509	5.4
372.31903	13.1
410.33575	9.0
428.34137	8.2
449.25244	82.2
467.26334	43.1
485.34622	48.5
502.38678	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	502.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.5
55.01862	2.4
57.03413	3.4
58.10508	1.2
59.58890	0.7
61.02921	3.9
69.03417	11.4
70.06569	4.7
70.31745	3.4
71.04971	1.6
72.08129	1.1
73.02902	1.2
73.62628	0.7
78.05421	0.8
81.03387	5.3
82.07391	1.0
83.01303	0.8
84.08122	2.3
85.02888	42.8
86.09700	1.5
87.04447	1.2
91.03910	1.8
91.05436	1.6
97.02872	15.1
99.04417	2.5
104.62517	0.9
105.03345	1.3
105.06992	1.7
107.04942	7.1
109.02855	5.3
116.07035	0.9
119.04899	3.7
123.04395	2.1
127.03880	10.6
131.04916	5.9
133.02806	6.3
133.06459	9.8
135.04376	2.2
145.04932	12.5
145.06255	1.2
145.06445	1.2
146.08073	2.1
147.04382	21.2
149.05943	5.9
159.04378	4.2
161.02316	7.8
161.05927	15.4
165.05435	2.3
171.04382	3.6
173.05931	1.8
173.39549	0.9
177.05402	3.0
178.04953	10.8
179.03333	4.6
180.08650	4.5
187.03854	10.9
189.05428	34.0
196.09604	1.2
199.03841	8.6
205.04916	3.2
217.04922	51.6
235.05891	1.8
245.04393	1.3
259.05960	1.5
263.05447	100.0
305.06421	6.2
323.07538	91.4
340.10147	9.5
341.08606	4.6
364.10306	1.6
502.15283	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	502.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	0.8
55.93082	0.2
57.03422	0.2
58.99575	0.3
59.04978	1.2
67.05484	0.6
69.03410	1.1
69.07036	1.0
70.06570	0.9
70.81112	0.6
70.81488	0.5
71.04965	0.4
72.08139	0.4
72.82822	0.2
79.05455	0.4
81.03397	0.5
81.07042	1.8
83.08599	0.5
84.04491	0.3
84.08144	1.6
85.02870	1.0
85.06504	0.3
86.09693	9.8
87.04463	2.4
88.02266	0.3
89.06007	0.4
91.05441	1.3
93.07036	1.5
95.04933	0.6
95.08607	1.8
96.08945	0.4
97.02877	0.7
97.06512	0.4
100.07603	0.5
100.11215	1.0
105.07008	1.7
106.07336	0.5
107.04934	0.4
107.08561	1.2
109.06474	0.4
109.10134	0.9
111.04475	0.3
111.08058	0.5
115.05382	0.4
116.07101	0.3
117.07009	1.0
118.06525	3.3
119.08540	1.4
120.08034	0.6
121.06481	0.4
121.10102	1.3
123.11710	0.4
127.03883	0.5
128.07050	0.3
130.06500	25.7
130.08534	1.4
131.08549	0.7
132.06799	0.8
132.08052	1.0
133.08638	0.4
133.10103	1.2
134.10442	0.3
135.08028	0.6
135.11652	0.3
137.05916	0.8
142.06520	0.6
143.07153	0.5
143.08485	0.4
144.08044	2.2
145.04942	0.3
145.10100	1.5
146.05986	12.6
146.10428	0.3
147.04424	0.5
147.07967	0.4
147.11644	0.7
149.09663	0.4
149.13181	0.5
157.07582	100.0
158.07916	2.0
159.08006	0.5
159.09128	1.7
159.11591	0.5
160.07510	0.3
161.09560	0.6
170.06012	1.3
171.11719	0.3
173.13246	1.2
182.15355	0.7
185.07042	2.5
187.14638	0.3
188.07036	31.2
189.07253	0.5
193.04967	0.7
205.09689	10.7
219.17317	0.3
269.10568	0.4
270.15967	28.0
271.16211	0.6
298.15445	75.0
299.15833	2.0
443.91971	0.3
502.24200	0.5
503.25137	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	3.0
55.01853	2.3
55.05499	38.2
57.03423	22.0
57.06788	1.9
57.07063	35.8
58.80618	1.6
59.04981	1.7
59.61432	1.7
67.05492	48.9
69.07056	56.4
71.04967	2.2
71.08619	27.4
74.12014	1.3
75.04458	4.5
79.05481	20.0
81.07038	64.6
83.04949	3.3
83.08603	42.8
83.31141	1.3
85.02885	1.7
85.06534	3.3
85.10171	12.4
89.05997	1.5
91.05461	6.0
93.07026	30.6
95.04964	1.6
95.08588	62.6
97.06518	10.7
97.10151	26.9
99.08088	3.4
99.11674	1.5
99.75466	1.5
101.06026	1.7
105.07004	5.5
107.08574	19.5
109.10132	29.1
111.08075	7.9
111.11670	9.3
113.06031	3.1
113.09551	2.2
115.07568	3.4
117.07005	2.3
119.08537	3.0
121.09312	2.6
121.10120	28.4
123.11683	15.9
125.09592	8.2
125.13249	2.2
129.09091	1.7
131.07045	2.2
131.08472	2.4
133.10086	2.8
135.11664	24.3
137.13239	7.8
139.11169	7.0
145.10095	2.6
149.13235	11.9
151.14828	2.7
153.12732	3.4
157.12271	1.7
161.13092	1.8
163.14761	7.9
167.14293	3.5
173.13219	2.5
177.16380	4.7
191.17905	2.0
195.17407	1.6
199.16844	2.1
205.19591	1.8
209.18968	2.0
235.20714	1.6
237.22209	1.7
256.76785	1.5
283.20422	1.4
289.28925	6.0
301.21786	1.5
307.29892	11.4
317.28329	7.8
325.31061	2.0
335.29388	21.4
353.30539	3.8
371.31488	93.1
372.32001	3.6
409.33069	49.0
410.33432	2.8
427.34128	64.5
428.34406	3.7
432.50558	1.4
483.36716	24.4
501.37769	100.0
502.38004	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	501.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02065	1.0
53.03933	2.0
54.48389	1.1
55.01851	2.6
55.05502	42.5
56.33936	1.0
57.03432	24.2
57.06797	2.4
57.07068	42.3
65.03931	1.8
67.05495	52.4
69.07059	62.8
69.44726	1.0
69.45014	9.5
69.96080	1.1
71.04987	2.4
71.08624	25.8
73.06546	2.1
74.61012	0.9
75.04472	5.4
77.00838	1.1
79.05482	19.4
79.22861	1.0
81.07043	66.2
83.04968	3.2
83.08604	45.6
85.06525	5.0
85.10177	14.3
88.61545	1.1
89.06045	2.0
91.05478	3.3
92.86475	1.1
93.06476	2.1
93.07031	30.8
95.04941	1.6
95.08595	75.1
97.06516	14.2
97.10153	37.0
98.49278	1.0
99.08073	2.9
99.11697	1.6
101.05994	2.0
105.06976	2.1
107.08570	21.2
109.10142	30.5
111.08084	8.4
111.11702	10.7
113.05978	2.2
115.07555	3.0
119.08588	1.7
121.10130	29.4
123.11697	12.7
125.09626	7.2
125.13196	2.6
129.09106	3.0
131.07008	3.4
131.08549	2.1
133.10071	1.9
135.11679	25.3
137.13216	6.1
139.11154	6.7
143.10645	3.0
146.10274	1.2
149.13239	13.2
151.14793	2.4
153.12720	4.6
157.12267	1.8
161.13177	1.6
163.14793	7.8
167.14314	4.8
169.12222	1.1
171.13773	2.0
177.16322	5.5
181.15848	3.0
188.20120	1.0
191.18039	2.8
195.17404	2.0
199.16850	2.0
205.19443	2.7
209.18991	2.6
219.21085	1.8
221.18866	1.5
223.20499	2.9
227.20044	1.7
235.20506	1.8
237.22314	1.5
251.23654	1.5
269.24762	1.6
289.28918	5.3
299.27014	1.4
307.29861	13.1
317.28262	10.7
335.29370	26.2
349.87885	1.2
353.30487	3.4
371.31522	89.7
372.31747	2.1
409.33075	57.9
410.33334	2.4
427.34155	69.8
428.34253	2.7
483.36710	23.2
501.37790	100.0
502.38052	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	501.3775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.8
55.01856	2.7
55.05497	50.0
57.03191	2.0
57.03430	31.3
57.07067	51.0
63.24788	1.6
63.50799	1.7
67.05489	58.7
67.64874	2.2
68.42593	2.2
69.07051	73.6
70.46724	7.0
71.04984	4.5
71.08614	33.2
75.04468	8.8
79.05475	22.7
81.07039	82.1
83.04950	4.0
83.08130	3.7
83.08602	57.2
85.06494	3.1
85.10162	17.3
91.05451	5.9
93.07029	30.5
95.08583	75.3
97.06515	15.9
97.10138	36.9
101.05930	2.1
105.07017	2.4
107.08574	24.2
109.10140	41.2
111.08069	10.4
111.11705	12.4
113.05959	3.4
115.07586	2.4
119.08580	2.4
121.10120	36.6
123.11690	15.3
125.09587	9.4
125.13258	5.9
129.09097	2.6
131.07018	5.2
132.50844	2.1
133.10091	2.7
135.11661	25.4
137.13222	7.2
139.11136	9.0
143.10588	2.8
149.13203	14.0
153.12732	8.1
157.12178	3.2
163.14825	8.5
167.14249	5.5
171.13792	3.7
177.16273	4.8
181.15761	3.4
184.72414	1.9
185.15378	5.0
191.17886	4.1
195.17479	2.9
196.09149	1.9
209.18982	2.5
219.21060	2.6
223.20352	2.5
251.23653	2.1
289.28906	5.9
307.29846	13.7
312.39957	2.0
317.28336	11.5
330.16968	2.4
335.29343	28.1
353.30594	4.7
371.31461	100.0
409.33026	49.4
427.34100	70.7
483.36642	44.4
501.37762	80.2
501.45212	3.7
502.38028	2.8
517.13043	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	500.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00535	1.4
51.42155	1.1
51.55202	1.4
55.01865	20.0
55.05496	3.5
56.05063	1.5
58.06141	1.2
59.04994	1.2
67.05498	10.3
68.05007	1.8
69.07054	10.5
69.24100	3.8
69.24511	12.3
70.02946	4.4
70.06590	10.7
71.04983	21.2
71.08604	2.1
71.12836	1.2
79.05470	8.6
81.07051	6.4
83.04943	1.7
84.08117	1.9
84.12061	1.3
86.06062	1.9
89.06008	1.8
91.05467	5.3
93.07030	4.8
94.06554	2.8
95.08590	4.9
96.08121	5.8
97.06520	21.1
98.09682	12.9
105.06990	2.6
106.06533	4.8
107.08572	2.5
108.08086	7.1
109.10159	6.5
109.74150	1.3
120.08055	3.7
121.10152	2.5
122.06004	20.6
124.07575	37.6
124.11239	2.0
134.09628	2.2
135.07990	1.5
136.06514	3.3
136.07559	66.4
140.07043	29.7
147.06927	1.3
148.07570	4.7
148.11186	2.2
152.10629	1.6
153.07813	3.5
176.14339	4.7
194.15381	6.2
198.42232	1.5
204.13811	13.7
217.43065	1.6
222.14868	100.0
229.14368	4.3
240.15883	3.2
244.22653	1.5
311.25772	4.4
318.41919	1.5
465.35626	2.9
466.72803	1.7
482.36258	86.9
500.21585	3.3
500.46674	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	500.4091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78503	13.4
55.05484	41.1
55.68165	14.2
57.07051	42.4
59.04981	20.3
67.05475	49.3
69.07046	25.7
70.12371	50.0
71.08626	41.4
79.05474	32.9
81.07040	100.0
87.04424	29.0
91.05460	37.2
93.07037	72.0
95.08597	88.4
98.20757	18.1
105.07017	62.3
107.08578	86.3
109.06495	17.1
109.10143	55.3
110.73341	16.9
114.59292	13.4
114.89844	14.0
117.07036	22.7
119.08570	90.0
121.10120	83.3
123.11659	24.7
127.31194	13.7
131.08470	23.2
133.08673	14.1
133.10088	83.6
135.11679	27.0
139.59052	13.6
145.10083	22.9
147.11630	39.6
149.13223	46.9
153.82695	14.1
159.11642	41.9
161.13136	34.7
163.14807	20.2
169.42117	13.4
173.13281	30.3
188.62471	14.9
189.16298	16.4
215.17845	18.2
217.19460	23.8
283.26315	95.9
325.16531	18.5
416.64133	16.9
500.46237	68.8
501.37122	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.5
55.01857	4.2
55.05502	10.0
57.03425	4.4
57.07060	8.2
59.04990	5.5
67.05489	20.9
69.03417	14.9
69.07050	16.3
70.06577	8.4
70.90210	5.0
71.04978	9.7
72.08136	5.3
79.05491	12.8
81.03389	6.0
81.05782	2.5
81.07036	24.6
83.04980	14.1
83.08601	6.3
84.04458	4.2
84.08121	12.1
85.02871	18.4
85.06535	3.2
86.09683	7.8
87.04472	3.3
89.06024	6.3
91.05466	30.3
93.07030	31.7
93.08247	2.0
95.04957	7.0
95.08588	58.1
97.02890	11.7
97.06505	7.2
97.10124	2.9
99.04424	4.4
99.08081	2.5
103.03927	18.1
103.05443	5.2
105.07011	31.0
107.04918	3.1
107.08569	33.4
109.02855	4.8
109.06506	8.9
109.10134	32.4
111.04462	3.2
111.08064	18.3
115.05474	2.4
117.06995	7.1
119.04965	2.7
119.08562	70.0
121.05735	2.2
121.06490	8.4
121.10126	31.1
122.02724	5.1
123.04384	3.3
123.08050	6.6
123.11674	4.9
124.07525	3.4
125.05965	4.7
125.09615	4.9
127.03852	5.7
128.06227	2.8
128.07100	2.7
129.06926	3.9
130.08629	11.7
131.04881	11.7
131.08543	28.1
133.06491	3.1
133.10117	35.2
135.08052	9.6
135.11702	14.5
137.05952	9.8
137.09592	38.8
139.07513	3.1
139.11165	19.7
141.06969	2.8
141.09055	6.1
142.07787	3.2
143.08528	12.1
144.09309	3.4
145.04945	3.9
145.06398	2.5
145.10097	76.5
147.04440	3.1
147.08025	23.7
147.11659	24.6
149.06017	3.7
149.09637	14.7
149.13226	3.8
151.11182	4.9
153.05463	3.5
153.09058	3.4
155.08533	8.1
155.10635	51.4
156.01164	2.1
156.09334	6.6
157.04892	3.2
157.10097	16.3
158.07254	2.9
158.10861	4.0
159.08034	3.5
159.11688	20.5
161.09598	12.7
161.13202	10.5
163.07507	7.9
163.11136	11.1
163.14764	3.3
165.09108	22.0
167.07065	3.2
169.10107	7.1
171.11655	23.6
172.12437	4.8
173.09598	12.3
173.11734	14.7
173.13248	33.9
174.10135	2.7
175.07521	3.9
175.11127	7.4
175.14783	13.9
177.09164	3.4
177.16370	7.9
179.10751	4.7
181.10101	2.7
181.12157	2.5
182.10995	4.7
183.11674	16.0
185.09624	7.4
185.13199	13.4
186.10246	3.9
187.11208	14.9
187.14787	65.9
188.15620	18.9
189.09146	4.3
189.12727	9.1
191.10658	6.3
193.15862	4.5
197.09642	3.9
197.13216	14.6
199.11194	8.4
199.13083	3.7
199.14865	4.7
201.09013	3.3
201.12735	14.2
201.16446	2.6
203.10585	3.0
203.14305	9.6
205.12384	2.4
205.15834	52.2
206.04591	2.4
206.16589	3.4
208.10030	6.7
209.13307	4.6
210.10405	4.4
211.11176	8.6
211.14873	6.1
212.12006	2.5
213.12872	2.6
213.14740	5.0
215.10657	5.0
215.14200	4.5
217.12204	5.4
221.15329	5.8
224.15620	5.7
225.12744	8.6
225.16530	2.7
227.14265	8.4
229.12173	5.6
231.13972	2.5
233.15434	2.4
235.11691	6.6
239.17882	16.4
241.19464	5.9
242.12993	8.0
243.13794	17.5
245.15326	12.7
247.13393	5.5
253.12846	9.3
257.19107	16.7
261.14847	2.5
267.17435	18.3
275.20093	8.5
285.18439	100.0
303.19498	80.6
460.75189	2.3
465.26825	4.0
482.18973	2.6
500.21036	3.8
500.28915	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	499.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81836	1.2
55.05498	2.5
57.03418	3.0
57.07066	93.1
58.04208	9.5
59.04992	27.5
63.55809	1.0
67.05476	3.5
68.06268	1.5
69.07047	4.9
69.47395	2.7
69.47787	8.3
70.07817	1.4
71.04955	1.3
71.08619	100.0
72.05759	13.0
73.02903	6.0
73.06544	9.4
81.07038	4.3
81.64310	1.0
82.07858	1.9
82.35735	1.1
83.08613	6.0
85.06506	1.5
85.10167	91.7
86.07300	1.3
87.04446	16.8
88.05261	2.8
89.06020	26.8
90.01894	41.8
95.08614	1.6
96.09363	3.1
97.10149	4.8
99.11712	11.7
101.05969	2.1
102.06769	1.3
103.07547	10.6
107.07076	2.6
109.10138	2.2
110.10859	1.8
111.11713	1.7
115.07535	1.2
116.08305	2.4
117.09114	7.8
127.14875	1.9
131.07013	2.8
133.08594	13.5
138.14012	2.2
141.16348	10.2
147.10158	1.5
169.15877	7.2
175.13243	1.1
177.11186	5.3
178.07042	7.5
179.12753	3.3
180.12305	1.4
185.18985	2.8
193.14232	1.2
198.19763	5.1
199.20540	14.4
208.15425	2.9
209.13766	4.6
221.13705	1.3
222.09724	8.3
239.14880	1.3
243.23326	2.4
266.12289	5.7
284.13348	12.3
287.25864	1.3
305.23108	1.5
328.16061	1.7
342.17535	1.9
348.30923	8.7
349.25412	1.7
404.06696	1.3
408.32602	1.5
482.32941	2.0
499.35352	5.0
525.43158	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	4.3
55.86680	1.7
57.03413	6.7
59.04986	1.9
61.02908	4.2
69.03407	5.0
69.07046	3.6
70.06583	2.1
71.53570	4.0
73.02898	15.3
74.12829	1.7
75.04476	8.9
81.03390	2.2
83.04954	5.8
83.08593	4.1
84.04491	59.7
84.08125	3.2
84.58664	2.0
85.02883	5.2
89.05971	2.1
95.08569	3.3
96.04462	4.9
97.02873	5.7
98.06016	5.0
99.04434	2.1
111.04395	7.2
115.03915	5.2
116.10667	1.8
117.01012	1.9
126.05498	79.0
127.03837	1.8
130.08600	5.0
133.08641	2.0
138.05478	46.5
140.01671	1.7
144.06523	12.2
168.06537	11.4
186.07610	11.2
204.08640	100.0
214.17989	11.1
216.37585	2.2
222.09735	22.1
225.07603	2.8
240.05081	4.2
323.71002	1.8
336.09000	3.5
350.14337	2.9
368.11734	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	500.233
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05017	1.2
58.73765	0.1
67.05500	0.2
69.03406	0.2
70.06580	0.5
70.88173	0.3
70.88545	0.3
72.08147	0.2
73.02890	0.3
77.53491	0.2
79.01747	0.1
82.06567	0.2
84.04490	0.3
84.08126	51.6
85.02872	0.4
85.08459	0.4
85.22744	0.1
89.03887	0.2
91.05470	0.3
97.02864	0.3
98.97557	0.1
110.07139	0.5
112.07617	0.2
115.03916	0.2
117.03363	0.3
119.04928	0.4
127.03927	0.2
130.08611	100.0
131.08928	0.5
132.71855	0.1
136.06157	0.3
144.23984	0.1
145.02864	0.7
145.04901	0.3
145.05969	0.2
146.08112	0.8
147.04384	1.2
163.05826	0.2
177.05438	1.5
197.06575	0.2
207.06421	0.4
229.00119	0.1
237.02745	0.2
239.11153	0.2
279.09183	0.2
393.12128	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	4.7
55.01858	4.5
55.05498	24.0
57.03425	23.7
57.07058	6.6
59.04990	1.2
60.08142	4.2
61.02912	59.5
65.03914	1.7
67.05489	65.8
69.03415	30.1
69.06673	1.9
69.07050	32.1
70.22715	4.2
70.23135	2.0
71.01339	4.3
71.04985	5.6
71.08614	5.4
73.02898	27.0
75.04446	1.5
79.05475	26.5
79.43975	1.1
80.80178	1.2
81.03402	19.6
81.07037	75.6
83.04965	5.3
83.08598	20.2
85.02884	57.1
85.06546	2.3
85.10144	2.6
86.03235	1.1
86.09693	10.8
87.04448	4.4
87.10010	2.9
91.03935	37.1
91.05457	18.2
93.07027	24.3
95.04946	4.5
95.08584	61.0
97.02871	49.3
97.03515	1.9
97.06490	6.1
97.10155	9.4
99.04436	9.0
99.08094	3.1
101.02359	12.4
103.03948	8.9
104.10728	17.8
105.07003	13.2
105.10475	1.3
105.11053	7.7
106.11178	1.7
107.04922	1.3
107.08572	14.2
107.42078	1.2
109.02858	10.0
109.06484	1.9
109.10132	27.5
111.04415	2.2
111.08058	3.7
111.11702	1.7
113.09615	1.7
115.03899	4.8
117.05462	3.5
117.06999	3.5
119.08562	12.3
121.06486	1.4
121.10110	15.6
123.08030	2.4
123.11694	13.7
125.00002	3.5
125.09609	2.8
127.00378	2.5
127.03888	23.3
128.61324	1.0
129.05409	5.8
129.06976	1.1
130.08618	2.7
131.08543	3.8
133.10094	12.0
135.11676	9.6
137.05914	1.2
137.13234	6.7
139.11162	1.9
145.04951	9.8
145.10088	2.2
147.11691	6.8
148.58061	1.2
149.13202	6.6
150.94127	1.2
151.11192	1.6
151.14809	4.1
159.06487	3.3
159.11746	1.5
161.13211	7.7
163.11215	1.4
163.14780	6.9
165.12715	2.1
165.16437	1.2
171.11647	1.7
173.13245	1.5
175.14781	7.2
177.11226	1.2
177.16304	1.6
179.14330	1.3
179.17967	1.6
183.06517	7.1
184.07323	9.7
185.07735	5.4
186.07695	7.3
187.08174	1.7
189.16371	2.1
201.07536	4.8
223.38654	1.3
245.22583	11.3
249.02104	1.3
261.22125	2.2
263.23642	29.3
275.23553	2.1
299.23621	1.7
305.24747	2.8
317.24838	2.8
337.27289	100.0
338.27576	3.0
353.24805	1.5
365.26923	2.9
371.25754	4.5
389.26816	4.0
407.27667	2.1
423.03525	1.4
445.29315	4.4
463.30371	5.2
467.27414	1.2
481.31363	7.8
499.32767	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	498.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	2.6
57.07065	99.0
59.04746	1.6
59.04995	21.8
64.53367	1.4
69.07031	2.0
70.72800	2.7
70.73132	2.9
71.08618	97.7
73.06538	2.4
83.08584	1.9
85.10165	86.5
87.04448	7.3
89.06015	100.0
97.28306	1.3
99.11720	9.7
103.07558	5.0
130.08607	4.2
131.06992	3.7
133.08577	61.8
141.16348	13.3
158.54044	1.5
175.09660	1.8
177.11205	44.7
195.12236	1.6
199.20540	16.6
219.12332	1.4
221.13754	4.2
221.54747	1.4
239.14804	2.6
243.23239	6.7
246.27249	1.2
250.56599	1.3
251.38724	1.3
265.16507	3.4
274.90314	1.3
283.17465	43.5
323.20422	6.3
327.19968	3.7
329.83673	1.4
341.21591	4.9
391.47739	1.3
440.06668	1.3
459.83276	1.5
481.37308	18.4
498.39774	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	499.2527
Annotation	Jatamanvaltrate L
Peak:m/z	Relative Intensity
53.03930	8.0
55.05502	9.6
57.03443	5.9
64.15716	3.2
65.11961	3.3
67.05482	15.0
69.03418	53.5
69.07046	6.3
69.84251	20.2
69.84665	7.5
70.06585	8.6
73.02907	7.5
75.04449	4.0
79.05475	26.4
81.03404	11.3
81.07052	15.0
83.04958	6.4
84.04475	8.8
84.08126	9.2
85.02899	18.4
86.09711	4.0
91.05454	43.6
91.81813	3.8
93.07027	100.0
95.04963	13.0
95.08585	21.0
97.02868	58.5
97.03452	6.3
97.06511	6.3
98.21490	4.6
99.04451	7.2
100.80040	4.1
101.23172	4.1
103.05450	4.0
105.07030	37.7
107.08586	29.8
109.02900	5.5
109.10120	12.5
109.62782	3.4
111.08100	6.5
114.88555	3.9
115.03927	11.0
117.07001	13.4
119.08557	85.4
121.06490	8.4
121.10120	68.3
127.03888	7.0
129.06999	10.1
131.08545	23.8
133.06491	4.0
133.10132	8.4
135.08005	8.5
143.08521	11.3
145.06500	5.4
145.10115	17.4
147.08066	21.4
147.11633	3.9
149.09578	33.4
153.88989	3.6
155.08572	7.0
157.06557	4.4
157.10147	9.4
159.08121	3.7
159.11700	9.3
161.09566	9.2
163.07492	4.2
165.09102	14.6
167.10678	6.7
171.07973	5.3
173.09604	10.9
173.13275	4.8
187.11330	6.6
199.11172	9.0
205.12268	8.4
215.10663	9.4
217.12352	4.8
233.11717	5.1
245.11761	6.6
263.12680	9.4
267.17484	4.5
279.12198	10.0
281.13702	31.4
290.59531	4.0
297.13263	11.6
344.57001	4.0
420.71045	3.9
445.21982	6.4
499.22250	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	498.342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61673	1.1
55.05489	4.0
57.03429	3.0
61.02899	1.6
67.05490	15.8
69.07053	7.9
71.04968	2.2
71.12933	2.5
71.13277	1.4
79.05478	10.4
81.07049	20.2
83.04951	2.8
83.08584	4.0
84.08125	49.0
85.02866	1.5
85.06525	1.4
89.06009	1.5
89.45042	1.2
91.05457	8.0
93.07028	16.9
95.04893	1.6
95.08582	8.6
97.06522	2.4
97.10062	1.8
105.07005	4.1
107.08598	8.3
109.06477	1.5
109.10165	2.3
117.06992	4.4
119.08563	2.2
121.10110	4.2
130.08620	100.0
131.08594	4.3
133.10121	6.5
135.11676	3.5
143.08510	1.7
149.13252	7.2
159.11613	3.8
177.12590	1.3
181.62404	1.3
195.13692	2.8
199.16898	3.6
217.15910	1.2
265.59109	1.1
269.17432	27.3
331.29865	1.4
408.43747	1.4
445.29639	6.8
463.30432	51.1
464.30637	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	498.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	6.8
55.01867	8.1
55.05504	7.5
57.03431	7.9
57.07063	9.6
59.04987	28.9
61.02906	5.1
67.05490	14.3
68.99772	2.6
69.03418	28.6
69.07056	30.5
69.20283	6.9
69.20705	6.8
70.06572	4.0
71.04990	9.2
71.08616	5.4
73.02898	7.1
73.06536	9.4
77.06039	1.6
78.56870	1.2
79.05489	4.9
81.03407	21.8
81.07039	22.8
83.04959	2.5
83.08607	3.8
84.04533	1.8
84.08137	2.7
85.02888	80.4
85.06501	3.1
85.10155	3.4
86.09690	1.6
87.00815	40.0
87.04461	6.9
88.91916	1.1
91.03962	1.4
91.05453	6.6
92.37748	1.3
93.07021	9.8
95.04958	2.2
95.08596	6.5
97.02876	45.5
97.06506	3.7
98.21536	1.9
99.04434	13.5
99.08091	1.4
103.03926	1.6
105.01847	75.4
105.05482	17.0
105.07014	7.0
107.04933	1.7
107.08577	5.7
109.02864	31.0
109.06527	2.6
109.10141	4.0
111.04447	1.8
111.08076	1.6
111.11697	34.2
117.01849	3.7
117.07003	2.7
119.08551	3.8
121.06479	1.6
121.10125	3.6
123.04398	4.7
123.11672	4.1
124.04684	1.2
124.07546	2.2
127.03891	68.3
127.11178	2.1
129.01814	3.7
129.12733	100.0
130.08583	2.1
131.08540	2.8
133.10129	6.0
135.11697	2.5
137.09578	1.3
139.03860	7.3
140.04204	2.2
145.04927	35.8
145.10114	2.5
146.10443	1.2
147.02861	1.5
147.04350	1.8
147.11598	1.9
149.13242	3.3
159.02893	11.8
159.11673	8.7
177.12694	10.5
179.14401	1.4
187.13112	2.2
189.03920	1.7
191.03391	1.3
195.06512	2.0
195.13754	1.8
207.06474	1.8
213.03851	6.9
215.10535	1.6
215.16370	3.9
215.46301	1.4
231.04964	29.8
233.17441	3.2
237.14868	1.3
243.15874	11.1
249.06013	12.3
251.16345	2.5
269.17426	39.6
286.17255	2.1
301.20087	6.3
310.21747	1.3
313.11740	1.5
359.16745	1.9
373.13797	4.0
445.24506	2.0
498.23117	1.7
499.85928	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54094	1.4
53.03939	6.7
53.93610	1.4
55.01852	6.4
55.05496	10.1
57.03437	9.0
57.07071	10.7
59.04988	37.8
59.32740	1.5
61.02904	5.3
65.68768	1.3
66.43666	1.4
67.05496	15.5
68.99787	3.1
69.03416	27.3
69.07058	41.8
70.06567	7.1
71.01376	1.4
71.04986	9.8
71.08616	8.5
71.54704	1.9
72.08139	2.4
73.02906	4.9
73.06532	8.8
75.80112	1.3
77.06023	2.6
79.05473	3.8
81.03403	23.6
81.07042	19.1
82.06536	1.4
83.04955	3.5
83.08607	5.8
84.04494	3.6
84.08122	5.7
85.02892	72.0
85.06532	4.8
85.10159	4.8
86.09715	2.3
87.00810	29.8
87.04452	7.7
91.03928	3.5
91.05468	10.0
93.07026	10.8
95.04966	4.4
95.08583	6.2
97.02877	40.1
97.06506	3.2
97.10159	5.4
99.04440	12.6
103.05490	1.6
105.01846	58.9
105.05479	18.0
105.06998	9.7
107.04941	2.0
107.08576	6.2
108.04440	3.0
109.02866	22.3
109.06492	1.9
109.10146	13.3
111.04432	2.8
111.08022	2.0
111.11704	54.7
112.09380	1.5
115.11198	2.3
117.01817	2.3
117.05508	2.3
117.06996	2.1
119.04924	1.3
119.08563	5.6
120.08060	2.5
121.06459	3.3
121.10135	5.2
123.04456	1.3
123.06474	1.6
123.08020	1.7
123.11691	6.1
124.07591	2.7
126.05487	1.8
127.03894	65.5
127.11169	18.7
129.01787	2.0
129.12729	100.0
130.08615	3.4
131.04909	2.2
131.08530	4.3
133.06424	1.7
133.10103	6.1
136.07588	1.7
137.05977	2.7
141.01740	1.7
143.08449	1.5
145.04936	24.5
145.10060	4.6
145.12263	3.3
146.06000	2.1
147.02855	1.5
147.08084	1.6
147.11583	2.5
149.13229	2.5
153.01843	2.0
159.02844	10.2
159.08040	2.1
159.11656	8.5
160.02180	1.5
161.09561	2.3
161.13161	1.9
167.07112	1.8
173.09615	3.2
177.12726	6.0
179.14275	2.4
187.11209	3.1
187.13254	2.4
187.17006	1.5
195.13782	2.4
201.16287	3.2
202.16699	2.4
205.12140	3.2
211.08589	2.4
212.09419	2.8
213.03938	4.3
215.10623	3.2
215.16354	16.0
219.13780	1.9
231.04968	21.8
233.17410	8.8
239.11737	2.1
243.15793	10.8
249.06012	10.8
249.14969	2.2
251.16417	4.2
255.11328	6.4
257.08026	6.5
267.11252	4.8
269.17419	24.0
285.12427	1.8
301.11768	4.9
301.20050	4.0
313.11902	13.9
313.16049	7.0
336.36331	1.5
341.11252	5.9
359.17108	1.9
371.20615	2.3
373.13828	31.7
374.14481	1.5
466.19211	1.8
498.16913	2.7
498.34064	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	498.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90268	0.4
55.01852	0.6
55.05485	1.6
57.03413	1.1
57.07071	0.5
61.02893	0.4
61.54623	0.4
67.05166	0.5
67.05493	5.5
69.03400	1.3
69.07061	1.9
69.07385	0.3
70.06583	2.1
71.04977	1.8
71.52431	0.4
72.08118	0.4
73.02893	0.7
79.05476	1.9
81.03388	1.2
81.06588	0.5
81.07041	9.0
82.06535	0.4
83.04944	1.0
83.08608	2.4
84.04485	1.1
84.08125	1.0
85.02883	1.4
85.06510	1.4
86.09672	0.8
91.05454	2.4
93.07026	3.6
94.04700	0.3
95.04927	1.0
95.08593	1.8
96.04476	0.5
97.02867	1.1
97.06521	0.7
97.10123	0.6
99.04437	0.9
99.08106	0.4
102.05505	0.4
104.70523	0.3
105.07005	2.1
107.08580	2.1
108.04455	2.5
109.02829	2.0
109.10120	1.4
110.02312	0.3
111.04408	0.7
111.08075	0.5
117.06993	0.7
119.04938	0.4
119.08524	0.8
120.08115	0.4
121.06491	0.6
121.10140	1.0
122.05975	0.9
123.04460	0.3
123.11671	1.7
127.03926	1.8
128.07007	0.6
129.10220	0.4
130.15338	0.4
131.04912	0.5
131.08528	1.0
133.06429	0.5
133.10104	2.6
135.11684	1.1
137.09615	0.4
138.05455	0.4
140.07014	0.9
145.04944	0.4
145.10086	1.2
146.05981	1.0
148.07513	0.5
149.09619	0.4
149.13219	1.5
151.11148	0.8
153.01724	0.7
159.11658	2.7
161.13132	0.3
166.04955	0.7
168.06535	4.0
173.09534	0.4
173.13214	0.3
174.05388	0.8
174.07623	1.1
177.12717	2.7
179.14262	1.2
182.17232	0.3
187.11139	0.5
187.13258	1.7
195.13815	0.8
204.06488	0.4
205.12093	0.5
206.08118	1.2
208.09969	0.4
210.07851	0.6
211.08638	3.2
211.12204	0.5
212.09367	0.9
213.10207	0.8
215.10750	0.4
215.20073	0.5
221.10706	0.9
222.09093	1.0
223.08759	0.6
223.12337	0.4
224.10602	1.2
225.10121	3.3
226.10956	0.6
233.21198	0.6
239.08151	0.4
239.11729	7.0
240.08958	0.6
240.12453	0.6
241.09676	1.3
243.15907	5.3
249.10242	0.6
250.08611	0.6
251.08049	0.8
251.16359	0.7
252.08917	1.2
253.09688	4.7
254.10439	0.7
257.08084	1.7
257.12775	0.8
267.11230	9.6
268.09540	0.5
268.12137	0.5
269.12769	1.2
269.17441	14.9
278.08292	0.4
281.09134	0.6
283.10513	0.4
284.11435	0.8
285.12262	1.0
295.10681	4.9
295.15646	0.6
296.09094	0.4
301.20038	1.9
313.11765	34.4
313.16220	3.8
314.12109	1.0
323.10431	1.0
327.13144	0.6
339.17969	0.9
341.11240	4.4
355.12753	2.5
359.12338	0.7
371.20584	1.8
373.13867	100.0
374.14243	4.3
466.19769	0.8
498.22330	1.5
498.34027	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.6
55.01842	0.7
55.05490	1.1
59.04982	0.7
61.02909	0.4
62.41246	0.3
67.05499	3.0
69.03405	1.2
69.07057	1.9
69.86387	1.8
70.06576	1.9
71.04971	1.1
72.08115	0.6
73.02896	0.5
76.20089	0.3
79.05454	1.1
81.03392	1.0
81.07043	4.6
82.07358	0.3
83.04964	0.7
83.08614	0.7
83.12361	0.3
84.04487	0.9
84.08106	1.1
85.02885	1.6
85.06530	0.8
86.09686	0.9
87.00816	0.4
87.04482	0.4
88.02901	0.3
89.06005	0.4
91.05471	1.7
93.07015	2.5
95.04948	1.4
95.08598	2.0
96.04485	0.3
97.02866	1.0
97.06506	0.5
97.10159	0.3
99.04424	0.7
103.05494	0.3
105.01826	0.5
105.07014	2.0
107.04881	0.5
107.08559	1.5
108.04471	1.1
109.02872	0.7
109.06503	0.6
109.10119	1.5
111.04405	0.5
111.11674	0.5
113.77707	0.3
119.08550	1.6
120.08076	0.3
120.08896	0.4
121.06459	0.4
121.10107	1.1
122.05988	0.7
123.11666	1.1
124.07645	0.6
127.03938	1.6
127.11163	0.5
128.07051	0.4
128.22583	0.3
129.10165	0.5
129.12729	0.5
130.08691	0.4
131.04910	0.6
131.08517	0.5
133.10097	1.6
135.08041	0.5
135.11723	0.4
136.07494	0.3
137.09540	0.4
138.05489	0.9
140.07033	1.1
145.10063	0.6
146.05975	0.9
147.08080	0.3
147.11649	1.0
148.03877	0.4
148.07486	0.8
149.13232	0.9
151.11128	0.4
153.01768	0.8
157.10078	0.4
159.11662	1.5
161.09564	0.4
161.13263	0.6
166.05066	0.8
168.06516	2.6
171.11664	0.4
173.09563	0.4
173.13222	0.4
174.05476	0.7
177.12724	1.4
179.14316	0.7
187.11053	0.4
187.13231	0.9
201.16341	0.6
202.16672	1.0
204.06514	0.5
206.08118	1.0
211.08672	3.2
211.12257	0.9
212.09447	0.9
213.10248	0.7
215.10555	0.5
221.10738	0.4
222.09084	1.0
223.08620	0.6
223.12230	0.5
224.10973	1.5
225.10167	3.8
226.10959	0.8
227.12067	0.3
233.15161	0.3
239.08115	0.7
239.11748	7.0
240.08774	0.6
241.09702	1.0
241.13278	0.7
242.10542	0.4
243.15846	2.4
249.10165	0.6
250.08629	0.8
251.08145	0.6
251.12178	0.4
252.08896	1.2
253.09680	4.0
254.10481	0.7
255.11194	1.0
257.08105	1.8
257.12744	0.6
267.11249	9.3
269.12796	1.2
269.17426	6.4
271.10712	0.4
280.08279	0.4
281.09161	0.4
284.11420	1.0
285.12256	1.1
295.10681	4.2
297.12149	0.5
301.11734	1.1
301.19983	0.6
313.11765	35.3
313.16064	1.5
314.12027	0.8
341.11267	3.7
355.12833	1.3
371.20590	1.0
373.13873	100.0
374.14355	2.1
448.18854	0.4
466.19482	0.6
498.21909	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.7
54.94962	1.8
55.01871	4.5
55.05502	17.0
57.03426	5.4
57.07049	6.7
65.03913	4.2
67.05494	78.3
69.03427	11.2
69.07061	20.1
70.06575	8.1
70.85084	4.1
71.04984	11.9
71.08616	2.2
73.02888	5.7
77.45551	2.4
79.05486	49.2
81.03392	6.3
81.07042	100.0
83.04944	7.0
83.08599	11.4
84.04491	4.0
84.08120	4.8
85.02901	11.4
85.06532	45.0
86.09685	2.6
87.00813	3.3
87.04444	5.6
90.43557	1.8
91.05463	34.5
93.07031	65.7
95.01303	2.0
95.04965	10.5
95.08595	88.5
97.02841	5.3
97.06506	10.8
97.10131	6.2
99.04467	4.2
99.08073	16.4
99.41468	2.1
101.02353	4.2
101.06006	2.5
103.03900	2.2
105.07008	21.9
107.04967	4.2
107.08582	45.2
109.02872	6.9
109.06491	6.6
109.10139	46.9
111.08057	8.4
111.11667	3.7
115.07535	2.4
117.07007	14.1
119.03374	3.8
119.08566	25.7
120.08070	2.7
121.06456	4.1
121.09335	3.5
121.10134	45.2
122.05980	2.4
123.08044	6.0
123.11687	21.7
125.05950	4.1
125.09570	4.9
126.09129	2.4
127.03913	9.3
127.07561	1.8
130.08559	2.4
131.06963	2.9
131.08542	25.2
133.10109	30.6
135.08023	6.5
135.10712	2.6
135.11676	43.5
136.07561	3.2
137.02254	2.7
137.05974	11.5
137.09583	9.1
137.13210	6.8
139.11134	4.6
141.09067	3.5
143.08499	3.1
145.02927	2.1
145.04965	2.7
145.10107	22.7
146.06024	2.1
147.04395	3.7
147.08011	4.1
147.11668	15.5
149.05945	4.3
149.09587	6.1
149.13232	35.1
151.11105	9.6
153.05426	10.5
153.09109	2.4
153.12740	4.2
155.10657	5.7
157.10094	3.5
159.11676	20.6
161.05878	2.7
161.13194	6.2
163.11174	6.5
164.07033	2.9
165.09088	2.3
166.08598	6.7
167.07021	3.2
167.08788	2.2
167.10643	2.5
167.14493	2.7
171.11713	2.0
173.13261	19.8
175.14798	3.1
177.05418	5.7
177.12714	7.9
177.16373	2.0
181.08615	2.7
181.12163	3.5
183.06456	3.2
183.08046	2.5
187.14824	7.2
189.16377	3.5
191.14354	9.2
191.89087	1.9
195.06454	3.2
195.13834	3.1
197.05887	2.5
201.12619	2.1
205.19424	5.3
209.15437	4.9
215.15857	3.6
215.17920	67.8
229.12155	2.5
230.11687	2.1
233.11644	8.0
233.18979	58.9
249.11177	6.1
249.13333	3.2
251.20036	70.4
269.21002	13.5
294.56299	2.4
303.05042	9.6
355.04221	1.9
411.19501	2.9
425.21573	45.6
437.08429	2.9
443.22696	54.9
455.29657	1.9
461.23483	5.5
497.10757	9.2
497.19684	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	497.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.0
55.01862	1.0
55.05503	0.7
59.04979	0.8
62.76622	0.5
67.05488	1.3
69.03413	1.5
69.07041	0.8
70.06573	2.2
70.76926	1.7
71.04977	5.1
72.08133	1.6
79.04260	0.4
79.05474	0.7
79.62755	0.5
81.03385	1.0
81.07021	1.3
83.99081	0.5
84.08122	2.3
85.02888	1.9
85.06543	1.2
86.09691	1.7
87.04436	1.7
91.05469	1.2
93.07028	1.7
93.59064	0.5
95.04955	0.5
95.08583	1.2
97.02859	1.4
97.06511	1.5
105.07026	0.7
107.04926	0.5
107.08570	0.9
108.04456	3.6
109.02888	0.8
109.10174	0.5
110.05992	0.9
115.03880	0.6
118.06527	0.9
119.08573	1.1
120.04507	0.7
120.08090	0.9
121.06514	0.5
121.10109	0.9
122.02380	1.0
122.06026	1.0
123.04388	0.8
124.03947	1.2
127.03967	0.8
130.06508	0.6
130.08615	1.1
133.04958	1.4
136.07567	1.8
137.05948	1.2
138.05487	1.9
140.07053	1.5
141.05482	1.2
144.08022	1.1
146.05974	3.2
146.09631	0.8
147.09109	0.5
148.03906	1.6
148.07579	1.9
150.05482	1.6
150.09084	1.0
151.07605	0.7
153.01938	0.5
160.07614	0.7
161.07126	0.9
161.10773	1.0
164.07034	1.3
165.05405	0.9
166.04895	2.6
166.08548	0.6
168.06525	4.3
171.09158	1.0
172.07573	1.9
173.07143	0.7
174.09116	2.2
175.06064	0.6
175.08623	8.2
176.07025	8.6
177.05455	0.7
177.16273	0.6
178.08603	2.2
182.04543	1.1
182.07954	0.6
185.07088	1.3
186.05498	0.8
186.09135	0.7
187.06004	1.2
188.07141	0.6
189.06474	0.7
189.10245	4.3
190.08652	0.8
191.08121	3.0
192.06599	0.6
194.04514	2.1
196.06046	3.3
196.07614	0.8
198.07640	0.7
199.08641	4.5
200.07045	3.2
202.08699	2.7
203.08125	17.8
204.06529	3.3
213.06673	1.0
213.10182	5.4
213.18481	1.2
214.08644	0.9
216.10286	0.7
217.06108	1.8
217.09689	15.8
218.08061	0.8
223.08554	0.7
224.06999	0.8
226.08795	0.6
227.08134	6.7
228.06560	2.2
228.08910	1.6
229.09729	1.5
230.08054	1.0
231.07620	3.0
231.11261	1.3
231.19568	0.6
235.10785	1.4
241.09650	8.6
242.07950	2.9
243.11313	1.1
244.09703	0.6
245.09181	30.9
246.09636	0.8
247.10634	2.6
248.09282	0.6
249.08574	0.8
250.07083	3.8
252.06587	0.6
255.07613	1.2
259.07071	1.0
259.10751	7.8
263.10220	9.8
269.09161	9.0
270.04639	0.5
270.07574	1.3
271.04425	0.7
271.10663	0.9
273.08667	8.3
277.11914	0.7
282.09601	1.6
287.10205	21.0
289.11835	1.9
291.09674	9.4
297.08615	1.6
302.12421	1.2
305.11285	11.4
305.14539	0.5
315.09711	6.2
323.12289	2.7
329.11243	0.8
333.10745	10.3
333.14368	1.0
347.12247	3.3
349.13824	4.7
351.15341	1.2
361.14005	1.2
365.13367	4.4
373.13977	8.1
374.14059	0.6
375.11826	0.8
377.13351	7.6
391.14948	2.5
393.16409	2.3
395.14633	3.2
401.13525	1.4
409.15924	1.5
419.14429	9.0
421.16608	0.6
423.13974	4.0
437.15433	4.2
447.13916	2.1
451.17252	4.3
455.16522	17.7
465.14996	32.3
466.15652	0.9
479.16760	2.0
497.17563	100.0
498.17831	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	497.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.3
55.01857	2.4
57.03418	0.7
63.67834	0.7
67.05494	1.1
68.35693	0.6
69.03405	2.3
69.07031	0.7
70.06564	3.0
70.77969	1.9
71.04980	5.3
72.08134	1.3
73.85551	0.6
79.05468	0.8
81.03399	1.1
81.07033	1.4
84.04498	1.0
84.08115	1.2
85.02896	2.2
85.06517	1.4
86.09678	1.4
87.04454	2.6
91.05457	2.2
93.07006	1.9
94.06542	0.7
95.04953	1.4
95.08578	1.4
97.02868	1.0
97.06538	1.7
107.08545	1.3
108.04460	5.3
115.03939	0.8
117.07012	0.9
118.06508	0.9
119.08545	1.5
119.23798	0.6
120.04336	1.1
120.08100	1.6
121.10114	0.8
122.02369	2.3
122.05967	1.6
123.04405	1.1
124.03909	1.4
124.07552	1.0
127.03912	1.7
130.06511	0.7
133.04958	1.1
133.10056	0.8
136.07567	1.3
136.94501	0.6
137.05927	1.3
138.05441	1.9
140.03381	1.5
140.07130	0.7
141.05478	1.0
144.08063	1.1
146.05925	1.6
146.09669	0.7
147.04330	0.9
147.08022	0.8
147.09123	0.8
148.03821	1.5
148.07558	2.2
149.05965	0.7
150.05460	2.0
151.03860	0.9
152.06958	0.8
154.04958	1.1
156.06680	0.8
160.07582	1.3
161.07071	1.0
161.10622	0.9
164.07008	1.7
166.04976	4.2
167.06911	1.0
168.06535	6.1
172.07498	2.2
174.07761	0.7
174.09113	2.7
175.08647	11.1
176.05560	1.2
176.07030	11.3
177.05487	1.1
178.08638	1.6
182.04471	1.7
184.07648	1.0
185.07062	1.7
185.10803	0.7
186.05521	1.0
186.09186	0.7
187.06012	1.6
189.06587	1.5
189.10179	6.6
191.08170	1.4
194.04431	2.2
196.05977	4.2
198.09222	0.8
199.08652	3.8
200.07051	3.9
201.10326	0.9
202.08676	2.5
203.08124	21.8
204.06546	2.9
205.09796	1.2
213.06563	1.4
213.10202	4.6
213.18477	1.7
214.08592	1.8
214.10574	0.7
215.08092	1.2
217.06381	1.3
217.09674	18.4
220.58018	0.8
224.07214	0.7
227.08125	9.0
228.06490	2.0
228.08945	1.8
229.09650	1.5
230.08060	2.0
231.07623	1.9
231.11249	1.1
233.09312	0.9
233.11636	0.9
235.10742	2.8
241.09665	8.5
242.08073	3.2
243.11171	0.7
244.09923	0.7
245.09172	33.0
247.10718	3.7
249.08684	0.8
250.07043	4.7
255.07559	1.2
256.05853	0.8
259.10721	6.7
263.10199	12.1
269.09143	8.0
270.07599	2.1
271.10803	0.8
272.09155	1.5
273.08646	10.4
273.11398	1.1
282.09692	1.5
287.10208	23.5
289.11978	1.1
291.09702	10.9
291.12671	1.3
292.06274	0.8
297.08676	2.6
302.12265	1.9
305.11243	11.7
315.09689	5.9
323.12357	4.0
329.11017	0.9
333.10733	9.7
333.14429	1.1
347.12360	2.2
349.13849	4.9
351.15512	1.6
365.13315	4.1
373.13885	8.3
377.13345	11.4
391.14932	3.4
393.16382	1.3
395.14432	5.4
401.13513	1.7
405.12662	1.1
409.16025	2.2
419.14450	10.9
423.13889	6.7
437.15546	3.0
447.13931	2.7
451.17117	2.5
455.16513	36.9
465.14981	50.2
479.16479	1.6
497.17560	100.0
498.17612	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	497.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.5
55.01856	0.6
55.05495	0.4
56.32660	0.2
57.03422	0.4
57.07024	0.3
58.34786	0.2
65.03599	0.4
65.03925	5.8
67.05497	1.1
67.46489	0.2
68.99760	1.1
69.03419	3.1
69.07024	0.7
69.98682	0.6
69.99081	0.4
70.06573	1.0
71.04980	0.6
72.04465	0.2
72.08128	0.2
73.02907	0.4
79.05483	1.5
79.42570	0.2
81.03386	1.7
81.07040	1.7
82.69897	0.2
83.04967	0.5
83.08611	0.3
84.08118	0.8
84.61371	0.2
85.02884	2.1
85.06508	0.3
86.09708	0.5
87.00809	0.4
87.04453	0.2
89.03910	0.6
91.05461	7.5
92.02612	1.7
93.03387	7.8
93.07027	2.6
94.04173	0.5
94.06512	0.2
95.04948	2.0
95.08574	1.3
97.02878	0.9
97.06525	0.5
99.04387	0.4
100.11225	0.5
103.05420	1.1
105.01824	0.4
105.03366	0.3
105.07027	2.0
106.04156	0.2
107.04944	1.7
107.08558	1.4
109.02853	2.0
109.06509	0.6
109.10152	1.2
110.03648	1.5
110.06011	0.2
111.00752	1.0
111.04421	16.6
111.08089	0.3
115.05356	0.3
117.03354	0.8
117.06990	0.4
119.04912	3.1
119.08543	1.1
120.08065	0.3
121.02836	2.6
121.06462	3.1
121.10105	1.0
122.03619	1.3
123.04396	1.0
123.08015	0.5
123.11684	0.4
124.07564	0.9
125.05965	19.3
126.03130	0.7
127.03934	2.0
129.06958	0.4
129.10239	0.2
131.04909	0.3
131.08575	0.5
133.02786	0.6
133.06491	0.5
133.10092	1.0
134.03604	1.7
134.05977	0.7
135.04367	2.0
135.08067	0.3
135.11693	0.6
136.07428	0.2
137.02313	3.7
137.05948	14.8
143.08614	0.4
145.02849	0.5
145.04922	0.4
145.06396	0.4
145.10100	0.9
147.04387	0.6
147.07973	0.4
147.11606	0.7
148.07524	0.6
149.02336	0.6
149.05949	39.9
149.13263	0.3
150.06763	2.3
151.03940	0.4
151.07526	1.5
152.07101	0.2
153.01801	15.4
153.05429	35.0
154.05769	0.5
155.04846	0.3
157.06346	0.3
157.10066	0.5
159.02843	0.5
159.11681	0.7
161.05954	0.5
161.09590	0.5
163.03841	1.7
163.07477	0.3
163.11124	1.2
165.01790	3.1
165.09117	0.2
166.02571	0.3
167.06992	0.7
171.11653	0.4
173.05931	0.7
173.09517	0.3
177.05432	3.9
178.04883	0.2
179.03392	0.3
181.08612	0.3
183.02818	1.1
183.04265	0.3
185.13208	0.2
187.03911	0.3
187.11165	0.4
189.05478	0.4
189.08994	0.2
189.12740	0.2
191.03256	0.3
191.10600	0.4
195.06491	11.8
200.04723	0.3
201.05437	2.3
201.12695	0.2
201.16370	0.4
203.03394	0.8
203.10637	0.5
203.14255	0.3
204.04103	0.3
205.04916	0.3
205.12120	0.3
207.02859	0.2
213.03780	0.3
213.05545	0.3
213.12732	0.5
217.04903	3.4
218.05676	0.6
219.02872	0.6
219.06454	0.3
225.10126	0.2
226.10684	0.3
228.04109	2.1
229.04913	7.2
229.15887	0.4
231.02824	0.8
231.13783	0.9
239.03397	0.4
239.11780	0.7
240.12070	0.6
245.04378	3.8
246.05180	1.7
247.05975	0.9
247.16905	0.3
249.14856	0.4
249.18468	0.5
257.04410	3.8
258.05090	0.3
260.03183	0.5
266.10022	0.5
267.11264	0.4
268.11533	0.4
269.08084	0.2
271.14420	0.7
272.14764	1.1
273.03873	3.4
274.04657	4.2
274.07501	0.3
275.05389	0.3
284.03192	0.5
285.03876	2.1
286.04620	0.4
287.05508	0.4
299.13599	0.4
300.14120	0.5
301.03384	6.3
302.01346	0.3
302.04153	16.5
303.04919	69.2
304.05313	0.9
310.12836	0.2
313.03351	0.5
315.04837	1.3
327.04956	3.3
327.13373	0.9
328.13553	1.5
343.04422	1.3
353.11340	0.3
354.11584	0.6
361.05496	1.4
419.07401	0.3
436.08051	0.2
446.56952	0.2
451.10110	3.9
453.22046	1.3
479.09442	0.9
479.20108	0.5
497.10678	100.0
498.11023	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.4198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	2.5
57.03411	3.2
57.07066	97.5
59.04991	61.6
69.07036	2.5
69.18706	13.3
71.08620	100.0
71.50461	1.0
72.08949	1.3
83.08616	3.5
84.58634	1.2
85.10168	95.6
89.06017	18.4
97.10129	2.4
98.21543	2.6
99.08118	1.3
99.11717	12.7
101.06000	2.4
101.09644	6.5
103.07542	2.6
107.07035	2.6
111.11671	1.7
111.84994	1.2
113.32742	1.0
115.07542	1.3
117.09117	23.1
119.43372	1.2
133.08586	1.7
141.16373	13.7
145.08601	1.8
147.10164	8.0
159.13737	1.6
165.11241	1.8
175.13243	2.4
199.20541	33.6
205.14343	6.3
209.95667	1.3
219.27443	1.1
223.15373	3.3
240.23100	2.8
257.24704	44.8
258.25275	1.2
263.18542	2.6
266.78925	1.1
279.91010	1.4
281.19650	2.1
315.28934	4.8
479.39465	7.9
496.41458	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	496.4198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	1.4
57.03404	1.6
57.07064	100.0
58.07401	1.3
59.04988	33.5
69.07037	1.6
70.78551	1.6
71.08616	70.4
72.08939	1.1
74.02261	0.7
81.34730	0.8
83.08588	2.0
85.10164	58.9
86.10501	0.7
87.04464	1.3
89.06011	25.0
97.10154	2.1
99.11707	13.4
101.09643	3.5
102.25190	0.7
103.07545	4.7
111.11700	0.9
113.13245	4.3
117.09113	11.8
127.66710	0.7
130.08638	0.7
133.08575	17.7
147.10155	0.9
151.09607	3.4
153.88615	0.8
155.17902	11.2
158.11797	0.7
161.11691	1.6
177.11206	2.7
189.11212	0.8
191.12723	7.0
209.13811	4.7
213.22089	21.9
249.16899	3.0
254.24667	1.7
267.17972	2.6
271.26251	23.7
272.26645	0.9
283.17426	8.7
307.21176	1.0
329.30392	1.5
370.25751	0.7
375.19818	0.7
479.39502	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.4
57.03399	1.9
57.07064	100.0
59.04987	40.9
67.08798	1.4
68.48689	1.7
69.07048	3.9
70.61795	5.1
71.08617	95.5
83.08601	5.5
85.10165	95.4
87.04456	12.3
89.06028	17.6
91.54989	1.7
95.08595	4.1
97.10155	3.1
99.11714	11.2
101.09634	5.4
103.03931	28.1
103.07545	1.9
104.10754	3.0
107.07027	3.0
117.09108	12.2
119.07037	4.3
133.08562	9.1
141.16362	12.9
147.06490	10.3
165.07648	2.9
177.11197	2.5
184.07297	3.6
184.34373	1.8
188.20135	1.7
199.20541	29.8
205.10698	9.0
213.22182	2.0
223.11717	4.6
227.64424	1.8
240.23097	2.7
257.24701	30.4
263.14893	3.5
271.26273	1.8
281.15732	2.3
283.17499	6.9
414.11090	2.0
479.39621	2.9
496.38828	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61625	1.0
50.85935	1.0
52.38636	1.4
54.62354	1.1
55.05503	2.2
57.07065	100.0
59.04988	30.0
59.30890	1.1
69.07063	2.7
69.48602	9.8
71.08617	80.5
73.02918	1.5
83.08603	3.0
85.10166	67.6
86.09671	1.4
87.04449	5.8
88.11429	1.1
89.06023	8.8
91.21706	1.1
93.07030	1.1
97.10157	3.7
99.11705	12.4
101.09631	2.7
103.03918	31.8
103.07594	2.0
104.10749	1.9
111.11698	1.2
113.13270	4.3
117.09118	6.8
128.87375	1.1
133.08557	6.6
147.06454	3.3
155.17918	13.1
163.09599	6.7
177.11282	1.8
191.09099	7.0
203.63528	1.1
209.10147	6.4
213.22095	20.4
216.15038	1.1
249.13304	4.9
254.24738	1.4
257.24951	1.3
267.14252	6.0
271.26273	13.9
283.17499	3.7
408.56595	1.3
460.99850	1.1
479.39615	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	496.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	0.2
56.05025	0.5
56.59164	0.1
57.03423	0.3
57.07066	0.7
58.06622	0.4
60.08152	5.9
62.22311	0.1
66.45902	0.1
67.05501	0.2
69.07027	0.2
69.53783	0.3
69.54205	0.6
70.06553	0.1
71.07360	2.3
71.08624	0.6
72.48831	0.1
79.05453	0.2
81.07042	0.5
83.08629	0.2
84.08114	0.3
85.10163	0.3
86.09691	29.2
91.05447	0.1
93.06996	0.2
95.08617	0.6
97.10149	0.2
98.98444	2.4
104.10719	2.8
116.17224	0.1
121.58459	0.1
124.99982	19.1
130.08607	0.3
143.01006	0.4
149.22362	0.1
166.02708	0.2
184.07307	100.0
185.07648	0.5
213.18407	0.1
223.16084	0.1
226.38216	0.1
229.31831	0.1
258.10916	0.1
313.27197	0.4
461.28638	0.1
478.32959	1.1
496.33914	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	496.3388
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
53.81112	0.4
56.05013	1.5
57.03417	0.5
57.07063	3.1
58.06581	1.1
60.08152	15.7
67.05473	0.5
70.14855	1.0
70.15248	1.0
70.46281	0.4
71.07364	5.9
71.08607	1.6
81.07031	0.7
83.08578	0.6
85.10150	1.2
86.09689	48.5
95.08599	0.9
98.98465	3.8
104.10725	100.0
105.11037	0.6
109.10098	0.5
124.99979	25.4
149.54697	0.5
150.78645	0.4
156.57843	0.5
163.01524	1.0
184.07307	95.0
185.07747	0.4
212.21068	0.5
231.99878	0.4
245.73141	0.4
258.11139	1.0
313.27322	1.8
314.30972	0.4
329.21689	0.5
478.32867	8.9
496.33890	42.5
497.34189	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.6
55.01864	7.0
55.05498	2.1
56.05030	1.4
57.03430	11.0
59.04966	1.1
61.02920	7.4
61.55709	1.1
65.03912	1.6
67.05499	6.7
69.03419	19.5
69.07047	2.5
69.19784	8.8
69.20197	3.1
70.06581	11.7
71.01328	2.2
71.04986	1.4
72.08138	4.1
73.02502	1.8
73.02906	32.9
79.05103	1.1
79.05485	9.2
80.20293	1.1
80.42931	0.9
81.03398	4.7
81.07040	25.6
81.18076	1.0
83.04977	1.9
83.08601	1.5
84.04480	1.5
84.08136	5.0
85.02891	35.8
85.06544	2.1
86.09682	4.1
87.04448	4.3
88.02180	1.9
88.03970	1.6
91.05447	5.4
93.07024	33.4
94.07352	1.3
95.04941	2.4
95.08591	13.3
96.04454	1.3
97.02879	33.6
97.06496	2.9
99.04443	2.5
99.08084	1.3
100.07606	1.8
102.05521	0.9
103.03921	1.4
105.07037	6.7
107.04931	2.3
107.08566	8.6
109.02855	4.3
109.06495	4.2
109.10139	4.0
110.07137	1.7
111.04428	1.7
111.08054	2.4
115.03905	14.9
115.07555	1.0
117.06959	1.3
119.04905	2.0
119.08565	4.2
120.08057	1.3
121.06476	3.4
121.10122	100.0
122.10429	1.2
123.04387	1.6
123.08028	3.0
123.11681	27.4
123.12583	1.5
125.06007	7.6
125.09553	1.1
127.03900	10.7
130.06393	1.3
131.08548	5.5
133.04944	12.6
133.07616	1.0
133.10124	1.4
134.02669	2.0
135.08029	1.8
135.11668	2.2
136.07549	1.3
137.05928	3.7
137.09619	1.1
139.11159	10.2
144.06531	1.6
145.04927	12.6
146.08144	1.4
147.04364	3.0
147.08018	1.7
147.11664	1.2
149.05978	2.8
149.09595	16.4
149.13194	1.2
152.07060	1.6
161.05952	4.1
161.09641	1.2
163.05998	3.8
167.10645	47.9
177.05309	1.4
179.07098	1.3
181.04962	1.2
185.11690	14.2
191.10643	1.0
193.05003	1.4
215.17914	1.2
221.08186	1.3
223.05995	2.4
233.18851	1.9
241.07039	2.3
251.20020	1.2
259.08032	3.0
263.12659	1.4
281.13708	3.7
285.11142	1.1
292.73029	1.1
299.14847	29.9
311.14465	2.1
327.12140	3.0
329.16034	6.2
330.29132	1.1
345.13159	1.5
398.97870	1.1
471.17892	1.1
478.27853	1.5
496.17426	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	496.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.0
55.01857	2.7
55.05503	10.4
57.03431	2.0
57.07065	2.0
59.04971	1.4
65.03938	1.0
67.05480	4.3
68.99769	1.0
69.03417	8.8
69.07058	22.0
70.06580	6.7
71.04978	4.2
72.08144	1.7
73.02891	2.0
79.05475	3.5
81.03410	6.4
81.07044	15.6
82.06518	0.8
83.04952	4.1
83.08614	5.4
84.04487	1.6
84.08120	2.3
85.02899	16.6
85.06529	12.4
86.09691	2.1
87.00826	5.6
88.03973	1.2
90.01527	0.9
91.05486	4.3
93.07024	7.9
94.06545	1.0
95.04949	1.3
95.08597	21.0
97.02870	5.2
97.06502	2.4
97.10162	6.6
99.04432	2.8
99.08072	10.5
100.11256	2.8
102.05542	1.0
103.03872	0.8
105.01849	3.9
105.07000	3.7
107.08578	13.3
109.02850	6.8
109.06460	0.9
109.10142	9.4
110.05936	0.9
111.04412	1.3
111.08051	2.3
111.11687	5.4
113.09647	5.2
119.08544	2.1
119.54235	0.7
121.06437	1.3
121.10130	20.2
123.11668	5.9
124.07569	3.3
125.05947	2.0
125.09624	4.2
126.09145	1.5
127.03902	12.2
127.11177	1.2
129.01813	1.4
131.04855	0.9
131.08578	1.0
133.10043	1.5
135.11653	10.4
136.07632	1.0
137.02351	1.1
137.05968	3.0
137.13222	13.8
139.11174	4.4
140.07095	1.2
145.04909	4.1
145.10123	1.3
147.02885	1.0
147.11617	1.3
149.05949	2.8
149.13251	3.2
151.14784	2.9
153.01820	2.6
153.05431	2.4
153.12732	5.2
159.02913	4.0
173.09393	0.8
173.13284	0.9
177.05417	1.3
177.16357	40.1
182.15443	1.6
185.06996	0.8
187.23091	0.7
195.17429	21.6
210.14865	1.1
213.18462	100.0
231.04910	2.4
257.09186	1.1
267.11160	1.7
295.10629	0.9
302.04095	1.5
303.04916	8.9
313.11700	2.4
315.04849	1.1
316.05173	1.1
327.13153	1.3
371.12152	1.5
373.13733	2.4
418.17444	1.0
425.21564	1.4
436.18570	1.9
443.22430	1.1
461.23746	47.8
464.18137	2.8
478.28259	0.9
496.20898	5.1
496.37656	1.1
497.10803	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	496.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94559	1.0
53.03924	1.3
55.01847	1.9
55.05490	3.6
56.05023	1.5
65.03924	5.9
67.05473	2.9
68.04984	1.0
68.99780	1.4
69.03414	2.5
69.07038	2.7
69.16844	7.0
69.17264	4.4
70.06577	11.5
71.04978	2.4
72.08147	2.6
79.05492	5.1
81.03408	1.1
81.07040	8.1
82.06559	2.1
83.04938	1.6
83.08596	2.4
84.04472	4.6
84.08118	7.6
85.02873	4.0
85.06512	1.7
86.09698	1.7
87.00806	1.1
89.06020	2.5
91.05453	8.2
92.02602	2.2
93.03390	5.9
93.07011	4.5
94.06549	7.7
95.04959	3.5
95.08578	4.8
96.08121	2.6
96.08952	1.3
97.02872	1.9
99.04456	1.3
100.07604	1.2
100.11250	5.4
105.06992	4.8
107.04929	2.6
107.08574	3.4
109.02826	1.5
109.10133	4.8
110.06063	5.3
111.00790	1.6
111.04433	13.6
114.09155	2.9
117.06993	1.3
119.04934	2.5
119.08546	3.5
120.04459	7.7
120.08084	3.7
121.02824	4.1
121.05235	1.4
121.06461	2.9
121.10137	2.1
122.06011	3.9
123.11670	2.0
124.07565	46.4
125.05979	12.6
126.03106	1.2
127.03878	3.3
129.06982	1.2
129.10184	1.6
133.06471	1.3
133.10129	2.5
134.03593	1.2
134.05949	2.7
135.04362	2.5
135.11659	3.0
136.07582	2.8
137.02301	5.6
137.05923	5.7
138.05479	3.2
142.07498	1.1
142.08623	2.0
145.10077	1.8
146.05989	15.7
147.11668	1.9
148.07542	35.0
149.05948	33.2
152.07028	10.4
153.01804	18.6
153.05444	27.2
154.08543	1.2
160.07501	1.9
163.03938	1.2
164.07034	2.7
165.01802	3.6
165.09081	2.1
167.07018	1.2
172.03882	2.2
173.13155	1.4
174.05510	2.5
177.05411	4.1
177.75250	1.2
180.06516	1.7
182.08191	1.9
182.15404	2.6
183.02878	1.3
183.09032	1.1
187.11185	1.4
189.12686	1.5
190.04915	4.1
192.06503	3.1
195.06482	8.8
196.09781	2.1
197.10696	3.6
201.05438	3.1
203.03287	1.5
204.06563	1.2
206.08247	1.5
210.11455	1.3
210.14857	2.7
211.08691	5.0
211.12305	6.0
211.16917	1.7
212.09390	1.3
212.17273	1.4
217.04901	2.8
218.05814	1.5
218.28554	1.2
219.14888	1.7
221.10670	1.4
222.11314	1.1
223.12068	1.3
224.09416	1.8
225.10161	14.5
226.10902	15.3
227.11722	2.1
228.04141	2.3
229.04974	7.2
231.02904	1.2
234.07671	2.0
235.08583	1.3
235.12321	2.6
236.09366	1.5
237.10123	10.7
238.10896	4.3
239.11736	49.3
240.12508	4.6
241.13353	1.9
245.04312	2.7
245.12868	9.2
246.05153	2.2
248.09282	1.1
249.10201	2.2
250.10918	1.8
251.11688	7.0
252.08971	2.6
252.12453	2.6
253.09621	2.5
253.13347	3.7
254.10493	3.3
255.11223	1.8
257.04410	4.6
260.12787	1.1
263.11652	3.0
263.14087	6.7
264.09985	1.6
265.09708	11.1
266.10510	2.2
267.11212	26.6
268.11673	1.1
269.12769	1.9
271.14349	66.6
273.03867	4.0
274.04715	5.5
279.11197	9.4
280.11975	1.5
281.12817	8.8
283.10812	1.9
285.03879	2.6
285.12234	2.4
287.13715	1.4
291.11026	1.6
293.09189	8.8
294.10059	2.2
295.10687	6.8
297.12292	6.8
298.12997	7.5
299.13812	27.6
299.16925	2.1
300.14496	3.4
301.03409	4.4
302.04123	19.0
303.04929	100.0
307.10684	4.3
309.12305	8.5
311.10175	1.6
313.11847	5.6
315.13388	1.8
325.11725	10.9
327.13321	92.4
335.10126	6.4
339.09332	1.3
341.46945	1.2
353.11270	28.8
371.12259	3.2
392.19861	1.2
424.22293	4.5
434.20593	4.4
436.18484	2.6
451.10065	1.6
452.21707	46.5
464.18042	3.0
478.19696	18.0
479.09088	1.4
495.87103	3.4
496.20737	4.1
496.36865	1.6
497.10684	93.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12638	4.3
53.03928	4.4
55.05501	27.2
56.84826	4.6
59.67490	4.2
61.19750	4.2
67.05489	20.4
69.03424	27.6
69.07060	10.3
69.39709	41.4
70.06558	5.6
71.04981	11.6
79.05476	31.4
81.03407	11.0
81.07040	27.5
83.04964	77.2
84.08138	10.5
85.02880	16.0
85.06509	4.0
86.32664	4.1
90.45274	3.9
91.05458	55.5
93.07021	100.0
94.01189	4.2
95.04939	17.7
95.08571	26.0
97.06519	5.2
98.21497	9.0
99.04442	9.3
103.05431	6.0
105.07031	28.9
107.08588	17.0
109.02885	4.7
109.06505	7.0
109.10121	5.2
111.04424	51.6
111.08074	6.2
115.05420	5.0
117.06997	17.8
119.08562	68.4
120.08063	5.6
121.06505	10.4
121.10114	61.8
123.08063	6.2
123.11707	9.4
127.03804	5.1
129.05457	13.3
131.08542	14.0
133.10120	8.3
135.08018	8.5
135.11667	6.1
136.56566	4.3
137.09560	7.5
138.31850	4.8
139.11127	5.4
143.08575	6.5
145.10080	10.2
146.37254	4.8
147.08026	23.0
147.11745	5.9
147.29617	4.4
149.09624	26.0
154.92931	4.3
156.42310	4.3
157.10165	9.1
159.11732	5.0
161.09564	6.9
161.13181	5.1
163.06259	4.1
165.09090	15.6
165.96135	4.6
167.10675	4.4
169.10104	4.5
171.11682	6.7
183.39575	4.3
197.13199	6.8
277.14252	13.5
294.21143	5.0
295.15335	38.8
351.54468	4.9
378.86383	4.5
459.23615	5.9
477.28113	5.3
495.14578	5.1
495.29553	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	494.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.4
56.05032	0.4
57.03420	0.3
57.07061	0.3
58.06622	0.4
59.07133	0.1
59.07399	0.2
60.08155	5.7
67.05496	0.4
69.07054	0.6
69.86790	0.5
69.89577	0.1
70.06584	0.2
71.07362	3.1
71.08633	0.1
77.42848	0.1
79.05469	0.2
81.07055	0.3
83.08611	0.3
86.09692	27.9
88.07630	0.3
93.07024	0.3
95.08595	0.3
97.10171	0.3
98.21465	0.2
98.98446	2.4
98.99042	0.2
102.09190	0.2
104.10724	2.8
107.08572	0.2
121.10123	0.2
124.99982	20.0
143.00996	0.3
149.02290	0.4
184.07310	100.0
185.07559	0.5
193.04915	0.6
237.07645	0.5
258.11026	0.2
284.29352	0.4
288.75943	0.1
311.25574	0.3
340.42596	0.1
476.31448	1.2
494.32370	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	494.3232
Annotation	Vinylamycin
Peak:m/z	Relative Intensity
50.09330	0.5
55.05499	1.9
56.05026	0.5
57.03427	0.8
57.07071	0.6
58.06598	1.4
60.08153	13.8
61.02916	0.6
67.05495	1.7
69.07062	3.0
69.21439	0.5
70.06564	1.0
71.07360	5.1
71.08614	0.6
75.45495	0.5
79.05482	1.0
79.14635	0.5
81.07027	1.2
83.08606	1.7
86.09690	49.3
88.07643	0.6
93.07017	1.1
95.08599	1.4
97.10159	0.9
98.98457	3.9
104.10725	91.6
107.08586	1.0
109.10139	0.7
118.72115	0.5
121.10068	0.6
124.99984	25.4
135.11679	0.8
143.01123	0.5
149.02332	1.7
161.63405	0.5
172.08763	0.5
184.07307	100.0
193.04930	1.7
237.07539	1.6
258.10965	1.2
277.39359	0.5
284.29489	1.1
311.25809	1.4
311.78262	0.5
406.16867	0.6
423.79233	0.5
476.31345	8.7
484.05597	0.6
494.32336	38.9
495.32654	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48577	2.6
57.03420	2.8
57.06789	4.9
57.07070	100.0
59.04993	56.1
60.04439	2.5
61.96951	2.5
61.97288	2.8
62.91499	2.4
69.07058	4.4
69.44326	23.9
71.08625	89.2
72.75647	2.4
76.20004	2.5
83.08597	5.6
85.10178	93.2
87.04459	38.2
99.11719	11.9
101.09663	3.3
117.09140	19.4
123.97002	2.4
141.16386	12.6
162.89542	2.6
168.38324	2.4
188.09662	2.8
199.03835	2.6
199.20567	28.7
209.24698	2.7
243.34540	3.1
257.24738	34.8
449.38321	5.7
455.98822	3.0
494.40231	6.2
494.56741	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	495.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.6
55.05495	2.5
56.05017	2.0
58.01882	1.2
64.80029	1.4
67.05495	3.6
68.04995	2.0
69.03401	2.1
69.07056	3.8
69.58328	3.0
69.58740	7.0
70.06587	13.7
71.01398	1.2
71.04974	1.3
72.08132	4.4
74.06043	1.5
76.02240	1.4
79.05466	2.2
81.03385	2.2
81.07041	1.9
83.04919	1.5
84.04480	5.0
84.08122	5.1
85.02876	5.0
85.06580	1.3
86.09690	12.2
87.05559	1.4
91.05458	4.2
91.55080	1.1
93.07024	3.7
94.06538	5.8
95.04966	2.9
95.08600	3.1
95.66676	1.2
97.02885	2.0
97.06516	1.5
100.07590	3.7
102.05517	1.9
105.07011	4.4
107.08588	1.3
107.43340	1.2
109.10117	1.5
110.07141	4.0
111.08083	1.7
119.08554	2.3
120.08050	1.8
122.06008	16.0
123.04369	2.3
123.08086	1.8
124.07549	1.9
125.09641	1.7
127.03936	1.5
129.10193	1.4
130.06494	1.5
131.03389	1.7
131.08531	1.5
133.10120	1.7
135.08089	1.5
136.07538	3.3
137.05936	2.9
137.09575	1.5
140.07037	28.1
144.04405	5.0
146.05981	20.5
147.04399	2.0
147.06755	1.4
150.05479	4.1
151.03857	1.6
151.07372	1.6
153.05725	1.4
155.06973	1.4
158.05951	2.7
160.07521	3.2
164.06976	1.4
170.06018	1.7
172.03937	3.1
174.05482	18.2
175.14891	1.8
176.07039	5.8
177.05463	2.4
184.06015	1.4
184.07564	5.7
186.05409	7.6
188.07051	5.4
190.04922	10.8
198.05470	3.3
200.07054	2.7
202.04942	9.4
202.08627	1.9
204.06522	41.3
206.08067	3.4
210.05435	4.7
211.06224	2.6
212.07013	31.7
213.07816	1.3
214.05031	11.8
214.08559	3.3
215.05620	2.1
216.06450	9.8
218.08020	2.8
224.07002	4.4
226.08647	1.5
228.06558	12.1
229.15521	1.8
230.08064	6.0
238.04936	27.3
239.05833	3.3
240.06502	25.5
242.08119	10.2
243.08830	1.7
244.06009	2.8
246.07623	3.2
253.92009	1.4
256.05997	3.7
257.06650	1.6
258.07553	13.1
259.11063	5.2
268.05972	17.0
269.06808	3.8
270.07562	27.8
271.08286	8.8
272.09174	31.3
273.13568	1.3
276.08615	17.9
284.09109	3.5
286.07053	11.9
288.08682	4.1
300.08621	23.2
301.09283	3.3
302.10162	20.3
304.08038	12.8
313.11801	2.5
318.09689	18.6
319.25061	1.8
320.11523	1.5
322.09219	3.6
336.10709	100.0
345.14322	3.7
354.11856	3.5
379.12936	3.1
381.36987	1.4
397.13876	9.7
409.13681	4.5
411.15466	49.2
427.14655	2.7
441.16556	7.4
445.15845	4.7
459.17426	2.8
477.18964	6.7
495.18341	10.6
495.24808	2.8
501.72952	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	494.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.6
55.01857	3.9
55.05505	8.3
57.03426	2.6
57.07056	1.2
59.04973	1.8
61.02913	1.8
61.33755	1.2
67.05490	12.6
69.03413	11.6
69.07051	18.7
70.06586	6.7
71.04983	11.1
71.53370	1.4
72.08121	2.0
79.05472	7.7
81.03392	8.9
81.07037	19.7
83.04957	3.9
83.08593	8.9
84.04507	2.3
84.08127	2.9
85.02890	23.7
85.06519	5.3
86.09695	3.0
87.00820	7.2
90.07552	1.3
91.05435	6.2
93.07019	17.5
94.06561	1.9
95.04923	6.3
95.08591	30.7
97.02869	10.2
97.06515	10.4
97.10155	1.8
99.04426	8.9
99.08064	2.5
103.05476	1.4
105.01836	8.2
105.07004	10.2
107.08570	23.8
108.04447	1.7
109.02866	6.7
109.06491	10.0
109.10136	46.2
110.10461	1.3
111.04489	1.5
111.08067	2.9
111.11700	3.6
115.07543	9.5
116.78499	1.2
117.01884	1.3
117.06992	1.3
119.04944	1.6
119.08562	20.3
120.08061	2.3
120.08923	1.6
121.06470	1.5
121.10126	17.0
122.05992	1.5
122.10499	1.5
123.04463	1.8
123.08038	6.6
123.11698	11.8
124.03950	2.2
124.07575	1.6
125.09622	3.9
126.09144	2.9
127.03894	14.6
127.11166	7.0
131.04872	2.9
131.08578	1.8
133.10104	33.7
135.08035	2.1
135.10675	2.2
135.11671	32.2
137.02229	1.6
137.05957	7.2
137.09599	9.5
137.13206	1.2
139.11115	2.3
140.07054	2.6
141.09052	2.0
143.08583	1.1
145.04909	5.0
145.10138	2.6
146.05939	1.7
146.06975	1.2
147.04416	2.4
147.11652	5.1
149.09634	1.4
149.13242	10.6
151.07593	1.8
151.11165	2.0
151.14821	2.3
153.12726	8.0
155.10762	2.2
159.02844	2.3
159.11562	1.5
161.05988	1.5
161.09526	2.6
161.13165	1.9
165.09084	2.4
167.07034	2.4
169.07611	1.4
171.11682	1.3
173.09528	1.4
173.11673	2.3
175.07495	2.0
175.13274	2.8
175.14787	54.1
177.16357	38.7
193.15840	69.1
195.05577	1.9
203.09642	1.2
209.10757	1.4
211.16890	100.0
213.06401	1.6
217.92133	1.2
225.06610	1.7
229.05992	1.5
231.04924	3.0
237.10138	7.1
239.08141	1.4
246.11203	12.8
249.06195	1.6
250.07240	1.3
251.11748	5.1
265.09708	8.4
267.11331	3.0
271.07101	2.3
279.11133	4.6
285.08517	2.7
293.09125	8.9
295.10468	3.0
307.10602	1.2
309.12503	3.0
313.08096	2.3
315.04932	3.4
325.11740	4.0
332.27982	2.2
335.10294	3.7
337.11603	1.9
353.11270	20.9
421.05557	1.8
423.20038	3.4
434.13489	2.0
441.20889	2.1
453.10800	4.0
459.21796	1.7
471.12109	1.9
476.14532	3.7
494.14938	4.1
494.20325	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	494.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26554	3.1
54.42729	2.5
55.01858	3.2
55.05508	31.7
67.05496	29.9
69.03442	2.7
69.07058	8.7
69.66380	2.5
71.54330	2.7
72.08141	2.9
74.21200	2.3
78.67066	2.3
79.05474	26.8
81.03437	2.9
81.07034	22.3
83.04981	3.8
83.08604	19.2
84.08121	3.2
91.05466	22.3
93.07044	12.9
94.60389	2.5
95.08591	7.4
97.06516	3.7
97.10152	36.1
103.05449	10.7
105.07020	17.7
107.04958	3.7
107.08554	13.5
109.10134	6.4
115.05448	5.5
117.06998	36.1
119.08546	13.1
121.06538	3.1
121.10149	5.3
123.11938	2.8
125.09603	24.5
128.06143	3.5
129.06938	12.3
131.04996	2.5
131.08545	22.3
133.06465	8.4
133.10089	4.6
135.08044	4.7
141.06967	7.4
143.08557	8.3
145.06479	9.2
145.10156	12.6
147.08037	3.4
147.11734	3.3
149.09653	3.5
155.08553	10.3
157.10114	3.8
159.08026	5.3
169.10104	7.7
171.07980	3.1
171.11652	5.1
185.09631	2.8
187.14830	10.4
189.11179	17.3
197.13249	11.3
199.11052	3.0
209.13385	3.3
213.12648	3.3
215.14291	40.3
221.73689	2.9
227.12675	24.6
271.16928	3.0
339.23181	3.5
349.21677	6.4
367.22638	17.9
385.23624	14.0
403.24832	3.3
437.93796	2.4
441.26373	51.6
459.27365	100.0
459.33826	6.4
460.27731	4.6
477.28201	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	494.259
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41146	0.6
53.03926	2.3
55.01848	2.4
55.05505	6.8
57.03423	1.7
57.07048	1.2
59.04977	1.6
61.02904	1.6
62.06060	2.5
67.05486	7.2
68.99766	0.8
69.03415	10.8
69.07056	6.6
70.06567	3.5
71.01327	0.7
71.04970	5.0
71.54304	0.7
71.54636	0.9
72.08141	1.2
73.02887	1.4
79.05476	4.2
81.03399	7.3
81.07044	9.5
83.04964	2.6
83.08602	5.1
84.04485	1.2
84.08121	2.1
85.02889	23.3
85.06533	9.2
86.09694	7.7
87.00817	8.9
87.04446	1.5
87.72045	0.6
91.05457	3.3
93.07030	14.1
95.04946	11.2
95.08590	16.4
97.02875	8.3
97.06499	3.1
99.04437	8.1
99.08076	62.8
101.05984	3.0
105.01846	11.1
105.07009	5.4
107.04934	1.0
107.08571	14.0
108.04417	0.7
109.02867	7.7
109.06478	2.9
109.10136	28.1
110.10439	0.8
111.08054	3.2
111.11692	1.4
113.09612	2.4
117.06942	0.8
119.08552	7.6
120.08073	1.4
121.06498	1.3
121.10141	7.9
123.08052	1.8
123.11699	5.8
125.09596	4.8
127.03904	14.6
127.07513	1.7
127.11159	0.9
129.01837	1.3
129.09091	1.4
130.04955	0.8
131.04898	1.2
133.06458	0.7
133.10106	13.0
135.08023	2.4
135.10680	1.4
135.11668	19.1
137.05956	2.0
137.09592	10.3
140.06975	1.0
145.04919	6.2
145.05927	0.9
145.10062	2.3
146.68225	0.7
147.11685	1.8
149.09570	1.8
149.13214	2.5
150.81363	0.8
151.11156	3.2
151.14804	3.3
153.09097	0.8
153.12717	5.1
155.10643	13.0
159.02866	5.7
159.08104	0.7
159.11655	1.0
161.09552	1.6
163.11134	1.7
163.14738	0.7
164.04399	0.8
165.09122	1.1
165.16368	2.4
167.06975	0.9
175.14778	9.6
179.10550	1.5
193.15845	37.8
195.17410	1.3
211.16895	100.0
212.17284	2.2
219.07700	1.4
229.17935	8.7
231.04980	4.4
235.16908	1.0
237.10248	1.1
245.04066	0.9
283.15210	3.1
286.15518	1.7
296.25946	0.9
301.21457	2.1
314.27020	3.6
315.04962	2.3
316.05624	0.9
319.22565	1.5
332.08655	1.3
332.16034	4.2
332.27866	0.9
353.07132	0.8
372.62823	0.8
403.15979	1.4
423.20157	1.4
423.41705	0.9
440.24518	1.5
441.21075	1.5
459.22202	52.6
460.22638	1.3
476.26791	2.0
494.19415	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	494.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05418	0.2
55.05653	0.1
60.04395	0.5
60.04719	0.2
65.03856	0.2
67.05396	0.3
67.05708	0.1
68.04919	0.2
69.03323	0.2
69.06951	0.2
69.25639	0.7
69.26054	0.4
70.06476	0.2
79.05342	0.4
81.03284	0.2
81.06895	0.4
83.04855	0.2
84.08009	0.3
85.02764	0.3
86.09562	0.1
91.05354	0.3
91.26073	0.1
92.05711	0.1
93.05680	0.2
93.06884	0.5
94.06430	0.3
95.04831	0.2
95.08437	0.4
96.08055	0.1
96.08724	0.1
97.02778	0.1
97.06428	0.1
102.05329	0.1
103.05326	0.1
105.06889	0.2
106.06435	0.2
107.04813	0.2
107.08466	0.2
108.07928	0.2
109.10027	0.2
111.04322	0.2
119.08461	0.2
120.04291	0.5
120.08029	0.2
120.08790	0.1
122.05847	0.3
123.11588	0.2
124.07555	1.7
126.05367	0.1
127.03751	0.2
132.07874	0.2
133.10014	0.1
134.05838	0.1
136.07547	2.7
137.02129	0.1
137.05820	0.2
138.09000	0.1
138.16515	0.1
140.06888	0.4
144.07932	0.2
145.08792	0.1
146.05983	0.6
146.09596	1.9
147.04234	0.3
148.07408	0.2
152.06921	0.4
154.04968	0.7
158.05997	0.1
161.05798	0.2
162.05463	0.5
162.09012	0.2
163.07401	0.2
164.07022	3.9
165.07106	0.1
166.08563	1.2
167.06911	0.3
176.06851	0.2
179.06940	0.1
180.08075	0.1
180.09941	0.2
181.08696	0.1
182.09587	0.1
189.09000	0.2
191.06996	0.2
194.09526	0.3
196.11205	0.1
204.06442	0.2
206.08110	0.3
207.08769	0.2
208.09593	0.5
209.10570	0.4
210.07632	0.1
210.11398	0.3
211.08493	0.4
211.12196	0.3
212.09019	0.1
219.09070	0.2
220.09787	0.9
221.08731	0.1
221.10674	1.7
222.09253	0.1
222.11394	2.1
223.12183	1.4
224.09233	0.1
224.12813	0.4
225.10152	0.2
225.13765	0.3
225.91426	0.1
226.10762	0.1
232.09776	0.4
233.10507	0.3
234.11563	0.5
235.08607	2.6
235.12242	2.7
236.09248	1.1
236.12956	1.1
237.10167	9.2
237.13739	3.0
238.10822	1.2
238.14465	0.4
239.11694	1.3
246.09166	0.2
246.11444	0.4
247.08617	0.4
247.12285	0.9
248.09361	6.2
248.13235	0.3
249.10164	8.4
250.10942	6.4
251.11723	11.0
252.12308	1.0
253.09583	0.3
253.13222	0.9
254.10329	0.3
255.11078	0.5
256.53574	0.1
261.10123	0.4
262.10971	1.5
263.11731	23.5
264.08926	0.5
264.12436	4.7
265.09653	9.2
265.13235	31.4
266.10208	0.6
266.13809	2.5
267.11261	1.2
268.12051	0.8
269.09238	0.1
269.12619	0.2
275.11807	0.6
276.08972	0.5
277.09650	4.2
278.10382	1.4
279.11203	21.1
280.11740	1.3
281.12744	1.3
282.13559	1.1
283.11172	0.2
283.14316	1.0
287.10068	0.4
290.10568	0.1
291.11200	7.8
292.11951	2.2
293.09702	0.3
293.12775	5.1
294.09882	0.6
294.13498	1.4
295.10721	7.0
295.14102	0.5
296.11389	1.4
297.12256	6.6
298.12769	0.5
303.04968	0.1
304.08472	0.2
309.12253	53.2
310.12997	19.2
311.13724	4.6
312.14182	0.2
315.04819	0.4
319.10699	8.3
320.11267	1.0
321.12271	0.2
323.10150	0.2
325.11774	0.3
326.12228	0.2
328.13696	0.2
332.28055	0.5
335.10220	0.1
337.11719	100.0
338.12473	34.3
339.13107	2.4
340.13852	0.3
341.14221	0.5
342.15591	0.2
351.13358	0.4
352.14148	0.4
353.11240	0.6
355.12717	0.6
360.17145	0.1
368.13016	0.3
369.14343	32.6
370.15091	13.2
371.15701	1.2
418.21481	0.3
420.19839	0.2
434.20859	2.1
435.20572	0.2
444.19296	0.5
462.20126	17.2
463.20554	0.8
476.18140	0.2
480.21255	1.1
494.11307	0.2
494.23276	4.9
494.33295	0.8
495.13156	0.2
495.23306	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.0
55.01842	3.9
55.05483	5.0
55.29066	1.4
57.03426	7.0
57.07056	4.6
59.04976	1.7
60.04538	1.3
67.05495	6.3
69.03423	10.0
69.07055	10.6
70.06581	7.0
71.04976	6.6
72.08115	1.7
73.02882	3.2
73.06535	2.7
75.04462	2.2
79.05466	5.0
81.03387	5.4
81.07040	26.4
83.04961	3.2
83.08585	4.0
84.04487	2.1
84.08105	5.1
85.02422	1.8
85.02891	22.4
85.06516	4.5
86.09673	4.7
87.00819	6.9
87.04458	1.8
88.02227	1.8
91.05450	7.9
93.07031	16.8
95.04932	3.7
95.08595	23.9
97.02879	7.9
97.06498	4.1
99.04418	4.0
99.08064	8.4
103.05437	1.3
105.01863	14.1
105.07015	16.5
107.08571	26.3
108.08887	1.4
109.02853	5.7
109.06493	5.8
109.10137	19.2
111.04377	2.2
111.08053	4.2
113.09610	2.1
115.05376	1.3
115.07535	4.1
117.07008	1.5
119.04927	2.8
119.08555	38.3
120.08051	4.5
120.08866	1.6
121.02821	4.6
121.06451	1.8
121.10121	59.8
122.10410	2.3
123.04444	2.2
123.08060	6.2
123.11683	100.0
124.11984	2.4
125.09597	3.9
126.05473	1.5
127.03895	15.8
127.07516	2.8
130.08542	1.5
131.08568	3.0
133.10104	42.1
134.10556	1.3
135.08025	1.6
135.11661	41.7
136.07607	1.5
137.05960	7.6
137.09616	7.4
137.13226	12.3
138.05434	2.1
139.11147	2.0
145.04900	6.6
145.10179	1.5
146.08018	1.8
147.04390	3.1
147.11656	5.0
149.09567	1.2
149.13203	5.8
151.07434	1.3
151.14674	1.5
159.02859	3.4
161.05952	2.8
165.09119	2.4
165.16391	2.1
167.06992	4.4
167.10625	1.6
173.05963	2.1
173.13115	2.3
175.14793	84.8
177.00677	1.4
177.16318	4.7
191.14273	1.9
192.10138	1.5
193.04913	1.6
193.15846	83.0
194.16296	2.1
195.06522	2.5
201.05479	10.1
206.04451	3.5
208.09651	1.7
211.16893	61.9
213.03703	1.7
219.06537	2.7
229.17952	77.6
229.58751	1.4
230.18272	2.1
231.04890	4.2
249.05899	3.3
251.11899	1.3
317.69131	1.4
323.09045	1.5
325.10812	4.0
333.05994	3.6
353.11108	5.5
355.11624	3.5
402.07336	1.4
441.21024	4.2
460.72473	1.5
476.25610	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	493.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16582	1.0
55.05503	5.7
57.03419	3.8
57.07065	42.7
67.05494	12.2
69.07067	7.7
69.43159	9.5
71.08617	32.1
73.02911	1.4
75.04451	2.9
81.07041	17.8
83.08599	14.2
84.18865	1.0
85.02876	1.7
85.06519	1.4
85.09718	1.7
85.10171	19.9
87.04433	2.9
89.06018	2.7
91.03883	1.2
93.07023	2.2
95.08587	26.6
97.10159	8.0
98.20758	2.0
103.07554	1.4
105.07009	1.7
107.08553	1.5
109.10131	11.9
111.11673	1.9
117.05498	1.0
118.92168	1.0
123.11712	5.6
125.13223	1.0
137.13211	1.7
151.14819	1.7
158.67671	1.1
221.22681	1.3
228.67360	1.2
239.23645	36.1
239.26054	2.2
257.24680	4.4
284.30588	1.2
313.27304	100.0
314.27652	2.0
331.28360	4.0
475.32541	2.3
493.34616	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	493.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.9
55.01856	7.2
57.03428	4.0
60.23613	1.5
61.02918	3.3
62.02390	1.7
67.05486	2.2
69.03418	9.3
70.06584	9.2
70.35571	4.8
72.08127	3.1
72.56260	1.5
79.05498	3.5
80.10883	1.5
81.03403	4.2
82.06567	4.0
84.04465	2.4
84.08138	7.7
85.02892	36.1
86.09692	5.1
91.05479	4.9
95.04974	2.9
97.02868	8.7
99.04412	1.8
103.03923	4.6
103.05448	2.2
104.10669	1.7
105.03368	2.3
105.07009	2.3
109.02876	7.4
109.51241	1.8
110.07136	3.9
116.07069	2.0
117.07001	1.9
119.04933	5.1
121.02820	3.0
123.04414	8.6
127.03885	9.8
129.10229	2.2
130.08621	7.0
134.02736	2.6
137.05994	3.3
139.03871	3.1
140.07094	1.9
145.02792	1.8
145.04918	4.0
147.04404	14.3
147.07979	1.7
151.03893	37.8
151.05086	2.6
161.05914	3.9
162.09062	2.7
163.03844	12.4
165.05482	13.8
167.07109	2.4
169.04951	29.1
175.03854	10.4
177.05423	7.7
179.07024	3.0
181.04929	55.3
187.03838	2.8
189.05484	8.7
193.04936	100.0
201.05522	2.3
203.06953	3.2
205.04944	11.2
207.02942	3.7
207.06500	27.7
208.09653	3.8
211.05981	90.9
217.04921	6.1
219.06465	4.6
223.05994	2.3
225.07639	9.6
229.04884	14.4
231.06500	4.1
235.05975	90.1
241.04956	6.4
247.05995	65.8
248.06291	1.8
259.05994	40.8
265.07047	16.1
277.07086	32.3
289.07028	3.4
295.08026	27.2
301.07062	2.9
313.09113	25.0
331.10220	9.3
373.08475	1.7
397.29388	1.7
475.16806	1.8
493.17969	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	493.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04867	3.1
54.30255	3.1
55.01864	12.0
57.03409	6.9
67.05520	3.0
67.31175	3.2
69.03409	12.8
69.37236	3.0
69.66479	23.5
70.06570	15.7
72.08106	5.1
73.02905	5.7
81.03398	8.8
84.08125	12.6
85.02901	40.6
86.09706	3.7
88.03966	9.8
90.64490	3.6
91.05468	6.9
91.73621	3.2
95.04971	5.4
97.02866	17.8
98.21470	6.4
99.04440	4.0
103.03887	7.8
107.04945	5.5
107.08532	4.3
108.89875	3.4
109.02863	13.0
115.74377	3.5
117.07049	4.1
119.04904	3.4
121.02828	19.2
121.06500	3.6
123.04390	9.3
127.03902	15.8
129.06993	5.3
129.10205	5.1
131.04910	7.6
133.06444	4.6
135.04381	8.4
136.07545	3.6
137.02364	3.3
137.05917	6.2
139.03906	4.0
139.66074	3.9
140.07025	3.6
141.05623	3.2
145.05008	3.8
146.06003	3.7
146.08099	3.7
147.04393	17.5
149.02380	4.0
149.05943	7.6
150.05505	4.2
151.03876	12.7
159.04381	9.3
161.05936	12.1
163.03903	14.2
165.05402	6.8
167.03331	4.3
167.06970	4.7
168.66870	3.0
169.06403	4.2
171.04430	11.5
173.05922	12.9
174.34543	3.5
175.03900	34.9
175.07466	5.0
177.05450	22.8
181.04939	27.5
181.06363	5.4
185.05971	15.6
187.03868	21.9
189.05388	19.3
191.03358	4.9
193.04929	51.4
197.05887	5.9
199.03905	9.7
201.05421	20.2
203.03302	8.5
203.06973	9.9
205.04935	53.4
207.06534	9.1
209.06046	4.1
210.15594	3.7
211.04010	3.4
211.06023	9.7
213.05331	16.3
215.06787	3.8
217.04900	55.5
219.02859	13.4
219.06406	27.6
221.04372	22.9
223.05946	59.0
225.05460	12.4
227.06993	9.2
229.04855	20.7
231.06441	35.4
233.04402	6.4
235.05943	46.7
239.07156	5.5
241.04976	20.3
243.06483	18.7
245.04362	6.8
245.08046	9.7
247.05983	92.2
247.08383	6.2
249.07494	4.8
251.06921	3.9
253.04883	12.3
253.07123	7.8
255.06516	14.9
257.04443	4.5
257.07950	3.5
259.05991	100.0
261.07535	5.5
267.06650	6.2
271.05945	37.7
273.07452	19.8
277.07013	65.5
279.06461	7.4
281.08167	4.8
283.05881	25.5
285.07556	14.4
287.05423	7.0
289.03821	5.3
289.07019	96.9
295.05774	5.7
297.07535	13.9
299.08957	4.5
301.07016	88.9
307.08197	34.6
309.07562	3.6
313.06769	55.2
315.08646	6.0
319.08105	27.7
325.06174	10.9
325.09680	77.4
331.08087	7.3
337.09503	27.3
343.08041	48.2
355.10019	26.0
361.09070	45.7
367.08044	12.2
373.08850	27.9
379.10156	32.4
385.09180	17.7
391.10129	46.2
403.10120	30.3
409.11148	8.1
421.11230	34.0
439.12085	34.6
457.13226	8.3
493.17722	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	493.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.9
55.01847	1.6
55.05487	2.4
67.05483	4.8
69.03396	2.4
69.07053	2.9
70.06584	2.5
71.54240	1.0
72.08118	1.6
79.05467	3.4
81.03414	2.0
81.07030	7.5
83.04971	2.8
84.08122	1.5
85.02886	4.1
85.06559	1.4
86.09694	2.1
89.49020	1.1
90.66178	0.9
91.05450	6.8
93.07019	10.3
95.04948	2.6
95.08591	5.8
97.02862	1.4
100.07607	1.0
105.06987	5.2
107.04952	1.6
107.08571	4.2
109.06439	1.2
109.10137	4.3
111.04429	2.4
111.08012	0.9
113.98804	1.0
117.07020	1.8
119.08559	8.0
120.08121	1.3
121.06499	1.4
121.10139	4.0
122.06010	1.1
123.08028	1.3
123.11701	1.2
125.09583	1.3
127.03920	1.5
131.08582	1.4
133.10120	3.2
135.08012	1.2
135.11702	1.7
136.07570	1.4
137.05940	2.3
137.09641	1.2
143.08510	1.7
145.10089	1.9
147.08049	2.8
149.09634	2.8
149.13153	1.2
157.10130	1.9
159.11676	1.3
161.09622	1.3
163.11272	1.2
164.07066	1.2
165.09114	6.5
167.07068	1.1
169.10074	1.3
170.38443	1.0
171.00516	3.5
176.07193	1.1
191.06998	1.8
193.08565	1.0
227.05180	1.4
239.11815	2.9
245.07797	100.0
271.04196	24.0
279.11310	4.3
286.10394	3.0
297.12299	3.5
298.13080	1.3
309.12277	2.0
310.12692	1.7
311.14667	1.5
337.11761	1.2
339.13083	1.6
370.14804	1.9
371.15784	8.2
420.18958	1.5
449.14233	8.7
461.08777	1.4
461.19040	5.0
476.16766	1.3
493.13049	62.2
493.20502	2.7
493.27960	2.6
494.13654	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	492.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	9.2
55.01855	5.1
55.05493	10.9
57.03431	6.5
57.07066	5.0
65.77684	4.3
67.05479	9.6
69.03425	26.5
69.07044	6.8
70.06563	9.7
70.87234	9.7
71.04978	8.1
73.02880	7.3
75.55148	3.9
76.65305	3.9
79.05472	16.7
81.03395	18.6
81.07041	37.3
83.04963	14.8
83.08598	6.3
85.02900	56.1
85.06528	6.5
86.09695	7.1
87.00816	26.2
89.06024	4.7
91.05466	14.6
93.07029	23.5
95.04959	53.0
95.08583	17.5
97.02889	24.3
97.06507	7.6
99.04438	17.4
105.01855	24.3
105.07012	25.9
107.08576	30.7
109.02850	19.7
109.06506	82.5
109.10133	35.9
119.08587	23.2
120.08112	5.3
121.06468	5.8
121.10135	31.6
123.08025	6.3
123.11665	16.8
124.42762	4.6
127.03893	34.1
131.08548	16.7
133.10129	98.0
135.07986	7.7
135.11629	7.8
139.11134	19.7
145.04926	21.0
145.10094	12.4
147.11665	18.9
149.13217	25.7
151.11182	6.8
153.09113	24.8
158.10884	9.9
159.02956	9.0
163.11140	5.4
165.12665	5.9
167.14183	5.8
173.13228	67.8
175.14969	5.3
191.14285	100.0
209.15318	72.4
214.01060	4.3
227.16405	22.8
231.05006	9.7
244.09291	5.4
281.13959	4.9
303.05228	5.6
331.08035	15.0
461.24039	4.8
492.30331	71.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80117	1.0
53.03932	3.1
53.75697	0.9
55.01855	4.7
55.05495	2.8
57.03434	5.1
57.03666	0.9
59.04986	3.1
61.02892	2.2
63.38733	1.0
65.03928	1.2
66.79104	0.9
67.05487	5.3
69.03413	17.4
69.07048	4.3
69.56959	7.2
70.06588	5.4
71.04991	5.2
72.08143	2.2
73.02896	4.3
79.05470	5.2
81.03408	12.4
81.07046	10.4
83.04971	3.3
83.08623	4.9
84.04477	1.8
84.08102	2.3
85.02887	39.1
85.06540	5.1
85.46023	1.0
86.09688	3.8
86.72266	0.9
87.00812	15.6
87.04424	1.8
91.05455	9.0
93.03400	1.0
93.07027	10.4
94.69715	1.0
95.04945	18.1
95.08580	8.5
96.17545	1.0
97.02869	15.8
97.06509	14.1
99.04442	11.8
99.08097	2.0
103.03916	1.4
105.01851	17.5
105.07005	23.0
107.04936	1.3
107.08574	16.1
109.02856	10.6
109.06499	26.3
109.10122	10.5
111.04407	1.8
111.08051	4.4
113.09684	1.5
115.07548	3.8
117.01844	1.4
117.07031	2.6
118.27314	1.1
119.08556	11.1
120.08113	1.4
121.06483	2.3
121.09311	1.4
121.10129	19.2
122.02735	1.5
123.08042	6.6
123.11703	5.5
125.09619	2.3
127.03893	22.6
127.07489	1.6
129.01804	1.8
129.54076	1.1
130.08603	2.7
131.04883	1.4
131.08536	10.5
133.06470	1.6
133.10104	50.5
135.08040	7.7
135.11656	3.5
136.07527	3.7
137.05968	7.1
137.07875	1.5
137.09584	2.4
138.05432	5.0
139.11153	2.2
143.08530	1.1
143.10667	1.4
145.04924	11.1
145.10071	5.1
147.08058	2.2
147.11649	23.5
149.09589	2.5
149.13237	7.3
151.07521	3.8
151.11169	4.4
153.09079	13.9
158.10841	2.5
159.02834	6.7
161.09586	11.0
161.13245	1.5
162.05461	4.4
163.05904	2.8
163.07443	1.4
163.11166	4.5
163.14757	5.2
164.05888	1.3
165.12711	9.6
167.06940	1.3
167.10663	1.1
171.10100	2.9
171.11574	1.5
173.13225	24.1
173.14664	1.5
175.14784	2.8
176.03387	1.3
177.03766	1.9
179.10660	3.5
189.09094	2.9
189.12775	1.8
190.12988	1.6
191.14273	39.1
203.88998	1.2
207.10118	1.6
207.13832	1.7
208.14027	1.3
209.15324	79.2
210.15695	2.3
225.14717	1.6
227.16373	100.0
228.16730	2.1
231.04984	4.9
231.06978	1.0
249.06062	1.4
249.35052	1.0
253.14365	2.3
263.12680	1.6
281.13773	17.9
299.14883	1.4
317.21011	1.1
331.12119	1.5
335.22052	1.6
439.19434	2.8
457.20999	1.6
474.25012	1.3
475.21530	1.6
492.26669	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	492.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	2.0
55.01851	2.1
55.05257	0.6
55.05503	8.1
56.05014	0.7
56.96619	0.5
57.03413	1.8
57.07063	0.6
59.04980	0.9
60.04505	0.8
61.02885	1.3
65.03921	0.6
67.05237	0.4
67.05495	4.6
68.99779	0.8
69.03417	6.6
69.07051	3.2
70.06578	4.4
71.04974	3.6
71.53389	0.6
71.53764	0.8
72.08140	3.2
73.02884	2.0
76.17748	0.5
79.05477	3.5
81.03403	6.2
81.07036	6.1
82.06554	0.9
83.04967	5.6
83.08604	6.8
84.04466	0.8
84.08138	4.4
85.02887	14.8
85.06490	1.6
86.06046	0.7
86.09686	4.3
87.00808	5.3
87.04449	1.6
88.03945	0.7
91.03922	1.0
91.05468	3.0
93.07022	5.6
94.06539	1.8
94.07378	0.6
95.04949	35.1
95.08584	4.7
97.02869	5.2
97.06523	2.8
97.10146	1.4
98.06031	0.8
98.97510	0.6
99.04439	12.1
99.08096	0.7
100.04787	0.4
105.01833	5.3
105.07012	5.3
107.04887	1.0
107.08567	7.2
108.08929	0.5
109.02860	6.4
109.06509	4.0
109.10139	7.1
110.07111	1.3
111.04424	0.5
111.08050	2.7
113.09647	0.4
115.03941	0.6
117.01817	0.9
117.06988	1.1
119.08558	4.8
120.08055	2.0
121.06465	1.3
121.10124	13.1
122.06024	0.7
122.10486	0.8
123.08058	2.6
123.11701	3.4
124.07539	0.9
125.05986	0.6
125.09598	1.5
127.03882	11.1
129.01831	0.8
129.06981	0.5
129.10211	1.3
130.08620	7.2
131.04883	0.8
131.08572	2.7
133.06467	0.9
133.10104	9.6
135.08006	2.6
135.11630	2.3
136.07524	1.5
137.05922	2.1
137.09547	2.7
138.05475	4.0
139.11128	1.4
140.07043	0.9
141.01779	0.5
142.08626	0.8
143.08554	1.0
143.11772	0.7
145.04962	3.6
145.05934	0.6
145.10081	2.8
147.04420	0.7
147.08028	0.5
147.11687	3.6
149.06032	0.7
149.09575	1.9
149.13226	2.5
151.11151	9.8
153.09074	12.6
153.10307	0.6
154.08578	1.7
157.09938	0.8
158.10873	0.8
159.02858	3.5
159.11702	0.6
161.09569	1.5
163.11134	1.8
163.14769	1.7
164.07045	1.3
165.09067	0.9
165.12706	1.4
167.07001	1.0
167.10657	1.0
167.14291	11.8
168.77464	0.5
173.13219	6.9
175.05962	1.2
175.14799	2.9
179.10641	0.6
184.30121	0.5
189.03923	0.6
189.12581	0.6
191.07051	0.6
191.10654	0.5
191.14262	13.3
193.15822	2.3
207.10182	0.5
209.15327	100.0
210.15735	2.5
212.47511	0.5
213.03888	1.0
219.10072	0.9
227.16365	8.5
231.04979	2.4
247.16727	0.6
249.06125	0.5
251.16379	0.6
255.11234	0.6
280.11459	0.5
281.13770	2.8
283.10873	0.8
294.24307	0.6
317.17242	0.5
341.14081	0.5
353.11218	0.8
369.10309	0.5
439.19788	0.7
457.20718	1.6
459.68881	0.6
461.15622	0.8
474.24753	0.6
492.17523	2.2
492.25864	1.9
493.17859	1.7
510.18073	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44219	0.6
57.03420	3.9
59.04990	50.9
60.04483	0.7
61.02893	1.4
61.85054	0.7
67.05489	1.0
69.03397	2.5
69.98968	2.4
70.06586	4.2
71.04958	1.3
72.08124	1.8
73.02895	1.4
79.05473	0.9
81.03409	1.4
81.07024	1.1
84.04490	1.0
84.08115	2.7
85.02888	7.7
86.09671	2.4
87.04439	2.1
88.02186	0.8
88.03966	1.5
89.06013	80.8
91.05441	2.7
93.06992	0.6
95.04977	1.2
97.02841	2.6
99.04413	1.4
103.05495	0.7
103.07563	2.2
105.06994	2.8
107.04924	0.9
107.07041	5.3
107.08575	1.1
109.02871	1.4
110.07149	0.8
113.93761	0.7
116.07041	1.0
117.05457	0.7
117.09103	3.8
119.04936	1.6
119.08552	1.9
121.06503	1.1
121.10108	0.8
127.03896	1.5
129.10262	0.8
130.08632	2.7
131.04884	1.1
131.06956	0.7
133.08572	32.1
133.10072	1.5
134.04445	1.2
134.29279	0.6
136.07559	1.7
137.05943	1.6
139.07414	0.6
144.73444	0.6
145.02763	1.0
145.04996	1.1
145.07556	1.0
146.08060	1.1
147.04381	5.1
147.10167	1.1
149.05948	1.0
151.07509	2.4
151.09599	4.2
153.05457	1.1
161.05937	5.1
161.09576	0.8
161.11719	1.4
163.11108	1.0
165.05484	0.7
177.05461	2.4
177.11197	10.2
179.18643	0.7
189.09099	0.7
195.12242	69.5
200.17410	0.6
203.06953	8.9
204.07280	0.8
207.10051	0.8
207.13771	0.6
215.05586	0.6
229.18018	0.7
235.15338	1.4
253.16414	26.4
270.34418	0.7
311.20578	100.0
312.21017	1.7
327.12131	1.4
329.06439	1.1
349.04843	1.1
401.08844	0.7
490.28711	1.4
491.16171	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
55.01859	0.7
55.05493	1.5
56.05021	0.5
57.03416	0.9
57.07046	1.2
58.99562	1.5
59.04998	0.5
61.02899	1.4
65.64027	0.5
67.05482	1.8
69.03416	35.4
69.07063	2.6
69.77757	2.8
70.06581	2.3
70.06898	0.4
71.04961	1.1
72.08114	0.8
73.02890	0.8
74.34116	0.5
76.02210	3.6
79.05457	2.2
81.03387	1.2
81.07035	4.1
82.06512	0.5
83.04958	2.4
83.08596	1.0
84.08131	3.0
84.85976	0.5
85.02895	9.1
85.06508	2.0
86.09676	1.6
86.99012	0.8
87.04466	0.7
88.03983	2.2
91.05451	1.8
93.07015	3.7
95.04911	0.6
95.08585	5.5
97.02863	3.7
97.06515	2.4
99.04428	0.9
99.08056	0.4
100.02177	0.6
105.00047	1.6
105.07028	2.7
107.04936	1.0
107.08566	10.1
108.27673	0.4
109.02843	1.0
109.06501	3.7
109.10116	1.8
111.08074	2.1
116.07051	0.7
119.08578	3.5
120.08048	1.2
121.06449	1.6
121.10126	10.4
122.02705	22.1
123.04413	0.5
123.08049	2.5
123.11684	6.8
125.09601	17.1
127.03895	2.1
130.08632	3.1
131.04890	0.5
131.08539	5.2
133.10127	4.7
135.08023	9.4
135.11676	5.4
137.09465	0.6
143.08549	0.7
145.04930	1.2
145.07564	0.6
145.10071	2.4
147.08044	0.5
147.11705	2.6
149.09612	8.8
149.13197	3.5
151.11136	1.6
153.09079	5.7
157.99138	0.4
158.10880	2.6
158.80806	0.5
161.09459	0.7
163.11145	2.3
163.14784	3.9
165.12703	3.5
167.05254	1.1
167.10651	2.5
173.13237	18.8
176.11940	0.8
177.05440	0.9
179.01582	0.5
191.14267	58.6
192.14656	1.0
197.09914	0.6
198.11259	0.6
209.15321	100.0
210.15617	1.2
223.04132	1.3
223.11478	3.9
241.12527	6.4
248.05943	0.7
312.08975	0.7
330.17264	12.9
371.75067	0.5
492.22092	1.8
492.31262	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64869	0.6
55.05492	1.1
55.55025	0.6
55.62086	0.5
58.27294	0.6
59.04985	7.3
59.67181	0.7
59.69400	0.6
65.03889	0.6
67.05488	0.9
69.03413	1.5
69.07047	1.1
69.41256	2.3
69.41683	2.6
70.06580	6.4
71.04983	1.3
72.08131	2.4
73.02891	0.9
73.06516	1.4
75.25407	0.6
76.02187	0.8
79.05476	1.1
81.03405	1.2
81.07018	1.1
81.34127	0.6
81.68565	0.6
82.06570	1.3
83.04944	0.7
84.04483	1.1
84.08124	2.5
85.02895	3.6
86.06056	0.7
86.09683	3.8
87.04450	33.8
88.02176	0.7
88.03944	0.7
89.06010	70.9
90.06374	0.6
91.05462	2.8
93.07018	1.8
95.04940	1.2
95.08584	1.3
97.02871	2.3
98.06052	0.7
99.04460	1.3
99.30540	0.6
100.07571	0.9
102.05515	0.7
103.03918	100.0
103.07579	3.7
104.04263	0.9
104.07074	1.2
105.07008	2.3
107.04935	1.1
107.07027	2.6
107.08553	1.9
109.02856	0.6
109.06467	1.0
109.10111	0.7
113.05946	1.0
117.09158	0.8
118.73081	0.5
119.04909	0.8
119.07014	0.8
119.08553	2.6
120.08087	1.9
121.04961	0.9
121.06445	0.7
121.08647	1.4
121.10123	1.2
123.11620	0.8
127.03892	1.4
128.07150	0.7
129.10201	0.9
130.08614	2.2
131.04913	0.8
131.06995	8.4
131.08495	0.7
133.08574	48.3
135.07988	1.0
136.07526	1.5
137.05928	3.3
138.06313	0.8
140.07021	0.7
145.04918	0.9
145.10089	1.7
146.08073	1.6
147.04422	1.7
147.06488	12.7
147.07693	1.0
147.11658	1.4
149.05951	0.9
151.07520	1.8
153.16695	0.6
159.56429	0.7
161.05875	3.2
161.09538	1.0
161.13081	0.7
163.07573	0.8
163.09641	3.2
163.11044	0.9
165.07599	0.7
173.13123	0.6
175.07527	0.8
175.09639	5.1
177.05502	0.8
177.11182	18.8
179.07120	1.0
179.10658	0.8
189.09164	0.9
189.12698	4.7
191.09087	9.0
197.11693	1.8
203.06958	6.1
207.12115	3.7
207.13847	2.7
219.12239	1.6
221.13780	4.7
235.11691	9.0
237.13289	0.7
239.14822	1.5
263.14954	0.7
265.16553	1.2
269.15933	1.0
279.14368	2.0
283.17432	1.6
297.15320	0.7
313.18674	0.8
315.05035	0.6
323.16983	1.5
327.20300	0.9
328.12344	0.7
329.10989	0.8
339.20313	0.8
357.13495	0.7
367.19653	0.8
385.20474	1.2
411.22757	0.7
415.25491	0.8
427.25443	2.4
429.23340	0.8
455.24628	2.4
473.25766	21.3
490.16956	0.9
490.28494	2.5
491.17236	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.3
55.01849	2.8
55.05499	5.8
57.03423	3.7
57.07036	1.0
59.04974	0.9
60.99512	0.8
61.02898	1.0
67.05479	2.4
69.03407	7.3
69.07043	3.9
69.41170	2.6
69.41589	5.2
70.06578	5.9
71.04965	3.6
72.08128	1.8
73.02885	2.8
73.06535	1.3
79.05460	3.4
81.03407	8.0
81.07040	7.6
82.44294	0.9
83.04959	7.2
83.08593	1.3
84.04474	1.0
84.08105	4.6
85.02889	32.8
85.06507	1.8
86.09692	2.4
87.00814	7.0
88.03984	1.5
91.03924	1.1
91.05467	5.2
93.07050	5.0
95.04948	3.9
95.08608	4.4
97.02357	1.1
97.02884	11.5
97.06511	4.7
99.04442	3.6
105.01845	8.1
105.07008	7.3
106.07402	1.0
107.04910	2.0
107.08561	8.8
109.02848	8.7
109.06498	14.6
109.10113	4.3
111.04405	1.1
111.08050	4.9
116.07043	6.1
117.03343	2.0
119.08575	7.7
121.02848	1.4
121.06466	1.5
121.10125	13.2
123.08041	5.7
123.10809	1.4
123.11674	19.1
125.09595	1.6
127.03867	12.9
129.10182	1.4
131.08525	2.9
133.10129	4.8
135.08018	2.1
135.11676	2.5
137.05925	3.6
137.09583	25.7
137.13216	2.1
145.02785	3.1
145.04922	4.2
145.10120	4.3
147.08015	1.3
147.11652	17.4
149.02310	12.3
149.09570	5.8
151.07487	2.6
151.11128	1.2
159.02847	2.5
161.05913	1.7
161.09613	2.3
161.13222	6.2
163.11143	2.9
165.09010	2.3
165.12718	100.0
166.13065	1.2
171.11684	2.7
174.10321	2.8
177.05423	6.1
178.04988	0.9
179.06940	1.0
179.14246	8.2
189.12708	18.5
203.06940	2.4
207.13757	64.1
213.03902	2.1
221.08031	2.0
231.02972	0.9
231.04904	5.3
242.17911	1.6
287.05484	4.1
293.13788	4.8
293.16724	0.8
357.13629	1.1
490.19479	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	490.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	5.2
55.01852	4.7
55.05483	2.7
57.03411	2.6
57.07047	1.5
59.04982	3.7
61.02914	3.2
64.43343	1.4
67.05479	4.2
69.03417	15.1
69.07053	6.4
69.68200	7.0
70.06566	3.8
71.01329	1.6
71.04976	4.3
72.08123	1.3
73.02890	2.8
73.44379	1.2
79.05473	6.1
81.03413	15.4
81.07041	22.7
83.04960	2.6
84.04474	2.6
84.08125	2.7
85.02890	35.1
85.06522	5.4
86.09672	5.4
87.00813	12.8
87.04436	4.5
91.04953	1.6
91.05463	7.0
93.07037	7.6
95.04951	5.5
95.08580	11.6
97.02885	12.2
97.06496	7.2
98.52728	1.2
98.97581	1.3
99.04439	7.3
101.05972	1.4
105.01859	15.8
105.07005	15.1
107.08577	38.0
109.02869	16.6
109.06506	28.8
109.10118	5.3
110.07195	1.3
111.08073	2.6
111.11689	4.3
115.05357	1.5
116.07017	2.3
117.05431	1.7
119.08575	9.0
121.06458	1.5
121.10123	17.6
123.07199	2.5
123.08049	34.9
123.11687	7.3
125.05930	3.9
125.09609	6.3
127.03893	26.8
129.01801	1.8
129.06929	1.6
130.08589	1.8
131.04916	2.4
131.08542	10.3
133.06409	1.9
133.10094	4.3
135.11702	2.7
137.05960	3.3
137.09583	3.9
137.13231	5.9
139.11145	4.1
143.08563	2.0
145.04945	9.3
145.10101	4.0
147.04416	1.9
147.11661	26.8
149.09590	34.4
151.07529	37.1
156.09291	2.9
159.02846	5.1
159.08015	3.5
159.11703	2.8
161.09607	3.1
161.13197	2.7
163.11131	5.2
165.09108	1.6
165.12729	29.0
167.10641	15.3
171.11612	6.6
177.09091	1.7
179.10500	1.4
179.14282	18.7
183.13766	7.4
187.07481	1.4
189.03859	1.5
189.12698	18.0
202.17145	1.3
206.32703	1.3
207.13771	100.0
208.14230	1.6
213.03909	2.3
225.14796	21.2
231.05003	6.2
249.05721	1.6
328.12204	1.4
336.84406	1.3
355.44171	1.3
357.13397	2.0
491.12567	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	490.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88625	0.7
53.03926	1.7
55.01844	2.3
55.05502	15.6
57.07059	0.8
57.07318	0.8
59.04974	2.3
61.02919	1.2
61.09476	0.7
67.05489	4.7
69.03416	4.2
69.07043	2.3
70.06567	2.2
70.50660	1.4
70.51058	1.6
70.53251	0.8
71.04969	2.5
72.08141	1.6
73.02891	1.1
73.06548	8.2
79.05466	3.2
81.03393	3.2
81.07038	5.3
81.68230	0.7
83.04953	3.3
83.08597	1.0
84.04491	0.9
84.05293	1.2
84.08116	1.5
85.02883	8.9
85.06527	2.1
86.06042	1.7
86.09676	1.6
87.00835	1.9
87.04454	4.2
88.04784	1.3
91.05455	4.1
93.07028	6.0
94.07358	1.7
95.04950	3.2
95.08578	3.4
97.02861	4.4
97.06516	2.5
98.06808	0.7
99.04436	2.7
99.08095	0.9
101.06054	0.9
103.05453	0.9
103.75460	0.7
105.01851	3.5
105.03373	6.4
105.07014	6.8
106.07349	2.1
107.04955	1.5
107.08592	5.1
108.08855	1.3
109.02835	2.2
109.06467	2.7
109.10135	3.0
111.04449	0.8
111.08057	2.0
113.09586	0.9
116.10711	2.4
117.06990	1.4
119.04959	1.0
119.08537	6.7
120.08076	1.3
120.08892	1.0
121.02834	1.8
121.06458	1.2
121.10174	4.0
122.06860	0.8
123.04390	1.8
123.08046	10.2
123.11595	0.8
125.05992	1.0
125.09542	0.7
127.03918	8.0
129.01823	0.6
129.05453	2.6
129.06961	1.5
130.05812	1.3
130.08665	1.2
131.08565	3.5
133.04951	2.1
133.10144	4.5
134.10472	1.3
135.08020	2.0
135.11664	1.5
136.05211	1.0
137.05948	2.1
137.09586	1.3
139.07523	1.7
145.04942	1.8
145.06448	0.8
145.10081	2.9
146.08017	0.8
147.08046	1.6
147.11656	4.6
148.12021	2.6
149.02316	100.0
149.09642	1.2
150.02544	1.0
151.07535	4.0
151.11137	1.3
157.04977	5.5
157.06212	1.3
158.05292	2.9
158.10400	0.8
159.02866	1.2
161.05922	4.7
161.09558	1.2
161.13187	0.9
163.11157	2.1
165.09074	1.4
165.12726	2.4
166.13113	0.9
167.03375	1.3
167.10593	1.1
171.11702	1.6
173.09636	1.1
175.05998	7.2
175.07527	11.1
175.11171	2.0
175.14807	2.1
176.06335	2.7
176.11461	1.3
177.05423	1.2
181.12158	0.8
189.12769	3.7
193.12207	3.4
194.12515	4.0
203.06989	16.6
207.10147	2.8
207.13707	5.5
208.14207	1.0
211.13251	1.4
212.13539	1.6
218.12579	1.9
221.08052	6.7
223.16895	1.1
225.11224	5.1
225.14746	7.5
231.05038	1.3
235.13170	0.8
236.03146	0.8
236.13480	1.0
242.18365	1.2
275.12692	6.0
293.13779	53.4
350.16846	0.9
357.13272	1.5
457.64786	0.8
473.20071	1.4
490.26550	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	490.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.6
53.03929	0.6
55.01859	0.9
55.05481	1.2
56.05005	0.8
56.18459	0.6
59.04989	1.0
62.77333	0.6
65.03909	1.0
65.30725	0.6
67.05489	1.3
69.03406	1.5
69.07044	1.8
69.58411	4.6
70.02930	1.9
70.06579	7.0
72.08137	3.4
74.02424	5.2
79.05460	1.3
80.04971	0.7
81.03388	3.2
81.07027	1.7
82.43604	0.5
83.04941	1.1
84.04496	0.8
84.08131	4.2
85.02903	3.8
86.09690	8.9
87.04437	2.0
88.02199	0.7
88.03975	9.8
89.06004	2.0
91.05468	7.7
93.07014	1.7
94.06497	0.8
95.04968	1.5
95.08608	0.7
97.02861	1.7
97.06483	1.0
99.04465	0.9
100.07605	1.3
103.05432	2.1
105.01855	0.6
105.07013	2.6
107.04919	2.7
107.08590	1.0
109.02850	2.5
110.07135	1.6
112.18893	0.6
116.03429	2.9
117.03297	0.6
119.04929	13.3
119.08560	1.4
120.04420	1.3
120.08079	1.2
121.06490	2.0
121.10092	0.8
122.02644	0.7
122.06005	0.9
123.04402	2.0
124.07575	0.6
127.03860	1.6
128.06161	0.6
129.10220	1.1
130.08627	3.5
131.04868	2.8
131.41324	0.6
133.06487	1.0
133.08614	0.7
134.03511	1.2
134.04466	16.5
134.05966	0.7
135.04391	0.7
135.07964	0.7
136.07544	5.2
137.05962	14.5
138.05403	0.8
138.06303	1.9
141.06534	0.7
143.04968	0.7
145.02779	0.7
145.04958	0.7
145.06509	0.6
146.05972	0.7
147.04384	55.5
147.08025	1.0
149.05952	2.6
149.09552	0.8
151.03845	1.3
151.07500	3.3
156.07677	1.8
156.35970	0.6
160.05289	0.7
161.05957	36.5
162.06657	0.9
163.07486	2.7
164.07088	0.6
165.05452	5.3
165.06989	2.2
166.04938	1.8
171.11501	0.7
173.05919	0.8
174.06775	0.7
175.07516	4.9
177.05394	4.3
177.11235	0.9
178.07600	0.7
179.07028	3.4
179.08414	0.7
180.07634	0.9
182.08205	4.4
188.04692	3.1
189.09010	0.6
189.12659	0.9
191.06960	2.9
193.06461	2.6
194.07210	2.0
195.08023	0.8
201.05559	0.8
203.06990	100.0
204.07314	2.2
205.06552	0.9
205.08569	1.2
206.06865	0.8
207.08081	1.3
207.13748	1.7
210.06746	2.1
211.07460	0.9
215.07051	1.3
219.07974	0.8
221.05966	4.6
222.06664	2.5
224.08345	1.1
225.09052	4.5
233.08054	8.7
235.07605	1.3
237.05583	0.6
237.09077	2.8
238.06190	0.8
239.10631	0.9
240.07735	0.6
250.06302	1.9
251.07057	1.2
252.07576	0.8
253.08597	7.5
253.12787	1.7
253.16287	0.7
254.09161	0.7
265.08502	8.2
266.09399	0.8
267.10153	4.9
268.08008	1.1
271.09650	0.9
272.09033	0.6
275.07028	1.4
277.08524	2.0
279.09915	0.9
282.08771	0.9
282.81067	0.7
285.11145	13.4
290.10013	0.9
291.08591	2.1
292.07156	3.4
295.09525	3.6
297.11163	7.6
298.11484	1.4
307.09567	6.3
309.10950	2.7
311.20584	1.2
312.09641	0.9
315.12070	3.0
318.09659	3.2
321.11011	1.2
327.12207	42.5
328.12366	1.3
328.23120	0.6
330.09238	0.6
336.10712	9.3
339.12210	9.4
357.13254	7.1
361.13922	1.2
396.14410	0.7
414.14850	0.8
442.14899	2.7
460.16113	5.4
460.79236	0.6
472.15335	0.7
490.16205	1.4
490.27707	1.1
492.89050	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.01866	0.5
56.05027	0.7
57.03416	1.0
59.04992	9.0
61.14478	0.4
61.49145	0.4
65.03916	0.9
67.05479	1.1
69.03416	1.5
69.07043	0.5
69.81483	0.4
70.02941	3.2
70.06584	3.5
71.01327	1.2
71.53991	0.4
72.08130	1.5
74.02431	4.9
74.06045	0.4
79.05492	2.1
79.38796	0.3
81.03398	0.9
81.07049	0.9
82.06548	0.8
83.04977	0.5
84.04488	1.0
84.08135	4.0
84.74574	0.4
85.02898	2.4
86.06049	0.7
86.09702	3.7
87.04439	1.5
87.10021	0.5
88.03979	11.5
88.04529	0.6
89.03896	0.6
89.06019	12.5
90.05511	0.5
91.05465	10.8
92.96855	0.4
93.03387	0.4
93.07023	1.5
94.06542	0.6
95.04932	1.7
95.08630	0.4
96.08170	0.4
97.02888	1.8
99.04431	0.6
100.07591	0.4
102.05517	0.4
103.05456	1.6
103.07573	1.9
104.04944	0.4
104.07104	0.7
105.07009	1.9
106.92135	0.4
107.04936	6.5
107.07037	0.7
107.08559	0.7
109.02907	0.7
109.06480	0.4
109.10106	0.4
110.07147	1.0
112.08721	0.4
115.05421	0.5
116.03461	3.1
117.03325	0.8
117.05458	0.6
117.06994	0.6
117.09055	0.5
119.04926	8.0
119.08555	0.7
120.08086	0.8
121.06457	3.0
121.10109	0.8
122.02711	0.5
123.04389	0.9
123.08040	0.8
124.07555	0.8
127.03900	1.5
129.06926	0.4
129.10240	0.8
130.04961	0.5
130.08638	2.5
131.04909	1.7
131.08496	0.4
132.02911	0.9
133.02834	1.1
133.06418	0.7
133.08556	4.2
133.10114	0.8
134.03508	0.8
134.04463	11.4
135.04358	1.9
135.07997	0.4
136.05199	4.2
136.07547	0.9
137.05966	4.7
138.06285	0.7
142.08548	0.4
145.02809	2.1
145.03809	0.5
146.03615	0.5
146.08163	0.5
147.04422	4.4
147.08037	1.1
149.02280	0.7
149.04878	0.5
149.05933	2.0
149.09570	0.8
151.03825	0.8
151.07518	14.5
151.09608	1.4
153.05399	0.6
159.07976	0.4
160.05173	1.1
161.05956	42.9
161.11757	0.5
162.05455	1.4
162.06610	0.4
162.09125	0.4
163.03865	2.4
163.07494	1.6
164.04680	1.0
164.06979	0.7
164.09245	0.6
165.05495	3.1
165.06772	0.8
166.08656	0.5
167.07043	1.2
175.07515	5.3
176.06992	0.5
177.05449	8.2
177.06894	0.3
177.11194	1.5
178.04967	6.5
179.07007	7.1
180.07777	5.0
181.08580	0.5
182.08224	0.4
184.03120	0.3
185.76863	0.4
188.04617	0.7
189.12694	0.7
191.06908	0.5
191.08530	0.4
192.06529	0.5
195.08086	0.8
195.12233	9.3
203.06998	100.0
204.07156	1.5
205.06682	0.4
205.08505	1.0
207.13805	0.7
209.09520	0.6
210.98515	0.5
215.13887	0.5
221.06012	0.8
221.07973	0.4
223.04150	0.4
223.07541	1.0
224.16258	0.5
225.09035	0.7
233.07971	0.9
237.09070	0.5
240.07768	0.9
250.07143	0.9
251.07002	1.1
253.08607	1.1
253.16391	3.2
254.08131	0.6
255.10207	1.2
265.08487	1.2
267.10278	0.8
268.08136	4.3
272.09076	1.8
283.09586	1.4
285.10892	0.7
290.10175	0.7
292.07239	0.7
295.09592	0.5
297.11215	1.5
307.09546	0.6
309.11444	0.5
310.08868	0.4
311.09164	0.5
311.20596	15.1
314.15631	0.7
315.12204	5.3
318.09790	1.3
325.10745	0.7
327.12247	3.6
328.15665	0.4
336.10721	1.2
339.12177	1.1
357.13199	8.9
426.15494	2.1
442.14871	0.5
460.16055	0.5
490.19891	0.5
490.28287	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3566
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
50.06809	0.4
51.02360	0.7
51.83665	0.4
52.34942	0.5
53.03931	1.5
55.01853	0.8
55.05502	10.2
57.03434	3.0
57.07053	1.8
58.41968	0.7
59.04980	1.9
65.03915	2.1
67.05495	59.1
69.03398	0.9
69.07059	8.5
71.04978	2.3
73.02885	0.7
79.05006	0.7
79.05478	18.6
81.07043	27.0
82.48302	0.6
83.04961	1.0
83.08611	6.7
85.06526	2.1
89.24866	0.5
91.05466	13.6
93.07027	23.4
95.04966	2.8
95.08590	17.9
97.06508	1.4
97.10154	2.0
99.08104	0.7
101.06049	0.6
105.07014	13.7
107.08579	13.3
109.06503	1.2
109.10138	36.3
110.10455	0.7
111.08067	2.7
117.06992	5.2
119.08561	15.8
121.10130	11.3
123.08041	1.0
123.11689	2.1
125.09623	1.0
128.06229	0.7
129.06970	2.8
131.08531	9.5
133.10101	10.7
135.11671	6.7
137.09616	1.9
139.11180	1.1
143.08562	2.1
145.10094	9.2
147.11670	7.0
149.13237	3.1
155.08537	1.0
155.10651	1.3
157.10098	3.3
159.11667	6.8
161.13225	4.8
163.14790	0.9
171.11652	3.4
173.11729	9.3
173.13264	5.5
175.11234	0.6
175.14832	1.7
181.10115	1.2
183.11690	1.8
185.13258	3.0
187.14825	1.6
197.13271	1.5
199.14827	1.7
201.16383	1.3
211.14845	1.3
213.16455	1.2
223.14799	0.6
225.16458	0.8
231.17372	0.6
243.21033	1.4
259.20679	1.0
261.22198	4.4
271.20627	0.8
273.22144	1.4
285.22086	1.5
289.21616	0.8
299.23587	1.3
303.23093	0.6
317.24792	1.4
369.31314	0.8
377.26749	1.0
379.29959	4.9
391.28070	0.9
397.31030	7.8
415.32025	1.8
433.32922	0.9
471.34644	7.7
489.35703	100.0
490.35773	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	489.3568
Annotation	Cimigenol
Peak:m/z	Relative Intensity
53.03939	2.2
55.01862	1.4
55.05499	12.0
57.03420	3.7
57.07062	3.0
59.05001	1.8
65.03928	2.0
66.22891	0.7
66.51128	0.7
67.05495	49.3
69.07060	11.4
71.04980	3.1
79.05482	19.3
81.07044	32.1
82.07333	0.8
83.04962	1.8
83.08597	6.0
85.06532	1.5
87.04481	0.8
91.05466	17.2
93.07027	27.5
95.04959	2.8
95.08591	19.2
97.06539	2.5
97.10149	3.3
99.08107	0.7
105.07013	19.9
107.08575	14.6
109.06559	0.9
109.09386	1.2
109.10136	24.5
111.08103	2.0
111.11716	0.8
115.05464	1.0
117.07003	6.2
119.08564	22.3
121.10126	13.3
122.10618	0.8
123.08049	1.6
123.11694	2.5
125.09619	1.5
129.06943	4.0
131.08543	12.0
133.10117	12.6
135.08000	1.1
135.11661	6.7
137.09610	2.1
139.11147	1.6
141.06995	1.1
142.07762	1.1
143.08531	5.0
145.10097	10.9
147.11665	9.6
149.09612	0.8
149.13258	4.1
155.08556	1.9
155.10620	1.2
157.10139	5.8
159.11681	10.7
161.13263	5.8
161.14511	1.1
163.14828	2.0
169.10136	2.5
171.11682	4.1
173.11723	6.7
173.13266	7.6
175.14813	2.2
183.11693	2.4
185.13274	3.7
187.14816	3.6
189.16417	1.6
197.13287	2.9
199.14807	2.8
201.16434	1.3
211.14828	1.8
213.14771	1.9
213.16495	1.6
225.16357	0.9
229.14395	0.9
243.21056	1.7
253.19527	0.9
255.21407	0.8
257.19009	0.8
259.20523	1.4
261.22168	3.1
271.20404	0.9
273.22162	1.1
276.93802	0.7
285.22211	2.4
291.22995	0.8
299.23679	2.0
315.23074	1.2
317.24768	1.6
377.26581	1.9
379.30023	6.1
391.28198	0.9
397.31021	9.8
415.31967	3.4
433.33389	1.7
471.34689	11.2
485.88019	0.9
489.35706	100.0
490.35959	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	489.3564
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
53.03926	2.4
54.12958	0.8
55.01846	1.1
55.05500	13.2
57.03415	2.3
57.07056	2.7
59.04973	1.8
65.03939	1.0
67.05492	59.2
69.03422	1.3
69.07053	10.9
71.04968	2.7
79.05052	1.4
79.05480	21.1
81.06570	1.9
81.07039	31.0
83.08607	7.1
85.06493	0.9
91.05458	16.3
93.06456	1.7
93.07024	24.0
95.04949	3.2
95.08596	18.4
97.06502	2.4
97.10162	3.3
103.05444	0.8
104.11089	0.9
105.07004	16.1
107.08566	12.6
109.10132	32.7
111.08089	1.7
117.06992	5.0
119.08565	18.2
121.10103	10.9
123.08042	1.5
123.11690	3.1
123.37489	0.8
125.09612	1.4
129.07008	2.4
130.08688	1.0
131.08543	10.9
133.10097	11.7
135.11659	6.0
137.09610	1.3
137.13242	1.1
139.11194	1.9
141.06929	1.3
142.07675	0.9
143.08548	4.5
145.10091	11.2
147.11665	9.8
149.13223	3.7
155.08543	2.8
155.10666	1.5
157.10117	4.2
159.11644	8.2
161.13191	5.0
163.14790	1.6
169.10162	2.3
171.11620	4.3
173.11723	10.6
173.13254	5.5
175.14873	1.3
179.14162	0.9
183.11653	1.9
185.13217	4.1
187.14783	2.7
189.16400	0.9
193.08490	1.5
197.13264	3.1
199.14775	2.0
201.16287	1.5
213.16460	1.4
259.20612	1.1
261.22144	2.6
271.20410	0.9
282.36050	0.9
285.21994	1.1
291.23148	1.0
377.26825	1.2
379.29971	4.7
397.31006	9.2
407.28149	1.0
415.32153	2.9
433.33096	1.3
435.32300	1.2
453.33981	1.0
471.34735	7.1
489.35703	100.0
490.36026	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	489.3565
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
50.86195	1.2
51.82101	1.2
52.41251	1.0
53.03923	2.2
55.05495	12.8
57.03422	2.6
57.07052	1.8
63.53404	1.0
64.08511	1.0
65.03924	1.3
67.05492	44.7
68.26480	1.1
69.07053	12.3
70.05025	1.1
71.04968	3.2
71.08597	1.4
71.55244	1.4
75.59091	1.2
79.05475	19.5
81.07041	29.8
81.14032	1.1
83.04955	1.5
83.08595	5.4
85.06542	1.6
91.05454	20.0
93.07024	23.6
95.04939	3.2
95.08585	19.8
97.06498	3.0
97.10138	3.6
105.07008	18.8
107.08575	16.0
109.06492	1.7
109.09448	1.7
109.10137	22.8
111.08043	1.3
117.07013	6.1
118.98000	1.1
119.08560	21.4
119.86378	1.0
121.10129	12.9
123.11686	2.3
128.40050	1.0
129.06973	3.5
131.08540	14.4
133.10098	14.9
135.11674	8.9
139.11157	2.4
143.08568	3.6
145.10106	11.6
147.11652	10.6
149.13245	5.0
155.08530	1.7
157.10106	4.3
159.11659	9.1
161.13232	4.3
169.10094	2.6
171.11639	5.4
173.11710	6.8
173.13245	8.4
175.14713	2.0
183.11650	3.2
185.13200	4.0
187.14825	3.3
188.92424	2.4
189.16467	1.7
197.13295	2.3
199.14812	2.5
200.00218	1.4
213.14825	2.6
215.17807	1.4
225.16400	1.6
243.21080	1.5
259.20465	2.2
271.20657	1.7
285.21759	1.3
289.21460	1.7
299.23727	1.6
301.21695	1.4
335.16510	1.5
379.29810	8.5
397.30951	12.1
415.32095	2.8
429.93182	1.2
471.15894	3.2
471.34659	9.6
489.35681	100.0
490.35901	4.2
504.73886	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	3.4
56.05020	0.9
56.30531	0.2
70.27211	0.9
74.02418	2.5
79.89417	0.3
80.04990	0.3
81.93784	0.2
82.06563	18.7
83.06922	0.2
84.08125	0.7
91.67402	0.2
100.07594	16.1
123.53265	0.2
128.07059	8.6
130.08592	0.4
136.07506	0.3
146.08089	100.0
147.04391	0.2
147.08397	0.8
176.26534	0.2
182.08043	0.5
218.59790	0.2
253.69653	0.2
258.13083	0.3
428.20984	0.3
488.10138	0.7
488.18097	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64554	1.1
53.03934	4.5
55.01857	7.0
55.05501	15.6
56.89816	1.3
57.03411	2.2
57.07063	1.2
59.04991	15.2
61.02904	4.1
65.03913	2.1
67.05493	16.0
68.05022	1.2
69.03423	12.0
69.07053	7.9
69.65802	3.8
69.66229	4.5
70.06572	5.4
71.04984	11.9
72.08152	2.9
73.02918	2.3
73.06530	3.3
79.05470	15.8
81.03389	4.2
81.07046	31.4
83.04965	24.7
83.08595	6.3
84.04488	3.2
84.08138	2.1
85.02889	13.2
85.06526	6.3
86.09684	5.1
87.00800	2.1
87.04454	40.6
88.03938	1.2
89.06003	2.2
91.05467	17.4
93.07025	46.5
95.04956	12.9
95.08589	18.4
97.02878	11.3
97.06520	10.8
99.04449	7.4
99.08087	1.9
101.05994	2.5
103.03910	2.4
103.07539	2.3
105.01856	1.8
105.03389	3.0
105.04526	1.2
105.07011	46.0
107.04918	4.9
107.08584	30.6
107.86137	1.2
109.02833	3.6
109.06502	17.5
109.10127	9.1
110.06001	1.2
111.04416	1.7
111.08070	13.7
113.05993	2.1
115.03901	6.9
116.07146	1.1
117.05441	5.6
117.07003	3.6
118.03067	1.2
118.05801	1.5
118.43262	1.1
119.04906	4.1
119.08558	25.5
120.08107	1.3
120.84452	1.1
121.06483	14.9
121.10130	13.3
123.04374	2.8
123.08090	6.5
123.11677	5.2
124.07623	1.5
125.05961	4.8
125.09657	3.1
127.03876	4.8
127.07509	2.2
128.06088	1.3
129.05466	27.4
129.06975	4.5
131.07007	1.7
131.08553	7.7
133.04962	19.6
133.05898	1.6
133.06461	3.0
133.10112	24.1
135.04396	2.5
135.08038	16.5
135.11653	4.3
137.05988	7.0
137.09570	6.0
137.13258	2.3
139.07498	7.1
142.07733	3.1
143.03438	2.3
143.08511	3.8
145.04930	2.4
145.06465	2.1
145.10086	9.5
147.06523	7.8
147.07970	6.1
147.11668	52.3
149.02316	24.3
149.05884	1.8
149.09573	2.9
149.13229	2.9
151.07509	4.5
151.11134	3.6
153.09050	2.0
156.09331	2.5
157.04939	63.8
157.10089	9.7
159.08006	1.8
159.11630	2.4
161.05956	4.6
161.09555	2.7
161.13228	4.6
163.07516	1.8
163.11113	2.5
165.07089	1.4
165.09119	3.8
165.12727	20.6
167.06981	1.4
167.10562	1.3
169.04903	2.4
171.11632	6.6
173.09602	3.4
173.13246	2.9
175.06004	100.0
175.07439	4.9
175.11151	26.5
175.14713	2.8
179.10657	1.5
189.12694	11.3
193.12210	69.2
194.12547	2.2
199.11140	7.9
203.07030	5.4
203.14229	1.5
205.15858	2.8
207.10187	1.4
207.13733	6.0
211.13243	22.9
217.12207	21.5
221.08025	2.6
221.15314	3.8
223.13293	1.3
223.16869	6.1
225.09052	1.4
225.11118	2.0
235.13249	17.7
241.14236	2.0
241.17914	10.0
253.08604	1.7
253.14270	7.8
267.12244	2.8
275.12686	2.5
293.13800	12.6
295.18893	1.8
307.15344	1.7
313.20013	2.1
321.16891	1.6
327.12167	3.2
331.15411	3.5
349.16296	5.9
356.12085	1.7
367.17355	2.1
448.64706	1.5
489.17807	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	487.362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.2
54.83396	1.5
55.01842	2.6
55.05502	46.8
56.06532	1.3
57.03429	28.1
57.06794	2.6
57.07067	45.9
59.04975	2.5
65.03934	2.4
67.05493	54.7
69.07056	76.2
70.12530	4.4
71.04980	3.3
71.08619	34.6
73.06544	2.4
74.09692	2.3
74.70985	1.2
75.04481	9.3
79.05479	26.7
81.07041	80.1
83.04962	4.7
83.08604	52.3
85.06525	5.3
85.10167	15.8
91.05468	6.4
93.07026	34.5
94.89323	1.5
95.04978	2.0
95.08591	79.0
97.06515	18.4
97.10153	35.6
99.08054	2.4
101.05975	2.8
105.07021	3.3
107.08577	25.0
109.10130	38.6
109.23299	1.3
109.57724	1.5
111.08070	9.6
111.11697	11.5
113.06005	4.2
113.09637	2.0
113.13257	1.7
115.07538	3.3
119.08582	3.8
121.10122	35.4
121.10928	2.4
123.08059	1.3
123.11683	16.2
125.09600	11.1
125.13221	2.2
129.09100	4.1
131.07034	8.2
133.10136	2.9
135.11659	29.7
137.13216	6.6
139.11136	8.7
143.10658	2.7
147.11679	3.2
149.13239	16.1
151.14819	2.8
153.12732	7.1
157.12242	3.0
163.14793	9.8
165.16338	3.2
167.14291	5.0
171.13780	2.8
176.16328	1.3
177.16373	6.1
179.17891	1.7
181.15848	4.5
185.15276	1.5
191.17973	3.2
195.17427	2.8
205.19562	3.0
207.17349	1.7
209.19069	1.8
221.19022	2.0
223.20506	3.6
227.20093	2.2
233.22601	2.0
237.22189	2.4
252.42993	1.3
275.27225	7.7
275.45840	1.4
293.28326	15.4
303.26755	9.7
315.66495	1.7
321.27820	25.7
339.29053	2.6
357.29919	100.0
358.30106	2.7
395.31488	54.0
396.31882	2.4
413.32553	78.0
414.32822	2.5
469.35156	36.3
487.36270	94.4
488.36618	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	488.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.6
54.47571	0.3
55.01863	0.6
55.05496	1.0
56.05032	0.6
57.03436	0.5
59.04979	0.9
60.04506	0.4
65.03919	1.8
67.05503	1.0
69.03420	2.0
69.07047	1.1
69.82504	1.3
69.82925	0.8
70.06583	5.9
71.04976	1.7
71.06896	0.5
72.08131	2.3
73.02905	1.6
74.02440	0.4
74.06078	0.3
76.02213	0.4
79.05477	0.7
80.04989	0.4
81.03398	5.9
81.07040	1.2
82.06561	1.1
83.04947	0.7
84.04492	2.0
84.08130	4.2
85.02896	3.3
85.06502	0.5
86.06049	1.1
86.09207	0.6
86.09690	7.2
87.04447	4.4
87.10011	0.5
88.02200	0.7
88.03955	0.4
89.05999	1.6
91.05479	2.0
93.07005	1.4
94.06569	0.5
95.04942	3.0
95.08576	0.9
97.02860	2.5
97.06482	0.4
98.21449	0.4
99.04433	1.7
100.07582	0.9
101.05994	0.8
102.05530	0.7
103.03916	1.2
105.07024	1.0
107.04900	0.5
107.08582	1.0
108.08140	0.3
109.02856	3.5
109.06499	0.4
109.10128	0.8
110.07146	0.7
111.04408	1.9
113.05988	1.1
116.07059	1.0
117.05458	0.7
118.06528	1.6
119.04921	0.7
119.08562	1.0
120.08064	1.3
121.02845	66.2
121.10128	0.7
122.03270	0.5
122.05994	0.4
126.05482	0.4
127.03886	2.8
128.06168	0.4
128.07057	0.6
129.10190	2.0
130.08641	2.6
131.07028	0.5
131.08513	0.5
132.01129	0.5
132.04425	5.3
132.10217	0.6
133.08565	0.8
133.10101	1.0
135.08028	0.6
135.11694	0.4
136.03920	0.8
136.07535	1.7
137.05957	2.8
139.03877	6.9
145.04936	1.1
145.08685	0.4
145.10062	0.7
146.06018	0.5
146.07979	0.4
147.04387	1.4
147.08011	0.4
147.11588	0.4
148.63953	0.4
149.05933	0.5
150.07716	0.7
154.08525	0.5
155.11775	0.4
156.10211	0.4
160.03871	0.7
161.05983	0.6
161.13242	0.4
163.11266	0.4
164.07018	7.6
167.06970	0.4
169.04993	0.4
177.05438	0.9
178.04961	56.4
179.05357	0.7
179.06952	0.9
182.08110	5.6
183.06546	0.6
187.07336	0.5
187.14595	0.4
193.08589	0.4
199.17929	0.4
200.13876	0.8
201.05292	0.4
203.06999	0.7
206.04446	100.0
207.04761	1.8
212.07297	1.1
213.07655	0.8
228.05026	0.6
228.13361	0.9
241.09795	0.4
265.07010	6.8
283.08026	3.1
284.08878	0.4
300.15619	0.5
309.19189	0.5
313.10504	0.5
318.95728	0.4
327.12213	0.5
355.11499	0.8
435.21954	1.0
488.10773	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	488.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.2
55.01856	0.5
57.06784	0.3
57.07065	5.0
61.02903	0.4
65.03925	0.6
68.99769	0.2
69.03416	1.1
69.95248	0.9
71.04984	0.3
73.02908	0.3
76.85785	0.1
81.03397	1.4
85.02887	2.9
87.00815	1.2
97.02862	1.6
99.04447	0.7
105.01846	0.6
108.04459	0.4
109.02836	1.2
117.01807	0.3
121.02856	1.8
121.03774	0.2
126.05454	0.2
127.03890	1.7
129.01814	0.2
134.27531	0.2
145.04929	0.7
149.02309	100.0
150.02620	0.9
159.02820	0.8
167.03369	7.4
190.04971	0.4
203.23473	0.2
205.08571	1.8
213.03769	0.2
223.09605	22.1
224.09891	0.2
248.07623	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.9
55.01858	1.7
57.03416	2.2
69.03420	13.8
70.06564	2.5
70.49483	1.3
71.04989	4.5
72.08113	1.5
75.39855	0.6
81.03400	16.3
84.08111	1.9
85.02909	3.2
86.09690	3.0
89.05446	0.6
91.05468	1.3
93.06989	0.8
95.04928	1.1
97.02861	1.0
99.04446	7.9
110.07136	1.2
112.14085	0.7
113.41202	0.6
114.14491	0.6
117.05505	1.6
117.14603	0.5
118.06523	1.9
127.03845	0.8
142.90958	0.7
145.07582	4.5
147.09116	5.9
149.09596	0.8
162.07881	1.1
163.08649	1.1
173.07104	8.1
175.08638	5.6
191.08121	100.0
192.08421	1.5
205.09689	0.7
225.17229	0.7
233.09113	1.0
271.10867	0.7
289.11832	1.6
307.12827	26.4
325.13879	84.1
326.14093	1.1
476.33466	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42297	0.3
52.57699	0.2
52.58279	0.2
53.03919	0.8
55.01858	0.5
55.05489	0.5
56.01705	0.2
56.05020	0.4
56.17971	0.2
57.03429	2.6
60.04506	0.7
61.02912	2.1
67.05492	0.4
69.03414	7.1
69.07050	0.6
70.06573	4.4
70.23757	1.1
71.01331	0.6
71.04973	1.2
72.08143	1.6
72.17126	0.3
73.02897	1.7
75.04456	0.5
79.05470	0.3
81.03397	2.7
81.07040	0.3
82.06570	0.5
82.62141	0.2
83.04971	0.4
84.04487	1.5
84.08124	4.5
85.02888	7.2
85.08451	0.6
86.09693	3.6
87.04431	0.8
88.02177	0.5
88.03957	0.6
90.05540	0.4
91.03989	0.3
91.05439	0.7
93.07004	0.4
95.06139	0.3
97.02891	2.7
99.04439	1.8
100.07587	0.4
101.02385	0.3
101.07082	0.4
102.05521	0.6
105.06992	0.4
106.05014	0.3
109.02874	1.2
110.07108	0.7
111.04455	0.2
111.51906	0.3
115.08650	0.3
117.05450	0.5
118.06531	0.3
119.04906	0.4
119.08513	0.3
120.08054	0.6
121.06476	0.4
121.10170	0.3
123.08031	0.3
124.07587	0.3
126.05468	0.4
127.03023	0.3
127.03894	1.5
129.06602	0.3
129.10231	2.5
129.23209	0.2
130.04985	0.5
130.08615	0.9
132.06854	0.2
135.04527	0.3
136.07529	0.7
137.05983	0.6
140.07021	0.3
145.04979	0.5
145.06569	0.4
145.07533	1.8
146.08260	0.6
147.09140	46.4
148.09492	0.6
152.06990	0.3
155.08456	0.2
159.09155	1.3
160.09950	0.5
161.10765	0.3
173.07121	0.6
176.98439	0.3
177.05418	0.6
185.10721	0.7
186.12331	0.3
189.10248	0.6
191.08115	49.4
192.08507	0.7
205.04852	0.3
209.02602	0.4
213.10214	0.5
215.11844	0.3
219.11339	0.4
225.09988	0.3
233.09306	0.3
263.11154	0.4
263.13821	2.5
281.14899	32.3
282.15073	0.4
289.11798	0.7
307.12805	5.6
325.13867	100.0
326.14197	1.7
332.12106	0.3
393.20895	0.9
443.20178	3.4
454.43979	0.3
487.02469	0.3
487.19034	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	486.3935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	3.2
57.07067	17.4
67.05492	4.0
69.07060	5.9
69.88709	4.5
70.47517	0.8
71.08627	10.4
79.05489	1.4
81.07045	5.9
83.08593	3.3
85.10156	6.4
87.04460	9.0
88.14773	0.7
88.63315	0.8
91.05469	2.3
93.07033	2.3
95.08593	6.3
97.10149	3.4
98.21558	0.8
100.19286	0.9
105.07001	1.5
107.08572	3.8
109.06477	1.0
109.10139	5.0
111.04459	0.8
111.11697	2.1
111.36460	0.7
117.07008	1.2
118.03531	0.8
119.08559	2.9
121.06477	2.0
121.10142	2.0
122.07285	1.5
123.11698	0.9
131.08580	2.0
133.10159	1.2
135.08052	4.5
135.11679	0.9
137.05998	1.0
137.09598	9.5
139.07535	1.3
145.10100	1.6
149.09608	11.1
151.07535	2.0
154.80104	0.9
157.10251	0.9
159.11697	2.4
162.06731	1.1
163.07506	2.0
163.11139	16.2
164.08340	2.5
165.09085	89.8
173.09612	3.0
173.13223	1.8
175.11145	5.1
177.09073	11.8
177.12698	1.3
180.10213	1.4
186.10464	1.0
187.11200	2.1
189.12598	1.2
191.10609	8.9
201.12704	2.8
203.10617	1.7
203.14354	1.2
205.12210	11.4
215.14320	1.4
219.13785	4.8
233.15366	2.6
247.16853	1.5
261.91156	0.8
271.47919	0.9
275.20035	1.1
282.60074	0.9
299.68649	0.9
303.23083	1.4
331.26123	0.9
373.31064	1.1
401.33954	2.1
411.36285	1.4
429.37216	100.0
430.37735	5.0
444.38745	0.9
486.39154	3.3
486.47601	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	486.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	1.8
56.05014	2.4
57.03418	5.9
59.04958	1.8
60.04506	2.0
61.02911	6.2
69.03418	8.8
71.01328	1.8
71.53250	1.7
72.08138	1.6
73.02906	19.1
76.28542	1.6
81.03416	2.0
84.04488	58.4
84.08122	12.5
85.02889	5.6
96.04464	7.1
97.02876	14.2
98.06016	3.4
112.90431	1.9
115.03880	8.5
126.05491	86.7
127.03857	1.9
130.08592	15.2
131.41786	1.6
133.04900	2.1
138.05472	51.6
144.06564	11.7
147.22827	1.8
163.98633	2.0
168.06531	19.2
186.07556	11.3
204.08635	100.0
209.56561	1.8
211.05963	3.4
222.09683	23.3
240.04897	1.8
261.46216	1.6
336.09143	5.5
336.12811	16.7
354.10101	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	486.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.6
55.01862	0.3
55.05490	0.7
56.05022	0.2
57.03432	0.3
58.63983	0.2
59.04985	0.2
61.02898	0.4
65.03917	0.5
66.04701	0.3
67.05479	0.6
69.03412	0.8
69.07045	0.7
70.01399	0.9
70.06587	0.3
71.04971	0.3
72.08157	0.2
73.02903	1.8
76.04085	0.2
76.64435	0.2
79.05477	14.9
80.05814	0.2
81.03416	0.6
81.07039	100.0
82.07359	0.9
83.08619	0.3
84.04485	1.0
84.08122	0.9
85.02885	1.4
86.09704	0.4
87.00790	0.3
87.04465	0.3
90.86540	0.2
91.05448	0.3
93.07030	0.7
95.04946	0.6
95.08604	0.8
97.02881	0.7
99.04442	0.4
100.11256	0.4
101.05953	0.2
105.01893	0.4
105.07020	0.5
107.08581	0.7
109.02847	0.5
109.10138	0.3
115.03957	0.3
119.08570	0.8
120.59136	0.2
121.10139	0.7
122.02417	0.2
123.11677	0.3
126.05471	0.4
127.03864	0.5
130.05009	0.2
130.08611	0.7
131.08539	0.3
133.10155	0.3
135.08107	0.3
135.88242	0.2
137.06013	0.2
137.09711	0.3
144.06512	0.3
145.04927	0.5
145.10107	0.4
147.11635	0.3
159.11690	0.3
162.07632	1.1
173.67946	0.2
177.05400	0.2
182.15413	0.2
203.10631	3.4
203.17973	0.2
204.08575	0.4
204.18520	0.2
208.13353	0.2
211.14876	0.2
214.13443	0.2
237.02786	0.5
240.05112	0.7
249.06108	0.3
252.04910	0.2
288.07074	0.2
289.23648	0.3
315.13254	0.4
318.08234	0.4
336.09180	0.9
350.28000	0.2
354.10287	0.7
399.51694	0.2
401.47678	0.2
450.98984	0.2
486.08032	0.3
486.14301	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02148	1.4
55.01872	2.1
56.05028	1.6
57.03426	6.4
60.04510	1.8
61.02925	8.2
64.03371	1.2
67.05489	2.3
69.03410	13.0
69.07070	2.0
69.88736	7.8
70.06575	2.5
71.01368	2.3
72.08147	1.4
73.02908	45.8
77.55310	1.4
80.04975	1.4
81.03418	2.6
81.07047	2.1
83.01334	3.3
84.03984	3.3
84.04493	64.9
84.08133	2.0
85.02892	7.9
91.05451	1.7
93.07031	2.8
96.04481	10.5
97.02882	25.6
98.06037	4.7
98.20749	1.4
99.04433	1.7
107.08572	2.1
109.02889	3.3
110.02388	4.6
110.05940	1.3
111.00813	2.1
115.03912	14.5
121.10157	1.6
122.02356	4.0
124.03970	3.0
126.05502	79.4
127.03951	2.6
130.08640	1.7
133.04941	3.6
133.10101	1.4
138.05482	49.9
144.06528	11.9
144.20462	1.3
146.08176	1.4
152.03474	1.5
168.06528	16.8
186.07582	11.5
194.04425	2.4
204.08647	100.0
211.05997	3.8
212.05408	2.5
222.09724	20.3
240.04994	18.9
252.04970	11.8
258.06058	5.7
270.06058	6.1
276.07596	1.7
300.07098	5.0
318.08051	8.6
336.09189	28.9
336.12946	16.1
354.10220	20.9
354.14044	2.4
468.17160	2.9
486.14493	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	486.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	1.7
55.01859	2.2
57.03411	4.7
60.04495	2.0
61.02909	6.0
69.03416	12.7
69.86855	2.3
69.87265	5.3
73.02905	23.7
81.03409	1.7
84.04491	53.9
84.08109	1.3
85.02894	6.0
96.04478	5.8
97.02870	17.5
98.06027	4.6
109.02847	2.7
109.90932	1.2
115.03923	11.1
124.03946	1.6
126.05495	77.1
130.08549	2.0
133.04948	5.0
138.05472	46.7
144.06520	11.5
153.51237	1.3
168.06509	16.7
186.07579	14.7
193.21001	1.3
195.50522	1.3
204.08633	100.0
211.05952	8.7
222.09671	18.9
229.07022	1.3
240.05005	4.2
252.04880	2.6
258.05884	2.1
258.32657	1.2
270.06213	1.9
300.07086	1.4
318.08173	2.9
336.09079	7.6
336.12836	14.8
354.10144	5.0
354.13995	2.5
411.54007	1.3
464.93420	1.3
468.17224	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	486.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	4.5
55.05497	1.6
57.03424	8.0
59.04978	1.3
61.02914	8.6
68.05003	1.4
69.03410	8.0
69.07057	1.7
70.06555	2.3
71.01338	4.4
71.04971	1.4
71.52988	2.3
73.02903	66.1
77.50208	1.2
80.54635	1.0
81.03392	3.9
81.07018	2.0
82.02937	1.3
83.01320	6.5
83.04937	1.2
83.08619	1.1
84.04486	41.8
85.02880	6.9
93.06966	2.3
95.08577	1.2
96.04482	8.0
97.02870	10.2
98.06030	2.7
99.04456	1.4
101.02351	3.3
105.07008	1.4
107.08578	2.4
108.04420	1.8
109.02847	4.2
110.02369	13.6
110.06003	1.5
111.00764	5.3
112.03960	1.8
115.03915	10.5
118.09632	1.2
119.08569	1.9
121.10144	1.4
122.02365	10.7
124.03905	5.1
126.05488	22.5
127.03880	2.2
129.01833	1.6
131.08488	1.7
133.04935	1.8
133.30046	1.1
133.47110	1.2
136.03903	1.5
137.35078	1.4
138.05479	12.7
140.03400	1.2
144.06543	10.1
145.10020	1.2
148.03909	1.8
152.03337	4.0
155.03120	1.3
157.01318	1.7
162.07677	1.2
166.04947	2.9
168.02910	3.6
168.06532	3.4
170.04468	1.7
176.03369	1.4
180.02887	2.3
184.02361	1.2
184.05991	1.9
186.07552	3.2
190.76755	1.2
192.02734	1.4
194.04456	4.6
196.05960	1.6
198.03973	2.5
204.08644	22.3
208.06018	1.2
210.03812	1.5
212.05469	6.9
222.03870	7.8
222.09663	4.7
240.04980	46.1
252.05016	31.5
258.06018	19.4
270.06058	15.1
276.07031	2.8
282.05881	5.5
288.07077	3.9
300.07120	12.9
318.08127	34.4
336.09180	100.0
336.12616	3.7
337.09302	1.4
354.10242	60.9
468.13116	5.0
486.14182	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	486.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	1.4
56.05019	1.5
57.03419	7.1
58.80169	1.1
61.02924	6.8
64.07589	1.2
69.03422	11.5
69.72915	7.8
71.01308	1.7
71.04963	1.2
73.02898	29.3
81.03381	3.5
81.07027	1.4
83.01311	1.8
84.04484	69.4
85.02883	5.6
87.04453	1.5
96.04469	7.8
97.02867	18.2
98.06030	4.2
99.04439	1.3
101.02324	2.2
107.08676	1.1
109.02836	1.8
111.00823	1.3
115.03918	11.0
121.10142	1.4
121.11060	1.0
122.02380	2.1
126.05487	83.9
127.03904	1.8
130.08501	1.1
133.04922	2.9
138.05467	53.8
144.06525	12.8
158.75639	1.1
168.06525	17.7
186.07594	10.8
204.08633	100.0
211.05965	4.4
222.09683	20.4
227.81706	1.2
228.08109	1.1
229.06821	1.4
240.05005	8.0
249.48497	1.1
252.04968	5.2
258.06042	3.4
270.05957	3.7
285.30127	1.5
316.33264	1.1
318.08044	5.5
336.09100	16.4
336.12860	16.7
354.10211	12.7
354.13989	2.5
366.56186	1.4
396.93970	1.2
468.17035	1.6
486.13922	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	486.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	5.4
57.03423	8.3
59.04979	5.2
61.02650	1.2
61.02919	10.2
67.05474	2.6
68.05011	1.7
69.03416	9.3
69.07065	1.4
69.27602	9.4
69.28032	2.8
70.06570	1.8
71.01331	4.0
71.04982	1.2
73.02903	67.6
77.85406	1.1
79.05462	2.1
81.03396	4.2
81.07037	2.5
82.02911	1.5
82.06554	1.3
83.01338	8.8
83.04949	1.5
84.04488	47.8
84.08127	1.3
85.02898	7.7
87.04457	2.6
88.41840	1.2
90.81026	1.0
91.05465	1.8
93.07017	3.7
95.08564	2.9
96.04472	8.1
97.02857	11.1
98.06021	4.0
98.21249	5.1
99.04453	1.7
101.02334	3.2
103.35526	1.1
103.58335	1.3
105.07002	2.5
107.08582	3.3
108.04450	1.8
109.02853	4.2
109.10116	2.1
110.02380	15.5
110.06016	1.2
110.97386	1.1
111.00758	3.9
112.03973	2.8
115.03910	10.3
121.10098	2.7
122.02389	9.7
124.03926	6.0
126.05495	23.8
127.03864	3.5
131.03447	1.4
133.04921	4.7
133.10071	1.5
135.07979	1.5
138.05486	10.6
140.03363	1.4
144.06493	9.0
145.10085	1.5
148.03893	1.6
152.03407	4.7
157.01329	1.6
164.03487	1.2
166.05008	1.8
168.02890	3.5
168.06537	4.4
174.03989	2.2
176.03346	3.1
180.02878	1.6
184.02394	2.2
184.05980	1.9
186.07571	3.5
191.17903	1.1
193.15770	2.2
194.04387	5.8
195.11653	1.1
196.06073	2.6
198.03946	2.1
202.92621	1.1
204.08633	20.4
204.19579	1.1
210.03983	2.2
211.05986	1.4
212.05470	8.7
214.17967	1.3
222.03938	7.0
222.09669	5.2
224.05548	1.9
226.07112	1.4
234.03978	1.2
240.04962	52.7
247.01590	1.2
252.04974	35.7
254.06526	2.8
258.06039	17.0
270.06009	17.5
282.05960	6.9
288.07089	3.9
300.07135	11.3
318.04355	1.4
318.08130	30.8
336.09161	100.0
336.12244	3.7
354.10236	64.6
355.10907	1.8
468.13303	6.7
486.14346	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	485.287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	3.2
57.03432	5.0
57.07067	26.6
59.04976	2.1
62.81849	0.6
67.05497	7.0
69.03422	0.8
69.07056	3.9
69.28321	3.4
69.28759	3.1
71.08234	1.4
71.08617	21.4
79.05466	2.4
81.07050	6.6
83.08599	5.1
85.06523	1.3
85.10166	10.3
87.04430	2.0
89.06022	4.7
91.05465	17.5
93.07044	1.1
95.08585	9.6
97.10162	3.1
98.21445	1.5
98.98453	18.1
99.11733	0.9
104.06225	0.9
105.07013	22.8
107.08582	0.8
109.06561	0.7
109.10133	5.0
111.08051	1.2
123.11672	1.7
130.73863	0.7
133.08528	2.7
133.10109	54.3
147.08023	3.1
149.09651	1.4
155.01022	11.6
171.10159	1.9
173.02083	2.2
177.11172	1.1
178.11479	0.7
189.11150	0.8
229.04756	1.2
239.23663	1.9
247.05733	1.2
313.27316	100.0
314.27640	1.7
329.52631	0.7
393.23938	1.8
449.26538	6.4
485.30341	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	485.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42242	4.9
53.03920	13.4
54.56325	4.6
55.01864	6.0
55.05508	24.2
57.03446	8.7
57.07067	12.6
67.05164	7.7
67.05492	92.4
69.03419	34.4
69.07054	35.3
69.59861	14.6
69.60281	21.4
70.06538	6.0
71.04984	5.4
71.08609	9.0
73.02892	11.1
79.05482	42.6
81.03394	48.2
81.06583	6.8
81.07041	100.0
83.01308	5.0
83.04980	8.1
83.08583	18.3
85.02901	22.8
85.06507	7.1
85.10146	11.5
87.04432	7.1
89.05997	22.3
91.05457	43.6
93.07026	63.6
95.04948	8.5
95.08594	73.0
97.02869	28.2
97.06506	7.4
97.10175	13.7
98.21402	10.3
99.04459	8.0
103.03917	5.4
103.59038	4.4
105.06995	30.7
107.08564	31.7
109.02843	11.4
109.06505	5.2
109.10140	46.9
111.04420	16.1
111.08010	4.4
115.03887	8.1
117.07011	25.0
118.21124	4.8
119.08566	42.8
121.10104	33.6
123.08128	5.6
123.11703	26.7
125.02376	5.4
126.48264	4.5
127.03902	9.7
129.05435	7.0
129.06967	9.7
130.08638	8.9
131.08496	29.4
133.08554	10.2
133.10094	36.0
135.11646	27.9
137.13248	7.5
143.08495	8.5
145.06412	5.4
145.10036	29.8
147.08054	7.8
147.11687	26.7
149.13232	14.3
157.10068	7.7
159.08011	10.5
159.11665	24.9
161.13258	12.1
163.14827	6.6
169.06364	4.6
171.11670	5.0
173.09586	5.4
173.13245	16.8
175.11150	8.3
175.14830	6.4
183.11676	7.4
185.13242	6.4
186.96776	14.1
187.14763	9.9
188.95447	5.3
197.13313	9.0
199.14748	6.5
204.97823	11.3
209.15181	5.3
235.86893	4.7
243.20996	12.4
259.20630	9.8
261.22073	25.0
273.22147	7.9
277.21539	11.6
279.23065	15.5
289.21646	6.4
303.23093	16.0
307.26300	11.2
313.26410	7.2
315.23181	8.5
317.17786	15.9
327.23343	5.2
341.24615	11.3
351.23071	14.1
369.24139	42.0
382.26898	5.9
387.25195	57.3
405.26199	52.2
423.27145	21.5
424.67212	5.5
453.16965	5.4
485.19553	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	485.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40607	1.1
54.75579	1.1
55.05506	4.6
57.03425	6.9
57.07064	28.9
59.04982	2.2
67.05509	4.5
69.07056	3.6
71.08230	1.1
71.08620	20.7
74.88630	0.9
79.05433	1.3
81.07039	8.3
82.54459	1.0
83.08598	4.3
84.08131	1.0
85.10164	14.6
87.04443	2.5
89.06017	12.5
93.07026	1.5
95.08588	9.5
97.10142	3.3
98.98445	10.5
99.11685	1.3
105.06956	1.1
109.10147	6.2
121.98491	0.8
123.11631	1.1
133.08609	6.1
133.10118	1.6
135.11681	1.6
143.53981	0.9
155.00949	5.7
177.11183	3.0
239.23668	2.6
257.24503	1.1
313.27310	100.0
314.27725	1.2
350.97189	1.0
449.26340	3.8
485.28665	8.4
485.34476	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
55.01851	0.8
55.05507	2.1
55.05717	0.4
55.34573	0.4
57.03408	0.4
65.78940	0.3
67.05486	3.1
69.03416	9.0
69.07056	2.8
70.06536	0.6
71.04967	0.8
71.52747	0.7
71.53780	0.4
73.02888	1.0
76.61678	0.4
79.05463	1.7
81.03387	1.3
81.07047	5.8
83.04955	1.2
83.08600	0.6
84.04466	1.0
84.08141	0.5
85.02895	5.4
85.06529	2.0
86.09679	1.1
87.00817	2.0
91.05449	2.8
93.07027	16.9
95.04930	1.3
95.08591	4.8
97.02855	1.8
97.06503	1.5
97.10149	0.6
99.04433	0.8
105.01847	5.7
105.07011	4.5
107.08580	7.0
109.02841	1.4
109.06505	2.9
109.10137	9.3
111.08047	2.2
115.03885	0.6
117.06998	1.6
119.08570	4.9
121.06471	2.3
121.10131	5.1
122.07249	1.8
123.08045	4.3
123.11679	4.6
125.09601	1.5
127.03883	3.8
131.08528	1.3
133.10106	3.2
135.08029	11.7
135.11665	19.4
136.06157	0.6
137.09593	28.1
137.13179	0.6
138.09943	0.5
145.04935	1.0
145.10100	4.0
147.11639	1.3
149.09552	1.6
149.13225	1.4
155.71852	0.4
157.10089	0.7
157.88713	0.5
159.02901	1.0
159.11652	3.2
161.09587	3.9
161.13216	3.3
163.11134	7.4
173.13187	0.6
175.11104	0.7
175.14757	1.1
176.11963	3.2
177.12654	1.2
177.16327	0.5
189.16307	2.7
199.14798	0.6
201.16353	3.1
217.15913	1.1
219.17398	100.0
220.17775	2.0
231.05009	1.6
235.16902	1.2
237.18513	2.3
249.05969	0.9
315.05029	0.5
323.25616	0.6
336.08957	0.5
354.10199	0.7
443.17303	0.4
485.23599	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.3
55.01840	1.1
55.05500	5.3
57.03412	3.4
57.07051	1.4
67.05490	10.4
68.88557	0.8
68.99739	0.9
69.03425	4.3
69.07050	5.0
69.31435	8.4
70.06563	2.1
71.01331	2.7
71.04962	1.5
73.02908	6.8
75.04465	2.4
79.05482	8.7
81.03403	3.1
81.07043	32.2
83.04971	1.5
83.08572	2.8
84.04486	2.7
84.08101	2.3
85.02887	14.8
85.06524	1.4
86.09692	1.6
91.05466	11.6
93.05481	1.2
93.07024	21.8
95.01311	7.3
95.04942	2.1
95.08589	35.6
97.02874	2.9
97.06510	3.8
97.10132	1.7
98.21492	1.8
99.04446	2.5
101.02396	1.3
103.03931	2.1
105.07011	25.1
107.04936	1.1
107.08569	28.0
109.02862	3.3
109.06503	2.2
109.10130	10.5
113.02335	4.6
117.06995	2.5
119.08558	45.7
121.06451	2.9
121.10120	40.3
123.08046	12.2
123.11677	5.0
125.09617	3.0
127.03889	4.4
128.06195	1.0
129.06950	1.5
131.03389	3.2
131.08557	5.8
133.10104	31.4
135.08046	11.2
135.11664	18.4
137.09593	3.9
137.13295	1.0
137.67256	0.9
139.11116	1.2
141.01802	11.1
143.08537	3.9
145.10109	4.9
147.08017	4.3
147.11668	16.3
149.09555	2.1
149.13187	0.9
151.30013	0.9
153.09064	1.3
157.10094	3.7
159.02907	1.5
159.11661	11.9
161.09584	10.1
161.13228	37.4
163.11124	1.9
165.09171	1.0
171.11597	1.9
173.09589	1.1
173.13228	2.2
175.11171	2.6
175.14757	3.0
177.16341	3.1
183.11552	0.8
187.11073	1.1
187.14856	1.3
189.12773	2.7
189.16345	100.0
190.16649	1.8
199.14725	4.5
201.16341	1.7
201.87296	1.0
213.03897	1.8
215.05429	1.9
217.15834	35.5
218.16200	1.8
219.17384	2.4
229.15927	1.1
233.06569	1.9
235.16884	33.5
236.17242	1.2
237.18486	3.2
252.04996	1.9
309.20514	11.5
318.08170	1.6
336.09125	2.7
354.10324	1.5
467.22589	1.3
485.23575	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	484.4714
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20697	0.3
55.05503	1.4
57.06777	0.6
57.07063	11.7
58.06584	0.9
67.05501	1.7
67.18446	0.3
69.07058	1.8
70.06579	11.2
71.08617	6.7
72.08112	0.3
73.02896	1.2
74.17683	0.3
74.54327	0.3
81.07038	1.9
83.08615	1.7
85.10163	2.5
88.07611	15.5
95.08582	2.2
97.10145	1.0
102.09159	10.4
106.08650	0.5
109.10121	0.8
111.11643	0.3
136.57645	0.2
151.65504	0.3
154.45053	0.3
156.17386	0.3
184.20499	0.3
200.20056	24.8
204.31487	0.3
218.21107	2.1
228.23184	18.2
229.66510	0.4
246.24219	1.8
255.23128	1.6
256.26352	1.5
283.21417	0.3
283.23752	0.2
283.26257	17.9
311.29376	22.1
312.29749	0.7
484.47156	100.0
485.47672	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	485.032
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30125	0.7
64.60326	0.8
65.94213	0.6
71.23869	0.6
71.28002	1.0
81.41856	0.6
98.97573	5.9
103.38606	0.8
110.31276	0.7
116.98598	5.5
122.37908	0.6
134.99615	4.5
153.11465	0.7
174.97566	1.4
177.00974	0.7
192.98660	1.9
216.98645	1.9
219.01897	1.5
232.96588	3.0
234.96436	4.4
234.99832	7.7
235.99957	1.3
236.99567	2.2
240.98877	2.0
250.97751	3.5
251.97729	1.5
252.97469	4.8
253.00977	1.5
256.96609	2.4
258.96561	3.3
258.99878	19.0
260.00037	2.2
260.99734	2.2
261.03027	4.1
264.98999	2.5
274.97702	14.0
275.97858	6.1
276.97485	19.8
277.00916	31.3
277.97906	1.2
278.01010	4.4
279.00793	3.8
282.99945	46.4
284.00037	6.3
284.99756	4.7
292.98672	4.7
293.98889	1.1
294.98639	5.7
298.97678	10.0
299.97809	4.1
300.97531	16.5
301.00949	100.0
301.97757	0.9
302.01056	12.7
303.00790	9.0
304.00906	1.8
316.98767	20.7
317.98895	8.5
318.98611	38.6
319.02039	6.2
319.98715	1.6
320.98749	0.7
324.02536	3.4
334.99869	1.0
336.99582	2.1
340.95352	0.8
340.99127	1.1
342.00177	1.6
343.02216	0.9
359.00336	3.3
360.99796	5.3
361.99878	0.8
376.97397	2.0
379.00342	1.0
401.01584	4.3
403.00677	1.5
407.00000	5.5
418.98715	6.3
419.97705	1.9
425.01318	28.1
426.01022	2.9
427.01157	1.1
440.98810	1.1
443.02847	85.3
444.02771	10.1
445.02200	3.5
446.01840	1.1
458.99808	1.1
459.99973	2.2
460.99750	50.4
461.99710	5.5
466.04019	5.9
467.03000	3.2
472.99344	0.8
478.99673	0.8
484.01352	4.3
484.99844	9.8
485.99820	0.9
502.97491	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.4
56.85494	0.6
57.03416	0.8
57.07067	56.8
58.99570	1.9
59.04699	1.2
59.04987	18.2
60.04530	4.2
60.05258	0.6
65.03928	1.8
67.05496	6.5
69.03416	1.9
69.07057	2.8
69.50198	5.1
70.06609	0.7
71.08621	100.0
73.06548	2.1
74.00676	0.6
74.06075	1.0
76.02219	1.8
79.05473	1.8
81.07043	3.4
82.06566	0.8
83.04977	2.9
83.08625	2.5
84.08142	4.8
85.06531	24.5
85.10169	54.9
86.00624	0.9
86.99043	1.0
87.02708	0.9
87.04460	4.2
88.03970	6.4
89.06017	74.8
91.05465	0.9
91.07586	0.7
93.07030	2.3
95.08612	1.7
97.10133	1.2
99.02663	10.4
103.07578	5.4
105.00085	1.1
107.07072	2.2
107.08583	1.5
109.10117	0.9
110.06030	7.6
111.04447	2.5
111.11695	1.0
117.03680	0.9
117.09134	1.2
119.98219	0.8
120.01153	1.1
120.76893	0.7
122.02711	5.5
127.14790	8.5
127.15514	0.6
128.07080	1.6
129.05493	2.0
130.08604	3.3
131.07056	2.2
131.08495	1.0
132.01083	1.6
133.08583	51.0
142.06863	1.5
146.08118	5.6
152.07097	2.9
160.04283	1.1
164.09219	2.0
167.18074	0.9
170.08109	1.4
171.04787	1.7
175.09694	1.3
177.11203	38.8
185.18985	13.3
188.07434	15.9
188.09210	7.0
189.05794	9.8
189.07581	1.4
195.12361	1.3
206.08472	6.2
206.10294	6.1
219.12227	0.9
221.13837	3.3
224.11348	1.5
228.58566	0.7
229.21617	7.3
237.16913	0.8
239.15019	3.7
265.16510	3.2
283.17484	34.9
313.27310	1.0
323.20801	3.1
327.20123	6.2
341.21658	4.7
448.30780	1.1
461.31583	0.7
466.31421	4.9
467.35831	17.3
484.30997	3.2
484.38580	3.9
485.20279	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80501	0.6
55.05485	1.1
57.07047	0.7
67.05483	2.1
68.01357	0.9
69.07056	1.5
69.40823	1.8
69.41241	2.7
70.06569	1.5
72.08120	0.9
73.02902	0.9
76.02206	0.9
81.03407	1.0
81.07040	2.0
83.04953	0.6
83.08602	0.7
84.04478	1.9
84.08110	1.6
85.02876	1.5
86.09671	0.6
89.05980	0.7
91.05473	1.5
93.07011	1.5
95.04948	0.7
95.08586	1.6
97.02841	0.6
105.07009	2.2
106.06562	2.6
106.07194	0.5
107.07342	0.7
107.08562	1.1
108.08121	1.2
109.06494	1.0
109.10147	1.0
111.42596	0.5
112.03938	1.7
118.10168	0.5
119.08572	1.1
121.06485	0.9
121.10132	1.0
122.02367	2.0
123.11666	0.6
127.03857	0.7
130.04993	1.0
132.08051	1.2
133.10066	1.2
136.07550	4.3
145.10060	0.6
146.05934	0.6
146.09616	1.7
147.08057	0.6
148.07547	9.3
150.09099	1.1
155.05978	0.6
157.07660	0.6
158.09663	0.6
160.07550	7.5
162.09105	0.5
164.07040	2.5
166.08606	23.1
171.09122	1.0
172.07584	1.1
173.10728	0.9
174.09117	6.1
175.05586	0.5
178.08583	2.4
182.04431	1.6
182.98015	0.5
184.07631	0.7
192.10181	1.3
195.09189	0.8
196.06039	1.2
196.09920	0.8
197.08342	0.7
198.09142	1.1
199.08627	4.1
200.07059	2.3
200.09393	0.7
201.10153	2.0
202.08572	2.1
204.06583	0.6
213.10202	6.1
214.10866	0.6
215.08145	1.8
215.11758	0.9
218.08118	1.8
220.09647	19.8
223.08615	1.2
225.10175	1.3
226.08621	1.4
227.08058	5.1
227.11581	0.7
228.06560	1.8
231.10997	0.6
237.10199	3.7
239.11569	0.7
240.10225	1.2
241.09734	6.9
242.10356	1.3
243.11276	6.7
244.09721	0.6
245.09145	2.3
246.07607	10.0
250.79419	0.6
251.08060	3.3
252.08838	1.2
255.11197	3.4
259.10730	5.6
264.08649	5.4
265.09827	2.5
265.12442	0.5
266.08228	0.6
267.11313	1.4
268.09653	2.3
269.09146	13.3
270.07410	0.9
271.14368	12.0
273.12274	2.3
283.10699	6.4
283.13565	0.7
285.12283	14.8
287.10233	9.9
287.13385	0.8
289.12097	0.8
289.15366	5.4
293.09122	0.9
301.11749	17.4
311.10196	16.7
313.11600	0.6
329.11255	100.0
330.11575	1.7
331.12610	1.2
347.12360	5.4
350.27811	0.6
361.13879	18.4
408.19229	0.9
434.17007	6.7
452.18076	30.6
484.21887	1.6
484.30478	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57562	0.6
53.03931	1.5
55.01858	5.1
55.05495	1.4
55.79896	0.6
56.75743	0.6
56.96533	0.6
57.03411	1.4
58.99566	0.6
60.62500	0.6
62.54408	0.6
67.05495	5.6
69.03413	7.2
69.07027	0.9
70.02931	1.1
70.06569	1.1
70.30699	1.6
70.31092	1.4
71.04959	0.7
73.02906	10.6
77.03938	0.7
79.05473	8.1
81.03435	1.7
81.07040	9.9
82.06538	1.2
84.04498	1.4
84.08127	1.5
85.01105	0.9
85.02896	7.4
86.06024	0.8
87.04449	0.7
88.03977	25.2
91.04882	1.1
91.05463	21.6
93.03386	0.9
93.07027	47.5
95.04962	3.4
95.08591	19.8
95.61605	0.7
97.02870	4.1
97.06484	0.9
98.20826	0.9
99.02644	1.7
99.04436	0.7
101.17390	0.6
103.05453	1.0
105.00037	0.6
105.07012	7.4
106.51501	0.8
107.04912	1.3
107.08572	13.1
109.02854	1.1
109.06503	1.7
109.10152	5.6
111.08029	1.1
115.03904	2.4
117.06992	5.9
119.04960	0.9
119.08559	54.7
121.06459	1.5
121.09299	1.3
121.10120	16.4
121.65685	0.6
122.02715	16.3
122.05993	0.8
123.04388	1.5
123.08035	3.0
125.04173	2.9
125.09595	1.0
127.03850	1.8
127.05755	7.3
129.06967	1.6
130.08562	2.2
132.01140	2.0
135.08026	14.6
137.09584	6.7
139.07487	0.8
142.40762	0.7
146.08087	4.2
147.04364	2.5
147.08014	26.0
147.09195	1.3
151.05701	3.3
152.57407	0.8
153.07300	1.0
153.09062	8.0
165.09091	31.4
171.08253	0.6
174.02197	0.8
179.05251	1.0
181.06760	1.6
183.10135	14.1
197.06219	1.4
199.07916	5.3
206.10242	1.2
211.69461	0.7
215.07372	0.9
217.08896	10.5
220.66649	0.7
221.12564	0.7
236.41698	0.7
243.10400	0.9
268.09900	0.8
286.10974	2.3
287.09467	6.4
304.12070	100.0
305.12405	1.9
322.13242	1.8
430.15396	2.0
448.16269	2.0
466.17523	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	484.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
55.01850	1.3
55.05517	3.8
56.05032	0.7
57.03428	6.2
57.58943	0.7
59.04988	1.0
63.34861	0.6
67.05493	1.3
69.03412	2.8
69.07069	1.3
69.14384	0.7
69.98228	3.3
70.06590	6.1
71.04993	1.2
71.06918	0.8
72.08154	3.5
73.02905	1.4
79.05478	3.4
81.03411	1.5
81.06617	0.7
81.07030	3.6
82.06571	1.3
83.04962	2.8
83.08600	2.2
84.04494	1.8
84.08133	8.9
85.02892	4.7
85.06496	0.7
86.09700	3.6
87.04431	0.9
88.02195	1.0
91.05457	4.1
93.07034	5.4
94.07390	0.7
95.01315	3.2
95.04966	5.8
95.08546	1.2
97.02878	2.7
97.06502	3.3
98.21458	1.0
99.04449	2.7
100.11269	0.8
101.06039	0.7
103.03937	7.4
103.05461	2.0
105.07022	1.8
107.08575	13.5
109.02865	1.2
109.06496	1.8
109.10114	1.0
110.07140	1.9
110.57923	0.7
111.04433	2.7
111.08070	18.3
113.02349	1.7
116.07090	1.5
117.07039	1.8
119.04903	0.9
119.08551	1.5
122.06001	1.1
123.04389	2.6
124.07563	0.9
125.05968	1.0
125.09621	11.3
126.09137	0.9
127.07533	7.2
129.05405	0.7
129.10202	0.8
130.08624	12.6
131.03395	0.8
131.04921	3.6
134.02675	0.9
135.08037	23.8
137.05952	1.7
137.09595	0.7
138.05447	1.4
140.07053	0.9
141.01797	5.4
144.62703	0.7
145.04936	2.2
145.09996	0.7
146.08066	1.8
147.04384	3.1
149.07402	1.0
153.09087	69.2
154.08559	1.0
155.07002	2.0
159.02737	1.0
163.07526	12.6
165.09106	0.8
167.07031	0.7
171.10138	16.5
173.11661	0.8
174.09082	0.7
175.53503	0.9
181.08551	5.4
182.08136	1.6
183.06519	8.3
184.07330	1.3
199.09641	9.1
214.47978	0.7
217.10713	2.2
222.02077	0.7
227.12738	24.4
237.11165	1.1
245.13821	3.2
255.12296	9.9
273.13293	100.0
274.13629	1.6
291.14316	6.1
322.07376	1.5
354.13290	2.3
431.15482	1.5
449.16446	5.0
466.18262	0.7
489.55481	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2941
Annotation	Fusicoccin H
Peak:m/z	Relative Intensity
53.03919	5.9
55.01876	4.5
55.05500	18.3
57.03429	30.3
57.07045	2.8
59.52922	2.3
61.02915	76.7
65.03919	4.7
67.05490	71.5
69.03072	3.0
69.03419	40.6
69.07055	17.5
71.01335	5.2
71.04978	5.5
71.54230	2.0
73.02905	37.3
75.04455	2.8
77.17460	2.2
79.05481	58.8
81.02971	2.7
81.03400	23.6
81.06580	4.7
81.07040	76.2
83.04959	7.0
83.08604	9.3
85.02888	69.9
85.06487	3.0
87.04446	6.1
88.13419	1.9
91.03410	3.1
91.03941	42.5
91.05464	40.4
93.06472	2.9
93.07029	54.1
95.04948	7.5
95.08588	68.2
97.02280	4.5
97.02875	62.3
97.06510	3.1
97.10162	5.7
99.04423	11.9
101.02364	14.4
102.68819	2.1
103.03920	10.3
105.07005	31.5
107.08572	45.7
108.27680	2.1
109.02851	9.5
109.06473	5.8
109.10141	31.3
111.04411	3.8
111.08033	2.3
115.03903	5.6
116.07122	2.1
117.05495	5.5
117.06983	8.6
119.08564	21.2
121.06533	2.7
121.10120	29.6
123.11675	8.4
127.03905	25.5
129.05428	7.1
131.08517	17.7
133.06425	2.4
133.10127	16.4
135.11688	21.2
137.09634	3.0
137.13245	3.3
143.08539	4.3
145.04918	9.8
145.10101	16.6
147.08043	2.7
147.11685	14.7
149.09590	3.5
149.13264	12.8
151.11104	3.1
157.10077	4.4
159.06557	2.6
159.11703	10.4
161.13203	4.8
163.14754	3.2
165.12784	6.0
171.11670	2.7
173.13187	5.8
183.06464	4.8
185.13251	2.3
187.14784	3.9
195.11765	2.5
195.13783	2.3
201.07521	5.8
229.19440	9.1
247.20525	25.2
264.95062	2.3
265.21350	2.1
321.24182	100.0
331.22589	2.7
349.23718	3.1
355.22430	3.2
373.23953	2.4
447.27066	3.2
465.28207	7.7
483.29346	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	483.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59523	0.9
55.05484	3.6
57.03415	3.1
57.07063	100.0
57.65219	1.0
58.04211	1.8
59.04706	2.1
59.04989	31.4
67.05480	1.9
69.07047	6.0
70.64675	3.2
71.08618	80.0
72.05766	2.5
72.95390	0.9
73.02888	3.5
81.07036	2.0
81.15319	1.0
82.07797	1.0
83.08588	3.7
85.06513	1.5
85.10166	68.4
86.07283	1.3
87.04443	5.7
89.06012	7.7
90.01903	15.2
95.08600	2.3
97.10136	4.4
99.11709	14.0
101.05984	1.8
101.09632	2.9
107.08591	1.1
109.10056	1.3
111.11581	1.2
113.13286	5.5
117.09109	10.1
119.08501	1.0
133.08600	2.2
141.16335	2.4
145.08521	1.2
149.09685	0.9
152.15546	1.6
155.17911	9.0
159.16866	0.9
178.07095	2.9
181.25664	1.0
183.17432	1.1
189.11078	1.3
192.08578	1.6
192.31750	1.0
196.08110	1.6
213.22083	17.2
236.11317	2.4
254.12364	1.9
271.26270	9.4
272.49429	1.0
283.17551	2.0
284.17740	2.6
469.41830	1.1
483.36563	3.7
484.47000	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	482.3233
Annotation	LPE(18:0/0:0)
Peak:m/z	Relative Intensity
55.05487	5.0
57.03414	2.7
57.07065	100.0
57.68636	1.0
59.04999	7.2
62.06078	22.2
65.16394	0.9
67.05483	4.0
69.07063	6.7
69.64050	7.5
71.08620	78.7
73.02880	1.3
73.06540	1.6
81.07030	5.2
83.08600	5.6
85.10168	59.0
87.04440	4.8
89.06013	60.4
95.01698	1.1
95.08606	6.0
97.10158	4.9
98.98418	3.4
99.11716	8.8
103.03925	21.6
103.07568	3.8
107.07037	2.9
109.10114	2.7
111.11699	3.9
113.13279	6.9
117.05462	1.2
117.09116	2.7
118.55569	1.0
121.08645	1.3
121.10102	1.2
123.11707	1.3
124.01548	1.1
125.13251	1.3
127.14873	1.9
129.95021	1.0
130.08629	2.5
131.06998	2.0
133.08580	39.6
142.02592	1.3
147.06464	4.2
151.09607	1.3
155.00986	3.9
155.17929	6.8
163.09656	1.1
173.28304	1.1
177.11191	18.0
183.21007	1.3
191.08942	1.8
195.12166	1.8
199.20531	1.3
207.12225	4.4
213.22086	5.2
216.06273	1.8
221.13823	3.1
235.11739	9.3
239.14713	1.4
253.12816	10.8
257.24683	3.3
271.26285	3.7
283.17462	24.6
310.30988	9.8
315.28827	2.8
341.30435	82.0
342.30838	2.8
372.01385	1.2
421.27097	6.1
464.31076	4.9
465.32031	1.9
465.37939	31.5
482.40146	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	482.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58756	0.8
55.05507	0.9
55.35211	0.9
57.03433	0.9
57.07068	100.0
59.04711	1.1
59.04993	20.7
66.08820	0.9
69.07061	1.8
69.38005	0.8
70.70081	2.4
71.08622	69.7
78.63438	0.8
79.63754	0.7
82.84205	0.7
83.08590	2.0
85.10172	62.6
87.04454	1.6
88.34717	0.7
89.06019	35.8
89.69810	0.9
97.10133	2.0
99.11728	12.8
101.09633	2.6
103.07530	0.9
107.07092	1.5
111.11708	0.9
113.13257	5.5
117.08368	1.0
117.09093	5.4
127.52245	0.9
130.08672	0.8
131.07021	1.4
132.26094	1.0
133.08591	15.3
136.48679	0.8
147.10193	3.9
155.17918	11.2
158.48198	0.8
177.11192	14.0
195.12242	11.1
213.22099	21.5
214.22389	0.8
235.15398	4.9
253.16464	7.9
254.24754	1.6
271.26303	15.2
283.17300	4.5
293.19547	2.4
457.20285	0.9
465.37762	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	483.271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.6
55.05503	18.7
57.03429	7.0
57.06796	0.7
57.07066	10.3
58.60149	0.6
67.05494	3.1
68.03847	0.7
69.06673	1.1
69.07056	22.8
69.27914	4.7
69.28319	0.8
70.82249	0.6
71.08615	6.8
75.54897	0.5
79.05480	2.2
81.07036	3.8
83.08604	18.9
85.10173	2.7
89.21485	0.5
93.07022	2.6
95.08585	3.9
97.06521	1.7
97.10151	15.1
98.21533	1.0
98.98439	8.0
99.18077	0.5
107.08569	1.3
107.48862	0.6
109.10143	1.3
111.08067	1.0
111.11727	3.2
111.12335	0.5
121.10137	2.2
125.09608	0.8
135.11691	1.7
137.13254	0.5
149.13194	0.7
155.01015	3.8
157.86292	0.6
173.02106	0.8
219.21126	0.8
228.20374	0.8
233.23285	0.5
237.22144	0.9
311.25754	100.0
312.25916	2.9
447.25006	3.3
507.12558	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65334	1.4
53.03930	2.5
55.01861	7.0
55.05497	4.4
57.03424	13.2
57.07058	1.8
59.04971	2.9
61.02917	7.7
67.05478	7.1
69.03079	1.8
69.03416	26.0
69.07050	13.0
69.26307	3.5
69.26714	10.4
70.06577	6.3
71.01338	3.6
71.04977	16.9
71.75060	1.3
72.08119	1.7
73.02902	34.1
73.06525	1.8
79.05477	9.5
81.03402	7.1
81.07040	18.7
83.04942	2.9
83.08595	3.0
84.04444	1.8
84.08121	3.9
85.02892	60.5
85.06534	1.6
86.09677	4.0
87.04450	3.4
91.03933	2.3
91.05455	10.0
93.07024	21.0
94.06535	3.4
95.04945	5.4
95.08601	10.3
97.02871	37.7
97.06486	2.9
99.04411	3.8
103.03925	5.0
105.07014	6.4
107.04945	3.1
107.08571	20.4
108.04465	2.5
109.02855	7.8
109.06505	5.2
109.10135	8.9
110.07151	1.8
111.04394	3.7
112.07513	1.4
115.03910	17.9
117.06940	1.4
119.04993	1.8
119.08569	11.8
120.08066	1.9
121.02798	1.6
121.06448	2.2
121.10098	4.1
122.05997	10.1
123.04395	2.8
123.08035	2.6
123.11694	1.5
125.13220	3.8
126.09109	1.3
127.03893	21.7
130.08629	1.5
131.08530	3.6
133.04935	20.2
133.06412	2.1
133.10114	3.9
135.04396	3.4
135.08044	2.6
135.11673	24.9
136.07561	2.0
137.02274	4.3
137.05956	6.6
137.09575	4.0
137.13210	2.4
138.09082	2.9
139.03844	4.1
140.07039	18.3
143.08531	2.0
145.04936	22.5
145.10083	3.2
146.05972	14.9
147.04346	2.1
147.08034	3.9
147.11702	1.7
149.09595	1.9
151.03845	5.3
151.07576	1.7
151.11136	2.3
153.01736	1.5
153.12715	100.0
159.07996	2.3
159.11670	2.2
160.03976	1.6
161.05902	3.1
161.09579	2.0
161.13243	1.6
163.03874	6.1
163.06023	11.8
163.07278	2.2
163.11166	2.7
165.09065	2.9
165.12700	6.2
166.08612	4.8
167.07016	1.5
168.06512	2.3
171.13695	1.6
173.09547	3.2
173.13202	1.7
174.05461	14.9
175.07407	1.9
177.05417	2.6
177.12709	3.1
189.09053	1.2
189.12755	1.7
191.03346	35.2
191.05782	2.2
191.10648	1.4
192.06482	2.6
195.06372	1.6
195.13710	3.3
206.04355	1.6
207.13759	4.1
223.06050	2.5
225.10184	1.8
234.61751	1.2
240.09032	1.8
241.07140	6.5
241.09489	1.5
249.14789	1.6
253.09766	2.8
258.11432	1.5
258.83609	1.2
259.08093	12.1
260.70276	1.4
261.14719	1.9
267.15860	2.8
273.07611	3.4
277.09122	2.5
279.15759	3.5
281.09055	4.0
285.12045	2.5
285.16806	7.0
295.10376	11.8
297.16852	4.8
299.10150	3.7
303.04883	5.1
303.19357	2.4
313.03296	2.3
313.11722	16.1
315.05161	1.9
315.08569	22.2
315.17972	17.8
323.10083	3.2
324.10501	1.9
331.12601	2.3
333.19019	9.6
341.11298	18.2
353.39041	1.4
440.17838	2.0
464.17886	2.3
482.19009	9.8
482.25015	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	482.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.9
55.05488	2.8
56.11462	0.5
56.63034	0.7
57.03428	13.9
59.04967	0.7
60.04492	1.1
61.02926	5.2
61.27797	0.6
61.57229	0.6
67.05482	1.0
69.03422	9.3
70.06601	0.7
70.60189	2.4
71.01329	2.2
71.04981	1.4
73.02905	37.5
75.04469	18.8
80.04968	0.8
81.03390	2.9
83.04964	14.7
84.04488	18.9
85.02885	9.0
85.04923	0.7
87.04414	0.9
95.04935	1.5
96.04476	11.8
97.02878	14.1
98.06036	4.8
99.04468	1.7
100.62341	0.7
103.03931	1.1
109.02871	4.1
111.03698	1.5
111.04427	17.6
113.05959	1.6
115.03910	11.8
126.05495	38.9
127.03898	1.9
129.05466	12.3
133.04942	5.8
138.05478	85.7
143.03336	0.9
144.06537	16.1
147.06487	2.2
149.04433	1.2
150.93164	0.6
165.05319	0.6
168.06532	27.1
169.04907	1.2
181.11943	0.7
186.07582	20.9
204.08638	100.0
205.08984	1.0
225.07538	10.6
228.40535	0.7
243.08635	2.3
261.09738	1.6
336.12729	1.2
350.14301	4.7
482.18271	4.4
504.96692	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41133	0.7
53.03927	1.2
55.01863	1.8
55.05494	2.0
55.47080	0.5
56.05001	0.6
57.03423	1.1
59.53112	0.6
62.11883	0.6
67.05488	20.0
69.03408	2.7
69.07047	2.4
69.35339	5.6
70.06567	2.0
71.04969	2.9
72.08125	1.6
73.02921	0.9
77.05607	0.6
79.05468	3.1
81.03389	2.1
81.07035	15.2
83.04960	2.0
83.08575	0.7
84.08115	2.0
85.02876	2.4
85.06526	1.5
86.09689	1.0
87.04464	0.9
91.05447	2.0
93.07042	5.5
95.04951	3.8
95.08588	10.1
97.02867	1.3
97.06531	1.6
99.04436	1.8
99.08101	1.5
105.07027	1.8
107.08561	3.5
109.06487	2.2
109.10134	68.6
109.14004	0.7
110.10483	0.9
111.08091	1.0
113.05988	0.7
119.08568	5.0
120.08075	2.4
121.10130	3.7
123.08092	0.7
124.07538	1.3
125.05963	6.9
127.03918	0.8
131.08557	0.7
133.04919	1.5
133.10139	0.9
135.11641	0.8
137.05989	1.8
137.09589	100.0
138.09897	1.6
139.11145	2.6
143.07019	1.7
145.10172	0.7
147.11659	1.1
151.11162	0.7
153.12766	1.1
155.10634	21.7
157.10069	0.6
161.13248	0.6
165.09082	61.4
166.09456	0.8
167.06956	0.8
175.27235	0.6
179.14265	1.0
183.06541	1.6
183.10124	12.0
193.12164	0.9
199.13277	4.0
201.11179	50.4
217.14217	3.0
219.12314	1.9
251.12660	2.0
268.87628	0.6
269.13788	9.8
271.18890	1.1
277.34933	0.6
279.12219	6.8
285.16901	2.8
287.14859	4.0
297.13269	54.4
298.13431	0.9
301.03381	0.7
302.12009	0.8
309.12222	0.6
313.11694	0.7
315.14322	10.7
320.13309	0.8
333.15457	1.8
401.17694	1.0
429.17386	6.1
433.58102	0.6
447.18640	2.7
482.23785	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.6
55.05490	2.9
55.70009	0.4
56.05013	0.5
57.03427	17.6
59.04978	0.7
60.04509	1.2
61.02916	5.8
65.03929	0.6
67.05485	1.3
68.05017	0.9
69.03416	10.8
69.35298	4.5
70.06581	1.5
71.01344	1.9
71.04993	2.4
73.02905	41.4
74.03238	0.5
75.04035	1.1
75.04465	20.7
80.05001	1.2
80.45919	0.4
81.03394	2.5
81.07053	0.7
83.04967	14.4
84.04487	29.2
85.02890	9.6
85.06522	0.8
87.04456	1.5
91.05483	0.7
93.07016	0.8
94.07387	0.7
95.04939	1.6
96.04469	10.2
97.02870	15.6
98.06036	5.7
98.20772	0.9
99.04446	1.2
101.05994	0.9
103.03924	1.6
103.05452	0.8
105.07018	0.9
109.02864	3.1
109.10065	0.6
110.06049	2.5
111.04423	15.2
113.05973	3.0
114.05524	0.9
115.03905	12.2
119.08530	1.1
121.10121	0.7
124.03925	0.6
126.05494	46.3
127.03898	1.8
129.05467	12.4
131.04915	3.4
131.07008	1.5
133.04935	5.0
137.05920	1.2
138.05472	77.0
139.05803	1.3
144.06538	16.2
147.06487	2.0
149.02272	0.7
149.04414	0.9
157.04938	0.6
168.06529	24.4
169.04918	1.3
170.72665	0.6
186.07579	21.0
193.04984	0.7
204.08636	100.0
205.09010	1.0
212.40398	0.5
225.07530	10.4
228.23213	0.6
237.07503	0.8
243.08649	2.1
261.09702	0.6
264.10300	0.6
272.26089	0.5
300.10565	0.6
313.80246	0.5
336.09149	1.2
336.12827	1.5
350.14365	5.9
352.21924	0.6
482.18515	5.3
482.30618	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	482.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77968	0.8
55.01847	2.4
55.05511	4.6
57.03429	11.7
60.04526	1.5
61.02900	3.7
67.05476	1.6
68.05070	1.0
69.03419	8.2
70.82381	2.5
71.01332	2.0
71.04982	1.6
73.02908	35.5
75.04469	19.3
75.26211	0.8
81.03398	3.0
83.04970	16.5
84.04495	20.5
85.02895	8.4
85.06548	1.1
87.04434	2.3
96.04486	10.2
97.02876	13.8
98.06033	5.5
107.86549	0.9
109.02841	3.6
111.04429	19.2
113.05993	1.7
115.03891	10.0
126.05496	37.3
127.03869	2.4
127.05824	1.0
129.05482	10.8
130.04984	1.3
131.04877	1.0
131.35812	1.0
132.08870	1.0
133.04927	4.7
138.05479	80.7
144.06516	17.0
147.06488	1.4
149.02342	1.9
168.06549	25.0
169.04884	1.2
186.07587	23.0
193.04922	1.3
204.08644	100.0
205.09003	1.7
206.52124	1.0
225.07571	8.7
237.07564	3.4
243.08607	3.8
261.09653	1.9
336.12692	1.4
350.14343	4.8
378.76315	1.2
482.18683	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	482.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73650	1.3
55.01870	1.6
55.05492	3.5
57.03436	12.2
61.02913	6.8
65.49535	1.5
67.05494	2.4
69.03407	7.8
71.01339	1.8
71.04980	1.7
71.55172	2.1
73.02907	36.1
75.04472	18.5
76.77042	1.4
79.05453	1.6
81.03392	2.3
81.07030	3.1
82.96281	1.6
83.04633	1.3
83.04980	15.5
84.04479	19.6
85.02895	8.7
91.03919	2.2
91.05453	1.8
93.07040	1.6
95.08617	1.9
96.04484	12.7
97.02874	13.7
98.06033	5.2
109.02841	3.7
111.04424	20.0
113.05955	1.9
115.03903	8.0
126.05498	35.2
127.03896	3.4
129.05486	12.6
133.04938	5.4
138.05479	86.4
144.06537	15.2
147.06590	1.6
168.06528	25.6
184.72003	1.5
186.07574	20.9
204.08640	100.0
205.08954	1.6
225.07538	9.7
243.08603	3.1
350.14182	3.4
482.18414	2.5
482.34409	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	481.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.7
55.01856	5.7
55.05487	6.6
56.05016	5.1
57.03415	3.6
63.00716	2.0
64.84033	1.4
65.03925	2.2
67.05480	7.1
69.03408	7.0
69.07053	2.7
70.06583	30.4
70.12311	5.9
71.04967	6.5
71.13168	1.3
72.08142	8.8
73.02906	13.0
74.06059	3.8
79.05459	7.6
81.03408	7.9
81.07034	6.0
83.04965	7.7
84.04489	3.0
84.08131	10.4
85.02896	14.3
85.34245	1.3
86.09704	10.5
88.02148	1.5
91.05466	45.8
93.03400	3.0
93.07034	46.8
94.06575	1.8
94.99058	1.7
95.04946	5.4
95.08587	5.5
97.02878	9.5
99.04415	2.6
101.06001	11.9
103.05442	2.4
105.07011	10.5
106.04919	2.5
107.04927	2.3
107.08572	5.5
109.02865	4.8
109.06498	4.3
109.10120	5.0
110.05968	2.1
110.07121	3.1
111.04417	5.6
114.05499	1.5
117.07003	13.0
118.08633	1.7
119.04878	1.9
119.07088	4.4
119.08562	100.0
120.08097	3.3
121.06472	2.4
121.10131	5.8
122.02665	1.9
122.06021	2.2
123.04395	4.9
123.08080	2.1
127.03876	8.4
128.06145	1.6
129.06950	5.7
129.10204	2.4
130.06529	2.2
130.08606	3.4
132.10199	1.6
135.08017	7.1
136.07558	4.1
137.05934	20.9
137.06844	1.9
137.07056	1.9
137.08058	16.8
137.09575	10.0
140.07030	4.4
142.08623	1.8
143.11740	1.9
145.04893	3.5
146.05981	1.6
147.04372	2.1
147.08022	59.2
149.05997	2.7
150.05479	3.1
151.03903	1.9
151.07513	4.2
153.09125	4.8
154.08685	1.8
157.06409	1.7
157.07607	7.0
158.06035	2.1
158.33069	1.4
159.07932	2.1
163.07455	2.8
164.07021	1.8
165.09093	49.3
167.06984	2.0
175.08626	3.8
177.05382	5.2
183.10184	7.2
185.07118	2.2
185.09464	1.7
189.12288	3.9
197.08075	3.6
201.09116	1.8
215.13989	2.4
233.14839	5.2
285.11166	1.7
291.12225	2.8
300.13300	3.7
301.11691	3.7
309.13312	8.8
315.12244	1.9
319.12793	4.6
327.14557	12.7
353.14746	1.6
366.14261	4.1
445.21158	2.1
463.16821	2.6
481.16812	16.1
482.16766	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	481.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36907	0.6
55.05503	3.0
56.05026	11.7
57.03422	2.1
57.23353	0.7
57.85439	0.7
67.05494	8.9
68.05017	1.2
69.03408	0.9
69.07056	3.4
70.85310	1.0
70.85649	1.6
74.06068	100.0
76.02243	0.8
79.05476	5.2
81.07030	6.4
83.04974	0.8
83.06087	4.0
83.08620	1.8
84.04491	24.7
85.02898	1.0
89.93605	0.7
91.05463	3.3
92.07103	48.9
93.07015	6.0
95.06101	1.1
95.08592	4.4
96.04491	0.7
97.23128	0.7
98.06015	1.9
102.05534	3.5
104.10736	0.9
105.07018	1.7
107.08585	2.7
109.10144	2.3
110.06044	1.9
112.03983	0.7
112.07582	1.6
117.07048	0.7
119.08561	2.1
121.10142	2.7
122.06048	1.0
123.11756	0.9
128.07089	1.7
130.04974	7.2
131.08553	0.8
133.10165	0.9
135.11650	1.5
136.97665	0.7
138.05457	1.3
139.08673	1.6
140.07033	6.8
142.08635	1.6
157.09691	18.2
158.08099	26.8
168.06606	1.7
185.09195	2.9
186.07587	7.1
199.14799	0.8
203.10233	48.1
203.78162	0.8
204.08675	6.6
204.10472	1.0
207.72458	0.7
217.61937	0.9
221.11331	8.9
261.22040	1.2
309.24243	1.0
334.27283	9.8
335.25900	3.3
352.28387	41.6
445.30273	1.1
463.31540	22.5
464.30112	7.4
481.32672	35.8
481.39560	1.7
482.32642	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53722	1.2
55.01852	3.1
55.05505	1.1
57.03418	2.0
57.68341	1.1
67.05496	1.5
69.03410	2.4
70.06567	3.8
70.07417	6.6
72.08136	1.6
73.02904	2.9
74.75832	1.1
75.14752	1.2
79.05476	5.3
81.03390	2.2
81.07039	2.4
83.06102	1.4
84.08128	1.7
85.02886	3.6
86.09694	2.6
91.05463	26.9
93.07017	7.0
95.04954	4.9
95.08575	2.8
97.02896	3.1
102.04707	1.3
103.05441	16.3
105.03380	1.9
105.07015	13.3
107.04939	38.2
107.08561	4.8
109.06492	2.5
109.10139	1.7
109.82056	1.2
110.07123	1.4
111.04459	1.7
115.05394	5.7
117.07020	3.2
119.04928	22.6
119.08585	1.8
120.08113	1.4
121.06495	8.8
121.10092	1.6
122.02799	1.4
122.03603	6.6
122.05994	1.7
123.04426	1.4
123.08054	2.4
125.05974	1.4
127.03900	2.0
128.06204	1.3
129.05516	1.8
129.06990	5.8
130.04179	2.8
131.04919	18.1
131.05865	2.2
131.08565	2.2
132.05696	1.2
133.02814	1.3
133.06487	7.8
133.10110	1.7
135.04396	3.0
135.08046	10.8
135.11671	2.7
137.05956	100.0
138.06354	3.2
145.04930	1.7
145.06470	2.5
146.06125	1.1
146.07231	3.2
147.04391	21.7
148.05174	4.3
149.05940	7.1
149.09604	1.3
150.06764	3.7
151.03874	3.9
151.07523	52.0
153.12691	1.6
157.06467	4.3
161.05952	94.1
161.09584	18.9
162.06708	13.7
163.03844	2.2
163.06142	2.9
163.07515	57.2
164.73985	1.1
165.09079	1.8
166.08595	1.5
167.08485	2.5
169.03178	3.4
174.06764	3.1
175.07518	13.2
177.05511	1.3
177.09100	2.9
179.07004	9.2
179.10652	2.2
181.07051	2.2
181.08582	21.7
189.09077	51.3
191.03360	10.4
191.07014	2.4
193.03185	8.5
195.08087	6.6
195.09695	1.2
201.09081	1.7
206.04480	3.7
207.10120	84.9
208.10480	3.1
219.10049	9.8
221.06055	2.5
221.09601	2.7
223.07387	2.1
225.08951	1.5
227.10643	9.4
237.09070	2.1
249.09138	1.4
253.08717	3.7
253.12262	4.3
255.10194	8.4
265.08575	2.2
267.10233	2.2
269.08069	2.5
281.11774	3.7
285.11212	8.0
287.12735	33.1
293.11795	2.2
297.11282	4.0
298.11548	1.4
299.13055	5.1
311.12756	19.8
313.14313	32.7
315.08585	4.9
319.04590	2.2
325.14301	3.1
327.13412	3.8
331.15366	49.6
332.15491	2.4
341.14819	2.8
343.15427	10.1
375.12427	1.6
401.14142	2.0
464.17361	2.3
482.22998	5.9
483.09390	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	1.5
53.03943	1.3
55.01856	4.3
58.99592	1.5
65.03909	2.2
65.14890	1.5
67.05495	2.0
69.03431	3.3
69.07069	1.4
70.06577	6.1
71.28560	1.8
71.28889	2.1
72.08141	2.4
79.05479	6.4
81.03396	2.2
81.07025	3.9
81.66830	1.2
84.04474	1.4
84.08100	1.5
85.02890	8.1
86.09697	3.2
91.05469	27.1
93.03359	2.2
93.07023	5.2
94.04203	2.2
95.04955	4.1
95.08598	1.9
97.02888	4.2
103.05455	18.4
105.03391	2.3
105.07014	14.8
107.04935	39.1
109.02895	1.7
109.06521	2.0
109.10151	2.3
111.04454	2.6
115.05450	6.0
117.06996	2.8
119.04919	26.1
119.08496	1.8
120.08097	3.4
121.06491	8.9
121.10153	1.7
122.03634	6.4
122.05958	3.2
123.04452	1.8
123.08102	2.5
124.07561	2.5
126.09160	1.8
127.03899	2.6
128.06158	1.7
129.07013	7.0
131.04919	22.5
131.08539	3.4
133.02852	3.3
133.06471	9.3
133.10054	1.4
135.04391	2.0
135.08022	12.3
137.05956	100.0
138.06361	3.4
140.07059	1.8
145.05054	1.4
145.06438	4.1
147.04385	32.2
147.05496	2.1
147.08098	2.6
148.05113	2.6
149.05962	8.4
150.06769	3.0
151.07513	48.8
152.05797	2.1
152.07018	3.8
153.01825	6.0
153.05481	2.7
154.02155	2.5
157.06464	6.0
159.08023	2.7
161.05957	96.9
161.09578	19.2
162.06737	12.4
163.06136	3.0
163.07513	62.3
165.01903	2.3
165.06915	1.8
165.09149	2.1
167.06921	2.4
167.08464	3.2
174.06750	2.4
175.07524	12.3
177.05389	1.5
177.09123	3.6
178.07794	1.8
179.03548	1.4
179.06992	6.3
179.08385	1.6
181.08595	14.6
189.09085	58.6
190.09560	1.6
191.06833	1.7
193.03148	13.4
193.06424	1.8
195.08037	6.4
195.10002	2.0
195.12091	1.3
207.10138	94.5
209.09708	1.5
210.06635	1.3
212.08305	3.4
219.10049	11.1
221.05981	3.1
221.09511	3.8
223.07500	5.2
224.08028	1.5
225.09119	4.1
227.10712	9.9
233.09645	2.0
237.09123	2.6
246.04839	2.3
249.09041	1.6
253.08583	4.1
253.12228	4.2
255.10187	6.7
265.08609	3.4
267.10153	2.8
274.04272	2.6
281.11679	3.5
282.08066	2.2
285.11142	9.5
287.12723	36.9
293.11835	1.6
297.11154	4.4
299.12692	5.3
301.14368	1.8
303.04999	4.7
311.12766	19.1
313.14301	37.4
319.04382	17.5
320.04767	43.2
321.05084	2.9
325.14127	2.6
331.15353	59.6
332.15826	2.2
343.15344	9.5
423.07489	1.8
483.08960	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	481.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
55.01860	1.4
55.05503	1.5
56.05058	0.5
57.03413	0.7
58.82756	0.5
60.04511	0.7
63.18047	0.5
65.03915	1.2
65.51962	0.5
67.01852	1.2
67.05489	3.3
68.99788	3.0
69.03412	2.1
69.07050	2.0
70.06570	1.9
71.04958	0.7
71.55520	0.8
72.08142	0.8
79.05475	1.7
81.03407	2.1
81.07042	5.5
83.04984	0.6
83.08597	1.2
84.08123	1.5
84.16091	0.4
85.02894	1.9
85.06522	0.7
86.09697	6.0
88.02213	0.5
91.05466	3.3
91.34471	0.5
93.07045	2.9
94.06529	0.4
95.04942	3.4
95.08582	4.0
96.08922	0.5
97.02881	1.1
97.06525	0.7
97.10140	0.7
99.08070	0.8
100.07574	0.5
103.05430	0.6
105.07019	3.1
107.04937	5.1
107.08575	2.5
109.02867	1.3
109.06490	1.6
109.10134	3.5
111.00787	2.1
111.04434	1.1
111.08046	0.8
115.05437	0.7
117.07040	0.8
119.04950	1.3
119.08546	2.4
120.08094	2.1
121.02848	7.7
121.06451	0.8
121.10123	2.1
122.02712	0.7
122.03579	0.8
123.04439	4.8
123.11685	1.6
127.03900	1.8
129.06941	0.8
129.10170	0.9
130.06462	2.3
131.04982	0.5
131.08501	0.8
132.04431	1.1
133.10129	2.1
135.08080	0.9
135.11644	0.5
137.02356	3.8
137.05954	79.3
138.06282	0.9
141.07054	0.6
145.10086	1.8
147.04355	2.4
147.07973	0.7
147.11700	0.9
149.09662	0.5
153.01797	59.7
157.07600	2.1
157.10130	0.8
158.06001	1.4
159.04326	0.6
159.11646	1.1
161.02347	0.7
161.05974	0.9
162.05453	0.5
163.03885	0.7
163.11118	1.3
165.01799	1.6
165.06923	0.8
167.07071	1.3
169.06482	1.5
169.96825	0.5
171.02866	3.7
173.02325	0.8
173.05963	0.8
173.09448	0.6
173.13249	0.6
175.08650	1.6
179.07004	14.0
179.08528	1.0
181.06471	2.1
183.02946	0.7
183.04430	0.9
185.05849	0.5
185.09612	0.5
187.03806	0.6
191.03424	0.7
197.05931	3.6
197.18942	1.2
201.05496	1.5
203.03336	0.7
207.04416	1.2
209.05949	1.7
211.03911	1.4
213.05557	1.1
213.09239	0.6
215.03389	2.2
215.20078	1.0
219.17422	0.8
221.05904	2.6
223.02284	0.7
223.07457	0.8
223.39235	0.5
225.05415	8.6
226.06178	2.9
227.07069	2.8
229.01335	1.1
229.04907	6.3
233.15358	0.6
235.03906	0.5
235.20457	0.6
237.05434	1.2
239.03351	1.7
239.07059	4.0
241.04878	0.7
245.04314	0.5
248.43478	0.6
249.05400	4.2
251.06993	1.3
253.04922	25.2
257.04425	5.1
263.03342	0.8
265.05023	0.9
265.08426	0.6
267.06516	8.5
269.04364	1.1
269.08069	1.3
271.02335	4.9
271.05649	0.9
273.03763	2.5
277.04993	1.5
279.06555	0.6
281.04437	11.7
281.07437	0.5
284.03091	1.0
285.03888	22.8
286.04416	0.7
287.07028	1.0
287.23605	0.8
288.24017	1.1
289.03299	1.1
291.06546	0.6
295.02689	0.9
295.05972	5.7
299.05441	2.1
299.13898	1.1
303.04938	62.3
304.05356	0.6
305.08011	2.4
309.03995	0.5
311.05402	0.8
313.03357	100.0
314.03690	1.9
315.06500	0.6
316.16431	1.9
319.06277	0.7
323.05508	1.7
327.04907	1.7
328.01883	0.8
333.07547	3.5
343.04480	3.7
345.05972	1.8
347.03986	0.5
350.15167	1.0
351.08557	3.9
355.04391	11.2
361.07120	2.4
379.07980	5.1
387.07037	27.1
388.07101	0.7
389.06491	1.5
403.08133	1.3
407.07547	50.7
408.07953	1.6
413.06500	0.6
421.04807	5.8
421.10031	1.0
422.05936	0.7
431.07565	5.2
449.08591	22.4
449.14880	1.1
450.08719	0.7
463.10712	0.6
481.11044	17.7
481.20148	6.9
505.99930	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	2.0
57.07064	100.0
59.04989	38.1
69.07037	2.3
70.10320	3.5
71.08617	82.2
73.02905	30.7
83.08596	3.3
84.08135	1.0
85.10167	68.8
87.04433	2.9
89.05997	1.6
95.08559	1.1
96.40643	0.9
97.10136	2.8
97.53326	0.8
99.11720	13.1
99.15946	0.9
99.23960	0.8
101.06013	1.0
101.09623	4.0
111.11703	1.0
113.13267	5.1
117.05468	1.9
117.09113	14.4
141.16371	1.4
143.51231	0.8
154.72572	1.0
155.17928	11.5
175.09579	3.3
193.10579	1.8
199.20561	1.2
213.22072	20.1
251.14793	1.1
254.24635	2.3
271.26260	20.7
309.52847	1.1
369.27225	0.9
435.36148	1.9
480.38620	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	480.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.4
56.20971	0.9
57.03419	3.8
57.07066	100.0
59.04993	59.4
59.05257	0.8
62.81798	0.8
63.06342	0.8
65.98262	0.9
67.05485	0.9
69.07053	1.9
70.77465	1.2
70.77811	2.0
71.08620	71.7
81.07056	1.3
81.14175	0.9
83.08611	2.4
85.10168	63.2
86.10482	0.9
87.04447	1.4
95.08622	1.4
97.10143	3.2
99.08080	1.6
99.11713	11.2
100.07590	1.1
101.09641	3.8
113.13280	4.8
117.09118	26.6
155.17923	8.4
175.13240	5.3
193.14285	1.2
213.22079	22.7
233.17381	1.3
251.18442	1.3
254.24794	1.5
259.32910	1.0
271.26266	24.9
276.95471	1.0
282.97888	0.9
329.30515	1.3
356.69641	0.8
463.39993	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	480.3076
Annotation	Glycerophospho-N-Oleoyl Ethanolamine
Peak:m/z	Relative Intensity
53.03926	0.2
55.01856	0.3
55.05502	3.3
57.07061	1.2
62.06062	0.8
67.05486	1.2
69.06731	0.3
69.07058	3.2
69.88373	0.9
71.08607	0.9
72.04478	0.4
79.05456	0.7
81.07030	1.4
82.39987	0.2
83.08607	1.8
85.05278	0.7
85.10150	0.5
86.06040	0.6
89.05987	0.6
93.07019	0.6
95.08557	0.8
96.08083	0.2
97.10148	0.7
98.05428	0.4
98.06036	6.0
107.08585	0.3
109.10150	0.4
112.07560	0.8
121.06443	0.2
155.09911	0.2
158.74892	0.2
168.13768	0.2
268.89426	0.2
308.29401	100.0
309.29779	1.7
326.30420	0.9
337.27304	0.4
371.27936	0.2
491.18021	0.2
504.03726	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.7
55.05503	0.4
56.01380	0.4
57.07064	3.2
58.40426	0.2
59.04987	0.8
61.93047	0.2
65.03934	0.3
67.05496	3.5
69.07059	2.7
69.27841	1.5
69.28256	0.6
70.02944	4.6
71.08611	0.8
72.04499	2.3
72.39648	0.2
73.02909	5.3
74.02436	0.6
79.05472	0.5
79.41713	0.2
81.07036	0.9
83.04961	0.5
85.06525	2.4
85.10161	0.7
86.09674	0.8
87.08098	1.3
89.06011	0.3
90.05544	8.5
91.05447	0.3
93.07027	0.6
94.65010	0.2
95.04949	5.1
95.08567	0.6
96.08106	1.3
98.02399	11.3
98.93374	0.2
100.03962	3.9
100.85458	0.2
101.05986	0.6
103.07569	1.2
107.08551	0.2
109.10151	0.3
112.07587	0.4
113.05988	2.7
116.03435	8.6
121.10093	0.3
124.07575	12.9
125.07899	0.2
127.87658	0.2
128.03392	0.3
130.08617	0.2
131.07025	0.4
131.08556	0.2
133.10039	0.2
135.11600	0.3
142.08615	14.2
149.13220	0.2
151.09659	0.3
156.10162	0.6
160.09650	0.4
162.85794	0.2
166.08643	1.2
174.11285	0.3
178.37132	0.2
184.09671	11.2
185.61317	0.2
202.10713	100.0
203.11058	1.8
220.11772	9.0
221.12068	0.4
224.58798	0.2
261.22046	0.3
360.04184	0.2
384.81845	0.2
462.32031	0.9
480.33023	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.308
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
50.37576	0.3
51.43264	0.2
53.03932	0.5
55.01854	0.8
55.05505	11.2
57.03156	0.4
57.03430	6.4
57.06792	0.4
57.07065	6.6
62.06054	0.5
62.13621	0.2
63.74894	0.3
67.05495	9.6
69.07058	17.4
70.78876	0.8
71.04971	0.6
71.08629	2.9
79.01075	0.3
79.05484	4.1
81.07047	9.8
83.04973	0.4
83.08607	10.7
85.06531	0.5
85.10181	2.0
86.09690	0.5
87.04465	0.4
91.05469	0.5
93.07030	5.1
95.04954	0.3
95.08594	10.7
96.04457	0.7
97.06513	2.1
97.10155	6.4
98.06032	0.5
98.98456	0.4
101.06009	0.3
107.08579	4.2
109.10146	4.6
111.08058	1.2
111.11694	2.2
116.70991	0.3
121.09320	0.4
121.10126	5.7
121.63316	0.3
123.11687	1.5
124.01543	0.5
124.03871	0.4
125.09612	0.8
135.11687	3.5
137.13225	0.3
139.11185	0.5
139.41859	0.3
149.13257	1.8
153.12802	0.5
155.14272	0.3
156.06468	0.3
163.14806	0.8
165.16406	0.3
184.06015	1.4
198.05244	0.4
202.07063	1.0
216.06355	0.6
247.24138	0.9
265.25302	0.8
308.29419	6.6
339.28882	100.0
340.29288	2.5
369.29514	0.3
433.20886	0.3
480.27802	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.6
54.66682	1.2
55.01856	5.0
55.05494	8.7
57.03408	6.8
57.07063	6.9
57.07540	1.2
61.02913	3.4
65.89931	1.2
67.05494	20.1
69.03413	26.7
69.07057	10.7
69.19112	6.4
69.19536	9.5
70.06572	1.8
71.04967	3.0
73.02899	4.5
73.48797	1.4
75.40136	1.5
75.44810	1.3
78.69183	1.3
79.05485	5.2
81.03402	12.9
81.06635	0.9
81.07038	42.6
83.08600	15.8
85.02887	65.0
85.06528	2.1
85.10135	1.6
86.09678	2.1
87.00804	27.7
87.04510	1.2
91.05470	5.3
93.07030	5.7
95.07972	2.8
95.08584	51.0
96.08913	2.8
97.02866	17.1
97.06491	1.6
97.10145	15.8
98.20739	3.7
99.04423	8.2
99.08038	2.3
105.01842	65.6
105.07009	4.5
107.08566	5.7
109.02865	18.5
109.06496	1.8
109.10132	62.0
115.11174	1.9
117.01818	2.2
117.64282	1.3
119.04897	1.8
119.08574	4.5
121.10105	7.9
123.11678	100.0
123.25070	1.4
124.12000	2.2
127.03886	47.1
127.04797	2.8
129.01860	1.8
131.08525	2.0
133.10104	2.5
135.11678	1.3
136.05165	2.2
136.07545	9.1
137.05945	22.5
137.13216	29.7
139.14810	1.8
145.04922	21.1
145.10045	1.3
147.02924	1.8
147.04366	1.5
147.11676	5.3
151.07419	1.7
151.11122	1.8
153.01794	2.4
157.10045	1.6
159.02898	4.9
159.07491	1.4
162.07588	2.2
164.07030	17.2
165.12703	8.6
174.35764	1.4
177.16344	1.8
179.06984	11.9
179.14395	2.8
179.17912	61.8
197.13533	3.0
197.15324	38.3
197.18964	64.9
198.19382	2.1
213.03926	3.1
215.16463	4.0
217.19402	1.6
231.04951	20.2
235.20544	4.2
239.11742	4.2
249.05995	17.9
251.11777	3.9
252.12598	1.7
253.13220	2.4
265.13382	3.3
285.16992	2.5
289.05173	2.7
293.12830	1.8
303.04932	15.6
309.12289	2.9
310.12817	1.9
311.13843	21.8
312.14584	5.5
317.03076	2.0
325.08914	1.3
337.11563	6.5
338.12561	1.6
345.05975	7.3
355.04495	4.6
382.27490	1.6
387.06876	2.4
407.07526	3.1
427.23279	1.5
436.22302	18.7
437.22604	3.1
480.36197	3.7
481.11081	2.4
481.20490	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	480.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.2
55.01864	12.2
55.05489	1.7
57.03428	25.3
57.07058	1.9
59.04965	3.6
61.02641	1.5
61.02919	19.3
67.05487	7.3
67.82615	1.0
69.03416	42.5
69.07056	56.8
69.22168	11.2
69.22578	2.1
71.01340	6.7
71.04971	3.0
73.02905	100.0
75.04460	1.1
76.51652	1.1
79.05455	2.4
81.03406	8.6
81.07042	18.6
83.04929	1.5
84.04473	1.2
85.02891	99.9
87.04441	7.6
91.03932	4.0
91.05431	2.3
93.07023	2.0
95.04966	1.2
95.08590	5.7
97.02875	82.5
97.07155	1.0
99.04417	3.6
99.05767	1.1
101.02334	1.2
103.03896	4.9
105.07037	1.5
107.08571	3.6
109.02879	8.5
109.06486	1.5
109.10123	8.5
115.03909	49.9
115.73652	1.0
121.10104	3.0
123.11686	84.7
125.50506	1.1
127.03891	34.1
133.04939	54.8
133.10085	2.1
137.05960	2.0
144.06517	2.8
145.04930	44.8
147.04514	1.2
150.07639	2.7
151.11156	80.5
162.07593	3.5
163.05998	17.3
169.12221	12.8
180.08650	1.8
193.04883	1.8
199.06015	2.4
205.07065	1.1
217.06993	2.1
223.05980	9.3
241.07031	11.7
249.91803	1.3
255.15974	1.5
259.08047	11.7
265.14294	3.2
276.10742	1.7
277.09073	4.3
283.15338	40.2
294.11920	2.2
295.10199	2.9
313.16281	3.9
318.15366	1.4
323.13516	1.3
480.20340	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	480.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	1.7
53.95407	0.5
55.01857	1.7
55.05497	4.1
56.05823	0.6
57.03407	1.0
60.33020	0.6
67.05496	3.5
69.03417	5.9
69.07047	2.3
70.06583	1.3
71.04983	6.1
71.52765	0.8
71.53143	0.7
72.08138	0.6
73.02892	0.9
79.05476	8.2
81.03409	1.2
81.07035	18.8
82.07363	0.6
83.04950	2.7
83.08598	1.2
84.08099	0.8
85.02883	2.1
85.06519	1.3
86.09689	1.6
87.00778	0.7
87.04440	1.0
87.81432	0.5
91.05454	5.1
93.07021	23.0
94.07355	0.7
95.04943	2.6
95.08584	4.6
96.08939	0.7
97.02869	1.2
97.06499	2.5
99.04424	5.7
100.07597	1.3
101.05958	0.7
105.01836	1.0
105.07005	30.3
107.04916	3.8
107.08572	25.7
107.09187	0.4
108.62814	0.5
108.82765	0.6
109.06491	4.3
109.10143	2.1
110.42639	0.5
111.08046	1.0
113.05998	0.6
115.03914	0.7
117.06985	4.3
119.04949	0.7
119.08553	9.6
120.08078	0.9
121.06487	13.8
121.10114	25.8
122.06784	0.6
122.10414	1.5
123.08059	0.9
123.11671	0.9
124.07610	0.6
125.09591	0.7
127.03864	1.2
127.07538	4.8
129.06981	0.8
130.07724	2.0
131.04851	0.7
131.08522	2.5
133.05006	1.0
133.10156	0.8
135.08025	8.4
135.10675	1.1
135.11664	14.5
136.07486	0.6
137.05951	2.5
137.09604	1.1
139.07494	1.2
142.41298	0.5
143.08527	1.0
145.10089	31.9
146.08069	1.1
146.10431	0.9
147.04370	0.7
147.07991	0.8
147.11664	5.0
149.05913	1.0
149.09592	5.1
151.07491	1.1
153.01787	3.0
153.12730	1.0
157.10153	0.6
159.11641	0.6
163.11140	100.0
164.07036	1.6
164.11488	3.8
166.07315	0.7
167.07010	1.0
167.10771	0.8
169.04907	0.8
169.08604	1.3
173.09608	5.2
177.16368	3.6
178.16675	1.2
181.12204	10.5
182.08073	2.9
183.06516	0.8
189.09009	0.6
191.10626	47.0
192.10936	1.2
192.44852	0.6
209.11674	79.7
210.12064	3.2
213.07558	2.5
215.09074	0.6
219.10150	1.5
219.17354	1.8
219.36620	0.6
220.10422	2.1
220.17729	2.3
227.12729	41.2
228.13126	1.2
231.05066	0.8
242.19989	0.6
245.13692	0.6
246.57420	0.5
257.49478	0.5
283.15268	5.2
289.11972	0.9
295.12027	1.2
295.15335	4.2
303.04791	0.8
305.13757	6.6
313.12784	4.0
323.10980	1.3
323.14798	24.5
324.14902	0.9
331.13809	3.6
341.15848	10.1
343.04373	1.6
360.14590	0.7
377.88409	0.6
399.16312	1.1
403.07654	0.6
409.36493	0.6
421.09030	1.5
427.15808	2.4
445.16745	3.2
449.08618	1.3
480.18091	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	479.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69725	3.9
53.57023	4.2
55.05507	30.4
57.06796	5.7
57.07066	94.1
67.05482	19.1
69.07060	49.2
70.51436	4.1
71.04975	7.8
71.08619	87.3
79.05479	13.9
81.07043	56.0
83.04959	12.2
83.08595	28.7
83.66020	4.0
85.10163	52.7
87.04465	7.2
91.05476	4.5
93.07037	29.7
95.08595	46.3
97.06513	10.2
97.10164	24.5
98.20728	9.4
99.08068	8.2
99.11716	7.8
101.06000	34.7
105.06980	6.8
107.08558	26.5
109.06512	9.6
109.10114	25.2
111.08042	6.8
111.11697	16.1
113.09648	4.2
113.13287	4.9
115.07549	8.1
116.74474	4.4
119.08604	5.8
121.10112	25.5
123.08025	5.5
123.11684	16.2
125.05960	14.1
125.09606	9.0
125.13223	5.0
127.07533	93.2
129.05461	100.0
133.10068	6.4
135.11644	24.7
136.07544	14.5
137.09586	4.4
137.13171	5.7
139.03740	3.8
139.07529	7.4
139.11124	4.2
139.14851	4.4
140.06999	5.5
143.06998	9.6
149.13231	18.7
153.05452	6.6
153.12717	5.2
155.07021	19.0
157.08626	6.3
162.02271	4.3
163.14786	17.1
167.14297	11.9
177.16393	10.2
181.12143	5.0
181.15955	5.5
189.16399	4.8
191.17906	5.2
194.15443	4.5
195.17461	5.4
205.19460	8.9
219.21039	7.1
222.14876	12.7
223.15123	9.2
223.20485	6.4
237.22115	6.8
254.61607	4.7
289.28802	12.9
307.29764	9.5
315.30496	11.0
333.31400	17.7
351.32510	10.4
352.33209	5.1
381.33484	12.8
419.35123	6.6
461.38080	26.5
479.36734	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	480.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.5
55.01867	8.1
57.03423	3.8
61.02926	7.9
68.99763	2.7
69.03082	2.7
69.03421	34.6
70.01909	6.7
70.06580	4.2
71.04960	5.3
71.05314	1.6
73.02901	8.6
74.46140	1.8
79.84818	1.6
81.03406	28.1
83.01292	2.0
84.08139	11.5
85.02892	100.0
87.00817	44.9
91.05454	6.9
97.02879	51.2
97.03376	1.1
97.03505	1.9
99.04438	14.3
103.03976	3.9
103.05434	2.7
105.01852	67.7
105.07021	21.6
109.02859	31.6
115.03899	2.4
115.05418	2.0
117.01836	3.2
119.04926	7.8
122.09641	13.2
127.03895	80.6
129.01799	4.1
130.08636	17.5
131.04909	7.2
133.02858	1.5
133.06535	2.3
135.04362	2.8
137.05960	36.5
143.04935	2.6
145.04935	36.4
146.08116	2.5
147.02960	2.1
147.04387	15.2
149.05937	3.6
151.03812	2.4
151.07545	2.6
159.02895	15.0
161.05939	3.6
163.06189	2.4
163.07509	12.0
167.06998	3.4
175.07524	7.6
177.05461	15.5
177.56117	1.7
179.06984	22.4
189.03918	5.2
191.06976	20.6
193.08717	2.6
194.03955	1.9
197.05994	2.0
199.07715	2.2
201.09009	3.5
203.07011	12.5
213.03845	4.0
215.06975	11.8
221.08070	5.5
229.08525	9.0
230.30257	1.5
231.04955	20.6
233.08052	6.7
245.08110	2.5
249.06023	6.2
257.08051	11.9
269.08063	2.9
275.09155	6.1
287.09009	7.1
293.10025	2.6
305.10077	4.8
361.09164	4.4
379.10004	4.2
391.10150	5.3
397.11038	2.3
409.11145	5.5
410.73508	1.7
427.12350	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	479.3724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	4.8
57.07063	65.8
59.40078	4.0
60.82607	3.0
62.67969	3.1
66.86589	3.6
67.05493	3.9
69.07058	11.6
71.04959	16.8
71.08622	66.9
73.06541	3.9
81.07025	10.1
83.08601	6.8
85.10166	50.9
85.81004	3.2
89.06013	42.4
91.05452	3.7
93.07020	9.6
95.08604	8.3
97.10141	6.3
99.11711	9.6
105.07034	9.0
107.08598	9.0
109.10162	5.9
111.11749	4.2
119.08545	6.7
121.10072	5.4
125.05970	58.2
130.98360	4.1
131.08565	3.4
133.10027	3.8
135.08052	7.8
137.06007	4.7
141.05466	5.9
145.10155	4.1
149.13171	3.2
151.07516	32.0
153.05435	100.0
161.13110	3.3
163.07504	12.8
165.09065	27.6
167.06967	3.6
172.46173	3.3
177.09103	12.5
177.42758	3.5
179.10680	15.5
183.06523	8.1
187.11125	3.7
191.10649	13.6
195.79359	4.1
201.90355	3.8
205.12206	5.5
209.11765	4.6
213.23015	3.6
218.05371	3.8
223.13318	4.8
233.15295	5.2
237.14792	6.4
251.16396	8.6
261.18359	5.5
265.17859	10.2
279.19485	9.5
293.21033	9.5
307.22623	9.8
321.24237	8.3
335.25662	7.1
396.19803	3.6
419.35162	58.9
461.35983	10.3
479.37317	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	479.2998
Annotation	Isovitexirone
Peak:m/z	Relative Intensity
53.03935	13.7
54.62849	2.2
55.01850	10.7
55.05504	30.3
55.57021	2.4
57.03185	2.9
57.03429	33.1
57.07050	3.2
65.03921	5.0
67.05493	72.4
68.99741	2.4
69.03069	4.2
69.03421	48.9
69.07051	23.0
69.79948	3.8
69.80338	13.4
71.01328	4.5
71.04977	10.1
73.02892	4.9
79.05482	56.3
81.02974	3.8
81.03406	47.6
81.07041	82.1
83.04970	13.4
83.08607	12.4
85.02893	24.5
85.06509	4.1
87.04468	4.0
91.05463	53.1
93.07021	62.5
95.01340	2.5
95.04958	17.0
95.08588	57.3
97.02879	22.2
97.06505	8.2
97.10191	4.2
99.04424	14.0
99.08082	4.4
102.89910	2.2
103.03927	8.0
103.05453	2.2
105.07014	52.7
107.04929	9.5
107.08585	42.8
109.02874	18.7
109.06491	11.5
109.10146	28.9
111.04425	10.3
111.08041	4.6
113.05977	2.9
115.03893	5.5
115.05421	4.5
117.05463	3.6
117.06992	24.9
119.08565	42.4
121.06485	6.7
121.10122	28.4
123.04440	6.1
123.08042	6.8
123.11672	10.4
125.09610	4.1
127.03900	25.2
128.06218	3.9
129.05449	10.5
129.06993	23.1
131.08560	33.8
133.06424	11.2
133.10121	33.5
135.04366	2.6
135.08002	7.6
135.11674	18.8
137.05981	4.3
137.09552	4.8
141.06973	4.7
143.08549	19.5
145.04935	10.2
145.06442	7.4
145.10094	32.6
147.08023	8.2
147.11652	17.4
149.05952	4.0
149.09595	5.5
149.13261	13.4
151.11086	3.8
153.06960	2.9
155.08511	9.7
157.06453	5.3
157.10071	16.8
159.07990	9.4
159.11661	21.4
161.05986	4.0
161.09595	8.8
161.13242	12.5
163.07487	2.8
163.11128	3.8
166.01843	2.5
167.08525	2.6
169.10112	10.3
171.06628	2.4
171.08018	5.8
171.11630	11.3
173.09654	6.5
173.13232	19.1
175.07455	3.0
175.11166	4.4
175.14821	4.4
177.16347	4.0
181.10034	3.6
183.06482	6.9
183.07996	3.7
183.11690	9.8
185.09616	3.8
185.13239	10.6
187.11227	3.6
187.14752	5.9
189.12721	3.8
193.10263	2.8
195.11687	3.7
197.13263	5.2
199.11232	5.5
199.14804	7.0
201.07556	6.8
201.12799	3.2
201.16415	4.0
205.12210	3.5
209.13226	4.6
211.11217	3.6
211.14828	5.3
213.12741	3.6
213.16321	3.7
215.14336	5.1
217.15756	3.3
225.12619	3.4
241.19511	3.9
243.21071	3.1
259.20630	9.6
261.22113	11.4
273.22125	4.4
275.23776	2.7
277.21338	3.8
285.21994	4.1
291.23233	3.8
299.23685	4.1
301.21524	4.4
303.23187	5.2
306.20605	2.7
307.27237	3.4
311.23471	2.6
315.19772	2.8
315.23056	5.5
317.24658	2.8
323.23660	5.8
325.21567	4.2
327.23224	9.8
329.24725	3.1
333.22049	3.2
335.25702	6.8
339.23111	4.1
341.24646	5.1
345.24225	8.4
351.23157	10.9
353.26740	3.2
357.24207	5.4
359.26035	4.5
369.24173	25.5
375.25522	3.7
387.25266	20.5
389.26935	2.8
401.27124	4.5
405.26303	3.9
419.27844	8.8
425.26862	6.4
426.66980	2.7
429.35712	2.6
431.28122	7.5
443.27902	25.7
449.28775	10.8
461.28937	71.3
479.29919	100.0
480.30203	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	479.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.7
55.01856	3.9
55.05506	15.2
57.03418	6.1
57.07047	2.6
59.04989	2.1
67.05488	19.6
69.03409	6.1
69.07040	6.6
69.76096	4.0
69.76517	7.8
71.04981	3.3
75.04453	7.3
79.05476	24.1
81.03383	1.8
81.07036	28.4
83.04965	59.9
83.08598	5.9
83.70467	1.6
84.04490	5.7
84.08139	1.8
85.02895	3.5
88.16970	1.6
91.05463	31.2
93.07027	100.0
94.07423	2.5
95.04955	14.9
95.08585	13.2
97.02897	2.7
97.06487	3.7
99.04436	5.4
105.04502	2.6
105.07011	16.1
107.04932	2.5
107.08553	9.9
109.06502	3.4
109.10131	2.6
111.04424	33.3
111.08032	12.3
113.05972	2.2
117.06993	3.4
119.08559	19.1
121.06456	5.0
121.10115	77.7
123.04372	1.7
123.08043	4.9
123.11687	5.2
125.05991	2.0
129.05437	2.5
131.04893	1.8
131.08530	10.5
133.10123	4.0
135.08066	2.7
135.11697	1.7
137.05972	2.0
138.91432	1.5
139.11177	6.6
143.08525	2.4
145.10126	5.1
147.08025	2.8
147.11610	9.9
148.88049	1.7
149.09601	19.4
149.13240	4.5
155.08527	2.0
156.07851	1.6
157.10110	2.2
159.11700	2.9
165.09116	2.0
165.12770	5.0
167.10672	5.4
224.08810	2.1
267.15778	9.3
277.14182	10.2
287.20129	2.1
295.15439	7.8
313.16312	4.1
347.15704	2.0
402.21817	2.1
479.29938	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	479.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.0
55.01857	1.6
55.05501	13.6
57.03419	4.4
67.05494	7.6
67.61120	1.1
69.03404	5.4
69.07049	4.9
71.04966	2.6
71.55199	1.8
73.35308	1.0
75.04469	6.7
77.09850	1.2
77.14248	1.0
79.05475	14.6
81.03409	1.3
81.07048	14.5
83.04967	63.5
83.08603	2.7
84.08119	1.4
85.02876	3.6
85.06554	1.5
91.05469	21.6
93.07027	100.0
94.07371	1.5
95.04955	12.0
95.08591	11.5
97.02865	3.3
97.06512	1.6
97.10136	1.8
99.04423	3.9
103.05457	1.7
105.07010	13.8
107.04895	1.5
107.08581	10.3
109.06486	2.5
109.10115	3.0
111.04420	35.2
111.08073	10.4
116.06209	1.5
117.06966	2.2
119.08561	17.1
121.06473	4.2
121.10118	65.2
123.08021	3.9
123.11673	2.3
125.05945	2.2
128.06189	1.3
129.05432	3.7
129.06963	1.9
129.10127	1.2
131.08533	9.4
133.10121	3.2
135.08043	2.9
137.05930	1.6
137.09602	1.2
139.11174	7.0
143.08487	1.6
145.10097	2.8
147.07997	2.9
147.11655	3.1
149.09587	18.6
157.10121	2.7
159.11699	2.0
161.09586	2.5
161.13168	1.3
163.07437	1.3
165.09161	2.2
167.06995	1.2
167.10667	4.4
171.11679	2.1
173.09540	1.5
173.13197	1.4
175.10992	1.4
177.09067	1.4
185.13168	1.7
189.12773	1.8
195.06505	1.1
198.44630	1.0
203.10611	1.6
209.07889	1.6
213.12675	3.4
217.63492	1.1
231.13705	1.8
233.09129	1.5
241.12166	1.9
241.19594	1.2
259.13184	3.0
277.14392	9.0
295.15332	6.6
322.05643	1.2
443.24222	1.0
461.26398	1.4
461.32730	7.0
479.26151	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	479.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91837	1.0
53.03945	1.2
55.01850	1.7
55.05508	6.5
57.03433	7.1
67.05165	1.2
67.05492	15.5
69.03405	1.5
69.07056	10.1
70.22249	1.6
70.22602	2.6
71.01330	0.8
71.04987	1.7
75.17555	1.0
79.05478	7.6
81.07042	46.4
83.04953	3.9
83.08605	6.1
84.04472	1.7
85.02891	4.5
85.06512	3.6
91.05466	13.1
93.07021	7.9
95.01313	2.5
95.04926	2.8
95.08588	11.8
97.02863	1.1
97.06527	4.1
99.08066	3.2
105.07004	20.1
106.07370	1.5
107.08556	7.9
108.08909	1.1
109.06484	3.4
109.10118	2.0
113.06060	1.3
119.07798	1.2
119.08568	17.5
120.08029	1.1
121.09292	1.4
121.10113	14.3
122.10443	1.2
123.08018	2.4
123.11691	19.3
125.80000	0.9
127.03906	1.2
127.07554	2.3
129.06938	1.7
130.04950	0.9
131.08572	1.1
133.10098	5.1
134.02158	0.9
134.10443	3.4
135.11656	1.3
137.09592	0.9
137.13226	1.9
141.01797	3.5
145.10081	1.0
147.11659	46.2
157.10088	2.7
165.11397	1.2
165.12741	22.5
171.09444	0.9
175.11140	3.1
175.14798	2.1
176.15076	2.5
177.16364	3.8
178.16731	5.6
183.13765	2.7
193.12169	2.7
193.15703	0.8
193.45511	0.8
194.16235	1.5
203.38173	1.0
205.02335	0.8
229.14297	10.0
229.69023	0.8
267.15866	49.4
268.16168	1.6
285.16907	100.0
286.17218	3.9
425.17929	1.0
443.19110	3.0
461.20197	6.1
480.74091	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.3
55.01870	1.8
55.05507	1.5
56.05025	72.9
57.03413	1.4
58.06582	11.6
60.04508	1.1
61.01139	44.0
67.05501	1.5
68.01366	1.1
69.03415	2.2
69.07070	2.3
70.02945	3.9
70.06582	15.7
71.04980	1.4
71.43247	1.9
72.08142	2.8
73.02891	4.0
74.06065	100.0
75.02684	1.4
80.05018	1.9
81.03400	2.6
81.07054	2.1
82.06570	2.8
83.04951	1.1
83.06072	1.4
84.04478	11.2
84.08124	9.8
85.02882	6.2
86.06059	2.8
86.09687	40.7
88.02188	1.7
88.03964	8.5
91.05450	2.3
93.07045	1.8
95.04928	1.2
95.08593	2.3
97.02878	1.9
99.04485	1.3
99.05611	1.5
100.03944	1.5
100.07599	3.5
101.07106	2.8
102.05514	2.5
103.03925	2.2
104.05308	85.2
105.07038	1.9
106.02875	2.3
107.08595	1.8
108.04469	6.9
109.02884	2.3
109.06490	1.2
110.06032	4.5
110.07127	1.8
111.05544	1.3
112.11224	2.8
116.07139	1.3
117.07016	1.2
119.08578	1.7
120.04471	3.2
120.08099	3.3
121.06496	2.2
121.10059	1.4
122.02737	1.2
123.04391	1.7
123.08086	1.2
124.03921	5.4
124.07544	3.0
124.11211	2.1
125.07087	3.7
126.05487	26.4
127.03884	4.2
127.08660	4.6
128.04259	1.2
129.06590	2.8
129.10202	2.3
130.04991	5.0
130.06848	4.2
130.08601	3.7
131.04916	1.7
132.10175	25.2
134.02669	1.4
136.03908	2.7
136.07574	2.7
137.05956	4.4
138.05484	1.8
141.13824	4.8
142.12250	1.9
143.04610	1.5
144.06534	24.0
145.04967	2.2
145.06058	4.7
147.04405	3.2
147.08000	1.7
149.06010	1.7
151.03822	1.4
151.07571	1.3
152.07025	1.8
152.10818	1.1
153.06586	4.6
154.04985	4.1
156.04770	6.7
158.11736	3.1
163.05920	1.6
167.07008	1.9
169.13300	5.3
171.07622	7.1
174.05791	20.4
175.06229	1.2
175.08919	2.0
179.05035	1.4
179.06976	1.1
181.06151	1.3
187.14360	9.1
189.08694	12.9
197.12822	6.9
199.07137	3.0
201.06902	23.5
202.05341	4.4
215.13872	53.1
217.08160	21.9
219.07938	18.5
227.84528	1.1
229.06479	1.3
232.05797	1.1
233.14915	92.9
234.15205	1.6
238.15495	1.3
243.13345	3.2
247.07434	52.0
263.14206	1.8
268.08142	3.0
284.10559	1.4
284.15982	5.7
299.13080	1.3
302.11652	2.3
304.09598	2.0
312.15521	1.6
317.06415	4.3
317.11343	3.7
318.05823	1.4
320.12671	2.4
330.11093	6.8
330.16495	20.5
332.09125	1.5
338.11200	1.3
348.12170	40.2
348.17432	8.1
349.12277	1.4
358.16400	1.2
397.19006	1.7
415.19922	4.8
443.19592	7.8
452.11734	1.2
461.16025	1.8
461.20682	24.8
479.16138	4.5
479.22351	7.8
480.15015	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	479.1172
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
53.03923	0.6
55.01850	0.7
55.92918	0.2
57.03431	1.0
61.02912	1.7
65.03940	0.2
67.05476	0.5
67.84882	0.2
69.03075	0.2
69.03416	3.8
69.07056	0.4
69.86826	0.2
69.87164	1.1
70.06579	0.3
70.79378	0.2
71.01357	0.2
71.04980	0.8
72.08143	0.3
72.62280	0.2
73.02902	0.5
78.92466	0.2
79.05476	0.3
81.03400	2.0
81.07021	0.6
83.12851	0.2
84.08131	0.3
85.02891	11.2
85.06496	0.2
87.04440	0.4
91.03918	0.7
91.05443	0.5
92.02600	0.9
93.03384	1.1
93.07015	0.7
95.08575	0.5
97.02869	3.6
97.06520	0.2
98.21457	0.2
99.04436	0.7
100.07619	0.2
105.06973	0.4
107.08562	0.5
108.46278	0.2
109.02873	1.1
109.10120	0.5
119.08537	0.3
121.02852	1.0
121.10091	0.4
122.06002	0.2
123.11677	0.3
126.03065	0.3
127.03902	1.9
133.10101	0.3
135.08002	0.3
135.11697	0.3
137.02304	0.3
139.03893	0.9
140.07004	0.2
145.04916	1.8
151.03876	0.7
153.01801	7.8
153.17950	0.2
155.04976	0.2
163.03813	0.2
163.11186	0.2
165.01808	0.7
173.05949	0.2
177.05423	0.3
183.04460	0.2
186.95833	0.2
200.04607	0.2
201.05487	0.9
203.03354	0.5
217.04930	0.6
218.05687	0.5
219.02898	0.3
228.04123	1.4
229.04913	3.4
231.02863	0.4
243.06773	0.2
245.04427	1.3
246.05168	1.6
251.20076	0.4
257.04404	2.4
260.03165	0.4
273.03897	1.4
274.04684	4.3
284.03033	0.6
285.03882	4.1
286.04437	0.2
288.06271	0.2
301.03534	0.3
302.04166	12.6
317.06494	100.0
318.06915	1.6
441.64630	0.2
479.19669	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2922
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
51.54979	0.9
53.03921	1.0
54.40508	1.1
55.05507	8.6
57.03415	3.4
57.07063	1.4
62.06079	22.7
67.05491	22.2
69.07056	14.5
70.69195	2.5
70.69543	1.7
71.04975	1.2
71.08601	1.2
74.56070	0.9
74.83533	0.9
76.52732	1.0
79.05472	3.9
81.06576	2.0
81.07040	20.4
83.08617	6.9
85.05270	1.5
91.05474	2.8
93.07034	6.7
94.22550	1.0
95.08595	19.0
97.10179	2.5
98.06039	8.0
98.98464	4.6
105.07007	2.5
107.08569	3.1
109.10119	5.2
119.08492	1.8
119.48158	1.1
121.10085	2.2
123.11686	1.8
124.01572	1.4
125.69229	1.2
133.10100	2.4
135.11604	2.3
137.13269	1.5
155.01015	4.2
161.13080	1.2
198.05312	1.9
211.18805	1.1
212.42499	1.2
216.06297	2.2
245.22618	2.8
263.23669	4.9
301.18179	1.2
306.27853	100.0
307.28192	2.6
337.27316	72.8
338.27600	2.3
417.23691	1.5
460.28079	6.1
478.19409	3.3
478.29272	3.3
494.88440	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04845	1.5
55.01847	1.7
55.05500	10.2
56.05022	6.3
57.03412	3.8
57.07058	3.2
60.04515	77.0
61.02914	2.3
63.07419	1.5
67.05499	10.9
69.03407	9.8
69.07053	6.8
69.70538	10.6
70.06573	3.1
72.04493	4.7
73.02888	2.2
74.06069	6.8
79.05465	7.4
81.03408	4.8
81.07040	16.0
83.04963	13.8
83.08607	6.3
84.04502	3.8
84.05289	1.9
85.02882	14.4
86.06056	3.6
91.05477	14.5
92.05817	1.9
93.07027	25.4
94.07356	3.3
95.04960	5.3
95.08579	10.5
97.02872	7.2
97.06540	2.0
97.10171	3.6
98.06031	2.4
98.21418	2.0
99.04445	2.5
102.05534	6.0
104.07085	1.5
105.07033	5.6
107.08570	5.7
109.02863	3.1
109.06506	1.8
109.10158	6.1
111.04405	8.8
111.08094	2.6
112.04794	1.7
117.07053	1.6
119.08574	8.5
120.08891	3.1
121.06546	2.5
121.10139	13.4
122.10449	3.1
127.03899	3.2
131.08531	1.8
133.10121	1.7
135.11682	2.8
137.60992	1.5
139.11246	2.1
145.04901	2.1
145.10081	2.0
147.11743	2.1
149.09627	2.1
150.09981	1.5
155.08466	2.3
157.98094	1.6
161.09567	1.8
180.07556	1.5
204.08640	2.1
206.10236	3.3
224.11311	5.6
264.30173	1.7
277.14386	3.4
278.14679	3.1
280.26245	11.6
295.15482	2.0
296.15686	1.9
298.27399	10.6
316.28391	100.0
317.28809	1.7
358.29636	5.7
460.27484	2.5
460.32767	5.1
478.19443	3.7
478.33820	69.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.4093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28901	1.6
55.05492	2.1
57.03416	5.0
57.07065	100.0
59.04990	36.9
67.05508	2.4
69.07055	5.7
71.08620	75.9
71.09011	4.3
71.53458	2.8
71.53853	2.7
75.04489	2.0
79.05488	2.7
81.07040	3.8
83.08600	3.8
85.10167	63.8
87.21266	1.8
93.07036	2.4
95.08581	4.2
97.06519	6.3
97.10188	3.3
99.11722	12.6
101.09646	4.4
111.11697	2.5
113.13226	5.4
115.07551	23.3
117.09104	11.3
126.57430	1.8
141.02296	1.9
155.14259	2.5
155.17911	11.8
173.38652	2.2
175.26291	2.3
191.12875	2.3
203.81329	2.2
213.22093	23.9
219.01643	1.8
231.12595	2.0
249.16846	2.6
271.26331	22.1
478.40771	3.8
479.24261	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	478.292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.4
55.01848	0.3
55.05506	4.0
57.07058	0.7
62.06072	1.0
65.59058	0.4
67.05494	6.2
67.87450	0.3
67.90179	0.3
69.07062	4.3
71.17608	0.6
71.17961	0.4
79.05485	1.1
81.07044	4.7
83.08617	1.5
84.63291	0.3
85.05284	1.4
86.06052	0.5
91.05462	0.8
93.07024	1.3
95.08594	3.3
97.10154	1.1
98.06039	9.4
98.98437	0.5
105.07014	0.4
106.94021	0.3
107.08587	0.5
109.10147	1.1
112.07603	1.4
115.50934	0.4
119.08537	0.4
123.11670	0.4
124.07620	0.4
138.09120	0.4
152.10599	0.4
154.12160	0.6
168.13812	0.7
178.67664	0.3
182.15292	0.3
208.16911	0.7
222.18382	0.4
224.20001	0.3
306.27859	100.0
307.28244	3.4
324.28827	0.6
337.27310	1.2
422.08389	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2922
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
53.48154	0.5
55.05507	11.0
57.03191	0.6
57.03434	6.2
57.07060	1.7
61.75465	0.6
65.03925	0.9
67.05496	23.2
69.06679	0.7
69.07059	14.3
70.69147	1.1
70.69527	1.1
79.05487	5.8
81.07047	23.5
83.08613	7.2
85.06525	0.8
91.05484	3.8
93.07036	6.7
93.65596	0.7
95.08596	17.6
97.06516	2.0
97.10140	2.9
98.06026	1.7
99.08062	0.5
101.90068	0.6
105.07027	3.1
107.08556	3.6
109.10130	6.0
111.11723	0.9
119.08559	2.6
121.10111	3.2
123.11717	2.9
131.80482	0.7
133.10088	2.1
135.11671	1.4
137.03926	0.5
137.13254	1.5
142.92926	0.6
147.11659	1.7
161.13245	1.0
163.14780	1.0
175.14928	0.7
176.71948	0.6
216.06377	0.7
263.23517	1.3
306.27884	16.7
307.28238	0.8
337.27328	100.0
338.27655	5.1
359.85590	0.6
445.45163	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.7
55.05500	5.0
57.07062	1.8
62.54449	0.7
64.19518	0.6
67.05498	3.3
69.03411	1.6
69.07058	8.4
69.98753	1.5
69.99141	1.3
70.06567	1.0
71.04970	2.0
79.05472	3.6
79.74483	0.6
81.03407	1.2
81.07043	14.2
83.08610	5.7
84.08115	0.6
85.02899	4.4
85.06519	0.9
87.00812	1.9
91.05458	1.9
93.07034	10.5
95.08591	27.9
97.02873	2.0
97.10136	3.2
98.21437	0.8
99.08085	2.9
105.01854	8.0
105.07001	2.2
107.08575	22.3
108.08898	0.6
109.02825	0.9
109.10147	5.8
111.08063	1.0
112.85635	0.6
113.09631	1.9
119.08515	1.1
121.10123	37.2
123.08038	0.8
123.11648	0.9
125.09576	0.8
126.84108	0.6
127.03838	4.1
130.08586	0.7
133.10118	1.8
133.72166	0.6
135.11671	6.6
137.13252	3.4
139.11179	0.8
145.04932	3.2
147.11665	1.3
149.13206	2.4
175.14755	2.7
177.16359	100.0
178.16685	1.9
183.27664	0.6
195.17419	8.0
197.08777	0.6
220.11702	1.1
231.04938	2.4
249.06042	2.6
265.09879	0.6
273.83075	0.6
284.09775	1.6
285.16919	2.1
318.77856	0.7
353.11255	1.7
359.19586	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05276	1.3
53.03933	5.2
53.55053	1.2
55.01859	5.4
55.05503	4.0
57.03426	4.4
57.07074	1.5
61.02914	6.8
67.05482	5.2
68.99788	2.4
69.03418	35.0
69.07052	5.8
70.06572	2.5
70.68970	2.7
70.69321	3.3
71.04970	6.3
72.08167	1.6
73.02908	6.2
79.05481	5.7
81.03403	20.5
81.04130	1.4
81.07035	12.2
83.08600	4.0
84.04477	3.1
85.02889	89.7
87.00813	53.0
87.01349	3.0
87.04444	1.5
91.03921	1.8
91.05473	5.7
93.07025	11.0
95.04962	4.4
95.08595	16.7
97.02877	46.7
97.06522	1.5
97.10138	2.5
99.04440	13.9
99.08078	4.5
105.01846	100.0
105.07000	8.0
107.04928	2.7
107.08575	18.7
109.02859	27.6
109.10108	6.7
111.08127	1.8
115.03918	2.2
117.01844	2.2
117.06998	1.6
119.08551	5.6
121.06444	1.9
121.10123	27.8
121.47551	1.3
122.01031	1.2
123.11684	3.8
124.07578	1.4
127.03894	72.5
129.01834	3.3
130.05005	2.3
131.08498	3.1
133.06407	1.7
133.10103	5.8
135.08054	5.2
135.11665	6.5
136.06137	2.6
136.07614	1.5
137.05998	1.7
137.13260	1.8
143.08549	3.0
145.04930	44.9
145.10120	5.6
147.02907	2.0
147.04378	1.6
147.11644	3.5
149.13184	2.1
157.10020	2.2
159.02858	13.8
159.11662	3.8
161.13220	2.5
163.11099	2.1
163.14798	1.8
165.09085	2.3
171.02759	1.5
171.11664	4.9
173.13170	2.6
175.14824	5.2
177.16354	45.9
183.11668	1.7
187.14728	2.4
189.03850	3.1
189.12683	2.8
195.17287	7.2
199.14726	2.8
201.16354	4.8
207.13696	3.0
209.13252	2.3
213.03877	3.3
217.12241	1.4
217.15822	1.9
219.17355	2.3
227.14307	2.8
231.04959	30.5
235.13290	2.2
243.17424	3.4
249.06047	11.3
249.16183	2.0
261.83185	1.5
265.09659	1.6
267.17520	3.1
285.18494	9.1
289.05154	1.3
339.14362	1.8
353.11325	1.9
365.54431	1.5
371.18042	1.7
389.19376	3.6
407.20514	6.0
478.19485	1.9
479.18768	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	478.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.2
55.05503	4.4
57.07061	0.9
59.75427	0.7
60.67623	0.7
67.05499	3.6
69.03424	3.1
69.07062	8.0
69.39241	7.0
70.12875	0.8
71.04981	2.3
73.48347	0.7
79.05497	4.1
81.03406	1.5
81.07045	12.2
83.08611	6.4
84.04488	0.8
84.08112	0.9
85.02895	5.9
87.00849	1.8
91.05464	2.7
93.07030	11.0
95.08595	27.4
97.02879	1.9
97.10161	2.4
99.08090	3.6
102.05422	0.7
105.01862	7.2
105.03333	0.9
105.07021	2.2
107.04915	0.7
107.08578	22.8
109.02872	0.8
109.06483	0.9
109.10155	6.1
113.09631	1.8
115.19588	0.8
121.10132	40.2
125.09615	2.2
127.03909	6.0
133.10173	1.0
135.11674	7.3
137.06030	1.0
137.09595	2.1
137.13243	4.9
139.11145	1.0
139.78757	0.8
145.04976	3.7
145.24028	1.0
147.11676	0.9
149.13260	1.8
151.07622	0.9
159.02782	0.9
161.05956	0.9
167.07008	1.7
177.16362	100.0
178.16776	1.9
180.41791	0.8
189.33415	0.8
195.17422	7.9
219.10124	2.8
219.17476	2.8
231.04962	3.4
248.07693	0.9
249.06096	2.7
267.21088	0.8
284.09750	3.3
317.06622	1.1
355.04590	0.8
355.10068	1.2
359.14865	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.1
55.01852	2.3
55.05506	3.9
57.07063	0.8
59.04987	0.7
64.20202	0.7
65.03938	0.8
67.05206	0.7
67.05492	6.5
69.03423	4.0
69.06787	0.6
69.07054	6.2
70.06564	2.1
71.04969	3.2
71.52345	1.4
71.52703	0.7
72.08110	0.8
73.02871	0.8
76.02218	1.7
77.03920	0.9
79.05484	12.5
81.03398	2.7
81.06584	1.2
81.07043	20.8
83.04952	4.4
83.08597	1.0
83.60655	0.7
84.04476	2.9
84.08112	1.5
85.02891	7.5
85.06513	2.6
86.06028	0.8
86.09680	0.9
87.00805	3.2
91.05463	9.0
93.07028	32.0
93.07626	1.5
94.06500	0.9
95.04935	4.7
95.08594	9.4
97.02889	2.0
97.06522	5.2
97.10138	0.8
99.04446	7.0
99.08066	1.9
103.05475	0.9
103.87926	0.7
105.01865	4.3
105.07009	14.1
107.04931	6.1
107.08577	15.9
109.02847	2.6
109.06493	14.3
109.10125	2.4
111.08087	3.6
111.11734	0.9
113.05959	1.2
115.03864	0.8
117.05715	0.7
117.06985	3.9
118.06534	0.7
119.04900	0.9
119.08556	10.9
120.04440	0.8
121.05660	1.5
121.06480	20.7
121.10114	7.0
122.05939	0.7
123.08034	2.0
123.11668	1.8
124.07558	7.9
125.05999	1.7
125.09589	1.1
127.03899	6.0
127.07523	4.2
128.06207	1.0
129.06984	2.6
130.04918	0.9
130.08647	0.8
131.04774	0.7
131.08543	5.5
133.06464	2.4
133.10103	8.4
135.04395	6.5
135.08031	9.9
135.11685	4.0
136.06145	4.3
137.05951	6.1
137.09605	1.8
139.07498	1.9
139.11130	2.6
142.07709	1.5
143.08530	8.1
145.04945	2.1
145.06483	1.2
145.10091	8.2
146.05975	2.2
147.04355	1.1
147.08025	4.0
147.11653	18.8
149.05974	0.9
149.09613	1.0
149.13205	1.1
151.07526	1.8
151.11124	1.0
153.06956	0.7
153.09081	2.9
156.09302	2.5
157.10106	9.7
159.07997	1.1
159.11693	1.1
161.06006	1.1
161.09575	3.0
161.13231	4.5
163.11131	3.5
165.06900	0.8
165.09030	1.1
166.07735	1.4
171.08008	0.9
171.11665	13.7
172.03934	1.4
173.09589	6.0
173.13240	2.4
174.05449	2.1
175.07536	1.3
175.11171	12.3
175.14720	1.0
177.16406	4.1
179.04875	1.1
179.08401	0.8
180.08759	1.6
181.10007	1.9
187.03862	0.7
189.09056	0.9
189.12706	17.5
190.05017	1.9
191.10666	2.5
192.10239	1.1
192.98676	0.8
193.12189	4.2
195.13724	0.7
195.17436	4.1
198.11263	1.1
199.11157	13.6
207.13751	10.9
209.10725	1.0
212.10730	1.3
213.18405	4.5
216.06741	0.7
217.12196	43.5
218.12651	0.8
223.12140	1.7
225.10161	2.4
230.11723	1.6
231.04979	2.1
235.13243	100.0
236.09351	3.5
236.13466	1.5
237.10164	10.7
239.11723	0.9
249.06241	0.9
249.10147	2.3
250.10918	1.3
251.11723	9.3
252.08890	2.0
252.12349	0.9
253.09712	3.7
253.14319	36.5
263.06931	0.8
264.08759	0.8
265.09683	13.0
267.11279	5.1
269.12756	1.2
279.11224	10.3
280.11960	1.6
281.12939	1.2
283.10660	1.5
285.12476	0.9
287.10141	1.7
293.09201	9.4
294.09857	1.1
295.10651	3.4
297.12253	6.4
307.10663	3.7
309.12259	2.8
311.09735	1.5
312.10849	1.1
313.11972	3.8
315.13284	1.8
321.13290	5.4
324.10977	1.0
325.11841	9.6
335.10135	9.9
337.11798	0.9
338.12778	1.0
339.14337	19.0
353.11249	52.9
354.11807	2.5
357.15347	3.3
436.18466	1.4
460.18054	0.8
460.26364	0.9
478.19809	13.3
479.19235	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.1
54.74617	1.9
55.01858	3.4
55.05499	3.4
56.05013	5.3
57.03428	4.0
58.99566	2.8
60.04511	2.0
61.01141	3.1
61.02899	2.7
64.12743	1.7
68.05003	2.2
69.03420	16.3
69.71061	10.3
70.02909	2.1
70.06581	30.7
71.04966	5.5
72.08127	6.7
73.02911	5.2
74.02497	2.2
74.06055	5.8
75.02730	1.8
76.02207	2.2
79.05464	3.7
81.03405	18.4
81.07034	4.6
81.54461	1.9
82.06570	4.1
83.04964	2.5
84.04482	7.0
84.08131	21.0
85.02888	79.5
86.06055	2.7
86.09714	12.9
87.00809	3.3
87.04449	3.7
87.05582	2.7
88.02202	3.2
88.03980	4.4
91.05460	4.9
93.07015	3.0
94.06563	2.2
95.04943	2.6
95.08594	2.8
97.02879	36.5
97.03493	1.9
98.20777	2.2
99.04441	43.6
100.07590	4.8
102.05521	2.6
103.03928	85.0
104.05290	5.5
105.01821	2.8
105.07006	11.1
105.34409	1.8
107.04922	5.3
107.08592	4.2
108.04450	2.2
109.02850	25.5
109.06458	1.9
110.06018	2.4
110.07158	3.6
115.05433	2.4
116.07053	3.5
117.03332	2.4
119.04891	4.4
119.08556	5.9
120.04457	4.8
120.08079	6.4
121.06483	3.1
122.02695	7.7
123.04419	5.0
126.05463	2.8
126.09113	2.3
127.03892	100.0
128.07077	2.8
129.10188	3.8
130.04935	2.4
130.08621	15.9
131.04857	2.7
133.06462	2.5
133.10120	7.2
135.08076	3.2
136.07610	4.8
137.05966	23.6
138.05461	3.6
140.07054	2.6
145.02841	6.9
145.04929	58.6
147.04355	7.0
147.07802	3.2
149.05977	4.2
150.05522	2.1
151.07545	3.0
154.08618	9.3
156.06503	2.7
161.05942	6.0
161.09596	7.2
163.05998	61.9
163.07382	5.9
163.11151	5.3
165.05460	8.8
167.06963	13.9
175.07471	3.4
177.05412	11.4
179.06992	4.5
179.10596	5.4
187.05943	4.6
189.09016	3.3
189.12691	2.9
190.04832	2.1
193.98706	2.1
195.10153	6.0
198.11206	2.6
203.06955	3.6
205.06972	8.2
207.10167	3.5
212.07060	2.5
213.11166	19.6
215.14035	2.6
221.08058	5.8
233.08070	2.6
233.14972	4.6
240.06493	2.3
241.06870	2.9
245.08134	9.8
247.07890	5.7
259.11194	3.1
263.09119	12.4
263.13791	9.8
271.08084	6.3
271.50015	1.9
277.09122	1.9
281.10236	3.3
283.72037	1.8
289.09082	7.5
299.11029	2.0
305.01102	2.6
307.10214	14.2
323.11066	9.4
336.10944	4.1
337.10989	12.0
373.23996	2.3
398.35568	2.4
407.13254	2.5
412.15869	3.8
425.14392	4.9
443.15308	2.8
478.15164	2.9
478.22119	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	478.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11903	0.3
55.01846	0.5
56.05010	0.9
58.99578	0.7
61.02898	0.4
67.04239	4.6
69.03412	1.7
70.06580	0.9
71.54768	0.6
71.55145	0.5
72.08092	0.5
73.01143	0.8
74.00653	1.4
76.02213	0.5
81.03388	0.6
84.04485	0.5
84.08117	1.9
85.02894	3.4
86.00635	1.0
86.09737	0.5
88.84302	0.4
91.05456	0.6
95.04955	0.4
96.04439	0.7
97.02850	2.2
100.02186	100.0
101.02502	1.1
102.05522	0.9
103.03953	0.6
105.07016	10.3
107.04948	0.9
109.02884	0.7
110.06045	0.8
114.05506	2.1
120.04440	0.4
122.09653	5.6
123.04417	1.1
127.03896	1.1
129.04794	0.7
130.04984	1.6
130.08612	1.8
132.01137	0.7
133.06421	0.6
136.07373	0.5
138.05403	0.6
145.04907	0.6
146.06029	0.8
147.04370	2.2
156.06552	0.9
157.04292	4.4
158.02672	3.7
161.87430	0.4
165.05466	0.8
173.06122	0.4
175.05376	2.0
175.07408	0.5
177.05440	0.9
179.10713	0.5
180.06406	0.5
185.03755	0.8
188.07072	0.9
196.04332	0.5
203.04816	67.7
204.05139	1.3
205.09706	0.5
207.06459	0.4
213.06895	10.4
221.08089	0.8
245.08046	0.5
255.07881	0.6
272.87167	0.4
276.10736	1.5
281.10178	1.3
303.01434	0.4
316.09540	15.6
358.10550	1.0
375.12125	3.0
403.11285	0.5
478.14865	17.4
479.16101	0.9
486.77997	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	14.9
55.05503	72.4
57.03428	9.3
57.07062	3.5
59.04990	4.6
65.03918	4.4
67.05495	68.2
69.03402	12.4
69.07051	26.5
69.19010	34.2
70.06563	4.4
71.04970	4.0
75.04456	3.4
77.03902	2.9
79.05479	65.6
81.03394	11.5
81.07043	59.6
83.04967	72.5
83.08603	38.7
85.02879	9.6
85.06541	7.3
87.04429	3.0
89.06036	3.8
91.05466	81.2
93.07031	100.0
95.04948	24.7
95.08601	37.9
97.06503	5.5
97.10151	56.6
98.20652	5.1
99.04456	3.5
103.05463	14.6
105.03362	4.3
105.07021	51.7
107.04966	14.4
107.08572	45.9
109.06500	10.4
109.10140	16.8
111.04418	36.8
111.08084	14.7
115.05403	10.8
117.07005	47.0
117.81973	2.8
119.04877	5.2
119.08560	59.1
121.06476	13.4
121.09296	5.7
121.10117	54.8
121.10927	5.3
123.04406	3.8
123.08038	7.8
123.11677	6.1
125.09604	43.7
128.06178	5.9
129.05524	5.7
129.06985	29.2
131.04926	7.4
131.08553	35.2
133.06479	10.7
133.10130	14.5
135.08025	16.5
135.11639	8.2
135.61334	2.9
137.06003	5.3
137.09590	5.8
141.06970	10.2
142.07753	3.1
143.08507	13.6
145.06467	14.9
145.10123	19.6
147.08032	20.3
147.11646	6.1
149.09604	20.2
152.75687	3.5
153.09074	7.4
155.08551	11.3
156.09308	3.4
157.06424	4.6
157.10103	12.4
159.08058	8.3
159.11656	8.4
161.05949	3.0
161.09605	3.3
163.11147	6.0
165.09129	13.7
165.12813	3.7
167.08551	4.9
169.10136	9.7
170.10718	2.9
171.08032	7.8
171.11659	12.5
173.09608	6.0
179.08569	4.9
181.10103	6.0
183.11665	5.2
185.09593	4.3
185.13272	7.4
187.14806	13.1
189.11206	26.5
189.12782	4.9
193.10123	4.0
195.11705	4.9
197.09561	4.6
197.13188	14.3
199.11186	4.1
203.10524	3.3
203.14265	3.6
207.11581	3.7
209.11604	3.7
209.13367	5.6
211.11037	3.6
213.12685	6.1
215.14293	42.8
217.12207	3.8
225.12726	4.8
227.12691	20.9
231.13751	5.1
233.15282	13.1
259.13147	3.3
271.16821	3.8
273.14749	4.8
277.14334	11.6
295.15414	9.7
313.17947	4.1
339.23157	7.8
349.21548	12.3
357.24292	4.7
367.22662	37.1
368.22961	3.8
385.23627	39.4
385.27905	4.6
403.24762	20.2
441.26633	13.8
459.27438	88.4
460.27567	7.0
477.28638	70.2
478.28784	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	477.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29892	1.8
52.98135	1.6
53.03933	5.5
55.01851	7.0
55.05497	20.8
57.03418	4.8
60.33381	1.5
65.03918	2.0
65.05113	1.7
67.05489	10.2
69.03416	16.4
69.07050	2.6
70.73875	3.9
70.74249	2.9
71.01328	3.3
71.04975	4.1
71.26366	1.7
75.04472	4.9
79.05053	2.3
79.05481	27.1
81.03386	3.1
81.07053	21.0
83.01345	1.9
83.04967	99.4
84.04474	2.0
85.02887	8.2
91.04898	2.4
91.05461	57.7
93.07027	100.0
95.04955	15.7
95.08585	17.4
97.06477	2.8
98.21403	1.9
99.04439	5.4
103.05439	3.4
105.04534	1.8
105.07002	26.9
107.04955	3.8
107.08569	17.2
109.02813	1.8
109.06483	6.5
109.10124	6.4
111.04424	55.5
111.08044	7.6
113.05995	3.0
117.06995	13.2
119.04915	2.0
119.08559	68.1
121.06460	9.0
121.09306	3.7
121.10125	64.7
123.04458	1.8
123.08044	5.7
123.11674	4.1
125.05981	2.1
128.06143	3.1
129.05490	10.8
129.06982	8.2
131.08543	13.7
133.10141	4.0
135.08064	12.9
135.11644	2.7
137.05949	2.6
137.09572	5.7
139.07468	2.4
139.11156	3.6
139.60942	1.8
143.08536	7.5
145.10123	4.8
147.08014	26.9
147.11633	3.4
149.09578	30.3
151.07503	2.2
155.06952	2.9
155.08464	2.2
157.10181	4.3
159.08003	3.2
159.11642	5.0
161.09561	5.0
161.13261	1.9
163.07521	2.8
163.23587	2.1
165.09058	17.0
167.10645	4.5
171.11646	4.7
173.09613	3.6
173.13213	1.9
175.11182	3.5
177.09163	3.0
183.11664	2.8
193.10028	2.2
195.11624	2.5
203.10637	2.9
209.13184	1.9
211.11281	2.6
211.14796	2.7
213.12720	2.3
231.13756	2.7
233.15352	2.1
234.10123	2.0
239.17928	2.5
257.15485	2.3
259.13321	2.5
267.17438	6.5
277.14255	18.0
285.18518	6.0
293.13803	3.9
295.14984	14.5
313.17963	7.9
331.18930	2.2
385.23813	2.5
423.37497	2.3
425.54172	2.0
441.22989	2.9
459.23544	10.6
477.23923	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	477.4081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	17.4
57.07070	9.4
59.04976	2.7
65.03934	1.7
67.05492	34.6
69.07051	28.3
70.79324	3.9
70.79662	1.6
71.04977	16.8
71.08608	4.3
78.40406	1.1
79.05481	24.0
81.07037	94.9
83.08610	13.4
85.06487	4.2
85.10158	1.5
91.05453	23.9
93.07022	79.1
95.04948	8.0
95.08585	98.0
97.06488	1.6
97.10114	12.9
105.04439	1.7
105.07003	58.8
105.19341	1.3
107.08567	58.8
109.06495	7.7
109.10127	53.9
111.08051	10.4
111.11684	4.9
113.09624	4.9
117.06973	7.9
119.08548	77.4
121.10107	56.2
123.08030	2.3
123.11681	26.7
123.87077	1.4
127.07532	2.3
129.06956	2.6
131.08525	17.0
133.10101	37.6
135.11656	32.0
137.09573	9.7
137.13243	5.8
139.07529	5.7
139.11110	1.7
142.07744	1.9
143.08568	4.9
144.09300	1.6
145.10092	32.3
147.11655	31.6
149.09602	2.2
149.13219	47.2
151.11125	3.6
151.14793	2.6
157.10080	9.8
159.11653	40.0
161.13225	33.0
161.14557	1.6
163.11124	2.9
163.14769	26.7
169.10118	3.9
170.10797	1.6
171.11621	9.8
173.13239	24.2
175.11223	1.5
175.14775	22.4
177.12698	3.5
177.16339	11.0
179.14235	2.4
183.11639	2.5
185.13196	6.7
187.14790	18.8
189.16327	19.4
191.14323	1.6
191.17894	8.0
197.13269	3.3
199.14792	8.0
201.16356	13.7
203.17908	20.0
205.15849	2.8
211.14919	2.2
213.16354	8.3
215.17924	13.7
217.15988	1.7
217.19453	22.3
225.16318	3.3
227.17932	5.9
229.19417	11.4
231.20920	9.1
239.17888	3.1
241.19319	3.2
243.21022	4.6
245.22676	2.1
255.21066	6.1
257.19904	2.0
257.22507	12.6
259.24164	6.7
269.22549	3.1
271.21097	1.6
271.24188	4.4
281.22574	2.0
283.24185	3.8
285.25659	8.1
297.25745	3.3
299.27295	2.3
309.26059	1.8
323.27097	2.1
325.28793	4.5
327.26782	2.5
327.30225	9.2
341.28394	1.7
353.28543	2.5
367.29956	3.8
381.31268	2.7
393.35461	2.2
419.36633	10.7
435.35559	1.8
445.36807	7.9
446.18607	1.4
459.39713	14.6
477.40768	100.0
478.40866	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.9
55.01867	2.1
57.03410	5.9
58.93217	1.2
61.02906	3.2
67.05476	3.0
69.03413	9.0
69.07963	1.2
69.36593	13.0
70.06580	8.6
71.04966	5.6
71.18074	1.3
72.08144	2.5
73.02900	7.7
79.05451	3.1
81.03403	15.2
83.04974	1.6
84.04482	2.8
84.08118	5.5
85.02890	87.4
86.06046	2.0
86.09685	7.6
88.02200	4.5
88.86471	1.4
89.06017	1.2
91.05465	1.8
95.04953	3.1
97.02876	30.2
99.04436	44.7
100.07619	3.0
102.05476	1.7
103.03922	100.0
103.05418	2.8
105.03368	1.6
107.04942	10.9
109.02860	32.5
109.06400	1.3
110.07161	1.9
111.04414	5.9
116.07064	1.6
117.06937	2.1
119.08537	1.5
121.02861	1.8
121.06538	1.5
121.10104	1.5
122.02702	1.7
123.04407	4.0
125.05950	3.0
127.03894	87.7
130.22879	1.4
131.04898	3.4
133.06439	1.6
134.02661	3.0
134.06831	1.7
135.04375	4.3
136.07564	1.9
137.05920	3.6
139.03883	11.6
143.11728	2.7
145.04935	78.1
145.06184	3.1
146.06813	2.1
147.04390	4.7
149.05942	3.1
153.05435	2.0
161.05934	1.4
163.03926	10.3
163.06000	21.0
163.07365	3.3
166.05846	1.4
167.07013	1.8
169.04930	11.6
171.06511	12.0
172.13248	4.2
173.05917	4.2
174.03078	1.5
174.06337	2.1
177.05434	10.4
181.04921	5.3
183.06471	4.9
187.05981	6.2
189.05498	2.3
189.16013	1.6
192.04073	1.9
195.06490	9.8
201.05353	3.3
205.04921	4.5
205.07011	3.8
205.08711	1.9
207.06444	6.6
209.08049	3.1
213.07478	9.4
216.07385	1.7
218.05629	1.9
219.06567	1.8
220.06972	1.4
229.04921	2.0
229.07021	2.3
233.08089	6.5
235.05907	2.1
237.07542	26.3
247.08105	15.9
261.07541	28.8
271.08078	4.4
279.08575	36.7
280.08954	2.3
289.09488	1.9
297.09753	7.4
307.09763	1.6
351.21057	2.0
424.15472	1.6
435.64487	1.4
477.31201	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	476.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08789	0.3
53.03933	0.8
55.05233	0.3
55.05502	5.9
55.66457	0.3
57.03431	5.7
57.07050	0.5
62.06060	0.6
65.03922	0.9
67.05492	22.6
69.07053	6.3
71.04967	0.4
79.05481	12.8
81.07040	18.9
83.04963	0.7
83.08605	1.9
85.06502	0.5
91.05462	5.5
93.07023	13.0
95.04968	0.7
95.08588	15.1
97.06504	0.9
97.10140	0.8
98.06030	1.1
98.21562	0.4
98.98438	0.4
105.06998	2.6
107.08570	5.2
109.06496	0.5
109.10143	5.5
111.08069	0.9
117.06980	1.0
119.08543	2.5
121.10126	4.9
121.16733	0.3
123.08057	0.5
123.11689	1.1
124.01553	0.5
131.08534	1.2
133.10085	1.9
135.11662	2.5
145.10094	1.1
147.11662	1.1
149.13234	1.1
152.83830	0.3
159.11674	0.4
161.13255	0.8
163.14810	0.6
173.13228	0.8
187.14670	0.4
190.00975	0.3
198.05162	0.5
204.78732	0.3
216.06224	0.7
261.21970	0.7
304.26282	7.7
335.25729	100.0
336.26163	2.5
428.17636	0.4
455.53955	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.4
55.05510	7.9
57.03438	2.4
59.40039	1.2
62.06078	32.5
63.65474	1.2
67.05496	29.5
69.07049	10.9
71.02616	2.8
71.04969	1.3
79.05477	13.9
81.07038	21.6
83.08620	2.8
85.05269	1.7
88.37099	1.1
91.05451	6.4
93.07031	17.9
95.08588	18.4
97.10143	1.6
98.06025	11.5
98.98443	10.4
103.81796	1.2
105.07027	5.3
107.08575	9.4
109.10130	7.5
119.08560	4.5
121.10122	5.8
123.08010	1.6
123.11675	2.3
124.01566	1.3
131.08600	1.6
133.10115	4.4
135.11665	5.0
141.76236	1.4
147.11604	2.9
155.01003	2.1
155.68556	1.3
161.13258	1.9
167.34764	1.3
173.02116	1.9
182.15375	1.4
198.05330	2.7
205.40160	1.3
216.06331	2.8
243.21063	2.2
261.22061	8.0
304.26291	100.0
305.26633	1.5
307.95633	1.4
335.25745	83.4
336.26099	3.0
458.26608	5.6
476.27774	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	476.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.6
59.04994	7.2
60.04523	1.2
61.02927	1.0
68.87762	0.5
69.03405	1.3
69.67401	0.5
69.86920	0.5
70.06584	2.7
70.74998	1.5
72.08121	1.1
73.06554	0.8
74.06062	0.5
81.03360	0.8
81.07070	0.5
82.06560	0.7
83.97319	0.5
84.08135	3.0
84.40453	0.5
85.02899	5.0
86.09686	3.7
87.03985	0.5
87.04459	2.3
88.03961	0.8
89.06014	93.2
90.06349	0.6
95.08571	0.5
97.02876	1.8
100.07575	0.7
103.07566	2.0
106.05011	1.0
107.07050	2.3
109.02818	0.7
120.40847	0.5
127.03912	1.4
129.10220	1.5
130.08655	0.7
131.04942	1.5
133.08580	43.8
137.05984	0.5
145.04872	0.8
146.78796	0.6
147.04401	1.1
147.10173	0.9
151.09612	3.3
152.07132	0.6
161.05956	1.0
167.07011	1.1
177.05437	0.6
177.11180	6.9
191.12659	0.9
193.08543	0.7
195.12231	3.1
217.03972	0.6
221.13867	1.8
239.14839	56.4
240.15114	0.7
242.17467	0.6
297.19022	100.0
298.19357	2.1
361.14725	0.6
476.26755	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	476.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
55.05498	5.6
57.07051	3.5
65.03922	0.8
67.05477	3.7
69.03404	2.5
69.06773	0.8
69.07058	8.4
69.52295	5.2
70.06573	1.9
71.04969	3.0
73.02915	1.3
79.05476	11.2
81.03387	3.5
81.07048	12.6
83.04948	1.2
83.08595	2.3
85.02868	3.8
87.00790	1.8
91.05455	9.4
93.07027	18.9
95.04964	2.1
95.08588	24.4
97.02867	2.7
99.04418	1.7
99.08067	6.2
105.01822	2.3
105.07012	57.1
106.07352	0.9
107.07854	1.7
107.08572	28.3
109.02878	2.3
109.10114	3.3
113.09638	4.5
117.06999	2.1
119.08560	60.7
121.10117	6.8
123.08031	1.8
123.11694	4.8
127.03883	4.4
131.08553	1.8
133.10109	70.1
135.11667	38.7
137.09605	5.8
145.04932	1.8
145.10092	2.0
147.11652	5.0
149.05965	1.7
149.13228	3.1
157.10022	0.9
160.12370	1.4
173.13235	1.5
175.14793	100.0
176.15068	2.1
191.14195	0.9
193.15852	18.9
193.17616	1.1
231.04976	1.0
249.06052	0.8
319.09988	1.3
476.17004	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83216	1.6
51.14816	1.7
53.03930	6.1
55.01853	8.3
55.05493	8.4
57.03419	3.7
60.04499	2.1
61.02906	3.6
61.77881	1.9
65.03926	2.4
67.05476	10.1
68.00369	2.0
69.03419	20.2
69.07059	11.2
70.06572	7.5
70.10652	4.8
70.11066	4.5
71.04965	6.9
71.08611	6.3
72.08134	3.6
73.02888	7.7
79.05468	7.6
81.03396	19.6
81.07050	25.3
82.06561	3.4
83.04940	3.9
83.08595	4.4
84.04483	3.1
84.08131	8.1
85.02886	52.5
85.06527	2.6
86.06052	19.1
86.09673	6.3
87.00812	13.9
87.04453	2.4
88.02145	1.8
88.04003	1.8
91.03970	2.3
91.05480	13.7
93.07033	15.9
94.06540	4.5
94.07354	2.5
95.04944	14.2
95.08584	23.1
97.02873	19.2
97.06497	6.3
97.10199	2.9
98.09705	2.2
99.04426	9.0
99.08074	11.9
101.02320	4.0
103.05470	2.3
105.01825	12.9
105.07009	23.6
107.04932	5.9
107.08585	22.0
108.08088	2.5
108.08912	2.6
109.02856	17.8
109.06503	20.0
109.10146	13.4
110.06849	5.8
110.10445	2.2
111.08071	8.0
115.03921	3.1
116.10691	11.3
117.01817	2.7
117.06987	4.4
119.04912	2.1
119.08562	41.6
120.08047	3.9
121.02808	2.2
121.06487	4.1
121.10140	14.6
122.05975	2.9
123.08034	8.3
123.11682	6.6
124.07579	4.4
125.09642	2.3
127.03896	31.7
129.01837	1.9
130.08618	2.6
131.08531	11.1
133.06485	3.1
133.10106	61.7
134.10469	6.8
135.08025	7.9
135.11661	16.4
136.08394	2.9
137.05952	8.0
137.09621	10.4
138.09064	2.1
142.08618	3.7
145.04918	13.5
145.06477	2.2
145.10077	6.7
146.08083	3.7
147.11642	10.2
149.05971	3.1
149.09558	2.3
149.13234	4.7
151.11162	2.2
153.09073	2.6
154.04892	4.0
154.08606	5.6
157.10147	3.2
159.02869	5.4
159.11665	4.1
161.05902	3.7
161.09590	2.5
163.11188	3.7
165.09067	7.9
167.07036	4.2
169.10049	2.3
170.11736	5.5
172.12054	2.1
173.13168	5.5
175.14795	94.8
176.15158	2.6
177.16374	7.2
181.04950	3.3
191.14282	13.6
192.14680	10.0
193.05026	2.9
193.15997	13.8
198.11212	100.0
199.11446	3.3
203.14294	1.8
209.15306	8.4
210.15660	12.2
211.15115	2.7
211.16934	42.4
216.12270	60.6
231.04904	8.2
279.19592	2.3
288.20569	1.9
314.19482	7.4
339.17795	1.9
343.81622	2.4
355.12576	4.1
360.16449	17.9
378.17590	12.6
402.14178	1.9
417.16171	2.4
422.28925	4.1
434.17212	2.2
440.29663	2.4
454.27383	2.6
458.25082	3.7
459.27396	3.0
476.18655	25.7
476.25421	5.2
476.30997	47.6
477.18243	5.9
485.51074	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.3
54.35969	0.2
55.05497	1.2
57.07047	0.4
65.03956	0.2
67.05490	1.2
69.03431	0.5
69.07061	1.9
70.04070	3.7
70.62575	0.2
70.77702	0.5
70.90292	0.2
71.04990	1.4
75.18771	0.3
76.02190	0.3
79.05473	1.2
81.03400	0.2
81.07039	4.3
82.06573	0.2
82.27777	0.2
83.08603	0.5
85.02904	0.9
85.06554	0.3
87.00811	0.3
91.05457	2.4
93.07025	4.3
95.04944	0.6
95.08596	6.7
97.02831	0.4
97.06522	0.6
99.08078	1.3
105.07014	5.4
107.08576	8.9
109.06524	0.6
109.10132	3.2
113.09614	1.3
115.05434	0.3
115.07587	0.3
116.19889	0.3
117.06988	0.4
118.07737	0.3
119.08565	18.2
121.10134	1.0
123.08017	0.4
123.11694	3.0
127.03934	0.5
131.08549	0.9
133.10110	100.0
134.10419	1.8
135.11670	22.0
136.12080	0.4
137.09615	0.8
145.04930	0.4
145.10081	0.7
147.11635	2.3
154.08531	0.5
160.12381	0.5
166.48483	0.2
173.13263	0.3
175.14796	76.1
176.15080	1.3
191.14255	0.4
193.15852	54.9
194.16196	1.1
209.15331	0.3
210.15645	0.5
211.16896	1.2
231.04964	0.3
396.46494	0.2
476.17575	0.4
477.17059	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.4
55.01855	0.5
55.05489	1.9
57.03421	0.6
65.79199	0.4
67.05490	2.5
69.03429	0.9
69.07034	2.2
70.06582	0.8
71.04964	1.5
71.08824	0.9
72.08128	0.4
73.02881	0.6
76.02195	0.4
79.05480	4.4
80.05003	0.4
81.03388	0.7
81.06575	0.9
81.07040	14.7
82.07357	0.5
83.04952	0.8
83.08579	0.6
84.04462	0.7
85.02890	2.1
85.06496	0.8
86.03152	0.4
86.09691	0.7
87.00800	0.5
89.06012	0.5
91.05471	4.7
93.07022	11.5
95.04913	1.1
95.08589	9.7
96.08901	0.5
97.02872	1.0
97.06502	1.3
97.10129	0.4
99.04464	0.5
99.08081	1.7
100.43028	0.3
105.07014	14.0
106.07288	0.4
107.04974	0.4
107.08575	14.6
108.04469	0.6
109.02842	0.4
109.06484	1.0
109.10124	1.9
111.04396	0.5
111.08073	0.6
117.07003	1.6
119.08559	33.8
120.08871	1.0
121.06477	1.0
121.10117	3.1
123.11703	2.9
124.07584	0.5
125.09646	0.4
127.03918	1.0
131.08554	1.1
133.10103	33.2
134.10403	0.7
135.08054	1.2
135.11665	24.9
137.09607	1.2
145.10083	1.8
147.11653	4.4
149.09615	0.7
149.13220	1.7
152.43092	0.5
154.04971	1.9
161.09554	0.7
162.07608	0.7
163.11194	2.0
165.09113	0.9
167.07071	0.5
173.13211	0.7
175.14790	100.0
176.15128	1.8
177.16263	0.5
191.10670	1.9
193.15848	37.9
194.16183	0.6
211.16843	0.7
218.08179	0.5
227.12596	0.5
265.14328	1.5
283.15363	6.0
336.44656	0.5
355.12814	0.9
476.18109	0.9
476.35229	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99963	0.3
53.03934	0.8
54.29647	0.3
55.01860	0.9
55.05496	3.4
57.03423	1.3
57.07051	1.4
59.04985	1.0
61.02905	0.4
62.67706	0.3
63.23167	0.3
65.03918	0.7
65.93341	0.3
67.05490	6.2
68.29966	0.3
69.03417	2.8
69.07050	4.3
70.06577	0.4
70.65027	1.3
71.04971	3.1
72.05317	0.4
73.02892	0.9
79.05476	4.8
81.03398	2.4
81.07040	6.7
82.07372	0.3
83.04967	1.4
83.08581	2.3
84.04485	1.4
84.08120	1.1
85.02886	6.2
85.03377	0.6
85.03983	0.3
85.06013	0.5
85.06523	8.9
86.03189	0.6
86.09702	0.6
87.00805	1.5
91.03908	0.4
91.05470	3.3
93.05768	0.4
93.07025	11.6
94.07346	0.6
95.04943	1.9
95.08585	9.4
97.02872	2.3
97.06509	1.0
97.10162	0.8
99.04432	8.7
99.08070	78.2
99.86954	0.3
100.04770	1.7
100.08410	0.7
102.05526	0.4
105.01850	1.8
105.07006	6.0
106.07346	0.5
107.08569	11.6
108.08926	0.6
109.02842	1.7
109.06474	2.2
109.10134	16.6
110.10477	0.9
111.04422	0.7
111.08054	1.1
117.06953	0.7
119.07694	0.3
119.08559	6.7
121.06499	1.4
121.10123	8.3
122.10464	0.6
123.08057	1.9
123.11666	2.6
124.08356	0.5
124.12022	0.4
125.09634	1.3
127.03873	3.4
127.80399	0.4
128.04256	0.4
130.04961	0.4
130.08606	0.8
131.08566	0.7
133.10095	16.7
134.10437	0.8
135.08003	1.2
135.11662	11.1
137.05949	0.7
137.09587	5.0
139.11160	0.4
140.51897	0.4
145.04922	1.5
145.10101	1.8
147.07970	0.6
147.11623	1.2
149.09602	0.7
149.13208	1.2
151.11159	2.1
155.48297	0.4
158.09486	0.3
159.02847	1.2
159.11685	0.4
161.09593	0.3
162.07570	0.7
163.11148	2.8
165.09103	0.7
165.16396	0.9
167.07011	0.6
169.09962	0.3
169.12218	1.0
170.12532	0.8
173.13144	0.6
175.14790	9.5
177.16350	19.8
183.13736	1.1
184.14066	1.1
191.10666	2.4
193.15837	100.0
194.16191	1.6
209.15248	0.6
210.15623	0.8
211.16809	0.5
227.12859	0.9
227.16338	4.1
228.16705	5.1
231.04861	0.8
249.06010	0.9
257.09134	0.6
258.09564	0.6
265.14169	0.6
276.46600	0.3
283.15305	5.6
367.22803	0.6
374.81714	0.4
385.23587	0.9
440.24356	0.6
458.16379	0.7
458.25479	0.5
459.27124	1.0
476.17361	3.7
477.28516	0.4
488.38571	0.3
493.93008	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45029	1.7
55.01854	10.0
57.03415	2.7
61.02900	6.0
62.08229	1.6
69.03408	7.3
69.94794	3.1
69.95203	8.5
70.06569	9.3
71.01347	1.8
72.08129	4.8
73.02897	4.1
81.03395	6.0
84.04466	1.8
84.08112	2.2
85.02885	30.9
86.09676	4.2
89.05990	3.9
91.03934	2.5
93.07024	1.9
95.01309	30.4
95.04960	3.7
97.02859	12.8
97.12222	1.9
103.03912	2.6
103.05414	2.6
105.06993	11.2
107.04899	2.8
109.02826	3.1
113.02311	3.2
115.03926	2.8
116.07098	11.7
117.01842	4.0
117.06995	4.8
119.04890	11.0
121.02838	4.4
121.06496	4.2
123.04406	44.3
127.03895	4.9
130.08620	3.0
131.04886	18.2
133.06470	46.5
133.08598	3.4
136.07449	1.9
140.01607	15.4
141.07007	3.7
142.45169	1.7
144.05646	2.0
145.04904	2.9
145.05157	3.6
145.06450	64.3
147.04372	54.3
147.08067	2.9
149.05945	7.3
150.05478	8.3
151.05742	2.9
152.05989	2.1
157.06474	10.6
159.04413	8.7
159.08005	5.4
161.05948	51.3
161.07248	3.7
163.03874	5.9
165.05446	21.3
166.03299	2.5
168.06508	3.7
169.06488	7.2
171.04349	13.7
171.05612	2.3
171.07983	5.1
172.12923	2.1
173.05954	88.6
175.03891	8.4
175.07516	5.8
177.05440	7.0
184.05113	2.7
185.05939	22.3
187.07481	16.4
187.14357	5.1
189.05421	22.7
191.07008	14.0
193.04918	2.1
193.08577	14.7
194.26570	2.0
197.05939	34.9
199.03645	2.4
199.07594	11.7
201.05408	28.2
203.06984	2.2
207.06505	5.7
209.02669	2.4
215.06979	63.1
217.04865	5.2
217.08656	5.4
219.06470	75.0
219.08563	4.0
225.05521	2.6
229.06389	3.5
231.06493	10.2
233.08023	36.7
235.09573	2.8
237.07489	6.2
239.14931	2.4
239.76401	2.1
243.06490	60.9
261.07529	97.8
279.08572	100.0
297.09589	3.5
297.18753	5.6
298.27475	1.7
314.06787	2.0
314.11673	5.2
476.16391	2.8
501.08057	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	476.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18190	0.3
53.03942	0.2
71.02525	0.5
74.06062	0.2
79.05439	0.3
80.05043	0.4
80.05503	0.2
81.76008	0.2
84.08115	0.2
85.02888	0.5
96.08096	0.5
103.03992	0.3
106.06509	0.6
107.04905	0.3
119.51780	0.3
120.08077	0.5
123.06890	0.3
124.07565	3.1
127.03933	0.3
130.52205	0.2
134.05992	34.4
135.06355	0.5
136.80797	0.2
147.04335	0.4
152.07034	91.9
153.07431	1.6
158.89371	0.3
166.08669	0.4
170.08090	100.0
171.08487	1.3
214.96327	0.2
216.11366	0.3
219.06453	0.4
237.34648	0.2
261.07590	0.3
279.08661	0.2
458.16403	0.9
476.17529	9.3
477.17908	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.6
55.01850	1.9
55.69115	1.0
57.03420	1.6
59.04980	1.7
61.02919	1.5
63.74752	1.1
65.55373	1.1
67.05502	5.8
67.05796	1.0
69.03420	7.5
69.07031	3.2
70.19376	2.5
70.19763	2.4
71.04979	9.7
73.02890	2.4
81.03413	8.5
81.07044	8.2
83.08596	3.0
85.02892	18.9
85.06530	7.9
87.00822	7.0
91.05453	3.4
93.07040	9.4
95.04951	64.6
95.08567	7.2
97.02884	5.6
97.06518	5.7
99.04438	24.7
99.08078	8.6
105.01859	5.6
105.07008	7.7
107.08581	13.9
109.02856	7.1
109.06464	4.1
109.10139	26.2
110.12659	1.3
111.08057	2.7
115.07549	3.7
117.01804	1.4
119.08566	4.6
121.10128	6.5
123.08054	1.3
123.11681	15.1
125.05983	1.8
125.09635	1.4
127.03902	12.6
127.07510	3.5
127.11196	1.2
131.08536	9.9
133.10107	68.3
134.10428	1.1
135.07993	4.9
135.11632	2.0
139.11143	4.0
145.04924	4.7
145.10068	4.7
147.11673	3.0
149.09558	2.0
149.13271	6.9
151.11145	14.1
153.09081	26.5
158.10938	2.4
159.02853	3.3
160.97623	1.0
163.14850	3.0
169.12213	12.2
173.13245	25.5
191.14275	48.3
207.06516	1.1
209.15334	100.0
227.16360	17.2
231.04922	2.0
294.12680	1.3
409.64951	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97851	0.9
53.03934	2.6
54.17880	0.9
54.73445	0.9
55.01874	1.2
55.05506	5.9
57.03426	13.1
57.07063	39.1
61.02914	46.3
67.05495	12.1
69.03419	19.4
69.07049	7.6
69.26186	3.7
69.26616	6.5
71.01323	2.3
71.04973	2.3
71.08233	1.9
71.08614	30.4
73.02900	23.6
75.04476	2.0
79.05492	1.8
81.03399	13.1
81.07047	19.6
83.04965	2.1
83.08605	12.1
85.02368	2.0
85.02890	41.8
85.06539	1.6
85.10165	16.2
87.04441	1.6
89.06041	2.0
91.03934	26.5
91.05464	1.4
93.07033	2.9
95.08591	23.2
97.02875	40.8
97.10150	7.0
99.04439	8.3
99.11725	2.1
101.02345	10.1
103.03929	6.9
107.08556	1.6
109.02850	7.3
109.06517	1.2
109.10144	12.8
111.04405	1.2
111.11700	1.5
115.03919	3.0
117.05471	2.6
121.10136	1.8
123.11693	5.8
125.13221	1.4
127.03902	17.5
129.05458	2.8
135.11575	1.0
137.13220	3.5
141.05452	1.0
145.04930	9.2
147.04356	2.1
151.14816	2.0
159.06473	1.6
183.06480	5.6
201.07457	4.7
221.22542	1.3
239.23656	30.5
257.24710	3.2
313.27307	100.0
314.27509	1.6
341.26678	3.3
355.28400	2.5
383.27884	2.2
457.31345	7.5
475.22443	1.9
475.32596	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	475.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.3
55.01847	1.8
55.05503	5.0
57.03410	2.3
57.07052	1.9
59.04969	1.4
61.02905	1.0
62.06059	0.8
64.14864	0.7
67.05491	6.5
69.03416	5.4
69.07051	16.8
70.04063	30.8
70.06554	1.7
70.84341	0.6
71.03767	1.1
71.04392	2.7
71.04958	2.9
71.54462	1.1
73.02869	1.0
76.02200	0.7
79.05479	3.5
81.03401	4.6
81.06574	1.0
81.07037	17.7
83.04951	2.4
83.08613	4.1
84.04504	0.8
84.08102	1.0
85.02888	12.6
85.06525	3.6
86.09720	0.9
87.00797	3.8
87.04448	0.9
91.05455	3.6
93.07034	7.4
95.04942	9.4
95.08590	25.2
97.02872	4.5
97.06496	3.1
97.10137	2.7
97.10727	0.8
99.04440	5.5
99.08059	1.9
105.01836	2.3
105.07004	5.5
107.04926	1.1
107.08587	8.0
109.02845	4.0
109.06485	2.6
109.10134	7.7
111.04416	2.3
111.08036	3.0
111.11700	3.4
113.05993	5.7
115.05479	0.8
115.07517	2.6
116.07898	0.9
117.06953	1.1
119.08561	5.7
121.06474	1.4
121.10123	10.3
123.08040	3.0
123.11680	7.2
125.05961	2.2
125.09615	2.9
127.03883	6.4
127.07584	1.0
129.06955	0.9
129.12697	1.1
131.08525	2.6
133.10098	13.5
135.08023	2.3
135.11693	6.6
137.05917	1.1
137.09583	1.9
137.13226	35.7
139.07500	12.9
139.11118	2.3
143.08566	0.8
145.04964	3.2
145.10088	2.2
147.11615	2.1
149.09596	1.9
149.13200	2.6
151.07468	0.8
151.11154	4.0
153.09070	7.8
159.02882	1.4
163.07497	0.9
163.14775	4.9
165.09071	4.7
167.10641	1.1
167.14275	1.6
169.12193	1.7
173.13210	5.8
175.14824	4.7
176.07048	0.8
177.16371	1.4
191.10614	1.4
191.14272	12.0
191.17822	0.9
192.14615	2.0
193.15865	3.4
203.10468	0.7
209.15317	25.7
209.18692	1.0
210.15633	1.2
211.16936	1.3
227.16371	100.0
228.16628	1.0
231.04880	1.1
246.59987	0.8
329.06488	1.2
372.13385	1.0
380.27921	0.7
387.15570	1.1
388.16394	0.9
416.15802	2.5
470.33347	0.7
471.35489	0.8
475.17175	5.3
475.25989	1.1
475.32504	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	475.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.8
53.09566	1.1
53.56712	0.9
55.01855	4.0
55.05495	5.3
57.03411	3.2
57.07061	2.1
57.84189	1.1
59.04990	1.4
67.05494	9.0
69.03414	17.4
69.07046	5.1
70.06580	1.6
71.04980	22.7
73.02907	2.3
79.05478	9.0
81.03404	11.9
81.07039	11.1
83.04964	6.0
83.08608	5.4
84.04475	3.0
84.08138	1.7
85.02889	31.3
85.03415	1.5
85.06523	11.3
87.00815	8.7
91.05463	13.2
93.06464	1.6
93.07025	20.4
95.04948	6.9
95.08590	11.8
95.17352	1.1
97.02884	8.2
97.06529	2.6
99.04436	87.1
99.08072	9.6
100.76149	1.0
105.01833	7.1
105.07020	13.0
107.04926	2.9
107.08582	21.1
109.02872	9.7
109.06487	6.7
109.10136	13.8
111.04417	6.1
111.08058	1.7
113.06013	1.2
113.09621	4.1
115.05443	1.9
116.06052	1.0
117.06999	3.9
119.08552	16.3
121.06527	1.6
121.10124	18.2
123.08053	14.0
123.11672	9.8
125.05957	1.2
125.09625	4.9
127.03889	15.7
127.11187	1.8
128.06210	1.7
129.01869	1.7
129.05478	1.2
129.06998	2.6
131.08556	5.7
133.10106	17.5
135.08012	3.2
135.11678	3.6
137.05937	3.0
137.09532	5.2
139.11156	3.3
141.09053	1.4
141.12622	1.1
143.08501	2.1
145.04939	4.2
145.06465	1.3
145.10097	4.5
147.08005	7.4
147.11653	5.4
149.09560	6.5
149.13205	6.4
151.07487	1.5
151.11154	4.9
153.09067	1.7
158.10941	1.2
159.02866	2.7
159.08002	1.8
159.11685	2.2
161.09572	2.6
163.07518	2.1
163.11189	2.6
165.09079	11.2
165.12724	2.2
167.06995	1.7
167.10616	4.3
169.10063	1.6
169.12204	18.0
173.13190	5.6
175.07599	1.5
175.14723	1.8
177.16353	1.3
183.12006	1.3
183.13753	24.0
189.08984	1.5
191.10591	1.5
191.14267	7.9
192.14569	2.3
193.08342	1.1
193.15848	14.3
203.14276	1.1
209.07999	1.1
209.15332	16.2
211.16870	1.3
227.16374	100.0
228.16670	1.6
231.05077	1.6
251.16505	1.8
267.17590	1.8
283.15427	2.1
285.18475	1.1
293.13599	1.5
311.15085	1.3
383.21848	1.5
401.22797	1.3
457.32718	1.7
475.16800	2.6
475.27365	1.5
475.34750	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	475.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10140	1.3
53.03928	2.0
55.01850	3.3
55.05488	4.2
57.07047	1.5
63.90130	1.2
67.05483	4.8
69.03416	9.2
69.07038	4.3
70.03104	5.8
70.06581	8.0
71.04976	18.5
72.08128	1.9
73.02893	3.5
79.05469	6.0
81.03382	4.8
81.07033	8.4
82.89510	1.2
83.04953	4.7
83.08611	1.9
83.69854	1.1
84.04491	1.5
84.08122	5.1
85.02885	11.6
85.06511	3.9
86.09674	3.6
87.00793	1.8
91.05450	10.3
93.07019	12.0
95.01306	2.9
95.04943	17.1
95.08581	9.6
97.02878	3.3
97.06516	3.1
99.04436	56.5
99.08073	3.5
105.01846	2.7
105.07010	76.8
106.07314	2.2
107.04935	2.3
107.08569	12.9
109.02857	3.6
109.06496	6.2
109.10131	10.6
110.15120	1.1
111.08072	2.3
115.05456	1.6
117.06991	2.1
119.04909	1.9
119.08568	8.3
120.08038	3.2
121.02861	1.2
121.06475	10.9
121.10105	5.7
122.06003	5.7
123.08031	10.3
123.11711	7.2
125.09579	1.9
127.03899	6.6
127.25211	1.2
128.06207	2.0
130.05019	1.5
130.08604	1.8
131.08543	5.1
133.06467	12.3
133.10100	63.7
134.10388	1.6
135.08017	5.0
135.11700	3.1
137.05943	1.8
137.09570	3.2
139.11163	1.7
141.01782	2.7
143.08514	6.0
145.04915	2.1
145.10091	7.0
146.05933	4.2
146.07231	4.9
147.04364	1.4
147.11641	2.9
148.07556	3.5
149.09608	3.2
149.13246	2.5
151.07513	4.3
151.11166	5.7
153.09013	6.1
155.08624	1.2
159.08008	2.6
161.09583	93.8
162.09953	2.5
163.06221	1.5
163.11156	17.9
163.14740	1.6
165.09087	2.9
165.12762	1.1
167.07069	1.5
169.12251	3.6
173.13185	6.7
174.05461	3.1
174.09109	1.4
175.14774	1.1
176.07050	16.9
177.05476	1.2
177.07448	2.1
179.10635	43.1
187.14825	1.4
188.06990	2.4
189.09079	12.6
191.10541	1.3
191.14268	13.5
199.08759	1.8
207.10139	17.2
209.15282	23.6
211.08566	3.4
213.10141	2.4
223.08891	1.2
225.10114	3.3
226.10802	1.2
227.16388	11.4
229.15636	1.4
237.10150	1.8
238.10971	1.6
239.11681	2.4
243.11481	1.3
247.00679	1.3
251.11630	2.3
253.09445	1.6
255.11113	1.5
256.12006	1.3
265.09708	5.9
265.18066	2.0
266.10236	2.9
269.09192	1.6
270.09747	1.7
271.10617	2.1
278.10342	2.2
279.11142	2.8
280.12112	1.3
281.13754	3.8
283.10745	3.7
285.12234	1.9
288.11429	1.5
299.14481	1.2
300.11127	1.5
301.12320	1.5
302.12747	3.7
303.13513	3.4
303.16785	1.4
304.14313	3.5
305.55096	1.4
313.11874	2.0
316.10745	3.0
316.14435	3.8
317.15231	2.9
318.12579	1.4
318.16055	2.8
319.16772	2.5
327.11243	2.7
328.11212	1.4
330.12253	5.0
330.15897	2.9
331.13086	3.9
332.17606	1.8
343.13400	1.9
344.13852	7.6
345.14505	2.9
346.15408	6.0
347.16135	4.1
356.10056	1.7
356.14041	1.9
357.14682	2.6
358.11621	2.9
358.15543	3.9
359.12064	2.1
359.15988	3.9
360.17075	7.5
369.14569	1.4
370.11630	2.5
371.12360	7.0
372.13254	14.9
373.13757	10.7
374.15002	5.9
376.16534	2.4
383.13235	3.8
384.13266	1.4
385.13971	3.4
386.14865	15.1
387.15488	23.8
388.16351	20.4
398.15027	1.9
400.12558	1.8
401.17386	1.6
402.14050	5.5
404.15845	3.4
405.16629	1.5
406.17587	3.2
411.15616	1.6
414.14453	2.4
415.14902	15.0
416.15836	83.8
417.16275	3.3
418.17896	2.2
419.18152	2.7
428.16025	1.4
429.16605	4.7
430.17496	6.0
431.17847	2.9
432.15683	4.6
433.15930	3.3
434.17010	3.6
446.17111	12.0
447.17676	17.5
457.16055	6.5
460.14984	2.9
475.17078	100.0
476.17337	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	475.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.9
55.01848	5.6
55.05501	8.4
57.03408	5.1
57.07063	2.1
59.04988	3.2
60.19863	1.6
61.02911	3.6
67.05492	10.9
68.10364	1.5
69.03413	19.5
69.07058	6.8
70.06582	3.0
71.04976	21.8
71.53473	2.0
72.08127	1.5
73.02884	6.3
73.03258	1.3
79.05470	9.2
80.05046	1.7
81.03395	13.4
81.07041	18.4
82.02951	1.5
83.04961	10.7
83.08605	6.0
84.04484	5.2
84.08131	2.8
85.02888	32.8
85.06523	10.1
86.03207	1.4
86.06018	1.6
86.09666	1.7
87.00804	8.2
88.04050	1.5
91.05469	16.9
93.07036	24.7
94.02291	1.3
94.02901	1.6
94.06539	1.6
95.01359	2.3
95.04931	9.3
95.08601	17.8
96.04406	1.8
97.02876	8.3
97.06502	5.6
97.10150	2.8
99.04436	68.1
99.08069	22.5
103.05468	2.2
105.01854	5.0
105.03426	1.5
105.07008	13.2
106.06563	2.4
107.04908	2.9
107.08560	23.0
109.02898	8.1
109.06508	8.2
109.10140	17.0
111.00748	1.6
111.04399	6.1
111.08058	2.1
113.02283	1.8
113.09639	2.5
113.87743	1.4
117.05530	2.8
117.06979	3.9
118.06534	3.5
119.08559	21.9
120.04375	1.8
121.02859	1.5
121.06506	3.1
121.10123	16.8
123.08033	13.4
123.11680	10.6
124.03910	1.5
125.02369	1.4
125.09623	5.9
127.03883	12.1
129.05435	2.7
129.07016	2.4
130.04984	1.7
130.06497	14.5
130.08566	2.5
131.08545	6.2
132.08066	2.3
133.10120	19.5
134.05992	2.6
135.08023	4.9
135.11684	7.6
136.03912	2.7
137.05968	4.4
137.09558	7.7
138.05516	1.6
139.03880	3.3
139.11150	4.2
140.03342	1.7
143.07330	3.2
143.08472	3.0
144.08087	3.3
145.04982	4.5
145.10103	6.4
146.05997	6.2
147.08054	6.4
147.11678	6.4
149.05952	2.5
149.09590	5.5
149.13239	5.7
151.07500	3.6
151.11143	5.3
154.06445	2.7
157.07614	3.4
157.10107	2.8
158.05981	9.0
158.09602	14.1
159.02884	2.8
159.11639	2.6
160.11195	3.4
162.07542	2.3
163.11223	7.5
165.09079	21.5
165.12788	1.9
167.07077	6.0
167.10643	3.1
168.06755	1.9
168.08060	4.6
169.07588	4.7
169.12218	10.5
171.11700	2.4
172.11185	3.2
173.13249	5.1
175.14822	5.0
176.10695	1.6
177.09070	2.2
177.16350	7.0
183.11568	1.7
183.13777	15.2
184.07602	1.8
184.11185	12.1
185.07095	6.5
185.13263	1.7
186.09105	19.6
187.07562	1.8
188.07031	1.8
189.09187	1.8
191.10699	3.4
191.14272	3.9
193.15816	27.2
195.09138	4.2
196.11221	6.0
200.10609	3.5
204.10149	19.8
205.12209	2.9
209.15273	12.4
211.12448	1.9
211.16927	1.9
212.10634	8.3
213.13870	3.8
214.07304	2.0
223.08688	2.1
227.16377	78.3
228.08678	4.1
231.05031	2.8
231.08017	1.8
237.14035	2.9
251.08060	2.2
257.09164	27.8
258.06036	1.7
272.07657	2.4
275.13788	2.6
283.15436	7.1
329.06641	6.2
353.15393	1.6
370.11932	2.0
383.22021	2.8
403.11292	5.0
413.17096	11.6
416.15765	2.9
457.16141	13.8
457.68271	1.6
475.17072	100.0
475.27261	6.1
476.17169	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	475.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.6
55.01853	4.2
55.05492	4.2
57.03431	5.9
59.04989	20.1
60.05321	2.9
61.02908	3.4
63.14213	1.2
67.01833	1.7
67.05476	7.9
68.99758	2.1
69.03413	17.2
69.07064	6.0
70.06564	7.1
71.04971	8.3
71.55286	2.0
72.08141	2.9
73.02895	3.6
79.05461	4.2
81.03403	16.7
81.07037	13.6
83.04945	5.6
83.08623	3.9
84.04501	2.4
84.08119	5.7
85.02886	51.4
85.06519	5.2
86.09689	6.3
87.00816	7.9
87.04433	4.9
88.02184	1.9
88.03951	1.4
89.05981	1.9
91.05448	9.9
93.07029	11.2
95.04942	21.8
95.08575	8.7
97.02869	20.8
97.06533	6.3
99.04430	30.5
99.08056	4.8
101.05980	1.8
102.05515	1.4
103.03919	32.7
103.05385	1.8
105.01835	8.7
105.03378	2.4
105.07006	12.1
107.04935	2.7
107.08562	10.9
109.02851	20.9
109.06486	12.1
109.10116	12.8
110.07099	1.5
111.08067	2.1
113.22747	1.2
115.07501	2.5
117.06981	1.8
117.09092	4.9
118.09442	1.8
119.04899	3.5
119.08554	7.9
120.08046	2.0
121.06470	3.3
121.10100	14.7
123.04414	7.6
123.08024	4.9
123.11687	6.1
125.05933	1.7
125.09580	3.6
127.03891	50.2
127.07475	1.8
127.11185	1.4
129.06992	2.3
131.08508	8.2
133.02925	1.3
133.06474	1.5
133.10095	36.5
135.08023	7.0
135.11667	4.4
136.07544	1.4
137.05911	4.8
137.09584	2.9
139.03830	2.0
139.11171	3.3
143.08537	1.8
145.04927	26.3
145.10089	2.8
147.04385	7.1
147.07991	1.4
147.11653	9.5
149.09587	4.6
149.13223	4.3
151.03859	22.3
151.07544	1.5
151.11130	6.1
153.09113	8.1
158.10883	1.9
159.02846	2.8
161.05939	2.2
161.09608	2.4
161.13303	1.3
163.03880	2.8
163.06013	9.7
163.07288	1.9
163.11128	2.6
163.14780	2.3
165.05479	5.9
165.09056	1.6
165.12669	2.1
167.10609	2.3
169.04932	100.0
169.12231	5.6
173.13252	16.1
175.03847	6.9
175.07478	2.1
175.13309	1.9
175.14706	1.5
176.13548	1.5
177.05444	4.8
179.06886	2.0
179.14340	1.4
181.04890	6.2
187.06053	2.1
189.05450	3.4
191.14252	29.0
193.03236	2.4
193.04933	36.4
203.07054	2.6
205.04933	1.9
207.06432	11.7
207.13686	2.2
209.15326	49.8
211.05954	31.8
217.04900	3.5
219.06407	2.0
225.14815	2.5
226.04932	2.6
227.16373	30.2
229.15833	1.9
231.06465	5.4
233.04474	1.5
235.05972	24.3
238.17979	4.9
241.04904	1.6
247.05873	3.0
247.16859	3.0
259.05991	18.4
271.08017	1.8
277.06949	16.0
295.08087	3.8
295.21060	4.4
296.21393	8.1
297.11472	1.3
308.05817	1.5
313.08820	2.7
314.13644	1.6
318.09915	2.1
439.12161	1.3
475.16367	3.0
475.34973	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	474.29
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09423	0.5
53.03935	1.0
53.42318	0.5
55.01863	11.1
55.05501	1.4
56.04992	0.8
57.03423	3.9
57.07079	0.6
59.04989	6.1
60.04485	0.7
60.19071	0.6
62.35244	0.6
67.05482	2.2
68.91584	0.6
69.03420	3.8
69.07046	2.1
70.06589	4.9
71.04977	2.3
71.55429	0.8
72.08130	1.9
73.02905	30.9
73.06525	1.3
74.06056	1.3
76.51315	0.5
79.05493	2.0
81.03412	1.7
81.07047	3.6
82.06578	0.8
83.04977	2.0
83.08594	0.6
84.04466	0.7
84.08138	2.9
85.02898	6.7
85.06520	2.0
86.03194	0.6
86.06053	0.8
86.09698	3.5
87.00804	2.0
87.04465	6.4
88.03979	2.5
89.06019	50.7
91.03940	1.0
91.05463	2.6
93.07042	3.8
94.06566	0.8
95.04942	3.9
95.08575	3.3
97.02876	2.3
97.06512	1.3
99.04438	100.0
99.08078	1.3
100.07594	1.1
101.06013	2.1
102.05515	4.6
103.03923	5.6
103.07577	1.2
105.01845	1.1
105.07012	2.2
107.04949	1.7
107.07054	1.6
107.08556	3.9
109.02866	2.4
109.06499	1.0
109.10107	2.8
111.08043	0.8
113.05984	4.6
113.09574	0.6
115.03934	0.6
115.07558	0.8
116.07039	1.1
116.37283	0.6
117.05475	61.7
119.08558	2.1
120.08089	1.7
121.06493	1.4
121.10081	3.0
123.08078	1.9
123.11718	1.4
125.06075	0.6
125.09615	1.2
127.03900	3.1
128.04225	0.6
129.05521	0.6
129.10257	0.8
130.08615	1.9
131.04872	0.6
131.07025	6.6
131.08560	1.7
133.02777	0.6
133.06454	3.3
133.08585	29.1
133.10071	5.4
135.07980	1.3
135.11664	0.8
136.07491	0.8
137.05963	2.2
137.09572	1.4
141.05440	0.8
143.07004	1.0
143.08487	0.7
144.75829	0.7
145.04945	1.4
145.10135	1.8
146.04514	0.9
146.06096	0.7
147.04298	0.6
147.11658	1.2
148.06085	3.5
148.11984	0.8
149.05963	1.7
149.09607	2.1
149.13251	1.1
150.05453	0.8
151.07504	2.0
151.11177	1.3
153.09079	1.2
154.08632	1.0
157.08635	5.0
159.03017	0.7
159.11758	0.7
161.05988	3.3
161.08109	5.1
163.11148	0.6
163.14845	0.7
167.07048	1.1
167.10683	0.7
173.13254	1.6
174.05612	0.6
175.09657	4.6
177.05452	2.6
177.11191	10.6
177.12669	1.0
179.07033	0.7
187.09616	1.1
190.13112	1.0
191.14282	4.6
203.07031	8.0
203.09099	1.8
205.10689	2.7
207.13808	2.5
208.14128	2.6
209.15359	10.0
219.12225	1.8
220.34119	0.6
221.13828	1.7
225.14763	0.7
226.15231	1.3
227.16403	5.6
229.15475	0.9
239.14813	1.1
247.11694	0.6
249.13290	5.0
261.36221	0.7
283.17474	1.3
285.11356	1.5
293.15918	1.6
327.12256	1.6
327.20062	9.1
341.17990	0.8
377.01846	1.7
381.21072	1.1
395.55252	0.7
399.22388	1.0
439.25262	5.2
457.26291	4.7
474.15137	1.2
474.22446	0.8
474.28949	2.6
475.16367	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.01854	1.5
55.05503	3.0
55.19109	0.6
57.03415	1.3
57.07048	0.8
57.51581	0.6
59.04971	1.0
61.02896	0.8
65.03922	1.0
67.05492	4.8
69.03417	5.5
69.07055	3.6
70.06573	6.6
70.54929	0.5
71.04961	2.3
71.06921	0.6
71.54583	0.9
72.08131	1.8
73.02899	1.6
74.06056	0.8
77.03895	0.6
79.05470	4.5
81.03406	3.6
81.07026	5.8
82.06557	1.2
83.04971	1.2
83.08620	0.6
84.04479	1.2
84.08134	3.3
85.02423	0.9
85.02893	12.2
85.06510	1.3
86.06039	2.0
86.09686	4.9
87.00807	3.8
87.04465	0.9
87.10017	0.7
87.29061	0.5
88.02176	0.7
88.03972	0.8
89.06001	1.9
91.05464	12.8
93.07020	6.4
95.04959	3.6
95.08594	3.8
97.02872	2.7
97.06516	1.1
99.04433	2.4
100.07554	0.8
101.31779	0.7
103.03894	1.1
103.05466	1.2
105.01839	5.0
105.07009	17.5
107.08567	6.4
107.39220	0.6
108.04463	0.8
108.08887	0.8
109.02850	3.9
109.06486	1.8
109.10106	2.8
111.04421	0.7
111.08054	0.8
112.07600	0.6
115.05441	1.8
116.06193	1.8
116.06976	0.9
116.10683	2.1
117.06992	5.5
119.04881	0.7
119.08556	24.0
120.08066	0.9
121.06491	1.0
121.09413	0.7
121.10114	7.3
122.05944	0.7
123.08036	1.8
124.07560	1.2
125.06004	0.7
125.09557	1.0
126.09106	0.6
127.03889	5.8
128.06169	1.1
129.01935	0.6
129.06975	7.6
130.04939	0.6
130.07739	2.6
130.08611	1.6
131.08537	28.7
133.06558	0.9
133.08604	1.4
133.10106	8.9
134.04453	0.7
135.08005	2.4
135.11670	1.3
137.05943	2.3
137.09575	1.3
142.07733	0.9
143.08525	16.9
144.09308	4.1
145.04913	2.6
145.10085	16.6
146.08086	1.0
147.04372	1.3
147.08064	0.9
147.11658	24.0
149.09579	2.3
149.13219	2.1
151.03928	0.7
151.07506	0.8
151.11201	1.2
156.09315	1.4
157.10059	1.3
158.10884	16.3
159.02821	2.1
159.09192	0.8
159.11652	1.0
161.05867	0.9
161.09608	1.2
163.07639	1.0
163.11107	1.6
165.09088	1.4
165.12686	1.0
167.10628	0.9
171.11639	1.1
173.13225	100.0
174.13567	1.6
175.07527	1.1
175.14786	2.8
185.13303	0.7
187.11043	0.8
189.12645	1.0
191.11804	1.1
191.14268	19.0
207.13824	1.8
208.14110	3.3
209.15346	4.7
217.08511	1.3
219.11279	3.0
225.14825	1.2
226.15160	1.4
227.07730	0.6
229.15424	1.2
231.04912	1.2
249.05707	0.7
284.06897	1.5
299.09027	4.0
299.16245	0.8
339.14304	0.6
341.10196	2.9
341.13846	0.8
342.22690	0.7
360.23679	2.5
415.14914	1.2
456.24063	0.7
474.16522	1.8
474.22086	4.9
474.27921	1.0
475.15796	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
55.01858	0.9
55.05501	1.0
57.03416	0.6
61.02886	0.7
65.86755	0.4
67.05465	0.7
69.03424	2.5
69.07059	2.3
69.28389	4.1
70.06579	0.8
71.04977	1.3
73.02882	1.3
79.05465	1.5
81.03402	2.2
81.07038	4.1
84.04455	0.4
85.02894	6.6
85.06516	1.6
86.06026	0.4
86.09663	0.5
87.00840	2.1
87.08094	1.9
91.05460	4.8
93.07021	3.2
93.15498	0.3
95.04942	0.7
95.08592	1.9
97.02866	2.6
97.06519	3.4
98.20724	0.9
99.04439	1.1
99.08079	0.6
101.74507	0.4
105.01837	2.0
105.07015	14.3
106.06595	0.4
107.08561	2.9
109.02870	1.8
109.06489	1.5
109.10161	1.8
111.08080	0.8
116.06221	0.4
117.01791	0.5
117.06987	1.2
119.08554	3.7
121.10138	2.4
122.05980	0.8
123.08025	1.6
127.03896	3.6
129.06960	1.1
130.08699	0.4
131.08545	25.1
132.08839	0.5
133.10107	100.0
134.10429	0.8
135.08044	2.4
135.11649	0.5
143.08553	1.6
144.09303	0.9
145.04933	1.5
145.10097	6.9
146.05956	0.7
146.92218	0.4
147.11667	3.4
149.09572	1.5
149.13243	2.1
158.10892	4.3
159.02872	1.5
163.06102	0.5
163.11186	0.9
163.14830	0.7
165.09131	0.4
171.11617	0.6
173.13235	73.3
174.13583	0.7
175.14865	0.6
176.07033	1.3
191.14275	92.9
192.14690	0.9
197.07115	0.4
209.15399	1.6
211.08556	0.5
225.10194	0.6
231.04945	0.5
241.09735	0.4
263.08173	0.8
271.10971	0.5
311.10422	0.6
316.14490	0.7
323.10101	0.5
329.11758	0.4
330.12177	0.9
342.12332	1.2
343.13281	0.8
344.13828	1.2
346.15405	0.6
351.69089	0.4
356.13907	0.6
357.10852	0.5
357.14835	0.8
358.15475	1.3
368.14371	0.5
370.11789	1.4
371.12585	1.8
372.13361	1.5
373.14569	0.5
374.14642	0.7
383.13858	0.5
385.14117	1.2
386.14923	5.0
387.15665	2.6
414.14465	3.0
415.15195	9.8
416.15695	1.7
418.17456	0.5
428.15894	0.8
430.17599	0.6
432.15274	0.6
446.17105	2.3
456.15646	1.8
474.16623	19.7
475.17123	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	474.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.5
55.01858	2.0
55.05500	1.2
57.03422	1.2
57.07058	1.6
59.04980	0.8
61.02901	0.9
65.03924	0.7
67.05488	6.4
69.03414	6.2
69.07050	1.8
70.06566	1.8
71.04972	4.7
71.13171	0.4
71.53096	0.5
72.08138	0.5
73.02900	1.8
79.05470	3.5
81.03396	4.2
81.07042	5.7
83.04951	1.0
83.08596	0.8
84.08121	1.5
85.02884	12.3
85.06524	2.6
86.06042	0.6
86.09657	0.5
87.00805	5.3
87.04429	0.5
91.05456	5.3
93.07021	5.6
95.04948	4.7
95.08594	5.5
97.02872	4.1
97.06520	2.5
99.04437	2.7
105.01851	4.3
105.07006	9.6
107.08566	9.4
108.08887	0.6
109.02866	3.8
109.06495	74.4
109.10133	20.3
111.08049	2.5
111.89420	0.5
115.03854	0.5
115.05469	0.6
117.06991	2.0
119.08552	4.5
121.06468	1.8
121.10103	5.3
122.10447	0.6
123.08038	10.9
125.09646	0.7
127.03895	8.4
129.06984	0.9
130.08615	1.9
131.08540	17.4
131.09525	0.9
133.10103	32.4
134.10379	0.4
135.08026	32.3
135.11690	2.3
136.06152	1.1
136.11998	0.7
137.05945	0.6
137.09576	0.7
138.93492	0.4
139.07497	1.5
139.11235	0.5
140.07828	0.6
143.08533	1.4
143.78362	0.5
144.09309	0.8
145.04962	3.2
145.10078	4.6
147.02896	0.6
147.04320	0.5
147.08018	1.1
147.11661	4.6
149.09590	3.6
149.13235	2.4
150.10249	0.5
151.11183	0.6
153.09053	3.2
158.10866	2.7
159.02890	2.4
159.08083	0.5
161.09665	0.7
163.11127	0.8
163.14795	0.9
165.09105	0.9
166.09293	0.6
171.11731	0.8
173.13229	31.8
175.14810	1.3
177.26874	0.4
185.13171	0.6
188.11093	0.4
191.14265	100.0
192.14578	2.0
195.11971	0.5
207.13722	2.1
208.14104	3.1
209.15324	69.9
210.15671	0.8
213.04007	0.5
231.04903	1.3
323.10172	0.5
347.40836	0.5
415.14926	0.5
456.15439	0.7
474.16443	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	474.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.3
55.01868	1.7
57.03418	0.5
65.03932	0.6
67.05495	1.4
69.03418	3.1
69.07054	0.3
70.04080	0.4
70.06587	0.5
71.04978	0.9
73.02895	0.3
79.05051	0.5
79.05479	4.4
81.03395	0.6
81.07043	1.5
83.04988	0.3
84.08139	0.3
85.02893	0.9
85.06519	0.4
90.97137	0.2
91.05461	5.0
93.07037	2.4
95.04954	5.4
95.08580	4.0
97.02884	0.5
97.06550	0.4
99.04436	1.0
105.07010	5.6
105.07685	0.5
107.04941	0.5
107.08578	14.9
109.06499	3.9
109.10143	2.8
115.05450	1.2
117.07013	4.4
119.05990	0.3
119.08560	1.1
121.06491	0.6
121.10098	1.0
123.08034	0.5
125.03835	0.2
127.03873	0.4
130.08672	0.3
131.08574	1.7
131.09479	0.3
133.06451	0.3
133.10107	3.9
135.08032	100.0
136.08365	1.3
137.05910	0.3
143.06993	0.7
143.08539	0.6
145.10104	0.9
147.11699	0.5
149.09552	1.7
149.13213	0.4
158.10841	0.4
161.09598	3.3
163.11172	0.3
163.14865	0.4
173.08046	0.6
173.13242	3.4
189.09091	1.7
191.14276	84.9
192.14671	1.6
209.15364	0.8
225.11119	0.3
229.62326	0.3
253.14275	0.6
263.12897	0.6
281.11063	0.4
281.13812	4.4
423.10651	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96537	2.5
62.53096	1.5
63.64148	1.4
71.15991	4.2
72.27622	1.6
82.70155	2.0
90.27818	1.6
100.07615	1.8
124.99078	1.9
146.08086	12.1
148.15756	1.6
184.03705	100.0
220.04843	3.0
238.05994	3.2
285.11157	2.3
329.10257	2.0
347.11105	13.2
364.90671	1.9
365.12277	2.6
474.17664	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	474.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.5
55.01857	2.1
55.05490	3.1
57.03420	2.8
57.07064	1.4
61.02905	1.8
61.51053	1.0
62.38594	1.0
64.81067	1.2
67.05492	6.3
69.03416	8.8
69.07043	3.8
70.06580	2.1
71.04980	6.0
72.08133	0.9
73.02911	6.3
73.03234	1.1
76.80154	0.9
79.05489	5.6
80.04967	1.0
81.03394	4.0
81.07042	6.3
83.04975	5.1
83.08585	2.3
84.04463	4.6
84.08126	1.9
85.02432	1.7
85.02892	17.0
85.06525	3.5
86.09656	1.4
87.00809	3.7
87.04366	1.2
91.05465	7.1
93.07029	10.6
95.04971	4.9
95.08588	8.2
97.02850	7.4
97.06487	2.1
98.21521	2.6
99.04433	2.5
100.11256	2.2
105.01862	4.9
105.07011	8.6
107.08589	10.3
109.02843	2.9
109.06500	90.0
109.10132	21.4
111.04401	3.6
111.08059	2.6
115.03949	1.1
115.05452	1.0
117.07063	1.5
119.08560	6.9
121.06424	1.2
121.10134	10.9
123.08045	14.1
127.03897	9.7
127.12832	0.9
129.05464	1.5
129.06989	1.8
130.04984	2.5
131.08540	15.2
133.04948	1.9
133.10110	15.5
135.08026	39.5
135.11697	1.1
137.09608	1.4
145.04968	6.8
145.05963	1.7
145.10083	3.8
147.08005	2.4
147.11642	3.7
149.02295	2.0
149.09581	5.6
149.13217	2.4
153.09122	5.4
158.10846	3.0
159.02841	2.1
162.07587	3.0
163.05916	1.3
165.09096	3.7
172.13426	1.1
173.13223	24.3
187.91237	1.0
191.14275	89.9
209.15326	100.0
210.15810	1.5
231.04849	1.6
295.10156	1.9
295.15347	1.4
325.11334	1.9
344.60669	1.1
498.35931	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.2
59.30811	0.1
65.03936	0.2
67.05499	1.1
69.55267	1.1
78.54890	0.2
79.05488	0.2
86.38690	0.2
93.13452	0.1
94.06550	4.1
95.04926	0.2
106.06534	1.6
122.06009	3.8
150.05475	100.0
151.05779	1.0
168.06531	39.4
169.06874	0.5
169.20842	0.1
225.82622	0.2
346.82187	0.2
456.14960	1.8
464.97690	0.2
474.15829	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1729
Annotation	Raloxifene
Peak:m/z	Relative Intensity
56.06687	0.3
56.69634	0.3
69.47353	2.0
83.06056	0.4
86.03481	0.3
91.05449	0.3
94.06514	1.1
95.06020	0.6
96.04465	0.4
104.04919	0.3
105.03342	0.7
105.05730	0.5
106.06506	0.6
111.05554	3.4
120.04458	2.1
122.05934	1.0
122.06831	0.2
122.28803	0.3
123.05504	0.7
125.05755	0.4
126.06635	1.8
132.04434	21.9
133.05196	0.3
134.05144	0.4
134.06006	4.5
137.04703	1.3
147.04298	0.4
150.05475	18.7
151.06120	7.9
152.04485	0.4
152.06693	0.4
162.44403	0.3
168.05177	0.6
168.06544	8.5
177.03978	0.3
194.06706	3.9
195.07503	0.7
202.09731	1.7
208.08246	0.4
216.11249	0.8
227.09177	0.4
230.09169	1.5
232.10764	0.8
240.60912	0.3
242.09189	4.5
257.10315	4.0
258.08691	0.9
259.11865	10.3
274.13025	0.3
284.11380	4.9
302.12433	15.1
303.12881	0.3
327.11926	2.6
345.13004	100.0
346.13312	3.4
347.13425	0.3
390.26096	0.3
428.16846	0.4
455.95776	0.4
456.15833	1.8
465.41354	0.3
474.17261	20.5
475.17352	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.9
55.01862	2.5
55.05503	42.4
55.96525	1.7
57.03429	29.6
57.07069	39.0
59.04979	2.0
67.05492	49.8
69.03419	1.7
69.07057	66.6
71.04975	4.8
71.08617	24.9
71.52829	1.7
72.89664	1.3
75.04456	8.3
75.04840	1.4
79.05482	21.3
81.07040	73.0
83.04967	5.0
83.08604	52.1
83.09111	1.6
84.08156	1.6
85.06529	4.1
85.10175	15.0
87.41378	1.3
90.30128	1.3
91.05460	4.9
93.07028	29.5
95.04970	1.7
95.08591	80.7
95.29239	1.8
97.06525	18.9
97.10149	33.6
99.08070	2.3
101.05988	3.1
105.07026	3.9
106.97693	1.3
107.08583	25.3
109.10139	39.2
110.10541	1.3
111.08065	13.9
111.11704	10.0
111.94969	1.6
113.05989	4.3
115.07542	2.4
119.08566	2.9
121.10123	34.2
123.11674	14.8
125.09593	10.5
125.13261	3.1
125.75559	1.5
125.82420	1.2
129.09109	3.2
131.07019	6.2
131.08536	2.2
133.10086	2.8
135.11659	22.5
137.09715	1.3
137.13255	5.5
139.11145	8.2
143.10649	2.4
147.11678	1.9
149.13234	13.7
153.12750	7.5
157.12236	2.3
159.11624	2.2
163.14804	6.8
167.14273	4.9
171.13777	3.3
175.14813	3.1
177.16370	5.6
181.15836	3.6
185.15346	2.3
189.16336	2.3
191.17946	4.3
193.22577	1.5
195.17442	3.8
199.16933	2.4
205.19559	1.6
207.17345	2.5
209.18964	2.3
220.97093	1.4
223.20508	2.2
260.22766	1.5
261.25751	7.3
271.24072	2.3
279.26755	13.8
289.25354	7.7
290.24863	1.4
297.27841	2.4
307.26315	17.6
325.27396	4.8
343.28363	100.0
344.28833	3.4
381.29919	54.8
399.30988	75.1
400.31451	2.2
455.33624	34.2
473.34705	84.4
474.35287	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	473.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84794	2.7
53.03944	7.0
55.01855	4.8
55.05499	3.9
57.03419	3.4
59.04994	4.4
67.05503	4.5
68.94371	2.9
69.03414	17.3
70.06581	9.3
70.10539	6.9
70.10931	5.2
71.04977	7.4
72.08141	4.4
73.02908	3.9
79.00189	2.9
79.05466	10.5
81.03394	15.1
81.07041	15.3
83.04945	6.4
83.08583	5.1
84.04472	3.9
85.02882	34.0
85.06522	4.2
86.09694	8.4
87.00826	12.5
87.04456	5.1
91.05463	8.1
93.07043	14.2
95.04961	9.2
95.08596	18.5
97.02878	12.3
97.06524	11.7
99.04431	16.2
105.01864	7.7
105.07020	19.6
107.08566	59.8
109.02856	12.8
109.06497	78.1
109.10138	4.0
111.08070	5.7
119.08553	15.3
121.06522	4.8
121.10124	44.2
122.05950	3.1
123.08041	87.4
123.11681	15.9
125.05967	6.8
125.09602	16.7
127.03897	15.7
127.07607	3.8
131.08537	11.0
133.10109	4.3
135.11670	8.2
135.86063	2.8
137.05917	2.7
137.09589	5.2
137.13243	7.2
139.11186	8.0
145.04945	6.4
145.10094	5.0
147.04420	3.6
147.11647	35.8
149.09598	100.0
151.07492	9.0
155.10718	3.2
156.09227	3.2
159.02988	3.4
161.13292	4.8
163.11180	8.3
165.12712	15.8
165.68088	2.7
167.10699	25.8
171.11659	10.6
179.14299	33.9
183.13808	3.6
189.12708	23.1
191.14447	4.1
207.13757	82.0
225.14798	51.2
231.04973	6.5
249.14832	3.3
336.22073	3.1
370.57953	3.1
431.07779	2.8
473.20267	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	473.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.0
55.01850	6.6
55.05504	14.9
57.03421	5.5
57.07054	2.4
59.04985	4.8
61.02896	3.7
65.03923	2.0
67.05493	13.8
68.99773	4.1
69.03418	23.9
69.07056	9.1
70.06583	5.6
71.04984	17.4
71.52430	3.6
72.08131	2.0
73.02914	4.5
79.05484	14.0
81.03402	19.8
81.07038	21.9
83.04974	11.8
83.08604	25.0
84.08132	5.0
85.02894	45.9
85.06535	5.5
85.07038	1.4
86.06047	4.5
86.09730	3.0
87.00822	12.3
87.04466	5.8
89.06023	3.3
91.05471	19.8
93.07028	23.7
95.04948	36.9
95.08591	20.2
97.02880	17.5
97.06535	5.1
97.10155	2.1
98.09685	2.3
99.04439	52.4
99.08090	2.8
103.05434	2.1
105.01850	6.9
105.07021	18.7
107.04938	3.4
107.08577	60.5
108.08900	2.9
109.02849	20.7
109.06499	24.8
109.09447	2.1
109.10149	17.0
111.04424	13.9
111.08059	6.5
113.05962	8.0
113.09628	3.4
115.03918	4.0
116.10700	2.3
116.37543	1.5
117.06978	4.8
119.04970	1.9
119.08554	21.9
121.06493	5.7
121.10122	21.6
123.04413	4.5
123.08052	33.6
123.11706	13.0
125.05983	2.1
125.09611	33.4
127.03875	25.3
129.01826	4.2
129.05457	2.6
129.06998	3.6
130.08675	1.7
131.04878	1.6
131.08501	7.8
133.06482	3.2
133.10124	12.3
135.04359	2.5
135.08018	10.6
135.11687	4.7
137.05922	7.5
137.09589	24.2
137.13243	2.7
139.07544	3.9
139.11147	3.3
143.08519	5.4
143.10707	2.2
145.04895	8.9
145.06464	3.5
145.10106	7.7
147.02876	3.0
147.04335	4.0
147.08054	10.7
147.11647	10.3
149.05978	2.6
149.09598	20.4
149.13232	5.1
151.07478	4.1
151.11128	3.9
153.09100	4.4
153.12697	1.7
155.10597	2.0
157.10107	4.4
159.02899	4.2
159.08051	4.9
159.11655	6.6
161.05908	1.8
161.09616	6.0
161.13275	2.2
162.07611	3.0
163.07550	3.0
163.11131	4.1
163.14697	2.6
165.05487	3.1
165.09094	22.9
165.12688	11.6
167.07005	3.9
167.10648	26.7
171.08054	2.7
171.11636	2.8
173.09593	4.6
173.13232	4.4
175.11093	2.9
177.09016	3.4
177.12781	2.8
179.07082	1.9
179.10670	5.7
181.12216	4.2
183.13785	15.6
185.09567	2.1
185.13208	2.2
187.11047	2.1
189.03880	1.9
189.09062	4.2
189.12752	6.8
189.16408	2.1
191.07053	2.6
191.10654	14.5
191.14304	3.4
193.08617	2.4
193.12149	2.5
195.11873	2.2
195.13742	9.4
199.11227	1.9
201.12724	2.4
203.10693	5.4
205.12201	4.1
207.13716	11.4
208.16972	2.7
213.04034	2.3
215.10574	3.3
216.33914	1.7
219.13750	5.8
221.11673	1.8
223.13271	6.9
225.14818	100.0
226.15395	2.7
226.18013	9.1
231.04984	2.8
231.10013	2.0
231.13759	2.3
233.11693	2.5
235.13231	6.3
237.14801	26.5
249.14816	36.0
257.11597	1.8
261.14819	7.8
267.15903	9.0
269.15247	1.7
273.14801	3.7
275.12811	3.4
279.15909	4.0
281.13449	2.1
291.07111	2.2
291.15854	10.2
315.15848	7.8
333.16864	4.6
364.99301	1.9
419.17090	3.4
437.17938	9.6
455.18784	8.1
455.31857	2.1
473.20499	4.9
473.27658	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	472.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94614	0.2
55.01867	0.2
55.05505	0.3
55.73937	0.2
56.04998	0.2
57.91925	0.1
65.03928	0.3
69.03405	0.5
69.07047	0.2
70.06577	3.1
70.83848	0.4
70.84169	0.2
72.08119	0.6
77.75672	0.2
81.03407	0.4
81.07016	0.2
82.06553	0.2
84.04494	0.5
84.08128	2.1
85.02867	0.6
86.09677	1.4
88.03983	0.2
91.05457	0.3
92.05012	0.2
93.07026	0.2
97.02870	0.4
98.09650	0.4
99.04447	0.2
100.07600	1.3
103.03904	0.3
104.07040	0.2
105.07041	0.2
110.07101	0.3
112.11165	0.3
116.07024	0.3
117.03337	0.2
119.08593	0.2
120.04469	0.2
120.08106	0.2
121.02842	0.2
122.05988	0.3
124.03904	0.4
124.07584	0.2
127.03918	1.0
129.10208	0.4
129.13879	0.2
130.08571	0.3
131.72641	0.2
136.07532	0.2
137.05974	0.3
138.05479	0.6
140.07057	0.2
145.02824	0.2
145.04930	0.4
146.08084	0.7
148.03900	8.8
148.07607	0.3
163.11060	0.2
164.07025	0.2
166.04967	100.0
167.05310	1.0
167.06923	0.2
169.13243	0.2
171.14964	0.2
177.05426	0.5
191.10614	0.2
209.11697	0.3
217.11920	0.3
224.13954	0.5
224.19531	0.2
241.23495	0.2
276.12344	0.2
296.80988	0.2
297.12985	0.2
310.12973	0.2
336.02792	0.2
339.48438	0.2
420.08585	0.2
471.42560	1.2
472.19885	0.4
472.42984	0.6
473.16180	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.9
55.05490	2.7
58.99573	1.0
67.05492	3.3
68.05003	1.8
69.03397	1.3
69.07063	7.9
69.31714	6.3
70.06586	3.0
71.04965	1.9
72.08130	0.7
74.06075	1.0
75.16253	0.6
76.02203	1.6
79.05499	3.5
80.05000	1.1
81.05781	1.1
81.07043	6.3
81.40038	0.6
81.53670	0.7
82.06548	1.2
83.04985	1.0
83.30788	0.6
84.04485	2.6
84.08128	2.0
85.02877	2.3
85.06539	1.0
86.09684	1.7
88.90559	0.6
91.05472	2.3
93.07024	1.9
94.06551	8.4
95.04951	2.5
95.08582	1.9
96.08112	6.5
97.06516	2.1
98.09657	2.2
98.20819	1.5
99.08076	1.4
100.07594	1.3
100.11249	2.6
104.04996	1.3
105.05733	0.9
105.07024	2.1
107.04922	0.7
107.08590	1.6
109.10143	1.5
110.06059	1.3
111.04435	2.4
112.07586	2.8
115.05389	0.7
116.10693	0.9
118.06490	1.0
119.08586	1.4
120.08093	1.4
121.10139	1.1
122.06006	27.5
123.04419	1.5
124.07577	36.8
127.03880	1.4
128.07068	1.4
129.06801	0.7
130.04962	1.0
131.08548	0.6
133.10139	1.0
135.11682	1.4
136.07568	1.0
137.05956	1.2
140.07045	71.4
142.03177	0.7
144.04407	1.8
145.05104	1.2
145.10091	1.5
146.05991	28.0
148.07530	1.2
153.09027	0.8
154.08705	0.8
157.07564	0.7
157.10030	0.7
159.11554	0.6
162.02168	1.0
162.05460	1.6
164.07088	0.7
166.08600	2.6
172.03902	13.5
173.04704	9.1
174.05486	50.9
174.13458	0.6
175.05844	1.1
175.14604	0.7
176.07042	0.7
178.08548	0.9
179.04881	0.9
182.15384	3.2
184.07404	1.0
190.05034	1.4
191.05739	12.6
192.06531	5.4
198.14902	3.2
204.06538	17.9
205.07037	0.7
206.08099	16.3
210.14880	4.8
211.16911	1.9
224.10701	0.9
226.14357	2.2
228.15948	1.1
238.10857	0.8
239.11658	1.0
240.08948	1.6
241.13426	0.8
243.11557	0.7
245.18582	1.0
251.65343	0.8
252.08786	0.8
255.11253	2.6
257.12836	1.5
267.11200	1.2
269.12793	8.5
279.11243	1.7
285.12259	9.5
291.15704	0.8
297.12289	13.0
298.12964	1.8
300.12247	0.8
305.12976	0.8
309.12714	1.2
313.11774	31.6
314.12222	1.5
315.13361	1.2
325.03281	4.0
329.14951	6.7
331.12833	6.8
337.11960	1.4
337.21243	2.0
339.13272	1.1
345.14404	2.9
355.22293	2.7
382.59451	0.7
396.19165	2.2
438.20197	100.0
439.20410	3.5
452.31384	3.0
456.21219	11.7
457.21243	0.7
470.22946	11.3
470.32388	4.2
471.08667	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	469.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.0
57.03418	1.7
57.07067	100.0
58.04192	4.2
59.04994	24.5
67.05461	2.0
69.07048	4.2
71.08620	87.3
71.18497	1.4
72.05753	3.9
73.02895	2.8
73.06531	3.9
78.87027	0.9
81.07062	1.4
81.18324	1.0
82.07817	0.9
83.08588	3.4
85.10170	73.2
86.07278	1.6
86.10479	1.5
87.04461	6.2
87.08088	1.1
88.05219	1.5
89.06024	10.2
90.01902	20.1
95.08582	2.0
97.10139	3.7
99.11721	15.3
103.07568	4.5
109.10120	1.5
111.11716	1.7
113.13250	5.3
116.08308	1.8
117.09086	5.3
133.08566	4.4
141.16359	3.6
148.50504	0.9
152.15575	3.5
155.17935	10.4
177.11143	1.0
178.07074	2.7
183.17390	2.5
196.07977	1.1
199.20523	2.8
212.21266	2.0
213.22101	11.9
222.09645	6.9
240.10786	8.1
257.24658	4.5
280.14014	1.2
283.17291	0.9
298.14902	1.2
333.87442	1.0
452.32019	1.8
469.34671	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	470.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	12.0
55.93508	1.5
57.03173	1.3
57.03428	14.4
57.07071	4.1
59.04974	1.2
60.04530	0.9
61.02909	1.7
67.05480	2.6
69.07040	3.9
70.02927	2.5
70.06569	4.3
71.01326	3.1
71.54712	0.8
71.55109	0.9
72.04137	1.4
72.04504	16.0
73.02494	1.1
73.02903	14.3
74.02424	1.0
75.04449	1.3
76.67288	0.9
81.07009	1.0
82.06548	1.5
83.01385	0.8
83.04939	1.4
84.08133	6.4
85.02885	14.7
85.06530	4.8
86.06036	1.4
86.09673	2.9
88.11217	1.6
90.05540	5.2
91.05473	4.4
95.01307	6.2
95.04952	3.5
96.08127	1.8
97.02867	3.6
98.02388	8.0
99.00774	1.2
100.03937	3.1
100.07568	1.4
101.02350	1.3
103.03931	2.8
103.07549	2.0
110.07138	1.2
113.02386	5.4
113.05959	3.9
116.03426	11.3
117.05473	56.6
119.04910	9.7
123.04343	0.9
124.07565	11.0
129.05458	100.0
129.10162	1.3
130.08618	5.8
131.03432	4.1
131.07016	1.6
132.10136	1.0
132.60097	1.0
141.01816	10.3
142.08591	8.6
145.02805	1.3
146.08098	14.2
147.04381	26.0
148.09680	1.6
159.02904	1.7
160.09647	4.5
163.03958	1.2
164.09166	17.8
166.08591	1.0
171.06493	2.3
174.11153	4.8
175.03897	1.0
177.05444	3.4
184.09669	15.7
191.72713	0.9
202.10713	30.8
207.06752	1.0
226.15590	0.9
245.11121	1.1
258.13336	3.2
259.97574	1.6
260.98325	1.1
276.14365	59.7
285.99133	1.3
294.15405	75.1
295.15851	1.1
305.08603	20.0
340.12476	2.5
434.16614	2.2
452.17535	14.9
470.18710	4.7
470.25400	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01502	0.5
55.01846	0.8
55.05488	1.4
67.05484	1.6
68.05000	1.1
69.03430	1.1
69.07059	5.4
69.81604	1.8
69.82032	1.7
70.06564	2.2
72.08112	0.9
75.60374	0.5
77.81267	0.5
78.83876	0.5
79.05478	1.9
80.04990	0.7
81.07059	2.7
82.06546	0.6
83.04969	1.0
84.08127	1.6
85.02922	1.4
86.09669	1.1
91.05491	1.1
93.07027	1.8
94.06555	5.8
95.04961	2.0
95.08589	1.2
96.08117	2.9
97.02868	1.2
97.06510	1.0
98.20808	0.8
104.04971	1.0
105.05734	0.9
105.07001	1.8
107.08589	1.2
109.06503	0.8
109.10111	1.3
112.07575	2.1
114.05464	0.7
118.06498	0.7
119.08570	1.2
120.04430	1.0
121.06451	0.7
121.10120	0.9
122.06004	20.1
123.04409	1.4
124.07566	20.4
124.08475	1.1
127.03893	0.6
128.04327	0.7
130.04958	0.9
131.08575	0.7
133.10141	1.1
135.08051	0.8
137.09613	0.7
140.07036	39.5
142.08618	1.1
144.04395	1.1
145.10043	1.1
146.05971	34.5
147.06624	0.6
147.11668	0.7
147.47937	0.5
152.07050	0.9
154.08569	0.6
156.72562	0.5
157.04961	1.2
172.03899	5.2
173.04678	7.6
174.05470	32.2
175.06224	1.0
178.08633	0.8
187.14850	0.8
190.04929	0.9
191.05704	12.0
191.07242	1.0
192.06511	2.3
204.06487	8.6
205.07263	1.2
206.08075	5.7
211.12280	1.1
212.09415	1.1
213.10307	0.9
227.08134	1.7
227.11705	1.3
229.13347	0.7
239.11713	1.2
240.08806	3.9
241.09637	2.2
241.13329	4.4
253.13232	0.9
254.10477	1.1
255.11215	17.2
256.11975	2.8
257.12793	4.3
267.11252	1.0
269.12790	15.7
279.11060	1.1
280.12012	1.5
285.12347	4.3
297.12259	47.6
298.12946	1.2
313.11761	11.8
315.13419	1.0
329.14932	5.5
331.12778	2.8
386.09769	0.8
396.19095	10.8
410.20654	1.2
420.19199	1.8
438.20160	100.0
439.20605	3.3
456.21097	1.1
470.22754	1.5
470.36615	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19523	0.3
58.81570	0.4
67.26655	0.3
70.27667	1.4
84.08115	0.4
90.20760	0.3
112.41840	0.4
112.89574	0.6
117.38221	0.3
151.79359	0.4
195.02321	0.6
199.69270	0.4
210.99825	1.7
226.03265	0.6
226.50272	0.4
238.71205	0.4
250.03035	0.4
264.04755	0.4
280.04321	1.1
285.35300	0.4
298.05389	1.5
322.05362	1.0
324.08792	0.9
340.02368	0.4
340.06284	7.8
454.00064	0.4
456.61649	0.4
469.13098	100.0
470.13547	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	469.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52456	1.0
53.03943	1.3
55.01857	2.3
55.05500	3.0
56.05019	1.3
56.72416	0.9
57.03416	1.7
57.07091	1.1
59.04993	1.5
60.21096	1.0
65.03921	1.4
67.05484	8.5
69.03413	4.6
69.07043	3.8
70.06582	6.1
71.04987	9.4
71.54312	2.5
72.08134	3.8
73.02901	3.1
79.05476	4.3
80.05006	1.0
81.03413	3.1
81.07038	11.2
82.06545	1.3
83.04967	2.4
84.04485	1.3
84.08134	7.0
85.02887	11.1
85.06528	9.8
85.08495	0.9
86.09694	2.0
88.03979	4.3
89.42979	1.1
91.05460	8.6
92.05806	1.3
93.07029	18.8
94.07359	2.3
95.04947	67.2
95.08596	11.6
96.05275	1.3
97.02883	2.3
97.06528	5.5
98.97577	2.8
99.04434	24.6
99.08086	12.4
100.07606	3.2
105.07011	12.6
107.04947	1.5
107.08581	20.2
109.02861	1.8
109.06509	5.0
109.10135	33.1
110.07146	6.1
111.04420	1.2
111.08098	2.6
112.11152	1.0
115.07568	4.0
116.07055	1.3
116.98598	1.8
117.07038	2.0
119.04943	2.2
119.08553	10.9
120.08102	2.3
120.08903	3.6
121.10133	10.3
122.05978	2.0
122.10475	1.3
123.08028	2.7
123.11694	16.1
124.07623	1.4
125.05904	1.4
125.09623	1.9
127.03857	5.4
127.07474	5.0
127.11143	1.4
129.10217	1.5
130.08662	2.3
131.08531	8.3
133.10103	85.4
133.30487	1.0
134.10422	1.9
135.08052	3.6
135.11629	1.6
135.55544	1.0
136.07564	3.4
137.05965	1.2
139.11166	6.5
143.08513	1.5
145.02820	1.9
145.04913	1.2
145.10121	3.7
146.08099	3.6
147.04408	3.9
147.08018	2.7
147.11655	3.9
148.08354	1.2
149.09590	4.3
149.13206	6.8
150.05496	1.0
151.11163	20.9
153.09068	31.5
158.10869	2.9
161.05923	1.8
163.11227	1.2
163.14772	3.1
164.07008	1.1
165.09077	2.1
166.09453	2.6
169.12198	15.6
171.14851	1.1
173.13229	30.2
177.00684	1.4
177.05481	3.7
190.91113	1.1
191.12975	0.7
191.14268	46.0
209.15326	100.0
210.15656	3.5
213.12396	1.3
223.10368	1.2
227.16354	15.9
247.81549	1.1
251.14964	1.4
304.12256	2.5
305.12311	5.0
307.13022	1.9
308.15170	1.2
364.42200	1.1
468.62866	1.1
469.10757	3.9
469.40845	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3079
Annotation	2-tetradecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
50.55625	0.5
55.05479	0.6
55.19884	0.5
56.05019	1.2
57.03421	0.6
57.07060	3.1
58.06593	1.4
60.08154	14.1
67.05494	0.9
69.07056	1.3
70.71147	0.6
70.71479	1.1
71.07360	5.3
71.08614	1.8
73.02908	0.7
79.05475	0.7
81.07047	1.1
82.34543	0.5
83.08577	0.7
84.04479	0.5
84.08110	1.0
85.10165	1.1
86.09692	47.5
88.64904	0.5
90.83819	0.4
91.05466	0.4
91.52107	0.4
95.08597	2.2
95.53133	0.4
97.02898	0.8
98.98438	3.1
100.07599	0.7
104.10723	100.0
105.11060	0.9
105.40015	0.5
109.10164	0.7
124.99982	25.3
126.05505	1.1
130.08638	0.9
138.05508	0.8
163.01602	0.7
184.07309	96.0
185.07629	1.2
187.92722	0.5
204.08661	1.2
231.23988	0.5
258.10971	0.9
285.24203	3.7
423.39093	0.5
450.29620	9.1
468.30804	44.4
469.31131	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	468.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	4.5
57.03415	1.7
57.07063	100.0
58.07385	1.8
59.04989	19.4
59.21984	1.0
67.05487	4.7
69.03406	1.8
69.07058	6.6
71.08614	92.6
72.08950	1.4
73.06553	1.5
81.07042	5.4
82.07372	1.5
83.08590	3.7
85.10163	85.3
86.10509	1.5
87.04443	10.4
89.06005	40.8
91.05484	1.3
93.06996	1.4
95.08595	3.4
97.10141	2.5
98.97855	1.2
98.98421	5.6
99.11713	12.5
103.03922	47.6
103.07571	8.9
104.04224	1.1
105.52779	1.0
107.07047	2.0
107.89194	1.0
109.10129	2.5
110.10402	1.6
111.11691	1.5
119.07011	1.0
121.08576	5.9
130.08601	1.9
131.07004	4.6
133.05203	1.9
133.08578	26.2
141.16356	10.0
147.06488	6.6
147.09987	1.4
149.04692	1.7
155.01035	6.2
156.01349	2.5
162.05473	1.4
163.06259	3.7
163.09662	1.5
164.06955	2.5
177.11241	7.2
185.18887	1.3
191.09108	3.8
194.08167	1.8
195.12411	1.3
199.20514	16.3
207.12228	10.9
235.11707	20.9
239.14766	2.2
243.23112	5.2
253.12762	24.7
283.17484	9.8
293.15906	2.3
297.15424	1.9
311.16919	1.4
313.27304	2.6
314.27661	14.1
450.26672	2.7
451.36926	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	468.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.2
55.01861	22.2
55.05493	4.2
57.03429	14.5
65.48196	1.5
67.05486	5.9
68.05013	1.6
69.03409	5.7
69.07040	4.4
70.06586	12.3
70.17469	1.4
71.01338	2.9
71.04969	3.5
71.53999	1.6
72.08139	18.8
73.02552	1.4
73.02905	11.2
75.04440	2.2
79.05470	9.0
81.03384	5.6
81.07044	12.8
83.04972	3.2
83.08590	2.5
84.04490	2.6
84.08124	7.0
85.02888	19.2
85.06515	2.3
85.39256	1.4
86.06060	1.8
86.09669	5.0
87.00813	2.6
88.02191	2.3
91.05476	11.6
93.05481	3.1
93.07021	33.2
94.06537	3.6
95.01311	5.4
95.04929	6.7
95.08603	8.2
97.02875	7.6
97.06487	3.8
98.57890	1.5
99.04446	2.8
100.02160	1.8
100.07589	13.7
101.05982	1.9
103.03909	3.2
105.01844	1.8
105.07006	9.0
107.04916	1.5
107.08572	15.8
109.02821	3.4
109.06489	4.5
109.10110	6.6
110.05965	2.3
110.07124	6.1
111.04470	1.7
111.08078	11.9
113.02365	3.7
117.07015	3.0
119.04905	1.5
119.08564	14.1
120.08065	2.2
121.06517	3.0
121.10113	19.3
122.06001	5.1
123.08047	3.8
123.11686	26.1
124.07539	2.4
127.03925	4.3
129.05455	100.0
130.08603	3.5
131.03397	2.3
131.08524	4.4
133.06384	1.9
133.10083	5.0
134.02687	1.9
135.08029	10.4
135.11697	2.5
136.07495	2.4
137.05952	4.6
137.09596	6.5
137.13222	3.5
138.05406	3.9
139.11198	2.3
140.07051	7.2
141.01833	13.1
145.04988	2.8
146.08044	2.6
147.04346	2.6
147.07967	4.0
147.11652	4.9
148.07516	5.1
149.09666	2.2
149.13206	2.6
150.05447	2.3
150.67061	1.6
151.07487	2.1
152.07019	4.4
153.09058	5.3
154.08572	2.1
157.10172	1.4
159.02835	3.4
161.05998	2.6
161.09525	2.3
162.05493	11.6
163.07416	1.6
164.06963	1.8
165.09042	3.1
165.12721	6.9
166.08589	1.9
167.14133	1.8
169.06496	2.9
171.11679	1.5
171.14882	3.8
173.13205	3.7
182.18954	2.0
182.72876	1.3
183.13750	11.9
183.19467	2.0
185.11679	3.5
191.03377	3.1
191.14276	4.1
194.88177	1.6
196.05190	1.8
197.05858	1.6
203.12706	5.4
207.04359	3.5
209.15308	5.8
211.07445	4.5
220.06296	5.2
225.10164	3.5
226.10997	5.3
239.06998	3.0
239.11760	12.9
257.13776	45.3
257.17395	25.8
261.12268	2.1
267.11240	5.6
272.10394	25.1
275.47778	1.8
281.12704	1.7
287.07480	3.6
287.13843	11.5
298.12146	6.1
298.28528	14.4
299.13864	6.1
299.28754	3.6
305.08618	45.6
308.02731	1.5
309.12091	2.6
327.13358	20.7
328.13776	1.9
385.15286	2.1
415.15607	3.7
432.23782	2.5
433.16980	14.2
443.83423	1.7
459.98129	1.9
468.21527	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	468.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.2
55.01861	22.2
55.05493	4.2
57.03429	14.5
65.48196	1.5
67.05486	5.9
68.05013	1.6
69.03409	5.7
69.07040	4.4
70.06586	12.3
70.17469	1.4
71.01338	2.9
71.04969	3.5
71.53999	1.6
72.08139	18.8
73.02552	1.4
73.02905	11.2
75.04440	2.2
79.05470	9.0
81.03384	5.6
81.07044	12.8
83.04972	3.2
83.08590	2.5
84.04490	2.6
84.08124	7.0
85.02888	19.2
85.06515	2.3
85.39256	1.4
86.06060	1.8
86.09669	5.0
87.00813	2.6
88.02191	2.3
91.05476	11.6
93.05481	3.1
93.07021	33.2
94.06537	3.6
95.01311	5.4
95.04929	6.7
95.08603	8.2
97.02875	7.6
97.06487	3.8
98.57890	1.5
99.04446	2.8
100.02160	1.8
100.07589	13.7
101.05982	1.9
103.03909	3.2
105.01844	1.8
105.07006	9.0
107.04916	1.5
107.08572	15.8
109.02821	3.4
109.06489	4.5
109.10110	6.6
110.05965	2.3
110.07124	6.1
111.04470	1.7
111.08078	11.9
113.02365	3.7
117.07015	3.0
119.04905	1.5
119.08564	14.1
120.08065	2.2
121.06517	3.0
121.10113	19.3
122.06001	5.1
123.08047	3.8
123.11686	26.1
124.07539	2.4
127.03925	4.3
129.05455	100.0
130.08603	3.5
131.03397	2.3
131.08524	4.4
133.06384	1.9
133.10083	5.0
134.02687	1.9
135.08029	10.4
135.11697	2.5
136.07495	2.4
137.05952	4.6
137.09596	6.5
137.13222	3.5
138.05406	3.9
139.11198	2.3
140.07051	7.2
141.01833	13.1
145.04988	2.8
146.08044	2.6
147.04346	2.6
147.07967	4.0
147.11652	4.9
148.07516	5.1
149.09666	2.2
149.13206	2.6
150.05447	2.3
150.67061	1.6
151.07487	2.1
152.07019	4.4
153.09058	5.3
154.08572	2.1
157.10172	1.4
159.02835	3.4
161.05998	2.6
161.09525	2.3
162.05493	11.6
163.07416	1.6
164.06963	1.8
165.09042	3.1
165.12721	6.9
166.08589	1.9
167.14133	1.8
169.06496	2.9
171.11679	1.5
171.14882	3.8
173.13205	3.7
182.18954	2.0
182.72876	1.3
183.13750	11.9
183.19467	2.0
185.11679	3.5
191.03377	3.1
191.14276	4.1
194.88177	1.6
196.05190	1.8
197.05858	1.6
203.12706	5.4
207.04359	3.5
209.15308	5.8
211.07445	4.5
220.06296	5.2
225.10164	3.5
226.10997	5.3
239.06998	3.0
239.11760	12.9
257.13776	45.3
257.17395	25.8
261.12268	2.1
267.11240	5.6
272.10394	25.1
275.47778	1.8
281.12704	1.7
287.07480	3.6
287.13843	11.5
298.12146	6.1
298.28528	14.4
299.13864	6.1
299.28754	3.6
305.08618	45.6
308.02731	1.5
309.12091	2.6
327.13358	20.7
328.13776	1.9
385.15286	2.1
415.15607	3.7
432.23782	2.5
433.16980	14.2
443.83423	1.7
459.98129	1.9
468.21527	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	468.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21580	1.2
53.03927	2.4
55.01857	2.6
57.03421	5.5
69.03408	3.5
70.06574	3.9
71.06898	3.0
72.08163	2.1
73.02917	2.4
75.04466	2.2
76.20497	1.3
79.05478	5.4
81.03394	3.6
81.07047	2.0
84.08109	3.8
85.02883	6.1
86.09662	1.9
91.05464	25.0
92.64017	1.3
93.05505	9.5
93.07023	22.2
95.01295	3.6
95.04947	1.5
95.08595	2.4
97.02908	1.8
103.03943	1.5
105.07008	7.3
107.08595	2.2
113.02326	2.1
117.07018	9.0
119.08561	100.0
121.10136	1.9
123.04374	1.6
129.06966	2.7
130.08623	2.8
135.08040	7.9
137.09550	6.4
140.07126	1.5
140.80714	1.3
141.01779	6.9
147.08015	51.8
165.09079	18.5
169.98526	1.3
221.11725	3.6
227.12785	2.3
239.12729	30.2
257.13766	10.5
277.01740	1.4
304.21619	1.4
306.09805	2.9
314.08325	1.4
326.80310	1.5
330.42636	1.6
415.15561	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	468.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.4
55.01865	7.1
55.05490	2.4
56.05017	2.1
57.03421	1.3
67.05495	7.4
69.03419	7.1
69.07055	2.0
69.73578	7.5
70.02949	2.6
70.06568	9.9
71.04955	3.7
72.04482	1.1
72.08125	4.2
73.02902	13.9
75.04454	1.2
79.05470	13.1
81.03384	3.1
81.07038	12.7
83.04962	1.1
84.04486	2.4
84.08128	9.3
85.02872	5.5
85.06531	1.6
86.09694	2.6
88.02206	2.1
88.03978	27.0
90.05530	3.3
91.05467	29.1
93.07024	58.6
95.04945	12.3
95.08585	24.6
97.02864	2.5
97.06508	2.1
98.21526	1.2
99.02708	1.1
99.04442	2.4
100.07569	1.2
103.05381	1.2
104.06200	1.2
105.00089	1.5
105.07018	13.6
107.04942	1.5
107.08569	17.8
109.02850	1.3
109.06480	2.7
109.10148	8.9
110.06001	1.5
110.07097	3.9
111.04485	1.1
111.08057	1.3
112.51738	1.1
115.03920	3.4
116.07050	1.9
117.06971	6.8
119.04813	1.0
119.08560	72.2
121.06528	2.8
121.10115	20.9
122.02710	17.5
122.05920	1.1
122.07304	1.1
123.04408	1.7
123.08037	5.0
123.11735	1.9
124.39629	1.0
125.04194	3.7
125.05932	1.0
125.09640	1.4
127.03862	2.8
127.05759	7.2
129.06981	3.7
129.10199	1.3
130.05003	1.5
130.08607	10.1
131.08548	1.7
132.01129	1.3
133.10089	9.1
135.08023	16.9
136.07500	1.9
137.05927	3.8
137.09581	8.5
145.04926	1.1
145.06421	1.3
145.10025	1.5
146.08063	1.4
147.04393	3.1
147.08014	30.5
149.09575	1.7
151.05666	2.7
151.11130	1.7
152.07036	1.2
153.07288	1.5
153.09064	11.4
154.04948	1.3
154.08577	1.6
165.09087	40.4
173.13191	3.7
179.05089	1.3
181.06758	2.3
183.08591	1.9
183.10141	18.5
188.03766	4.1
191.14256	3.0
197.06239	1.6
199.07867	5.3
206.04480	1.5
209.15320	9.0
217.08937	12.6
220.11845	6.9
223.07919	1.1
239.12677	3.6
242.83543	1.0
258.11398	1.4
269.08176	1.2
272.10394	1.5
286.11002	1.4
287.09415	6.5
289.84482	1.2
304.12067	100.0
306.13193	1.7
306.16260	2.5
322.13162	2.9
396.23715	1.4
397.15222	1.5
450.18167	1.9
468.21365	30.9
468.39423	2.5
469.21689	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	468.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.1
55.05512	3.0
56.05025	1.5
57.03428	3.3
67.05494	19.7
69.03415	3.6
69.07059	2.9
69.26678	8.8
69.27106	2.9
70.06580	8.0
72.08141	1.5
73.02915	1.1
79.05473	3.8
81.03410	3.5
81.07041	14.5
83.05018	1.2
84.04492	1.5
84.08134	2.5
85.02878	7.0
86.09694	5.1
88.02207	1.9
91.05460	5.0
93.07047	6.9
95.01318	3.0
95.04951	4.8
95.08595	10.3
97.02845	1.5
97.06516	2.0
99.04443	2.1
99.08080	2.4
101.05959	1.4
105.07014	3.3
107.08591	3.2
109.02859	1.8
109.06508	2.2
109.10140	64.4
110.06013	2.4
110.07119	1.7
111.04420	2.3
111.08066	1.4
113.02323	1.9
116.07076	4.2
117.07053	1.1
119.08543	5.3
120.08079	5.1
120.08857	1.4
121.10135	3.2
122.06035	3.9
123.04424	4.2
123.08057	2.1
124.03963	7.1
124.04757	1.7
125.05973	5.3
126.05451	1.6
127.03896	3.1
130.08618	2.0
131.08571	1.5
132.10159	1.5
133.10085	2.2
134.06015	1.1
135.08005	2.2
136.07506	1.1
137.05972	2.2
137.09595	85.2
138.05534	1.5
138.10011	1.4
140.07019	9.0
141.01837	7.1
142.14273	1.1
145.10094	1.5
146.05920	1.4
147.08009	1.7
148.07529	7.8
150.07727	3.2
153.01855	2.4
153.09116	2.1
154.02231	1.4
155.10666	15.3
159.02930	1.6
159.11674	1.5
161.05984	1.8
161.13257	1.2
163.11050	1.3
165.09090	37.1
166.07280	2.8
183.10194	5.7
184.07378	1.2
201.11174	15.7
201.12819	1.4
209.80145	1.1
218.36562	1.1
225.10242	3.2
226.11040	4.5
236.10576	1.7
239.12830	60.7
240.12799	1.8
250.07115	1.8
257.13803	100.0
261.12277	2.0
267.11203	8.3
268.07828	1.4
272.10297	2.4
275.14841	10.2
281.12637	1.9
286.09180	2.6
287.13852	14.6
299.13745	6.5
303.04910	2.5
304.05283	4.2
307.13007	1.6
309.12436	1.9
313.03360	3.4
314.03693	5.4
327.13275	20.1
374.06006	1.8
408.07849	3.3
415.15823	2.0
420.19312	1.2
433.17010	5.1
468.10196	4.3
468.21567	12.1
468.28000	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	468.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	3.7
55.01863	5.9
55.05499	2.6
57.03422	3.9
58.99569	2.0
65.03932	1.7
67.05492	9.2
69.03429	5.9
69.07068	2.1
69.58475	7.4
69.58888	1.9
70.02939	1.5
70.06583	8.3
71.04978	2.9
72.08131	2.4
73.02911	13.8
75.04453	3.5
79.05486	12.3
81.03390	3.7
81.07050	11.7
83.04943	1.6
83.44714	1.5
83.69741	1.2
84.04466	3.1
84.08153	7.5
85.02888	9.2
86.06046	1.4
88.03976	28.5
90.05498	2.3
91.05471	34.0
93.03371	1.4
93.05492	4.6
93.07031	71.3
95.01308	2.4
95.04980	5.9
95.08592	20.7
97.02855	3.4
97.06467	2.2
98.20761	2.4
99.04436	1.4
100.07597	1.8
103.05463	2.3
105.07030	12.5
106.45415	1.2
107.04942	4.1
107.08568	16.9
109.06522	2.1
109.10152	4.5
110.07123	3.2
110.67949	1.1
111.02589	1.4
111.04424	2.1
115.03899	2.9
116.07066	2.2
117.07011	8.9
119.04909	1.4
119.08566	100.0
120.08068	2.2
121.02840	1.4
121.10124	22.0
122.02713	19.4
122.06036	1.4
123.04408	2.0
123.08038	2.6
125.04197	3.2
127.03836	2.0
127.05791	6.2
129.06979	3.6
129.10233	1.9
130.04985	1.4
130.08586	6.0
135.08017	15.8
136.07495	1.8
137.05984	3.9
137.09567	7.9
141.01802	3.9
143.08556	1.7
145.06441	1.5
147.04338	2.5
147.08025	48.1
149.09589	4.5
151.05760	2.4
153.09068	8.3
165.09094	42.9
167.10660	2.6
172.09741	1.2
177.05388	1.3
181.06804	2.7
183.10100	13.8
197.06186	2.7
199.07797	5.8
206.04390	1.4
215.07153	1.5
217.08868	10.5
220.11746	5.1
221.11766	1.4
239.12759	14.7
257.13870	3.2
272.10638	2.2
286.11099	1.6
287.09457	4.6
288.12610	7.7
304.12082	88.2
305.12457	1.7
306.13525	1.4
322.13040	2.6
347.97507	1.3
415.15836	1.6
441.91605	1.5
468.18771	4.6
468.40128	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	468.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45655	0.9
53.03927	0.9
53.50785	0.9
55.01850	1.1
57.03430	8.2
60.04501	0.8
61.02909	5.4
69.03416	26.8
69.89655	5.2
71.01338	1.7
71.04964	0.9
73.02905	32.1
81.03394	3.6
84.04485	18.5
85.02879	8.4
87.04470	1.4
96.04477	11.3
97.02875	36.3
98.06051	5.9
98.20800	1.1
99.04443	3.1
103.03924	1.2
109.02863	3.1
111.04467	0.9
113.15129	0.7
115.03904	20.6
126.04565	2.0
126.05492	39.6
127.03866	2.1
133.04941	7.9
138.05473	90.3
139.05795	1.2
143.03355	2.6
144.06529	14.8
165.05376	1.0
168.06528	27.8
186.07585	22.5
204.08633	100.0
205.08978	1.7
211.05986	13.4
229.07051	1.8
247.08188	1.7
336.12811	8.9
468.11215	1.3
468.16983	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	467.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39300	0.6
55.05499	4.8
57.03178	0.8
57.03428	8.6
57.07066	31.1
67.05495	8.8
69.07053	4.7
70.57013	0.6
71.08620	20.6
79.05463	1.7
81.07040	12.0
83.08597	7.4
85.06521	0.8
85.10168	10.6
88.10123	0.5
89.06003	1.1
91.05467	0.8
93.07046	1.3
95.08591	15.3
97.10163	3.2
98.20776	1.1
98.21423	1.6
98.98447	35.7
99.11684	0.7
103.07635	0.6
107.08549	1.0
109.10136	7.7
112.99980	1.3
116.99496	1.1
119.08472	0.7
122.02399	0.7
123.11691	3.2
133.10069	0.7
135.11658	0.9
136.99960	2.4
137.13200	1.0
155.01012	44.3
186.95586	0.6
190.91127	0.6
193.02589	0.8
211.03636	2.0
228.20416	1.4
229.04657	1.6
239.23676	4.4
261.22015	1.4
313.27301	100.0
314.27628	1.8
338.27585	3.7
393.24048	3.4
449.26526	17.3
467.16998	2.3
467.33139	1.4
468.17157	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
55.01863	0.3
55.05489	0.2
65.03919	1.2
67.01859	0.2
67.05486	0.4
68.99768	0.9
69.03407	0.3
69.07066	0.3
70.06576	0.3
77.03904	0.3
79.05473	0.4
79.13184	0.2
81.03400	0.3
81.07033	0.6
84.08121	0.2
85.02890	0.3
86.09679	0.2
91.05463	7.5
92.02605	2.4
93.03388	2.8
93.07021	1.0
95.04949	18.5
95.08596	0.3
96.05335	0.2
98.20674	0.4
100.00411	0.2
100.11253	0.3
103.05444	1.9
105.04539	0.3
105.07028	0.4
107.04935	6.5
107.08588	0.2
109.02833	0.5
109.06487	1.0
109.10145	0.3
111.00768	0.8
111.04415	0.3
117.66899	0.2
118.74712	0.2
119.04919	23.8
120.05724	0.5
120.39417	0.2
121.02847	3.2
121.06506	1.6
123.04404	35.4
124.04774	0.4
126.03071	0.8
127.03862	0.5
131.08531	0.2
133.10129	0.3
135.04355	0.3
137.02306	3.0
137.05945	0.8
147.04381	12.8
148.04710	0.3
149.02350	0.4
152.01060	0.2
153.01797	17.9
155.04892	0.2
159.11743	0.2
161.02339	0.3
161.05966	0.5
163.03899	0.7
165.01808	2.4
165.05446	8.4
166.02567	0.5
172.05089	0.3
173.05986	0.5
177.05428	0.4
179.03398	0.5
181.06462	0.2
183.02977	0.8
183.04346	0.3
187.03926	0.4
189.05376	0.4
191.03363	0.8
195.02808	0.3
200.04613	0.5
201.05469	1.9
203.03329	1.7
204.04225	0.2
205.05005	0.2
213.05519	0.2
217.04935	3.9
218.05711	1.1
219.02867	0.6
219.06543	0.4
221.04242	0.2
228.04131	3.1
229.04924	5.9
231.02750	0.9
232.03613	0.3
239.06967	0.4
241.04991	0.2
245.04391	4.8
245.06691	0.4
246.05196	2.6
247.05988	0.8
256.03662	0.4
257.04404	3.3
258.04962	0.3
259.05951	0.3
260.03210	0.8
269.04330	0.2
271.06143	0.2
273.03888	4.4
274.04672	5.9
275.05396	0.6
284.03113	0.7
285.03848	2.7
286.04669	0.4
287.02142	0.2
287.05429	0.4
301.03397	6.4
302.04147	22.0
303.04926	62.5
304.05237	1.4
315.04959	1.0
327.04898	4.4
327.08633	0.3
342.03470	0.3
343.04361	1.5
343.07996	0.3
361.05597	0.5
421.09125	5.2
449.08722	1.1
467.09647	100.0
468.09909	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	466.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	2.7
56.34629	1.0
57.03423	5.3
57.07066	100.0
59.04992	87.8
59.22213	0.9
67.05501	1.8
69.07050	2.5
71.08620	96.1
71.24773	1.6
72.08971	1.6
81.07034	1.2
83.08606	5.5
85.10169	90.6
87.08054	1.0
97.10167	1.6
99.11721	14.5
101.05995	2.0
101.09637	5.6
103.03107	1.1
103.07569	3.6
115.07506	1.5
117.09109	33.0
125.18164	1.2
133.10110	1.8
141.16348	11.4
142.64037	1.3
155.17871	1.5
159.13809	1.3
161.11795	1.2
162.83585	0.9
165.44804	1.0
175.13246	6.9
193.14359	1.7
199.20537	28.2
213.22093	2.6
233.17416	2.7
240.23273	4.3
251.18663	1.3
257.24701	38.6
258.42557	1.1
271.26315	1.9
315.28934	2.2
342.95233	1.1
372.30045	1.0
377.23801	1.1
436.11862	1.2
449.38297	15.8
467.37106	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	466.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81576	0.7
55.05498	2.2
57.03425	4.1
57.07066	100.0
59.04993	60.4
59.05274	1.2
67.05489	2.0
69.07047	3.0
69.29420	6.1
69.29845	2.1
71.08621	80.0
81.07030	1.9
83.08606	2.9
85.10169	60.6
89.06039	1.0
93.07030	0.8
95.08569	1.5
97.10137	3.1
98.05962	0.8
98.21539	1.4
99.08085	1.0
99.11715	15.0
101.05990	3.2
101.09637	3.9
103.07560	5.3
109.10095	1.6
111.11662	1.3
113.13267	4.8
115.07503	1.1
117.09116	19.4
121.10098	0.8
141.16364	2.8
155.17918	11.2
158.11702	0.9
161.11717	4.3
175.13272	2.3
179.12769	1.5
199.20509	2.1
213.22089	21.1
213.24016	1.7
219.15877	1.6
237.16881	1.5
254.24838	2.4
257.24698	1.3
271.26276	19.2
308.20609	1.0
329.30621	2.0
358.16257	1.0
367.63028	0.8
443.55682	0.9
449.38306	11.1
466.40518	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0206
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96534	0.3
62.04601	0.2
66.95206	0.2
71.54747	0.3
95.26427	0.2
98.97533	0.2
110.25404	0.2
116.98546	0.4
134.99747	0.4
153.25792	0.2
177.00899	0.4
180.96767	0.3
182.99988	0.4
197.42215	0.2
216.98828	1.0
219.01907	0.3
222.98033	0.9
234.99936	6.8
235.99969	0.5
240.98936	1.7
253.01033	2.1
258.99945	23.7
259.99985	2.6
261.00134	0.5
261.03018	1.2
262.02982	0.4
264.98706	3.0
273.98657	0.7
277.00992	28.5
278.01117	2.8
279.01071	0.6
282.99921	49.2
284.00003	5.0
284.99869	0.7
291.99744	0.6
295.02032	0.5
300.02512	0.5
301.00980	100.0
302.01093	9.9
303.01086	1.4
316.98990	0.4
319.01987	6.6
320.02213	0.9
322.98038	0.2
324.02588	2.7
325.02637	0.5
343.02008	0.6
358.99939	0.6
360.00034	0.3
364.99103	0.9
383.00412	0.3
401.01172	3.9
402.01141	0.9
403.00787	0.4
405.03000	0.2
406.99893	4.9
408.00275	0.9
421.36737	0.3
425.01050	25.6
426.01187	4.4
427.00900	0.5
443.02127	91.4
444.02286	13.0
445.02338	1.4
445.50171	0.5
446.00266	0.6
446.50378	0.4
454.51080	0.3
455.00473	0.7
461.03232	0.8
466.03781	5.2
467.03043	0.9
485.02789	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	1.6
57.03425	1.1
57.07067	100.0
59.04992	30.9
69.07053	3.2
69.17454	1.7
69.17854	9.8
71.08620	83.3
73.02906	31.8
83.08604	2.2
83.24545	0.8
85.10168	70.4
87.04456	2.1
89.06014	3.4
94.69296	0.9
97.10157	2.4
99.08105	0.9
99.11718	14.7
99.34460	0.8
101.05988	1.3
101.09637	2.7
103.07603	1.4
109.10092	0.8
111.11708	1.1
113.13267	5.6
117.05501	1.4
117.09127	12.5
127.14257	0.9
133.08569	2.5
141.16302	2.1
151.09624	1.4
155.17912	11.5
158.11780	1.0
172.52756	0.9
175.09778	0.8
177.63176	0.8
179.09106	1.9
187.67340	0.8
199.20538	1.8
209.13799	1.4
213.22090	21.3
213.70210	0.9
219.12247	2.1
237.13330	2.6
254.24699	1.8
257.24780	3.5
271.26288	12.3
277.16229	0.9
421.35098	2.6
466.36832	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03983	1.3
55.05493	2.7
57.03428	2.2
57.07066	100.0
57.81797	1.4
59.04715	2.5
59.04990	39.5
67.05488	2.3
69.07057	3.1
69.58704	7.5
71.08620	79.8
81.07040	2.9
83.08595	4.2
84.04502	1.7
84.08132	8.4
85.10167	72.4
85.64966	1.4
87.04459	15.3
89.05991	4.7
93.07047	1.8
94.63595	1.6
95.08579	2.1
97.10128	4.3
99.11725	12.2
101.05990	1.8
101.09629	3.1
103.03926	17.1
107.08541	1.8
111.50652	1.7
113.13268	4.3
117.05472	3.1
117.09121	12.4
119.08569	1.8
121.04941	2.2
130.08632	10.5
131.07024	1.5
131.08940	4.0
133.08601	2.6
141.16347	3.1
155.17914	8.0
161.08043	2.5
171.28712	1.2
179.09018	1.7
193.10693	1.7
199.20518	6.8
213.22115	12.2
219.12175	2.8
237.13254	3.0
239.14804	1.8
254.24669	1.6
257.24707	6.2
271.26358	7.4
363.30948	1.7
400.49496	1.7
431.33508	2.3
467.36896	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	466.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.8
55.01848	1.5
55.05508	5.5
57.03424	4.6
57.07052	1.0
59.04996	0.6
61.02905	2.5
65.04252	0.6
67.05129	1.0
67.05490	19.8
69.03406	3.0
69.07057	7.5
70.06559	2.4
71.01338	0.7
71.04961	2.4
71.52103	0.8
71.52485	1.0
73.02897	3.3
74.79700	0.6
78.46736	0.7
79.05486	13.7
80.05803	0.8
81.03387	1.4
81.07043	53.0
83.04955	2.6
83.08610	5.2
84.04497	1.2
84.08136	1.8
85.02895	4.6
85.06527	2.0
86.09677	1.2
91.03928	1.3
91.05473	6.8
93.07029	22.9
95.04929	3.1
95.08598	12.2
97.02875	4.2
97.06519	3.8
99.04436	1.5
99.08064	1.7
105.07029	3.8
107.04931	1.1
107.08572	12.5
109.02831	1.4
109.06473	2.4
109.10125	2.3
111.04437	0.9
111.08057	2.8
115.03932	1.5
117.06995	3.6
119.08553	2.6
120.08089	1.0
121.06482	1.6
121.10135	7.6
123.04363	1.0
123.07975	0.8
123.11670	1.8
124.03939	2.0
127.03887	2.9
131.08539	4.6
133.04962	0.9
133.10103	3.6
135.07999	1.2
135.11673	4.4
136.06152	1.8
136.07529	1.1
137.05942	1.6
137.13232	5.3
145.04916	2.1
145.10045	2.4
147.11662	1.8
149.13235	15.7
157.10158	1.4
159.11658	7.5
162.05516	0.9
162.07529	1.3
163.11168	0.9
164.06975	0.9
177.12744	2.7
179.22005	0.7
181.12308	0.8
191.03482	0.8
195.13780	4.9
257.19003	0.8
269.17435	100.0
270.17819	2.9
303.04886	1.9
304.05313	4.1
304.14166	0.8
431.22766	1.1
466.19470	1.6
467.09604	1.5
467.22754	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54878	0.8
53.03926	1.8
55.01857	2.5
55.05495	2.3
57.03426	4.4
57.07052	2.6
61.02917	2.8
65.03921	1.0
65.36880	0.8
67.05495	7.1
69.03421	8.7
69.07058	6.9
70.06564	2.7
71.04980	1.4
71.55334	1.0
72.08144	1.5
73.02908	17.8
74.60139	0.9
79.05485	8.3
81.03400	2.6
81.07043	100.0
82.07375	1.1
83.04951	2.2
83.08600	1.9
84.04468	1.9
84.08118	1.9
85.02416	1.7
85.02893	22.1
85.03397	0.9
85.06521	1.9
86.09708	1.5
87.04429	1.7
91.05459	4.2
93.07025	6.3
95.04955	1.8
95.08590	20.9
97.02876	16.3
99.04406	1.9
103.03893	0.9
105.07008	3.9
107.08558	3.6
109.02876	3.0
109.06471	1.0
109.10141	3.4
112.01484	0.8
113.07685	0.8
115.03912	9.0
117.07026	0.9
119.08556	2.8
120.08106	1.1
120.08948	1.1
121.10128	3.3
122.10529	1.0
123.11700	1.6
125.13212	0.9
127.03893	9.0
129.06927	0.9
131.08563	2.1
133.04926	12.3
133.10112	2.3
135.08005	1.2
135.11617	2.0
136.06165	1.9
137.02376	0.9
137.05893	1.1
137.13232	21.1
141.89093	0.9
145.04938	15.0
145.10030	1.5
147.11655	2.2
149.13214	1.4
150.07555	1.4
155.08545	1.2
159.11674	3.2
162.07591	3.2
163.03886	0.9
163.05978	5.9
165.09062	1.3
177.12659	1.0
195.13635	1.2
201.16321	1.5
223.05981	2.8
241.07011	3.3
259.08005	7.2
269.17419	3.6
277.09052	1.6
285.16898	3.0
295.10092	3.7
303.04718	1.7
304.05222	2.9
466.19049	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3721
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56383	1.0
53.03928	2.3
54.09237	1.1
55.05502	16.1
57.07067	16.8
59.04992	7.4
67.05175	1.6
67.05496	24.5
69.03430	1.1
69.07053	16.7
69.20758	10.4
69.21163	2.1
71.04971	2.7
71.08617	12.9
72.08932	1.3
72.31630	1.2
79.05479	18.4
81.07040	79.4
83.04948	2.3
83.08614	9.1
85.06532	13.4
85.10178	9.9
86.10487	1.9
91.05454	14.5
93.07027	42.8
95.04949	1.5
95.08589	54.2
97.06521	2.4
97.10143	7.1
98.20760	2.0
99.04455	8.9
99.11718	2.9
100.06966	1.4
101.06016	6.7
105.06294	1.6
105.07009	40.5
107.08575	64.2
109.06494	5.0
109.10139	33.0
109.10709	0.8
113.13308	1.3
117.06994	5.1
117.09106	3.5
119.08562	49.2
121.10126	44.3
123.08039	3.2
123.11706	15.2
127.03605	1.0
127.07549	8.5
129.06999	2.0
131.08537	15.4
133.10104	27.1
135.11659	24.1
137.09612	2.0
137.13248	3.9
142.07768	2.8
143.08530	5.5
144.09302	1.7
145.10092	27.6
147.11659	26.0
149.09589	4.3
149.13231	32.3
151.11157	1.5
151.14749	2.0
153.09041	2.0
155.17963	1.2
156.09259	1.9
157.10085	12.7
159.11659	34.7
160.12146	1.2
161.09607	1.2
161.13228	23.5
163.14792	15.5
167.10660	7.5
169.10094	3.1
171.11650	10.3
173.13246	20.2
175.11186	3.0
175.14789	13.2
177.12688	2.4
177.16350	3.6
181.12273	1.3
183.11731	1.7
185.13261	9.2
187.14775	16.7
189.12663	2.0
189.16333	11.2
191.17905	3.5
193.12239	5.3
195.13751	4.6
197.13266	2.0
199.14774	7.4
201.16333	11.9
203.17905	10.2
205.12221	2.6
207.13725	3.6
211.14861	2.7
213.16347	14.4
214.17010	1.3
215.17928	15.5
217.19482	13.6
219.13802	1.5
221.15213	2.7
225.16267	2.9
227.17912	12.4
229.19537	7.3
231.21043	5.2
233.15334	2.9
235.16937	4.9
237.18556	2.0
239.17973	1.6
241.19525	4.3
243.21027	4.4
247.16885	2.0
249.18506	4.1
255.21115	5.6
257.22592	16.2
258.25272	1.2
259.24255	2.3
261.18466	3.4
267.21106	1.4
269.22592	1.8
271.24063	2.0
271.26587	1.6
273.18399	1.4
275.19843	3.0
281.22595	2.6
283.24094	5.4
295.24017	2.5
297.25656	2.6
301.21631	1.7
315.22916	2.6
325.28873	2.8
337.28836	2.3
341.24738	2.6
351.30502	5.7
355.26248	5.2
369.27734	3.3
383.29514	2.2
409.31064	1.5
447.37018	1.2
449.38406	1.3
452.22449	1.2
459.18112	1.2
465.37195	100.0
466.37375	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	465.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75741	0.9
53.03953	4.6
55.01858	3.0
55.05489	3.8
57.03416	4.1
57.07069	1.9
57.47464	0.7
59.04989	1.2
61.02890	1.1
64.21862	0.9
65.03926	2.0
67.05498	6.2
69.03042	1.4
69.03418	24.5
69.07076	4.7
70.06555	1.2
71.04965	2.6
71.52479	1.6
72.08118	1.0
75.04473	6.6
77.03878	1.4
79.05073	1.2
79.05484	16.1
81.03405	5.0
81.07040	12.2
83.04955	1.6
83.08602	1.4
84.08140	1.1
85.02898	6.3
86.83541	0.9
91.04893	1.5
91.05466	24.6
93.07028	100.0
94.07333	1.8
95.04954	10.9
95.08605	11.0
97.02879	48.0
97.06509	2.8
99.04452	3.0
100.07588	1.2
103.05457	1.9
105.01866	1.1
105.04462	1.5
105.07018	12.7
107.04932	1.2
107.08563	9.9
109.06474	2.7
109.10125	2.7
111.04426	2.4
111.07338	1.5
111.08062	11.3
111.11697	2.8
115.03922	1.2
116.06210	1.6
117.06994	3.8
119.08565	50.5
120.08914	1.2
121.06487	6.3
121.10126	65.0
122.10445	1.3
123.08044	4.0
123.11665	2.5
125.05957	1.1
125.09588	1.2
127.03951	1.4
128.06223	1.7
129.06982	2.6
129.12727	3.7
131.04939	1.5
131.08549	8.7
133.06451	1.2
133.10091	4.2
135.08047	2.4
137.05974	3.4
137.09587	1.2
139.11156	3.6
143.08556	4.8
145.06474	2.5
145.10129	2.6
147.08038	6.7
147.11618	1.5
149.05927	2.9
149.09605	17.8
151.07500	1.0
153.09077	1.1
155.08540	1.2
157.10086	2.8
159.08020	2.1
159.11714	1.0
161.09590	4.0
165.09106	1.8
167.07050	1.8
167.10638	4.9
169.04991	1.8
169.06361	1.1
170.25302	1.1
171.07974	1.4
171.11674	3.4
173.09615	2.1
175.11151	2.2
181.10106	2.3
185.09624	1.2
189.12698	1.7
193.08598	1.5
199.11201	5.3
200.93402	1.0
201.09056	1.2
201.12662	1.2
203.10686	1.7
205.01195	0.9
217.10246	1.1
217.12175	4.1
227.10727	3.1
245.11716	5.9
257.04486	3.0
263.12726	5.8
281.13812	3.6
303.04922	13.0
304.05240	1.0
447.23557	1.1
465.11642	2.9
465.30893	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83252	0.7
55.01847	1.1
55.05501	5.4
57.03421	5.3
57.07046	0.7
58.15611	0.5
58.97820	0.6
61.02890	2.6
67.05492	13.6
69.03396	1.6
69.07055	7.5
70.06551	2.1
70.21481	2.9
70.28465	0.7
71.04977	2.9
73.02882	1.3
73.06519	0.7
73.66206	0.6
79.05049	0.8
79.05473	8.2
81.03365	2.0
81.07035	38.6
83.04971	3.5
83.08601	3.9
84.08095	1.1
85.02890	4.0
85.06533	3.4
86.09651	1.7
87.04494	0.6
91.03937	1.0
91.05453	11.5
93.01443	0.6
93.06468	0.7
93.07018	8.1
95.04925	1.8
95.08585	11.4
97.02840	2.4
97.06500	3.7
98.21449	0.9
99.04445	0.8
99.08064	2.9
101.05981	1.0
105.07004	17.9
107.08558	8.9
109.02821	4.2
109.06506	3.7
109.10104	2.2
110.07137	0.7
111.04393	0.9
111.08054	1.3
111.70622	0.7
113.05974	1.1
119.08549	14.9
120.08080	0.6
121.10123	11.4
123.08028	2.7
123.11675	18.1
127.03877	2.2
127.07487	1.7
129.06963	1.7
129.09026	0.7
131.08543	1.4
133.10104	4.0
135.08098	0.7
135.11652	1.4
136.06148	0.6
137.05952	1.1
137.09584	0.9
137.13226	1.6
141.09094	0.8
145.04941	0.8
145.10051	1.4
147.04425	0.8
147.11652	39.3
149.05971	0.7
149.09563	1.0
157.10078	2.1
158.04729	0.6
159.11644	1.3
162.05476	1.3
162.07512	1.2
163.11107	1.1
165.12711	18.8
169.10187	0.8
171.11650	1.3
173.09650	0.8
175.11099	2.5
177.05428	0.9
178.05022	0.8
183.13754	2.7
193.12230	1.1
199.16963	0.7
201.05278	0.9
206.04439	2.1
216.07570	3.9
217.08340	3.9
219.40608	0.6
221.15108	0.7
223.16899	1.0
229.04961	1.2
229.14262	8.3
267.15848	32.6
268.16287	0.9
271.04163	0.7
272.95746	0.6
285.16898	100.0
286.17233	1.2
287.05640	0.8
287.51068	0.6
291.27692	0.7
303.04855	9.0
304.05325	1.7
315.04944	2.1
315.09631	1.0
340.09924	0.9
379.13589	2.0
421.14606	10.5
422.14771	1.2
447.22308	4.8
465.13559	40.3
465.20755	2.5
465.29883	1.9
465.39212	0.7
466.13907	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	465.1021
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
53.03925	0.6
54.49308	0.2
55.01845	0.8
55.05486	0.7
57.03429	1.6
59.04980	0.2
61.02914	2.1
65.03922	0.4
67.05492	1.4
68.99761	0.7
69.03416	6.5
69.07050	0.6
69.37403	1.8
70.06583	1.5
71.01325	0.3
71.04961	1.1
72.08124	0.5
73.02898	2.2
74.09740	0.2
75.36488	0.2
79.05479	1.2
81.03398	2.7
81.07040	2.8
83.01299	0.4
83.04951	0.5
83.08597	0.3
84.08106	0.8
85.02886	15.8
85.06503	0.7
86.09679	0.8
87.04456	1.3
88.02197	0.3
88.03959	0.2
91.03923	0.9
91.05467	1.0
93.03374	0.3
93.07022	2.1
95.04946	0.8
95.08589	1.7
97.02872	4.8
97.06523	0.4
97.10160	0.2
98.78168	0.2
99.04423	1.5
99.08092	0.2
101.02354	0.5
103.03909	0.7
103.05385	0.2
105.07018	1.5
107.04931	0.5
107.08578	1.3
109.02869	2.5
109.06473	0.5
109.10120	1.1
109.27053	0.2
110.06001	0.3
111.00787	1.0
111.04399	0.2
111.08029	0.5
115.03898	0.5
116.07065	0.2
117.06997	0.4
119.04914	0.4
119.08541	1.3
120.08096	0.4
121.02832	1.4
121.06466	0.6
121.10126	1.2
122.02711	0.2
123.04399	0.6
123.11713	0.4
124.07551	0.7
127.03882	4.6
128.01811	0.2
128.72305	0.2
129.06973	0.3
130.08595	0.3
131.08524	0.8
133.06525	0.2
133.10077	0.7
135.04330	0.3
135.07979	0.4
135.11655	0.5
137.02315	3.8
137.05916	1.1
137.09581	0.3
143.08514	0.3
145.04916	2.3
145.06439	0.4
145.10085	0.8
146.05931	0.3
147.04424	0.4
147.11650	0.4
149.02298	0.5
149.09546	0.4
149.13371	0.2
151.03847	0.3
151.07510	0.2
151.11113	0.2
153.01791	5.1
155.04942	0.3
157.10085	0.5
159.11623	0.6
161.05936	0.4
161.09489	0.3
161.13268	0.3
163.03868	0.6
163.07466	0.2
163.11140	0.4
164.07028	0.2
165.01782	2.2
166.02551	0.3
167.06941	0.3
167.08511	0.2
167.10585	0.2
169.10100	0.2
171.11641	0.2
173.05931	0.4
177.05403	0.4
179.10590	0.2
181.12227	0.3
183.02863	1.0
183.04388	0.4
185.13075	0.2
187.03961	0.4
187.11169	0.6
191.03305	0.3
199.14752	0.3
199.16853	0.3
201.05389	1.8
201.16351	0.4
202.00246	0.2
203.17912	0.3
213.92108	0.2
215.10580	0.3
217.05032	0.2
217.08530	0.3
219.06493	0.4
219.17184	0.2
228.04268	0.3
229.04913	4.4
244.09653	0.2
245.04388	0.3
245.07848	0.3
247.05978	0.7
257.04364	3.2
267.19571	0.3
273.03735	0.4
274.04764	0.9
275.05328	0.3
285.03864	1.8
285.12500	0.2
286.04715	0.4
289.14319	0.2
301.03403	0.4
302.04135	1.1
303.04913	100.0
304.05301	1.8
310.07251	0.4
315.04831	0.4
324.08438	0.2
327.05014	0.4
337.11740	0.2
345.05893	1.4
357.05884	0.3
371.03970	0.3
380.16245	0.3
419.07321	0.3
465.10245	3.0
465.16562	0.3
465.23074	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1015
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
52.32502	0.3
53.03927	0.7
55.01856	0.5
57.03411	1.0
61.02903	1.5
64.78054	0.3
68.99771	0.7
69.03430	3.1
69.24434	2.9
69.24848	1.0
73.02884	0.5
81.03397	2.3
85.02886	10.1
87.04434	0.5
91.03934	0.7
95.04970	0.3
97.02872	3.5
99.04414	0.4
106.70222	0.3
108.18398	0.4
109.02840	1.2
111.00786	1.3
118.23695	0.3
121.02847	0.7
127.03047	0.3
127.03888	1.8
135.90538	0.3
137.02303	3.6
137.21722	0.3
145.04935	2.1
150.29774	0.3
153.01781	4.4
161.05902	0.4
163.03920	0.6
165.01813	2.4
172.75192	0.4
183.02762	0.6
191.07043	0.6
195.44196	0.3
201.05403	1.8
229.04906	4.3
247.06168	0.4
257.04428	2.4
274.04721	0.5
285.03900	1.4
303.04916	100.0
304.05313	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70631	2.1
55.05493	10.3
57.03419	5.7
57.07067	100.0
59.04991	48.0
65.95933	2.3
66.68899	2.3
66.72057	2.3
67.05488	5.7
69.07045	9.6
70.83720	2.6
70.84061	7.0
71.08225	5.4
71.08618	99.9
75.04498	3.2
79.05485	3.9
81.07043	14.3
83.04929	3.0
83.08608	7.4
85.10168	89.7
86.49474	2.3
91.05470	13.3
91.38249	2.3
93.07024	9.8
93.89601	2.2
95.08585	8.9
97.06503	6.2
97.10142	3.2
97.32983	2.7
99.11694	7.3
101.06018	5.8
101.09657	5.7
105.07001	4.1
107.08587	7.9
109.10139	8.0
115.07542	35.1
117.09117	15.3
119.08567	6.5
121.10117	6.2
123.11684	2.1
133.10106	4.1
135.11676	6.2
138.17679	2.7
141.16345	10.0
145.10164	4.4
147.11603	3.2
149.13281	4.8
159.11699	5.0
171.13789	10.7
173.11798	3.5
173.13255	4.6
199.20528	23.2
213.22189	3.7
240.23100	3.9
257.24707	30.1
303.04843	5.0
315.04575	2.3
315.29053	2.7
390.99039	3.1
412.72519	2.6
450.57230	2.7
464.39276	13.2
465.36829	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	465.102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.3
55.01826	0.3
57.03418	0.6
59.48049	0.3
61.02918	7.2
65.10011	0.3
68.99792	0.5
69.03413	1.5
69.98652	1.3
71.04968	0.9
73.02908	2.6
74.28593	0.3
81.03386	0.6
85.02893	7.5
91.03941	3.9
93.03378	0.4
97.02877	3.3
98.20801	0.3
98.66175	0.3
99.04483	0.4
104.53778	0.3
109.02847	0.9
111.00802	0.7
118.88966	0.3
121.02821	0.8
127.03925	1.4
136.19714	0.3
137.02332	3.3
137.03331	0.6
145.04909	0.5
147.22336	0.3
149.02313	0.5
153.01804	4.6
163.03877	0.6
165.01805	2.4
173.05913	0.7
183.02881	1.3
201.05388	1.8
208.90903	0.4
219.06549	0.4
229.04935	5.3
247.06009	0.9
257.04398	3.4
274.04736	0.8
285.03900	1.2
303.04932	100.0
304.05252	1.7
319.04468	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	464.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.4
55.01852	1.1
55.05487	2.5
57.03424	0.8
57.07061	2.1
57.48814	0.3
67.05480	1.6
69.03410	2.3
69.07045	1.5
70.06561	0.6
70.98907	0.8
71.04950	0.6
73.02888	0.5
79.05468	1.0
81.03405	2.7
81.07034	2.5
83.04951	2.3
83.20632	0.3
84.08121	0.6
85.02890	4.7
85.06523	1.4
86.09669	0.4
87.00812	2.3
89.05979	0.4
91.05467	0.9
93.07011	3.5
95.04950	0.8
95.08591	3.7
96.08884	0.4
97.02874	2.9
97.06503	1.2
99.04431	1.0
105.01849	3.0
105.07023	1.3
107.04898	0.6
107.08574	5.1
109.02867	3.9
109.06479	1.2
109.10139	1.9
111.04420	24.7
111.08038	1.2
113.06007	0.4
117.06950	0.4
119.08528	0.6
121.06471	0.8
121.10130	1.4
123.08012	0.5
123.11667	0.5
125.05969	8.1
125.09570	0.5
126.26287	0.4
127.03873	4.4
127.07536	0.8
133.10063	0.7
135.08051	4.1
135.11674	5.5
137.05933	1.0
137.13239	0.9
139.07520	1.4
143.41782	0.3
145.04915	1.3
145.10104	5.3
147.04381	0.3
153.12743	2.1
159.02847	0.4
162.07596	0.3
163.07555	0.4
163.11142	8.3
181.12193	100.0
182.12547	1.3
199.13275	9.5
213.03883	0.6
231.04930	1.9
241.63693	0.4
242.79533	0.3
249.05978	0.4
253.20335	0.4
262.98010	0.4
303.04868	3.0
315.05002	0.4
464.18185	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
55.01860	10.6
55.05499	0.8
57.03421	0.4
58.19450	0.1
67.05495	0.7
69.03411	2.1
69.07057	1.3
70.06564	0.6
71.04963	0.6
71.23364	0.2
71.23717	0.3
72.08120	0.2
73.02903	1.8
79.05476	0.6
81.03401	4.6
81.03852	0.4
81.07054	0.9
84.08135	0.6
85.02892	2.4
86.09701	0.7
87.04482	0.2
88.02164	0.3
88.03921	0.2
90.73244	0.2
91.05486	0.4
93.06995	0.9
95.04965	0.5
95.08579	0.9
95.93105	0.2
97.02871	4.3
97.06509	17.6
99.04418	0.9
100.11236	1.4
105.06224	0.2
105.07012	0.5
107.08555	0.4
109.02860	2.3
109.06483	0.2
109.10133	0.5
110.06051	0.2
111.04426	0.3
115.07549	3.0
119.08549	0.3
120.08075	0.4
121.02860	0.4
121.10134	0.8
127.03889	2.7
128.07085	0.2
130.08606	0.4
132.04422	4.4
133.10104	0.3
137.05933	0.2
145.04942	1.9
145.10023	0.3
147.11658	0.2
149.09592	0.3
160.03934	0.5
160.07674	0.2
163.11087	0.4
165.09149	0.2
178.04953	52.6
179.05237	0.6
181.12212	0.7
182.15411	0.5
197.97740	0.2
199.13228	0.4
201.06635	0.3
206.04440	100.0
207.04802	1.8
210.14929	0.4
223.09450	0.3
241.10649	7.1
259.11737	1.7
285.16620	0.2
303.04846	1.5
314.12497	0.2
318.06882	0.3
400.80087	0.3
455.32870	1.2
464.15283	1.7
464.33179	3.6
464.83224	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	463.3772
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
53.03943	2.2
55.05496	30.3
57.07067	49.1
67.05492	13.7
69.07056	74.5
71.08618	39.2
71.43787	5.8
79.05484	16.1
81.07038	38.6
83.08607	47.4
84.40025	2.1
85.06537	3.4
85.10158	22.0
91.05457	14.2
93.07029	29.5
95.04939	3.2
95.08587	34.7
95.51694	2.2
97.06495	3.2
97.10144	27.8
105.07012	33.6
107.04948	2.7
107.08575	40.3
109.06496	23.0
109.10152	21.5
111.08049	15.8
111.11723	18.4
119.08561	32.3
121.06479	5.6
121.10115	15.6
123.08051	18.9
123.11661	12.0
125.05967	7.5
125.09528	2.4
125.13241	8.5
129.06931	3.3
131.08562	10.4
133.10110	22.2
135.08032	27.0
135.11667	12.5
137.05954	4.5
137.09589	6.9
137.13222	4.8
139.07536	6.8
139.14822	4.9
141.09082	4.0
142.07867	2.4
142.65038	2.3
143.08527	4.5
145.10081	8.6
147.08046	8.9
147.11668	16.6
149.05911	2.8
149.09584	9.0
149.13242	7.1
151.07487	16.7
151.11111	3.0
151.14806	2.9
153.09114	3.4
153.16507	2.4
156.09254	3.3
157.10133	7.5
159.08012	3.1
159.11671	6.6
161.09584	8.7
161.13254	23.5
163.07440	2.8
163.11159	6.4
163.14777	3.4
165.09067	4.9
167.07039	5.4
169.08643	3.6
171.11687	7.4
173.13248	8.2
175.07564	4.6
175.11125	9.1
175.14771	8.9
177.09073	9.1
177.12767	4.9
177.16374	3.0
179.07016	2.8
179.10652	4.2
181.08556	17.6
185.13188	2.6
187.14740	5.2
189.12724	14.4
189.16362	4.1
191.10715	3.4
191.14326	2.8
193.08611	6.0
199.14809	2.8
202.92511	2.7
203.10603	3.2
203.14314	10.5
203.17812	2.4
205.12135	3.8
217.12227	6.7
217.15839	7.8
217.19490	2.4
221.11644	4.2
231.13803	6.0
231.17375	3.4
231.73299	2.7
235.13193	5.1
237.14743	6.3
245.15468	3.6
245.18954	2.9
249.14807	6.1
251.16312	4.0
259.20557	3.1
263.16272	7.2
265.17847	4.4
273.18353	3.5
277.17929	4.7
291.19604	7.1
293.21155	2.6
301.21552	2.3
305.20877	11.5
307.22598	5.3
307.29813	5.4
315.23218	2.8
319.22583	11.9
333.24146	8.6
335.26025	2.5
347.25803	6.7
357.35129	38.4
361.27246	8.6
375.28860	5.3
375.36230	11.4
385.34662	8.9
389.30362	9.4
399.36209	29.2
403.35638	4.9
417.37106	24.4
427.35739	33.4
445.36703	100.0
463.37781	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	463.3774
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
55.05505	14.2
57.07068	36.9
60.38582	1.3
67.05491	10.1
69.07058	30.1
69.85278	1.6
71.08620	30.7
71.28448	3.5
72.38721	1.6
75.30331	1.7
79.05460	4.0
81.07046	20.4
83.05006	1.8
83.08604	20.7
83.62392	1.4
85.10170	10.6
91.05465	5.2
93.06998	8.5
95.04940	1.8
95.08594	17.7
97.06514	4.9
97.10164	12.7
98.63466	1.5
99.04422	4.0
99.97345	1.6
105.07019	8.3
107.04957	2.4
107.08566	7.4
109.06496	14.9
109.10153	9.5
109.10798	1.4
110.03691	1.7
111.08067	2.4
111.11708	7.5
116.50333	1.6
119.08559	8.1
121.10126	5.9
121.14596	1.6
123.08062	11.8
123.11658	4.8
125.05968	16.5
125.13246	1.5
127.07534	41.3
131.08495	2.3
133.10083	3.8
135.08018	5.0
137.05959	7.9
137.09608	4.2
137.13216	1.7
139.07518	100.0
145.10104	2.0
147.11681	4.1
149.05966	5.1
149.09592	3.5
151.07529	6.2
151.11116	2.3
159.11612	1.9
161.13257	3.8
163.07523	4.8
163.11256	1.9
165.09071	3.6
167.07002	2.8
169.08569	3.5
175.11194	2.1
175.14873	3.1
177.09113	16.9
193.12221	3.8
207.13768	2.7
215.55687	1.8
247.16840	2.2
277.21637	1.8
301.28934	6.5
315.86917	1.8
319.29968	12.9
347.32999	12.6
373.31036	6.1
385.34470	1.8
399.36270	4.9
403.35690	5.6
417.37222	16.7
427.35605	5.5
445.36716	76.2
446.37082	2.6
463.37766	92.4
464.38062	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	463.3772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	19.3
57.07067	43.8
67.05492	11.0
69.06714	4.3
69.07053	44.4
69.24714	2.5
71.04984	50.3
71.08618	34.3
71.52296	5.3
78.19682	2.6
78.85477	2.5
79.05467	2.8
81.07046	38.9
83.08611	33.9
85.10169	20.0
93.07018	4.3
95.08590	38.1
96.49905	2.2
97.10149	37.8
99.04439	15.8
107.08561	6.0
109.06498	8.9
109.10144	25.9
111.04397	3.7
111.07999	3.7
111.11699	27.1
119.08546	5.3
121.10074	2.8
123.11652	16.6
125.05977	100.0
125.13242	9.2
127.02988	3.7
127.03899	48.9
127.14773	2.5
137.05962	53.8
137.13222	6.5
139.14758	3.6
145.04883	3.5
147.11662	3.0
151.07495	4.7
157.10080	4.0
161.09558	4.1
161.13269	5.9
165.09122	2.4
165.16360	2.6
167.07004	46.1
175.11198	5.0
177.12682	2.8
179.07027	5.5
189.12604	2.9
213.12778	5.6
219.13840	2.8
225.04039	2.8
319.33578	5.2
337.34460	3.7
354.94760	2.8
385.34476	8.3
385.46130	3.0
403.35648	37.7
409.34393	3.8
445.36810	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	463.3774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	21.9
55.81107	2.8
57.07072	39.2
61.23067	2.9
61.62714	3.2
67.05489	10.8
67.59489	2.8
69.07066	35.6
70.96523	7.4
71.04989	45.8
71.08633	25.8
81.07049	33.6
83.08608	26.0
85.09695	3.0
85.10182	18.4
86.16194	3.4
89.68692	3.3
91.05450	4.6
93.07058	4.5
95.08591	32.9
97.10150	26.5
98.21539	3.7
99.04459	20.4
99.11678	3.6
107.08562	3.7
109.06512	8.5
109.10138	18.7
111.11732	19.0
121.10107	3.7
123.11684	18.4
125.05979	100.0
125.13229	5.7
127.03895	44.3
137.05972	38.7
137.13232	6.8
147.11760	3.5
149.09567	2.8
151.14772	4.1
161.09624	4.5
161.13226	5.6
167.07008	36.1
168.06514	4.2
171.11679	3.2
175.11128	3.6
197.07976	3.0
213.12671	4.3
231.63763	3.4
319.33496	4.1
337.34497	4.6
403.35687	33.2
445.36542	5.5
463.37601	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	463.3773
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
52.49752	0.8
53.03933	1.3
55.05501	14.5
55.46271	0.8
57.06794	1.5
57.07065	29.5
64.56062	0.9
67.05495	6.6
69.07058	24.2
69.19312	1.6
69.19709	8.7
71.08238	1.6
71.08621	26.7
73.99442	0.8
74.30119	0.9
79.05470	4.2
81.07040	17.5
83.08604	16.5
85.10172	13.3
91.05472	3.6
93.07030	6.6
95.04936	1.7
95.08589	15.3
97.06518	3.1
97.10162	10.9
99.04436	5.3
99.11722	1.0
105.07000	3.9
107.04906	1.4
107.08561	4.1
109.06495	12.1
109.10142	7.6
111.08055	1.8
111.11691	5.7
119.08564	4.6
121.06501	2.9
121.10119	4.2
123.08041	9.5
123.11685	3.5
125.05963	12.7
125.09598	1.8
125.13241	2.6
127.07534	42.1
131.08524	2.1
133.09221	1.0
133.10078	4.3
135.08067	2.6
135.11671	1.8
137.05963	3.8
137.09619	4.1
139.07516	100.0
147.11661	2.6
149.05969	3.4
149.09586	2.1
149.13251	1.7
151.07529	7.5
153.09114	1.7
159.11662	1.7
161.09596	2.0
161.13246	2.1
163.07527	2.3
163.11134	1.7
165.09074	4.1
167.07036	7.0
169.08548	2.0
173.09622	0.9
173.13397	0.9
175.11208	1.8
175.14842	2.0
177.00488	1.0
177.09087	13.4
179.06924	1.4
179.10655	1.3
189.12743	1.3
192.10019	0.9
193.12259	1.9
203.14392	1.4
205.42992	0.8
221.15324	1.1
225.36392	1.0
235.16937	1.5
247.16982	1.0
249.14746	1.3
301.28830	4.6
313.30316	0.9
315.20163	1.0
319.29892	11.0
335.03958	0.8
345.31372	1.1
347.33032	15.7
373.31003	4.3
375.36185	1.0
385.34573	1.3
399.36115	2.9
403.35770	2.7
417.37195	18.0
427.35587	3.1
445.36682	58.7
446.37051	1.8
463.37753	64.2
464.38336	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	463.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	4.6
55.01849	4.8
55.05268	1.8
55.05503	26.1
57.03436	10.0
57.07061	1.2
65.03918	4.3
67.05493	61.0
68.68343	1.0
69.06721	2.0
69.07056	21.5
71.04981	5.6
77.03952	1.1
79.05479	52.6
81.03393	2.7
81.07042	61.2
83.04959	5.6
83.08601	11.4
84.04477	1.8
84.08130	1.2
85.06521	4.6
89.61123	1.1
91.05464	66.4
93.07027	50.1
95.04941	11.2
95.08589	40.0
96.08887	1.0
97.02897	1.4
97.06527	7.8
97.10159	6.3
97.96937	1.0
98.21554	1.8
99.08062	2.1
103.03946	2.4
103.05433	3.3
104.06216	1.2
105.07013	61.8
107.04964	6.5
107.08570	22.0
109.06505	7.5
109.10143	13.3
111.08051	2.8
111.11799	1.2
112.99992	1.8
113.05984	1.6
115.05457	2.9
117.06998	28.7
119.08562	43.8
121.06478	7.0
121.10116	21.0
123.04426	1.2
123.08057	5.9
123.11639	2.4
125.09605	2.7
128.06186	5.4
129.06987	23.3
130.04947	1.6
130.07756	2.0
131.04929	1.3
131.08540	55.5
133.06458	4.5
133.10106	24.9
135.08032	6.4
135.08897	1.2
135.11668	9.4
137.09592	4.0
139.11107	1.4
141.06970	6.8
142.07782	2.6
143.08540	20.8
145.06445	4.0
145.10098	29.5
147.08025	7.1
147.11650	10.3
149.09583	6.7
149.13239	5.0
151.11177	3.4
153.06978	2.1
154.07755	1.4
155.08505	11.4
157.10074	15.5
159.08073	3.8
159.11667	14.2
161.09602	3.9
161.13269	4.7
163.11143	2.8
167.08534	4.8
169.10071	10.5
171.11652	10.9
173.09518	2.3
173.13202	5.7
175.11076	1.6
175.14761	1.4
177.12779	2.8
181.08707	1.5
181.10138	5.3
183.11717	7.7
185.09639	2.0
185.13217	8.1
187.11143	2.9
187.14809	3.8
189.12718	1.9
195.11667	5.3
195.13580	1.7
197.13200	7.4
199.11154	3.2
199.14777	3.7
201.12711	2.3
201.16383	3.2
203.14333	1.5
203.17961	1.5
209.13248	5.7
211.14807	4.4
213.12749	1.9
213.16252	1.8
215.14259	1.4
217.15900	1.8
219.17587	1.8
221.13303	1.3
221.15326	1.8
221.44025	1.3
223.14810	2.7
225.16396	2.5
227.14326	3.0
227.18010	1.5
229.15877	1.5
231.17278	1.1
233.15327	3.4
235.17082	1.4
239.18063	1.9
241.15901	2.5
243.17441	1.7
245.15421	1.7
247.16893	2.2
249.16483	1.6
255.17470	2.0
259.16959	3.6
261.18451	2.8
267.17319	1.2
269.19073	1.3
273.18436	4.0
285.18509	1.3
287.19925	1.5
295.99097	1.2
315.97495	1.5
325.21771	1.6
325.25128	6.2
335.23642	8.3
343.26291	17.9
344.26434	1.4
351.25375	1.5
353.24716	36.8
371.25735	49.2
371.30524	2.8
389.26810	54.3
390.27289	1.6
417.29929	2.0
427.23401	1.4
427.28207	6.4
445.29404	100.0
446.29636	2.7
463.30472	76.6
464.30621	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	463.3045
Annotation	Norquadrangularic acid A
Peak:m/z	Relative Intensity
53.03925	3.6
55.01845	3.1
55.05507	15.2
55.60735	1.2
57.03431	5.7
57.07047	1.9
64.30074	1.0
65.03912	1.9
65.33994	1.0
67.05495	45.6
69.03413	2.9
69.07062	16.3
71.04974	2.9
71.53805	1.7
79.05481	39.2
81.07043	47.5
83.04950	2.7
83.08596	6.5
85.06508	2.4
88.77398	1.0
91.05467	49.2
93.07031	40.5
95.04967	7.9
95.08595	31.6
97.02900	1.3
97.06509	5.9
97.10150	4.4
102.64455	1.3
103.05450	2.4
105.07017	48.7
107.04914	3.5
107.08572	19.8
109.06499	6.6
109.10142	9.9
111.08055	1.8
115.05415	2.2
117.06995	23.4
119.04904	2.0
119.08565	29.1
121.06490	4.5
121.10120	14.1
123.08034	3.7
123.11671	1.9
125.09628	2.3
128.06212	3.5
129.06993	15.9
130.07776	1.5
131.08545	37.5
133.06459	3.8
133.10112	18.7
135.08028	2.6
135.11694	5.6
137.09555	2.7
141.06964	4.1
142.07748	2.3
143.08543	14.0
145.06456	2.9
145.10100	24.8
145.11145	2.0
147.04427	1.3
147.08029	5.4
147.11649	5.9
149.09587	4.9
149.13239	3.5
155.08525	7.7
157.10115	11.1
159.08057	2.2
159.11691	11.4
161.09563	2.5
161.13181	2.3
163.11121	1.6
167.08511	1.6
169.10135	8.0
171.07953	1.1
171.11681	6.6
173.09583	1.7
173.13283	5.2
175.11156	2.4
177.05431	3.4
179.08609	1.1
181.10063	3.1
183.11665	4.9
185.09688	1.3
185.13243	4.0
187.11092	1.4
187.14793	3.8
189.12711	2.0
195.11713	3.6
195.13651	1.3
197.13232	4.9
199.14835	3.7
201.12616	2.2
201.16292	1.6
203.14153	1.4
204.17255	1.2
205.10020	1.5
205.15829	1.7
209.13210	2.8
211.14828	2.6
213.12720	2.6
215.14227	2.1
215.17938	1.3
219.06435	2.3
223.14764	1.8
225.16273	1.9
227.14288	2.0
229.15843	1.8
233.15298	2.8
235.17067	1.1
239.17953	1.4
241.15839	1.6
243.17433	2.0
245.15356	1.3
246.23352	1.1
247.16908	2.9
247.63913	1.1
259.16910	2.4
261.18481	2.0
273.18500	2.4
287.05542	2.9
307.24075	1.6
325.25247	6.1
335.23483	7.2
343.26334	10.4
353.24622	26.3
371.25751	36.7
389.26804	38.5
417.29776	1.3
427.28427	3.9
445.29401	100.0
446.29977	5.0
463.30463	57.4
464.30643	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3046
Annotation	Tupichigenin A
Peak:m/z	Relative Intensity
53.03926	3.4
55.01852	3.3
55.05502	15.6
57.03428	6.4
57.07068	1.2
65.03928	2.6
67.05496	46.4
69.03395	1.4
69.07053	14.8
69.51667	5.3
69.52092	3.9
71.04966	3.3
79.05478	37.4
81.03408	1.4
81.07046	42.7
83.04958	4.3
83.08616	6.9
84.08115	1.0
85.06522	3.9
88.83529	1.0
91.05469	50.6
93.06474	2.5
93.07030	38.5
95.04952	6.8
95.08597	28.1
97.06509	3.7
97.10155	3.8
103.05450	2.1
105.04476	1.2
105.07011	45.8
107.04941	3.8
107.08568	17.9
109.06503	6.4
109.10135	8.8
111.08057	2.3
115.05407	2.7
117.06998	24.2
118.49706	1.1
119.08567	28.4
120.41354	1.1
121.06511	7.3
121.10121	15.3
123.08040	3.1
123.11710	2.0
125.09618	2.3
128.06190	2.3
129.06981	13.5
130.04982	1.2
130.07809	1.3
131.08551	37.1
133.06458	4.1
133.10115	21.0
135.08026	5.2
135.11685	6.4
137.09587	2.4
141.06964	4.7
141.09196	1.3
142.07793	2.1
143.08533	15.7
144.09265	1.1
145.06456	2.4
145.10095	20.4
147.08043	5.4
147.11667	6.1
149.09604	3.2
149.13242	2.1
151.11208	1.7
155.08557	7.2
157.10115	9.6
159.08040	3.3
159.11681	11.5
161.09595	1.8
161.13245	2.4
163.11180	1.5
167.08536	3.2
168.09338	1.3
169.10120	7.1
171.08028	1.3
171.11661	6.5
173.09659	1.4
173.13260	4.1
175.11200	1.6
175.14761	1.8
177.12715	2.1
181.10110	4.2
183.11684	4.3
185.09610	1.5
185.13242	4.7
187.11217	1.8
187.14864	3.0
189.12816	1.3
195.11707	4.5
195.13475	1.1
197.13264	5.5
198.68497	1.1
199.14862	2.2
201.12617	1.7
209.13261	3.6
211.14806	2.7
213.12819	1.4
219.17438	1.6
221.15405	1.4
223.14919	3.0
225.16183	1.3
233.15453	3.0
237.16370	1.5
241.15906	1.6
247.16917	3.2
255.17325	1.4
259.16922	2.0
273.18491	2.7
275.19916	1.6
287.05661	1.3
325.25122	3.7
335.23511	6.6
343.26196	9.8
351.25018	2.4
353.24695	22.4
371.25714	35.0
389.26828	38.3
427.28342	3.7
445.29407	100.0
446.29639	2.7
463.30496	47.7
464.30521	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	463.3046
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02358	1.8
53.03928	4.3
55.01849	4.7
55.05502	21.8
57.03425	8.6
57.07051	1.8
60.42888	1.0
65.03907	2.8
67.05491	54.8
68.30971	1.1
69.03407	1.4
69.07055	18.9
69.19806	4.9
69.20232	7.8
71.04971	3.2
79.05476	41.6
81.03424	1.9
81.07037	55.9
83.04943	3.0
83.08599	11.3
85.06525	3.3
89.03898	1.3
91.05463	64.9
93.07027	48.0
93.07616	2.5
94.07323	1.3
95.04949	8.0
95.08588	40.0
96.08924	1.2
97.06502	6.1
97.10137	4.1
98.21468	2.0
99.64950	1.1
103.05449	2.8
105.04500	1.7
105.07008	63.1
106.81015	1.2
107.04924	4.8
107.08569	22.7
109.06502	7.6
109.10136	13.9
109.57220	0.9
111.08071	2.2
115.05411	3.0
116.06210	1.6
117.03350	3.2
117.06995	30.5
119.04894	1.1
119.08557	40.0
121.06474	6.4
121.10123	17.1
123.08037	3.7
123.11687	2.9
125.09590	1.7
128.06180	3.5
129.06975	20.9
130.07753	2.4
131.08534	49.3
133.06462	4.1
133.10100	23.8
135.08009	3.7
135.11658	7.3
137.09560	3.4
137.13193	1.2
139.11108	1.6
141.06963	6.8
142.07707	2.2
143.08539	20.7
145.02834	10.6
145.06445	4.0
145.10097	27.3
145.11261	1.5
147.08049	7.3
147.11665	7.0
149.05978	2.1
149.09558	6.5
149.13246	2.7
151.11060	1.9
153.07024	1.7
155.08537	10.3
157.10092	13.5
159.08029	3.4
159.11652	12.6
161.09555	3.0
161.13243	3.7
163.11192	1.6
167.08488	3.9
168.09258	1.2
169.10100	10.7
171.08000	1.1
171.11685	10.9
173.09554	1.8
173.13217	5.5
174.01979	1.2
175.11150	2.1
175.14856	1.6
177.05432	23.8
177.12695	1.9
178.05884	1.0
181.10104	7.0
183.11646	6.0
185.09593	1.3
185.13237	6.0
186.05577	1.1
187.11130	3.0
187.14813	3.5
195.06560	6.4
195.11665	3.7
197.04819	1.1
197.13185	6.6
199.14772	3.6
201.12654	1.9
209.13257	4.5
211.14807	4.3
213.12737	1.4
213.16362	1.4
215.14313	2.6
215.17944	2.2
217.15906	2.4
219.13734	1.5
221.13356	1.2
223.14774	3.1
225.16316	3.3
227.14166	1.7
227.17863	1.1
229.15840	2.4
231.13855	1.1
231.17345	1.7
233.15335	3.8
233.18860	1.6
235.16916	1.7
237.16327	1.5
241.15880	1.8
243.17361	1.8
245.15424	1.6
247.16916	3.6
251.20094	2.5
255.17357	2.3
259.16861	4.4
261.18484	2.8
269.19046	1.1
273.18439	3.9
275.20084	1.6
287.20093	1.3
295.31409	1.4
300.53314	1.1
317.22849	1.4
325.25116	9.0
335.23651	9.7
343.26291	13.6
353.24673	36.1
353.28989	2.4
354.25116	1.3
371.25745	44.3
389.26758	49.5
417.30142	1.8
427.28397	5.5
445.29398	100.0
446.29718	2.5
463.30417	67.8
464.30856	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	463.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.5
54.39191	1.2
55.01857	2.5
55.05492	4.6
55.75710	1.2
57.03415	5.1
59.39075	1.3
61.55229	1.2
65.03905	1.7
67.05498	9.4
69.03416	38.6
69.03806	1.9
69.07053	2.2
71.01348	2.6
71.04972	1.9
71.25204	1.6
71.25541	2.9
75.04451	3.8
75.64246	1.3
77.03894	1.3
79.05480	22.4
81.03394	5.6
81.07049	14.3
83.04969	2.8
83.08626	1.3
85.02872	6.1
87.04441	2.4
91.05464	47.0
93.07027	100.0
95.04946	10.9
95.08050	1.6
95.08595	18.1
97.02873	57.3
97.06500	2.8
99.04424	3.1
101.69204	1.2
103.05450	4.3
105.04467	1.5
105.07018	21.1
107.04937	2.7
107.08565	13.2
109.06498	5.8
109.10116	3.4
111.04390	2.5
111.08059	7.7
115.03889	5.8
115.05383	2.5
117.06997	11.3
119.08560	64.6
120.08901	1.6
121.02840	1.2
121.06467	9.9
121.10117	56.9
122.10419	1.5
123.04393	1.5
123.08038	4.8
123.11655	3.4
125.09617	1.3
128.06203	3.0
129.07001	6.2
130.08606	1.3
131.08539	10.4
132.05672	1.7
133.10101	5.1
135.08043	8.6
135.11633	2.0
137.05934	5.4
137.09554	5.3
139.11163	4.6
141.06972	1.8
143.08531	7.4
145.06421	4.0
145.10121	8.2
147.08034	27.7
147.11668	2.3
149.02258	3.6
149.05963	2.6
149.09595	23.3
151.07524	4.3
151.11101	1.7
155.08528	2.0
157.10091	5.2
159.08023	2.4
159.11690	2.4
161.09648	4.3
161.13257	2.1
161.23817	1.6
163.07535	4.9
165.09077	13.9
167.10629	3.9
169.05072	1.8
169.10141	3.2
171.08020	2.1
171.11652	4.8
173.09529	3.7
173.13237	2.2
175.11147	2.8
177.09143	2.8
181.08580	2.2
181.10039	2.1
183.06580	1.6
183.11647	3.1
185.09653	1.3
187.11163	2.1
189.09117	1.8
191.10559	1.8
193.08582	1.6
197.09657	2.0
199.11168	3.5
201.09119	1.9
203.10646	2.4
211.14844	1.7
215.10722	2.9
217.12161	3.0
225.12880	1.6
227.10655	1.8
239.17804	1.8
241.15686	1.3
245.11632	5.1
263.12848	7.3
267.17374	4.5
271.41949	1.3
279.12109	4.5
281.13727	5.8
285.18399	4.9
295.16824	3.8
297.13199	1.8
313.17914	3.5
331.18991	2.3
427.21155	1.8
445.21982	7.9
463.23062	5.2
463.29214	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	463.1225
Annotation	6-Methoxykaempferol 3-rhamnoside
Peak:m/z	Relative Intensity
51.80512	0.2
53.03938	0.4
55.05487	0.5
57.03423	4.2
59.04976	0.2
61.02925	0.3
64.64825	0.2
65.03917	0.3
67.05512	0.3
69.03412	0.4
70.06587	0.3
71.01350	0.3
71.04977	29.1
71.90056	0.2
72.05300	0.3
73.02911	0.5
73.66348	0.2
75.04469	0.7
81.03387	0.3
81.07040	0.5
83.04954	0.7
84.08144	0.3
85.02887	28.6
86.03218	0.4
86.06088	0.2
87.04449	0.6
92.02618	0.8
93.03398	0.8
93.07025	0.4
95.08582	0.4
99.04391	0.3
103.09930	0.2
107.05003	0.2
107.08549	0.2
109.10162	0.3
111.04418	0.4
119.08555	0.4
121.02853	1.1
121.10106	0.4
126.03094	0.5
129.04489	0.4
129.05452	7.4
137.05968	0.3
139.03903	0.9
139.93362	0.2
147.06476	1.0
151.03888	0.8
153.01791	5.9
161.12947	0.2
163.04007	0.2
165.01810	0.3
198.51770	0.2
200.04665	0.2
201.05379	0.6
203.03568	0.2
217.05023	0.4
218.05676	0.5
228.04137	1.0
229.04877	2.1
231.02917	0.3
244.09595	0.3
245.04433	0.7
246.05109	1.3
257.04395	2.0
260.03134	0.5
273.03830	1.5
274.04626	3.4
284.03137	0.4
285.03876	3.7
286.04474	0.4
297.06213	0.2
302.04150	9.8
303.04407	0.5
317.06485	100.0
318.06805	3.3
325.26035	0.2
359.07489	0.3
379.16006	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03400	2.2
70.06570	0.7
71.05025	0.7
71.17397	1.3
73.06532	0.7
78.17294	0.6
81.03417	0.6
84.08137	0.7
85.02884	5.7
85.09416	0.5
87.04452	1.3
88.03991	0.7
89.06013	70.7
90.06315	0.9
93.07027	0.5
95.04933	1.3
97.02869	2.1
97.57996	0.5
105.07006	0.8
107.07031	1.7
107.08491	0.6
112.75088	0.5
119.08551	1.2
127.03890	0.6
130.08603	0.8
133.08577	32.1
135.08003	1.1
145.04871	0.9
159.07962	0.7
161.05971	0.8
161.09598	0.8
161.94629	0.5
175.07494	0.8
175.11134	0.6
177.11186	12.8
187.11130	0.9
195.12251	2.0
203.10587	0.7
212.06918	0.7
221.13855	1.2
239.14836	1.9
242.08212	0.6
247.13234	2.3
265.14297	10.4
274.22818	0.6
278.10214	1.4
283.17462	100.0
284.17770	2.0
304.07913	0.6
365.02328	0.5
462.24820	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	1.2
56.05018	0.9
57.03425	1.5
59.83378	0.9
61.02924	1.3
65.03911	1.3
67.05481	3.3
69.03417	6.0
69.07046	1.2
70.06576	1.6
71.03043	1.9
71.04983	0.8
72.08133	1.0
79.05470	2.1
81.03415	1.0
81.07016	2.2
83.04961	1.3
84.08125	2.5
85.02889	7.8
89.06021	22.5
91.05445	4.2
93.07014	4.8
95.04942	7.0
95.08596	3.7
97.02869	3.1
97.06502	1.5
99.04441	0.9
105.07026	6.7
107.07005	0.8
107.08566	2.8
109.02855	1.5
109.06519	4.2
109.10127	1.4
111.04436	4.4
111.08095	1.0
113.05983	2.4
117.06995	1.7
119.08555	9.7
121.02811	1.8
121.06484	4.5
121.10130	1.7
123.04429	0.9
123.08051	4.2
127.03889	2.4
129.06972	1.2
130.08627	2.4
131.08543	4.1
133.06487	1.1
133.08588	10.0
133.10069	2.3
135.08020	10.6
137.09555	2.0
139.07475	1.4
140.38606	0.8
142.07756	1.5
143.08549	2.2
145.04938	1.0
145.06430	1.5
145.10103	4.8
146.06018	1.5
147.04405	1.6
147.08035	4.4
147.11638	2.2
149.09612	1.6
155.08424	0.9
156.09308	1.2
157.10118	5.0
158.07181	2.0
159.08017	5.1
159.11671	4.9
161.05954	1.2
161.09616	5.7
165.09053	4.9
168.09331	1.2
169.10095	1.0
171.08055	1.3
171.11647	1.9
172.08820	2.4
173.09599	1.8
173.13200	4.4
175.07538	8.9
175.11136	4.8
176.07191	0.9
177.05382	1.0
177.11186	3.3
183.11671	2.9
185.09584	1.4
186.03029	1.1
187.11093	6.0
189.09070	2.2
189.12672	3.0
193.08505	2.4
195.12119	0.8
196.08830	1.5
199.11136	4.0
201.05394	1.0
201.12697	5.4
203.10587	7.7
205.12204	1.0
211.11093	3.4
212.07016	1.8
217.12175	3.8
219.13747	1.6
223.07616	1.0
229.04987	1.1
229.12164	5.4
235.13206	2.0
239.14899	1.5
242.08116	2.4
247.13257	25.3
260.09225	1.4
265.14304	100.0
266.14691	2.1
278.10165	5.3
283.17496	30.8
291.94254	0.8
322.09091	1.5
385.83923	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.01860	0.9
55.05511	1.2
57.03432	0.8
61.02925	1.4
65.03939	0.7
67.05501	1.6
69.03416	3.4
70.06572	2.1
71.04993	1.0
71.51442	0.7
72.08138	1.5
73.06551	0.6
74.63022	0.5
76.02210	0.6
79.05478	1.3
81.03415	1.2
81.07040	1.3
83.04955	1.2
84.04489	1.6
84.08111	2.9
85.02889	8.4
86.06065	0.7
86.09694	2.4
87.04459	1.8
88.02179	0.7
88.03983	2.8
89.06018	69.0
91.05442	1.4
93.07029	2.3
95.04947	3.2
95.08581	1.5
97.02864	2.9
99.04421	1.1
103.03927	0.8
105.07021	2.7
107.04942	0.6
107.07053	2.2
107.08598	1.6
109.02875	1.5
109.06507	1.5
109.10131	0.6
111.04404	1.5
113.06011	1.1
117.07036	0.6
119.08540	3.0
120.08106	1.5
121.02869	0.6
121.06496	1.3
121.10120	1.0
123.04421	0.7
123.08067	1.1
124.03964	0.6
127.03905	2.7
129.10222	1.4
130.08644	1.7
131.04942	0.6
131.07068	0.7
131.08569	2.2
133.06462	1.6
133.08588	32.9
133.10091	1.0
134.08971	0.6
135.08015	3.3
136.07552	0.8
137.02332	0.6
137.05954	1.2
137.09573	1.3
138.05473	8.8
139.07625	0.7
143.08519	1.4
144.09229	0.7
145.02812	0.7
145.04953	2.3
145.06430	0.5
145.10104	1.8
146.05984	2.2
147.04393	2.4
147.08000	2.2
147.11584	1.2
148.07576	0.5
151.09665	0.9
157.06163	0.8
157.10115	1.2
159.08040	1.8
159.11656	1.9
161.05962	1.5
161.09595	2.5
165.09071	1.5
168.06548	0.8
172.08876	0.6
173.09526	1.2
173.13243	1.1
174.05466	1.0
175.07478	3.1
175.11169	1.5
177.05443	0.9
177.08875	0.7
177.11191	11.1
179.10638	3.9
186.08998	0.6
187.11118	2.1
189.09015	1.0
189.12685	1.0
193.08540	1.0
193.10165	0.6
195.12247	2.0
199.05833	0.6
199.11206	1.6
201.12666	1.9
203.10672	2.2
204.93167	0.6
211.11021	0.8
212.07007	2.0
214.08543	1.0
217.12180	2.0
221.13826	1.1
228.06606	0.6
229.07184	0.6
229.12155	1.8
235.13065	0.6
239.14854	1.9
242.05688	0.6
242.07939	2.6
247.13281	7.6
260.09180	2.8
265.14310	31.1
266.14761	0.6
278.10281	3.0
283.17477	100.0
284.17813	1.3
322.09094	0.7
384.38159	0.6
462.13278	2.7
462.25571	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.7
55.01863	5.8
55.05503	35.3
57.03412	11.3
58.93805	2.5
65.03909	5.3
67.05492	59.1
68.78008	2.4
69.03423	4.1
69.07053	25.8
70.00275	11.3
71.04984	4.4
79.05483	61.7
81.03408	4.2
81.07035	59.3
83.04971	11.0
83.08607	21.9
85.06530	7.0
89.91122	2.5
91.05463	75.8
93.06470	4.7
93.07029	65.2
95.04961	13.9
95.08588	33.1
97.06536	7.2
97.10146	9.5
99.08096	3.5
103.05434	5.0
105.07014	60.5
107.04930	8.3
107.08578	25.6
109.06499	9.3
109.10139	17.2
111.04420	5.1
111.08041	7.5
115.05432	7.0
116.06227	4.2
117.06993	46.3
119.08570	36.7
121.06480	7.9
121.10114	19.2
123.08015	7.2
123.11661	3.1
125.09595	5.9
128.06189	14.0
129.06985	57.5
131.04903	4.7
131.08539	63.4
133.06476	11.2
133.10098	19.0
135.08055	6.5
135.11652	6.8
137.09608	3.9
137.15762	2.9
141.06950	18.8
142.07718	4.2
143.08536	41.6
145.06453	16.2
145.10112	28.8
147.08031	12.0
147.11693	9.8
149.09583	6.3
153.07027	2.5
154.07765	4.2
155.08534	35.4
156.09238	4.0
157.06448	4.5
157.10107	23.1
157.50571	3.0
159.08055	9.6
159.11684	15.7
161.09535	4.6
163.11127	3.6
165.06970	3.9
167.08588	10.6
169.10083	23.8
171.08005	4.7
171.11641	17.1
173.09650	3.5
173.13287	5.4
175.11177	4.3
177.12703	5.1
179.08545	9.2
181.10135	12.3
182.10796	2.9
183.08101	2.8
183.11713	13.0
185.09602	5.1
185.13210	13.0
187.11237	3.2
187.14697	3.4
189.12726	3.7
193.10104	5.3
195.11653	13.4
197.13213	8.6
199.11188	4.9
199.14793	6.9
201.12675	5.1
203.14346	2.8
207.11653	6.8
209.13269	12.2
211.11227	3.2
211.14790	6.7
213.12747	5.3
213.16270	4.6
215.14276	12.2
217.15828	3.6
221.13217	14.2
223.14838	11.1
225.12654	3.9
225.16386	6.0
227.14227	4.3
229.14212	3.7
231.13927	2.9
231.17534	3.4
235.14854	6.1
239.14320	6.9
253.15903	3.2
257.15292	5.7
267.17688	3.3
269.15222	3.5
271.16812	7.4
273.18723	2.4
283.17255	2.9
305.22348	2.6
315.21210	4.7
322.01718	2.7
323.23630	11.8
333.22229	13.6
341.24603	17.7
351.23157	52.5
356.69070	2.6
359.25848	5.3
369.19940	4.7
369.24188	52.5
387.25293	26.5
415.28571	7.0
425.26685	6.7
443.27863	100.0
461.22430	5.7
461.28894	92.6
462.29459	6.1
468.66797	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	461.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22219	1.4
53.03933	6.6
55.01859	7.6
55.05505	40.8
57.03423	9.4
57.07059	2.9
65.03935	2.8
67.05496	51.5
67.17113	1.5
69.03408	7.5
69.07056	21.3
69.37865	4.4
69.38289	10.3
71.04984	7.8
75.04478	2.0
76.55717	1.5
79.05482	55.4
80.05818	2.0
81.03426	3.6
81.07043	55.6
81.07529	2.9
82.07394	1.7
83.04969	59.4
83.08604	17.0
84.05297	7.4
85.02892	5.1
85.06535	3.7
86.57761	1.5
89.06016	3.2
91.05468	79.4
91.07925	1.3
92.05814	5.8
93.03364	1.7
93.07029	100.0
94.07338	8.0
95.04951	22.2
95.08591	40.0
95.09174	2.7
97.02891	3.5
97.06493	8.2
97.10149	7.7
97.76535	1.4
99.04448	4.3
99.08070	2.0
103.05482	7.1
105.07018	47.2
106.07365	2.8
107.04928	10.5
107.08566	33.9
107.09298	1.8
108.08956	2.7
109.06510	6.7
109.10136	16.2
111.04429	28.4
111.08046	8.7
112.04778	5.4
113.06036	1.7
115.05428	7.4
116.06242	2.2
117.07003	36.7
119.04920	2.3
119.08559	48.9
119.09361	2.8
120.08931	6.5
121.06480	14.6
121.10124	60.9
122.10484	7.1
123.08047	9.0
123.11702	3.8
125.06010	2.1
125.09638	4.8
128.06184	10.5
129.05478	4.0
129.06981	36.7
130.07794	3.6
131.04881	3.7
131.08546	52.7
132.08965	2.6
133.06485	9.9
133.10094	18.9
135.08072	9.1
135.11642	10.0
137.09601	5.8
139.11197	6.4
141.07014	11.9
142.07765	3.4
143.08548	35.9
145.06448	10.9
145.09012	3.0
145.10107	25.0
145.11174	2.8
147.08023	15.5
147.11673	8.6
148.08405	2.8
149.05968	1.7
149.09598	20.2
149.13274	3.6
150.09938	2.1
151.07576	2.3
151.11162	2.5
153.06966	3.2
153.09129	1.6
154.07745	3.2
155.08531	23.3
156.09192	1.9
157.10115	20.0
157.11317	1.8
159.08070	8.5
159.11659	14.9
161.05934	2.1
161.09622	7.9
161.13278	3.8
163.11162	3.2
165.07037	3.0
165.09103	8.7
167.07297	1.9
167.08472	9.1
167.10713	2.5
168.09451	2.3
169.10121	15.2
171.08070	6.5
171.11674	13.5
173.09645	7.5
173.13283	5.6
175.11131	2.5
175.14778	1.7
177.09090	1.6
177.12772	3.1
178.07729	2.1
179.08514	3.4
181.10080	10.1
183.08154	2.0
183.11694	13.8
185.09589	2.4
185.13206	12.0
187.11186	5.5
187.14798	6.4
189.11255	2.2
191.10683	2.1
193.10118	3.8
195.11685	9.0
197.09567	1.9
197.13292	6.8
199.11201	2.9
199.14853	5.0
201.12737	4.1
203.14281	3.2
207.11739	5.0
209.13226	6.2
211.11076	2.5
211.14902	6.9
213.12811	7.6
213.16428	5.2
215.14357	7.0
217.12262	2.4
219.11757	2.0
221.13347	3.7
223.14853	6.1
225.12767	4.3
225.16472	2.3
227.14311	3.4
227.17924	2.2
229.16101	1.8
231.13802	3.1
231.17502	1.9
233.15404	3.4
235.14894	5.3
237.88490	1.5
239.14366	6.3
239.17931	2.1
241.15968	3.8
243.13766	1.9
245.15399	2.2
249.16405	1.6
251.14436	2.0
253.15874	3.7
255.17612	1.7
257.15460	4.8
259.17072	4.6
267.17587	1.6
269.18976	3.8
271.16907	8.0
273.18576	2.5
275.20078	2.7
277.14417	5.9
278.14841	2.1
279.14798	2.8
285.18692	2.6
287.20154	5.9
289.18066	1.8
295.15372	3.4
297.18515	5.1
315.19528	3.5
320.54834	1.7
323.23831	5.7
333.21994	8.4
341.24677	12.7
349.23813	3.2
351.23126	37.8
352.23642	2.2
369.24194	56.3
387.25223	33.6
387.29993	2.0
389.24405	2.2
415.28851	1.8
417.26663	1.8
425.26660	4.3
443.28036	72.8
444.27954	2.6
461.29047	82.5
462.29480	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	461.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.2
53.03935	4.6
55.01856	2.5
55.05502	20.1
57.03433	5.2
65.03915	2.0
67.05489	9.1
69.03420	10.7
69.07048	3.8
71.01325	1.0
71.04981	3.2
75.04460	3.6
76.77625	0.8
77.03910	1.0
79.05481	22.4
79.05910	1.9
81.03401	2.5
81.07034	15.0
83.04967	68.3
83.08606	1.7
85.02895	10.5
85.06562	1.0
91.05465	26.6
93.07028	100.0
95.04947	13.8
95.08044	1.6
95.08598	16.2
97.02890	1.9
97.06516	2.5
98.21668	1.2
99.04451	3.8
103.05433	2.2
105.04540	1.7
105.07019	22.3
107.04952	2.0
107.08576	19.9
109.06518	3.1
109.10155	5.5
111.04423	43.1
111.08066	6.3
113.05990	0.9
115.05421	1.2
116.06257	1.5
117.06982	6.9
119.04886	1.2
119.08566	24.7
121.06477	5.5
121.10123	74.5
122.10426	1.7
123.08044	4.8
123.11671	2.9
128.06212	0.9
129.05463	6.6
129.06963	5.4
131.08553	14.0
133.10115	7.9
135.08014	3.4
135.11693	4.0
137.06012	1.0
137.09654	1.8
139.11174	9.9
141.07007	1.1
143.08559	6.8
145.06499	1.3
145.10104	10.2
147.08025	6.3
147.11674	6.2
149.09592	20.2
151.07536	1.2
151.11217	1.1
153.09135	2.2
155.08620	2.4
156.09296	1.7
157.10115	9.4
159.08060	2.0
159.11668	10.4
161.09563	5.4
161.13287	1.2
163.07486	1.0
163.11189	1.3
165.09082	2.8
167.10638	3.8
169.10081	2.2
171.07983	1.3
171.11662	5.8
173.09631	3.3
173.13251	4.2
175.11148	3.2
177.09061	2.0
181.10086	1.7
183.11659	3.3
185.09712	1.5
185.13217	6.3
187.11073	1.6
187.14760	3.1
189.12691	1.7
195.11775	2.3
197.08006	1.4
197.13176	2.5
198.40950	1.0
199.11186	2.4
199.14716	1.8
201.12759	3.0
203.14359	1.0
208.04811	1.0
209.13243	1.9
211.14780	2.5
213.12726	3.6
213.16269	6.1
215.14317	2.0
223.14780	2.1
229.17038	1.3
229.19206	0.9
231.13725	2.1
233.15257	1.9
239.14284	1.5
241.12167	1.1
241.15906	4.3
241.19484	6.1
251.17987	1.7
259.13129	2.6
259.16916	1.8
267.17343	1.2
269.18948	10.2
277.14261	8.7
279.17523	1.4
285.18393	1.9
287.19968	10.3
295.15295	10.9
297.18433	11.9
315.19437	7.4
333.20633	3.7
387.25873	1.4
415.24731	3.2
443.23990	14.5
461.25122	4.8
461.29874	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	461.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.6
55.01854	2.8
55.05297	1.9
55.05503	19.9
57.03420	3.3
65.03921	3.0
67.05497	16.7
69.03411	9.8
69.07061	6.2
69.45122	12.5
71.04961	3.2
75.04446	4.4
79.05482	28.3
81.03408	7.2
81.07052	22.8
83.04964	68.8
83.08594	5.7
84.05296	2.7
85.02870	8.3
85.06493	2.1
91.05464	30.5
93.07025	100.0
95.04942	13.3
95.08593	17.8
97.06513	4.2
97.10123	2.3
98.21519	3.5
99.04445	3.5
103.05441	2.8
105.04515	3.2
105.07013	29.9
107.04926	3.6
107.08557	26.1
109.06487	3.2
109.10138	6.2
111.04424	36.3
111.08073	8.0
113.06017	1.7
113.61864	1.9
117.06988	8.4
119.08562	25.2
121.06473	6.5
121.10122	71.6
123.08007	4.4
123.11704	3.4
125.09660	1.7
125.63724	1.7
126.92298	1.7
128.06165	2.5
129.05461	5.9
129.06995	7.8
129.85461	1.6
131.04921	2.4
131.08543	18.1
131.88568	1.8
133.06422	3.2
133.10101	11.1
135.08054	4.2
135.11653	4.7
137.05861	2.7
137.09601	3.4
139.11191	8.8
142.07722	2.2
143.08521	11.6
145.06410	3.1
145.10115	13.1
147.08012	5.2
147.11647	6.4
149.09607	18.9
153.09128	2.7
155.08490	2.7
157.06441	1.8
157.10094	9.9
159.07997	2.9
159.11641	8.4
161.09593	5.5
161.13301	2.2
162.33698	1.9
165.09123	5.4
167.10654	3.1
169.10085	4.2
171.11626	6.1
173.13260	6.5
175.11177	4.7
177.09183	2.4
177.12723	1.7
181.10101	3.5
183.11745	4.7
185.09651	2.0
185.13240	6.2
187.11243	2.6
187.14810	3.5
189.11195	2.2
195.11719	3.7
199.10934	2.5
199.14783	2.3
211.11159	2.0
211.14877	2.6
213.12807	3.4
213.16318	4.3
215.14445	2.7
217.12122	2.7
227.75920	2.0
230.99895	1.7
231.13689	1.9
241.15968	4.6
241.19536	3.4
259.13235	2.2
267.17310	2.4
269.18982	9.4
277.14297	8.3
287.19949	8.6
295.15234	8.8
297.18463	11.3
297.88388	1.7
315.19528	5.4
324.61118	1.9
333.20615	3.4
351.23096	3.5
369.24155	9.0
387.25198	5.2
415.24597	3.1
443.23392	4.6
443.27951	8.3
461.29660	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	461.237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.9
55.01867	1.4
55.05497	4.2
56.27006	0.7
57.02648	0.7
57.03414	0.8
62.61943	0.8
67.05515	1.7
69.03411	4.6
69.07053	10.1
70.93225	1.8
70.93567	0.8
71.04974	2.3
79.05469	3.4
81.03395	1.9
81.07043	11.1
83.08607	5.8
84.08128	0.8
85.02888	7.8
85.06538	0.9
87.00800	4.4
91.05461	1.9
93.07026	10.0
95.08586	21.8
97.02866	3.1
97.10149	3.4
99.04420	1.0
99.08075	20.0
105.01836	6.1
105.07005	2.2
107.08565	22.9
108.25113	0.8
109.02836	2.0
109.10128	6.7
111.08043	6.9
113.09602	1.8
119.08521	1.2
121.10116	42.7
123.11732	0.9
125.09568	4.8
125.72193	0.9
127.03885	5.0
133.09984	0.9
135.11664	8.3
137.13235	6.5
139.11201	1.0
145.04909	3.0
147.11642	0.9
147.14534	0.8
149.13261	3.7
177.16347	100.0
178.16664	2.0
195.17412	24.2
213.18448	50.2
214.18826	1.8
231.04974	1.0
249.06088	0.8
293.99155	0.7
301.10147	0.7
368.74228	0.8
446.79526	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1434
Annotation	8-Hydroxy-4',7-dimethoxyisoflavone 8-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
52.67849	0.4
53.03933	1.4
55.01857	1.3
55.05495	1.6
57.03428	0.9
57.07051	0.8
59.04997	0.7
61.02905	0.6
67.05492	1.7
69.03427	4.5
69.07059	3.7
70.06575	2.4
71.04972	1.6
71.51807	0.6
71.52203	0.6
72.08150	1.9
73.02918	0.8
79.05489	1.7
81.03404	2.9
81.07032	3.0
83.04950	1.0
83.08628	1.1
84.04489	0.9
84.08131	2.6
85.02900	7.8
85.06535	0.9
86.09671	2.3
87.00809	0.9
87.04454	0.7
91.05471	1.7
93.07027	3.1
95.04967	2.3
95.08602	3.3
97.02888	4.1
97.06548	0.7
97.10131	0.5
99.04466	1.5
99.08081	1.5
100.11253	0.5
103.05441	0.7
105.01858	0.8
105.07020	1.7
107.04942	84.9
107.08589	3.2
108.05282	1.2
109.02863	1.1
109.06544	0.6
109.10154	2.4
111.04385	0.5
111.08121	0.5
113.09627	0.6
119.08585	1.3
120.08118	0.6
121.02903	0.5
121.10139	3.0
123.08068	0.6
123.11689	0.7
124.07589	0.6
127.03104	0.6
127.03904	3.0
128.06190	0.5
129.07011	0.5
131.04906	1.0
133.10132	1.3
135.08049	0.6
135.11671	1.5
137.02386	0.5
137.06010	1.4
137.09549	0.6
137.13188	1.1
139.11150	0.7
145.04927	2.4
145.10117	0.8
146.06000	0.5
147.04364	0.6
147.07977	0.6
149.13177	1.0
153.12706	1.0
159.11636	0.5
163.07565	0.8
163.11127	0.7
165.09018	0.5
167.07097	0.7
177.16374	5.5
179.10628	0.4
187.90430	0.6
192.04146	1.0
193.04947	38.8
195.17407	3.0
210.14780	0.6
213.18448	3.2
215.27542	0.5
221.13002	0.5
268.11981	0.7
299.09097	100.0
300.09381	4.5
309.15964	0.6
309.40143	0.5
313.11734	0.7
315.04987	0.9
330.09384	0.5
348.70929	0.5
355.16467	1.0
383.15848	0.5
401.17261	2.4
429.16876	2.3
461.19214	5.1
461.29974	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	460.305
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04021	0.2
53.03947	0.7
55.05499	0.9
57.07074	0.3
60.51358	0.3
65.03915	0.5
67.05495	4.9
68.04997	0.3
69.07053	0.7
69.74217	0.2
70.83435	0.3
70.83798	0.5
71.08600	0.3
73.94125	0.2
79.05464	2.3
80.05010	0.8
81.07047	4.5
82.06578	0.3
83.08617	0.4
89.06023	0.3
91.05466	4.1
93.05765	1.7
93.07034	5.3
94.06553	17.6
95.04958	1.2
95.08588	3.1
96.04523	0.3
96.08108	0.8
97.06525	1.1
105.07005	0.5
105.31554	0.2
107.08558	1.1
108.08099	18.0
108.79893	0.2
109.06483	0.5
109.10149	1.7
110.06021	0.9
110.09641	0.7
111.06809	0.3
111.08060	0.7
112.07585	1.1
117.05769	0.3
118.06509	0.7
119.04925	0.6
119.08569	0.4
120.08077	1.6
121.06480	0.9
121.10146	1.0
122.06007	61.3
123.06415	0.4
123.11672	0.9
124.07583	1.1
126.05605	0.2
126.09077	0.4
131.08504	0.3
133.10072	0.4
135.11676	0.6
136.07556	32.3
137.05949	0.5
137.07858	0.3
137.13254	0.5
138.09117	9.4
139.07535	1.9
140.07042	5.9
145.10088	0.6
146.06035	0.3
147.04393	0.4
154.08600	13.3
156.10179	6.6
159.11736	0.3
163.14789	0.4
164.07045	16.7
165.05356	0.3
173.13116	0.4
179.47076	0.2
180.06511	0.3
182.08099	100.0
183.08449	2.1
187.14708	0.3
200.09145	25.0
201.09532	0.4
205.35516	0.2
243.20953	0.9
261.22119	2.3
271.76270	0.2
307.34726	0.3
307.57150	0.2
323.38358	0.3
338.19589	0.8
352.21024	0.8
364.21350	0.3
366.22339	0.5
416.31482	1.0
417.29272	0.2
442.29388	0.4
460.30511	7.9
461.30518	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.0
55.01855	1.7
55.05499	1.4
56.05007	0.8
57.03421	4.2
58.06578	0.6
59.04988	29.4
60.04492	0.9
61.02909	1.4
64.89314	0.5
67.05492	3.4
69.03413	6.0
69.07047	1.5
69.47215	1.8
69.47654	2.0
70.02930	2.2
70.06582	3.3
71.01318	0.8
71.04977	1.3
72.08128	2.9
72.77950	0.5
73.02899	7.9
73.06541	1.1
74.02431	3.6
77.03915	0.6
77.82900	0.6
79.05476	2.8
80.56897	0.5
81.03398	2.4
81.07041	5.4
82.07333	0.5
83.04986	1.2
83.08591	1.1
84.04466	1.0
84.08128	8.4
85.02886	6.0
85.06522	1.0
86.06056	0.7
86.09693	4.6
87.00790	1.1
87.04449	5.5
87.10022	0.8
88.02201	1.2
88.03969	7.8
88.04790	0.6
89.06012	75.2
90.06332	0.9
91.03946	0.5
91.05444	4.3
93.07021	4.7
94.06554	1.1
95.04939	2.9
95.08595	3.5
97.02882	6.8
97.06513	1.7
98.06017	0.6
99.04421	1.4
99.08068	1.7
100.07543	0.6
101.05993	0.5
103.03955	0.8
103.05440	2.0
103.07547	2.9
103.12332	0.5
105.01825	0.7
105.07018	2.8
107.04932	10.8
107.07026	2.8
107.08526	2.4
108.05273	0.8
109.02860	1.8
109.06508	1.1
109.10139	2.7
110.06010	0.6
110.07153	0.6
110.10472	0.6
111.04411	0.8
111.08029	1.3
112.11279	0.6
113.06016	0.6
115.03915	4.6
115.05448	1.6
116.03403	2.6
116.07082	1.0
117.06989	1.3
117.09094	2.0
119.08566	2.5
120.08054	1.1
121.06482	1.8
121.10094	3.9
122.02678	0.6
122.06027	0.8
122.09656	0.7
123.04417	0.9
123.08024	1.1
123.11678	1.3
124.07581	1.7
125.09575	0.8
127.03864	3.3
129.10182	0.7
130.08594	2.5
130.12273	1.5
131.04909	7.4
131.07018	1.4
131.08539	1.3
133.04987	1.2
133.08572	49.8
133.10161	1.8
134.02794	0.6
134.03529	1.0
134.04463	12.1
135.08020	2.8
135.11662	1.6
136.07535	1.0
137.05945	14.8
137.06931	1.0
137.09579	1.2
137.13242	0.6
138.06358	0.8
140.10667	1.3
141.01810	0.5
143.04887	1.2
144.06447	0.5
145.04922	2.1
145.06451	1.1
145.10106	1.1
146.03636	0.7
146.05957	1.0
147.04376	1.4
147.08051	0.6
147.10088	1.0
147.11609	0.8
148.13297	1.7
149.05946	8.0
149.09546	0.5
149.13129	0.5
151.03833	0.5
151.07510	0.8
151.09650	0.7
151.11166	0.5
157.10001	0.8
159.11713	0.9
160.05180	1.0
161.04616	0.8
161.05948	13.6
161.09596	0.6
161.11717	1.4
161.13092	0.5
162.06432	0.7
163.06180	0.8
163.07455	3.5
163.11101	0.9
164.07823	0.8
165.06966	5.5
165.09085	0.8
165.12711	0.8
166.12225	2.7
167.07051	1.1
167.08521	0.7
169.13313	0.5
173.13237	0.9
175.03886	0.7
175.07539	2.1
177.05453	1.3
177.11183	16.6
177.16336	2.3
178.07761	0.6
179.07092	1.2
179.08534	1.9
180.08701	0.5
181.06476	0.8
182.07251	2.6
188.04642	7.6
189.05333	0.5
189.07065	0.5
189.09087	0.6
191.06967	2.2
191.12733	0.8
193.06438	8.3
193.16014	0.8
194.07054	0.9
194.11700	1.3
194.16142	0.8
195.08127	0.7
195.10098	1.5
195.12218	0.8
195.17450	0.6
196.08894	1.1
196.10461	0.7
197.09543	1.5
200.12793	0.7
203.06985	20.0
204.07278	1.6
205.04819	0.6
205.08577	1.2
207.08070	1.7
208.16837	0.8
209.05936	1.1
209.07864	0.7
210.06709	6.1
211.07446	1.2
212.12798	5.0
213.18521	1.2
221.05920	13.9
221.07928	0.8
221.09448	0.8
221.13802	3.1
222.06354	1.7
223.07579	0.8
224.08241	3.4
225.09036	16.4
226.09338	1.2
227.07054	1.6
234.06699	1.6
235.07686	2.8
236.08134	0.6
237.05402	1.0
238.06245	3.8
239.06995	0.8
239.10571	1.8
239.14819	3.5
241.08606	0.6
249.09096	3.1
250.18848	0.6
251.06924	2.5
252.07739	4.4
253.08522	21.7
254.09116	1.9
255.06364	2.5
262.06265	1.0
263.06845	0.8
265.08810	0.6
266.09314	1.7
267.10092	13.4
268.10458	1.1
269.08228	0.9
270.08789	1.4
272.07422	0.6
277.08499	6.2
278.08945	1.4
279.06561	0.8
280.07294	2.4
281.11359	0.7
283.17474	5.2
285.11142	31.2
286.11575	2.8
294.08722	2.5
295.09637	7.7
296.09827	1.0
298.13855	0.8
299.12796	0.8
309.07697	0.8
309.11148	12.6
310.11478	0.7
311.09067	0.9
312.09830	1.7
327.12195	100.0
327.20056	34.2
328.12521	10.4
328.20560	1.1
341.10028	0.7
362.18054	1.1
385.24261	11.0
396.14621	1.3
424.31119	0.7
425.12140	1.0
442.14639	1.7
442.25055	0.8
443.13486	1.6
443.28433	10.4
460.15341	2.5
460.25354	2.8
460.31393	2.0
461.14346	3.9
461.24951	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	460.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.0
55.01857	5.2
55.05501	1.9
57.03422	1.0
59.04991	12.9
60.04514	1.0
61.02927	1.0
61.98986	0.8
67.05489	2.5
69.03421	4.0
69.07043	1.8
69.22916	0.7
70.06577	9.0
71.04978	2.1
71.52166	1.6
72.08142	3.6
73.02910	10.9
73.06551	2.7
74.06062	1.2
74.09703	4.0
75.04494	1.1
76.60173	0.8
77.06004	0.9
79.05466	3.0
81.03425	2.5
81.07038	3.6
82.06560	2.3
84.04492	2.7
84.08143	4.5
84.20188	0.8
85.02894	4.5
85.06525	1.7
86.06060	2.0
86.09698	9.1
87.04455	30.4
87.05590	1.0
88.02197	1.9
89.06017	100.0
90.65638	0.8
91.05472	4.0
93.07031	3.6
94.06513	1.0
95.04951	1.5
95.08594	2.8
96.08144	0.9
97.02874	1.7
97.06487	1.4
99.04442	35.3
99.08074	2.6
100.07632	1.6
101.06022	1.3
102.05562	1.1
103.03926	70.1
103.07551	5.1
104.07143	0.9
105.01894	0.9
105.06384	0.7
105.07027	3.1
107.04934	1.4
107.07056	3.3
107.08572	2.9
108.08885	1.0
109.02842	1.8
109.10156	2.7
110.06039	0.8
110.07168	2.3
111.04451	0.9
116.07065	1.0
117.05473	34.8
117.09117	1.9
119.06995	1.3
119.08559	2.9
120.08884	0.9
121.06503	1.6
121.08606	1.4
121.10099	4.4
123.08108	1.3
124.07587	9.9
127.03895	3.3
128.06021	0.9
128.07028	1.0
129.10182	1.2
130.05016	1.4
130.08611	2.5
131.07028	9.4
131.08540	1.8
133.08585	52.9
133.10150	1.8
135.08040	1.3
135.11662	1.5
136.07564	2.2
137.05969	2.2
137.09578	1.3
138.09131	1.8
140.07028	2.0
140.10669	1.0
141.05614	1.3
145.02794	1.5
145.04933	1.1
146.05975	0.9
147.04378	1.6
147.06502	7.9
147.07637	1.5
147.10213	1.5
147.11638	1.1
149.09595	1.6
154.08580	1.5
159.11636	1.1
161.05960	3.1
161.08095	5.7
163.09669	2.6
165.09033	1.5
175.09694	3.8
176.10605	0.8
177.05495	1.7
177.11201	23.6
188.93494	1.1
189.09117	1.1
191.09142	5.6
191.12776	1.0
193.04967	1.0
193.08568	2.3
194.11819	1.1
195.12283	0.9
203.06995	2.8
205.10712	2.2
207.12247	3.2
211.16866	0.8
212.12775	11.3
212.17212	1.4
221.13805	6.8
235.11671	5.3
239.14752	1.3
249.13245	2.2
253.16393	1.1
265.16599	2.5
279.14462	2.0
283.17523	2.9
298.14743	1.3
299.10495	1.4
303.13217	3.9
303.47192	0.9
309.19046	0.8
327.20087	4.1
337.18411	0.8
339.20126	2.8
341.18179	1.7
353.21506	2.4
357.21143	1.0
367.19708	2.4
371.22635	1.9
385.20633	19.7
397.24396	2.5
425.23755	2.4
442.24887	1.0
443.24756	17.4
460.18317	1.3
460.27124	1.9
461.15518	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	460.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.2
55.01861	6.5
55.05504	1.3
57.03418	4.4
60.04517	1.1
61.02909	3.7
65.03929	0.6
68.99765	2.5
69.03416	24.0
71.01334	0.8
71.04979	3.4
71.08997	1.2
73.02896	6.5
79.05468	1.4
81.03402	23.4
81.07049	1.1
82.93576	0.5
84.04498	0.7
85.02888	65.5
86.03182	0.7
86.06000	0.5
87.00810	25.4
87.04444	1.3
88.03993	0.5
91.03914	1.8
91.05456	2.0
93.06999	1.1
95.04917	0.6
95.08587	1.3
97.02870	24.7
98.06012	0.8
99.04433	11.5
101.74598	0.6
103.05436	3.8
105.01849	27.1
105.06986	2.5
107.04946	6.7
107.08585	0.8
108.04459	8.8
109.02859	26.3
109.10149	0.8
115.03883	0.9
117.01807	3.8
119.08552	1.3
121.06474	1.1
121.10106	0.7
124.12020	0.5
126.05489	3.9
127.03892	50.2
128.04239	0.6
129.01794	3.0
130.08638	0.7
131.04872	1.2
133.06543	0.7
133.10120	0.8
134.10442	1.1
135.08009	4.5
137.09605	0.7
139.03877	2.8
145.04926	26.0
147.02838	2.0
149.13184	0.9
150.13643	0.6
154.06216	23.8
159.02852	15.1
163.07512	22.8
167.06966	1.1
171.02902	0.7
175.14851	0.7
176.15123	1.3
177.03929	1.1
180.07715	0.7
183.94597	0.5
189.03908	1.3
194.16240	1.3
195.10127	100.0
196.10449	1.4
200.12839	0.6
205.08463	0.6
207.10086	1.2
211.16904	0.7
212.05408	0.7
212.17224	0.8
213.03889	2.9
221.08058	0.6
230.06560	2.4
231.04936	12.7
248.07602	7.5
249.05951	1.6
261.11020	0.7
266.08759	1.5
285.11139	1.1
303.12067	2.0
414.61404	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73676	0.3
53.03922	0.4
55.01851	1.0
55.05506	0.6
57.03412	1.1
57.25288	0.4
59.04990	15.7
60.04505	1.2
64.61272	0.3
67.05463	0.6
68.05001	0.7
69.03414	0.8
69.07057	0.7
69.48321	2.7
70.02948	2.3
70.06570	1.8
71.01328	0.9
71.04987	0.5
72.08147	2.1
74.02423	5.0
78.69852	0.3
79.05466	0.7
81.03400	0.5
81.07051	0.5
84.04490	1.0
84.08111	2.0
85.02888	2.7
86.06055	3.7
86.09699	2.5
87.04449	0.8
88.02188	0.6
88.03976	9.8
89.02389	0.5
89.03918	0.6
89.06018	5.2
91.05469	6.6
93.07030	2.4
94.06525	0.4
95.04953	1.7
97.02862	0.8
98.06031	0.5
100.07587	0.8
103.03931	2.0
103.05458	2.2
103.07533	0.4
105.03382	0.5
105.07033	1.1
107.04946	4.5
107.07025	2.4
107.08587	0.5
109.02885	0.8
110.05984	0.6
110.07145	0.7
116.03421	2.9
116.07095	0.5
117.03349	0.8
117.07014	0.3
117.09114	4.5
118.06527	1.1
118.08545	0.4
119.04921	4.2
119.08580	0.7
121.06482	5.6
122.06000	1.4
123.04434	0.7
123.07996	0.6
124.07529	1.0
127.03901	0.7
128.52100	0.4
129.10234	0.8
130.08600	0.8
131.04866	0.7
132.02939	0.6
133.02844	3.4
133.08546	1.0
134.04465	13.4
134.05975	0.6
135.04393	2.1
135.08008	0.6
136.05150	1.3
136.07558	1.8
137.05930	3.1
138.72751	0.4
140.07054	0.7
145.02800	1.3
145.04834	0.5
146.03616	0.4
146.05978	2.9
147.04300	0.8
147.07988	0.9
147.10120	0.7
149.05946	7.5
150.06746	3.6
151.07524	9.5
154.08627	0.8
160.05228	0.6
161.05952	35.9
162.05257	0.4
162.06421	0.6
163.07495	1.0
165.05443	1.9
165.06958	1.7
165.11221	2.6
173.09233	0.5
175.07527	3.8
175.13263	1.4
176.06984	0.4
177.05443	7.5
177.06816	0.3
179.06982	1.3
179.08447	0.7
181.06436	0.6
188.04610	0.8
193.06470	3.9
194.07039	0.5
197.09561	0.4
201.08620	0.5
203.06995	100.0
204.07420	2.2
208.05998	0.5
209.05759	0.4
210.06700	1.9
211.07558	0.4
218.76317	0.3
221.05925	5.4
223.15332	1.1
224.08156	1.6
225.09070	4.0
226.09854	0.4
227.07094	0.7
235.07425	0.4
238.06265	0.5
239.07114	0.4
239.10619	1.0
240.10341	0.4
250.06909	0.8
251.07393	0.3
252.07753	1.3
253.08569	4.9
255.06572	0.7
259.07388	0.5
260.10339	0.8
263.06659	0.5
267.10138	5.1
268.08160	2.8
270.09332	1.1
272.09186	0.9
280.13501	0.8
281.19540	14.3
285.11157	14.3
286.11011	0.5
290.10275	0.4
294.08713	0.4
295.09528	0.8
298.09186	5.3
299.13000	0.4
309.11093	1.0
312.09787	0.6
315.04840	0.8
318.09589	1.0
327.12204	15.0
328.12436	0.6
328.55682	0.4
336.10663	0.9
362.19037	0.4
396.14401	0.6
406.30353	0.4
416.68033	0.8
437.18982	0.6
460.14206	2.9
460.26828	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.7
55.01864	0.7
55.05505	1.0
57.03437	0.7
59.04996	0.4
60.04528	0.4
67.05489	1.4
69.03414	2.3
69.07043	1.3
70.06583	3.0
70.52562	0.8
70.52954	0.8
71.04990	1.0
72.08138	3.4
73.02903	1.0
73.06531	1.3
74.06080	0.4
75.36991	0.3
79.05484	1.4
81.03400	1.9
81.07041	1.6
83.04951	1.1
83.08622	0.4
84.04473	0.8
84.08119	2.0
85.02881	4.4
85.06500	0.9
86.09687	4.6
87.00797	0.7
87.04450	7.2
88.03916	0.5
89.06011	100.0
91.05451	1.5
91.07592	0.7
93.07039	2.4
94.06542	0.5
95.04952	1.7
95.08589	1.7
97.02863	2.2
97.06506	0.4
99.04427	1.4
99.08070	5.6
100.07593	0.9
103.03886	1.1
105.01855	0.8
105.07019	1.9
107.04939	0.9
107.07046	3.7
107.08544	2.3
109.02863	1.6
109.06491	0.6
109.10134	1.6
110.07137	0.7
111.08071	0.7
112.07542	0.5
113.02332	0.5
117.09116	0.8
119.04907	0.5
119.08546	1.6
120.08089	0.5
121.06476	0.4
121.10113	1.0
122.02692	0.5
123.04405	0.7
123.06759	0.5
123.11674	0.6
124.07583	1.1
125.09634	0.5
127.03889	3.0
129.06992	0.4
129.10202	1.0
130.08601	1.7
131.04854	0.4
131.07036	1.7
131.08521	0.8
132.05293	0.3
133.08577	55.2
133.10176	1.7
134.02750	0.4
135.08060	0.5
135.10088	0.5
135.11682	2.0
137.05937	1.2
137.09578	1.4
138.09090	0.5
139.07599	0.4
140.07005	0.8
141.01790	0.5
141.04277	0.4
143.08316	0.4
145.04922	1.2
147.04344	0.6
147.11574	0.8
151.07492	0.6
151.20436	0.3
153.05417	1.0
155.10651	0.5
161.05968	0.9
163.06227	0.4
163.07538	1.1
163.11086	0.7
165.09032	0.7
167.06981	1.5
175.09621	1.1
175.14815	0.8
177.05466	1.0
177.09621	0.9
177.11185	16.4
191.06927	0.5
193.15860	2.9
203.06963	0.7
204.06476	0.7
211.16899	2.4
212.12746	1.0
221.13806	2.3
235.06123	0.4
239.14772	0.7
247.12778	0.5
252.07527	0.4
283.17401	0.8
327.19971	0.6
427.15298	0.4
459.17413	1.3
459.27545	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	459.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59687	1.9
55.01860	6.0
55.05255	3.4
55.05501	33.2
57.03423	3.8
67.05492	31.3
69.03410	3.9
69.07056	10.0
69.24225	24.3
71.04943	2.3
79.05476	30.7
81.07041	31.0
83.04993	10.2
83.08589	14.8
84.79941	2.3
91.05457	28.0
93.07035	19.6
95.04939	4.9
95.08578	11.8
97.06538	2.7
97.10146	29.2
103.05452	10.5
105.07008	23.6
107.04928	6.0
107.08578	17.8
109.06490	3.2
109.10133	6.6
111.04427	2.5
111.08034	3.6
115.05434	5.6
117.06995	36.1
119.08556	17.6
121.06499	4.1
121.10154	8.0
123.07991	2.3
123.70200	2.1
125.09612	26.7
128.06201	4.4
129.06990	19.8
131.04929	3.0
131.08524	24.1
133.06436	4.7
133.10106	6.8
135.08032	10.5
141.06961	8.3
141.93588	2.2
143.08521	10.1
143.22595	2.4
145.06471	11.7
145.10132	7.6
147.08008	5.2
149.09647	4.6
153.09149	2.5
153.41217	2.6
155.08522	11.8
157.06480	5.4
157.10112	5.8
159.08081	5.2
159.11684	3.7
165.06943	2.4
165.09142	2.4
167.08583	3.6
169.10098	5.9
171.08020	2.7
171.10197	2.3
171.11650	3.8
173.13264	2.8
179.08542	2.3
187.14743	9.8
189.11160	15.6
195.11716	3.3
197.13210	14.6
209.13184	3.1
213.12663	2.9
215.14255	54.5
223.11191	3.1
224.92676	2.3
227.12732	23.5
233.15361	3.7
251.14259	2.8
255.13945	2.2
269.15329	2.5
271.17007	6.0
287.16306	2.6
339.23154	2.3
349.21500	11.2
367.22662	24.9
385.23755	21.7
403.24786	8.3
423.25519	2.3
441.26331	45.2
442.26294	2.0
459.27325	100.0
460.27661	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	459.273
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31335	1.3
53.03929	5.6
55.01861	10.1
55.05500	59.0
57.03430	7.0
58.49021	1.2
59.04981	2.6
64.68863	1.2
65.03923	3.8
67.05492	40.8
69.03405	13.7
69.07044	12.7
69.41328	9.2
69.41743	2.4
69.69132	1.3
71.01342	1.5
71.04964	5.7
75.04446	1.7
77.03912	1.6
79.05477	61.9
81.03386	4.5
81.07046	37.1
83.04966	81.9
83.08120	2.6
83.08599	26.1
85.02892	7.6
85.06514	3.4
89.51454	1.4
91.04887	3.4
91.05463	66.6
93.03415	2.9
93.07027	76.6
95.04952	14.3
95.08588	22.5
97.02881	2.6
97.06521	3.6
97.10152	40.9
99.04420	2.6
103.05444	27.5
105.03407	3.1
105.04481	2.2
105.07010	42.4
107.04929	6.2
107.08572	34.5
109.06474	6.5
109.10131	12.2
111.04414	46.0
111.08074	4.1
115.05444	9.9
116.06210	2.2
117.06994	55.9
119.08556	50.7
121.06491	6.8
121.10116	35.4
123.08059	7.0
123.11703	2.2
125.09606	39.0
128.06195	7.4
129.05441	4.5
129.06976	26.4
130.07784	1.9
131.04900	19.7
131.08543	48.3
133.06459	10.5
133.10106	9.3
135.08018	13.9
135.11668	2.5
137.09607	5.4
141.06958	12.3
142.07767	2.9
143.04854	2.1
143.08528	14.6
144.09326	1.7
145.06465	13.0
145.10107	15.3
147.08002	19.4
147.11681	3.4
149.09581	21.2
153.06987	3.1
153.09076	3.4
154.07797	2.0
155.08525	20.8
157.06525	5.1
157.10101	8.2
159.08032	7.5
159.11626	7.7
160.08835	1.4
161.05992	3.8
161.09622	2.6
163.07544	2.7
163.11302	1.7
165.07024	1.9
165.09103	9.5
167.08504	4.6
168.09341	2.1
169.10091	13.8
171.08083	5.5
171.10179	2.8
171.11687	10.4
173.09618	3.6
173.13234	3.5
175.11162	3.5
179.08458	1.9
181.10120	4.9
183.07986	2.4
183.11720	4.3
185.09587	3.6
185.13268	4.8
187.11203	3.3
187.14780	17.2
189.11191	25.1
189.12639	1.3
193.10197	2.9
195.11690	6.1
197.13202	19.5
199.11150	4.1
201.12740	2.4
207.11754	2.8
209.13272	3.1
211.11316	1.6
211.14862	2.5
213.12703	6.4
215.14276	79.9
216.14728	1.6
217.12262	1.5
221.13257	2.7
223.10992	2.4
225.12645	1.9
227.12715	34.0
231.13751	3.3
233.15253	1.9
237.12753	2.3
239.14246	1.6
241.12286	4.9
245.13579	2.1
251.14247	2.5
253.16054	2.0
255.13730	1.9
257.15475	1.6
259.09692	2.2
259.13318	1.6
267.17413	2.1
269.15399	2.1
271.16913	6.6
277.14185	13.2
285.18497	3.2
289.17972	2.7
295.15131	2.5
321.22147	2.9
339.23093	4.6
349.21625	14.4
357.24277	2.5
367.22601	36.5
385.23599	23.1
403.24826	6.8
418.48743	1.9
423.25009	1.7
441.26337	78.2
442.26703	3.9
459.27429	100.0
460.27731	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	459.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02399	0.9
53.03940	6.3
55.01856	3.8
55.05260	1.5
55.05503	24.2
57.03416	2.1
65.03925	2.9
65.18229	0.8
67.05492	7.8
69.03417	7.8
69.07053	1.4
70.79710	2.9
71.04984	2.4
75.08965	0.8
79.05479	27.5
81.03380	1.9
81.07037	8.6
83.04967	100.0
83.08600	1.1
84.05270	1.1
85.02888	5.8
91.04894	2.5
91.05465	51.6
92.99123	0.9
93.03396	1.9
93.07026	82.4
94.07355	1.1
95.04958	12.8
95.08593	12.6
97.06527	1.7
99.04436	3.7
103.05460	4.8
105.03403	1.1
105.04482	1.5
105.07013	18.6
107.04945	3.5
107.08563	18.2
109.06503	3.4
109.10130	2.7
111.04424	64.3
111.08040	1.2
115.05424	1.9
116.06196	1.1
117.06980	10.6
119.08560	53.7
121.06483	6.2
121.10123	46.8
121.11015	1.9
123.04449	1.0
123.08032	4.9
125.05905	1.0
128.06203	2.3
129.05452	5.3
129.06967	8.2
131.04901	5.0
131.08557	12.0
133.06441	2.2
133.10098	3.9
135.08005	3.7
137.05934	1.8
137.09586	4.0
139.07585	1.0
139.11136	1.2
141.07004	1.1
143.08499	5.1
145.06456	2.4
145.10088	5.4
147.08026	24.6
147.11678	1.1
149.09598	21.7
155.08525	1.9
157.10129	4.5
159.08026	4.1
159.11636	2.8
161.05936	3.3
161.09590	2.6
163.07504	2.0
165.06996	1.4
165.09091	9.6
169.10062	3.1
171.08018	1.9
171.11665	3.9
173.09564	2.7
173.13245	1.1
175.11198	1.4
177.09119	1.0
181.10124	1.3
183.11708	2.3
185.09578	1.2
185.13272	3.0
187.11214	1.6
187.14804	1.8
189.12735	1.1
195.11664	2.2
197.09566	1.1
197.13293	1.0
199.11192	2.2
209.13260	1.5
211.11203	1.2
211.14769	1.5
213.12650	2.7
225.12729	1.1
231.13817	1.9
239.10764	1.0
239.14328	1.4
239.17982	2.7
241.12241	1.0
267.17426	4.8
277.14264	19.0
285.18335	3.1
293.13593	1.5
295.15463	3.5
313.17874	3.2
331.19077	2.0
335.92062	1.1
435.88431	1.0
441.22696	3.0
454.82700	1.2
459.22803	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	0.6
54.70538	0.5
55.01860	0.7
55.05492	2.4
57.03420	1.9
57.07048	0.8
61.02903	0.9
67.05494	4.0
69.03415	4.0
69.07051	3.0
70.97067	1.3
71.04984	1.5
79.05485	1.3
81.03397	2.4
81.07041	5.1
83.04960	1.7
83.08604	2.1
85.02890	6.8
85.06500	0.7
87.00815	3.1
91.05468	0.8
93.07016	3.4
95.04923	0.8
95.08588	12.0
97.02879	2.3
97.06503	1.4
99.04436	1.7
105.01826	1.6
105.07019	2.1
107.08560	5.6
107.52633	0.5
109.02842	2.3
109.06483	2.4
109.10134	18.8
111.08054	8.8
119.08560	10.8
121.10112	5.8
123.08053	9.6
123.11668	3.9
125.09570	1.0
127.03915	5.0
127.11152	0.7
131.08551	0.6
133.10103	9.9
135.11674	11.8
137.09596	23.0
137.13231	1.4
138.10300	2.1
139.11107	1.1
145.04970	1.1
145.57516	0.6
147.11630	1.4
148.66002	0.5
149.13254	3.9
151.11128	1.3
151.14806	2.1
159.02878	1.3
165.12752	2.9
165.16425	1.3
175.14798	19.0
193.15848	16.0
211.16898	100.0
212.17320	3.7
293.55536	0.7
441.20746	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.3
53.03935	6.0
53.49345	0.9
55.01865	2.1
55.05503	22.8
56.68707	0.8
57.03417	2.4
62.41071	0.7
65.03927	2.0
67.05491	8.4
69.03417	7.1
69.07043	1.2
70.88926	1.3
70.89275	2.1
71.04987	3.0
77.03896	1.5
79.05482	29.6
81.03394	2.2
81.07043	7.7
83.04967	100.0
83.68707	0.9
85.02882	7.7
91.05466	51.5
93.03426	1.9
93.07027	84.8
94.07337	1.0
95.04953	13.9
95.08588	13.2
97.02871	1.1
97.06441	0.9
99.04436	4.7
103.05459	2.2
104.06240	1.0
105.03380	1.0
105.04505	1.3
105.07012	18.2
107.04948	2.9
107.08562	16.8
109.06500	3.1
109.10172	3.0
111.04425	62.0
111.08041	1.4
113.06009	1.2
115.05444	3.2
117.07014	11.8
119.08565	49.4
121.06503	6.6
121.10121	45.6
122.10481	1.3
123.04424	1.0
123.08051	4.2
123.11685	1.1
125.09529	0.9
128.06186	2.9
129.05486	5.6
129.06990	7.7
131.04855	0.9
131.08554	9.8
133.06529	1.2
133.10083	5.0
135.08022	3.9
137.06027	0.9
137.09624	4.5
139.11186	1.7
143.08542	4.4
145.06566	1.5
145.10107	4.5
147.08018	27.1
147.11633	2.0
149.05983	1.0
149.09593	21.3
149.13385	1.1
151.07582	1.3
153.06967	1.0
155.08566	2.4
156.09375	1.1
157.06456	1.1
157.10086	3.6
159.08037	2.0
159.11656	3.0
161.05894	1.1
161.09584	3.5
161.13097	0.9
163.07516	2.2
165.09070	10.7
167.08652	0.9
167.10672	1.8
169.10080	2.6
171.08022	2.0
171.11710	2.8
173.09578	2.8
173.13248	1.3
175.11154	1.7
177.09198	1.0
181.10057	1.2
183.06552	1.2
183.11658	2.1
185.09569	1.2
185.13254	3.2
187.14861	1.7
189.09106	1.2
189.12698	1.2
191.10643	2.1
195.11606	1.9
197.13260	1.7
199.11157	2.5
211.14874	1.6
213.12666	2.2
215.10727	1.3
215.14326	0.9
217.12149	1.2
239.17856	2.0
249.16263	1.6
259.13300	1.8
267.17468	4.9
277.14288	19.4
278.14841	0.9
285.18491	2.9
293.13687	1.2
295.14932	4.3
313.18063	2.2
358.05014	1.0
385.23508	1.3
441.22568	3.6
459.23386	8.1
484.54001	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.8
55.01859	1.8
55.05503	3.3
57.03415	1.6
57.07054	0.6
59.04986	0.6
61.02898	0.9
62.55995	0.4
67.05489	4.1
68.99794	0.8
69.03418	6.6
69.07052	3.6
69.57423	3.1
70.90853	0.4
71.04970	3.7
71.42669	0.4
73.02900	1.9
77.03957	0.5
79.05473	3.9
80.32873	0.4
81.03407	5.6
81.07038	12.1
83.04949	1.4
83.08611	1.5
84.08148	0.6
85.02887	15.4
85.06521	1.3
86.06050	0.8
86.09694	0.6
87.00804	7.4
91.03978	0.5
91.05459	6.4
93.07017	7.1
95.04933	1.3
95.08585	16.5
97.02867	6.2
97.06527	0.8
99.04391	2.5
99.08072	10.7
100.11188	0.5
103.05436	0.5
105.01841	6.1
105.07003	11.2
105.07671	0.8
107.08569	12.5
109.02871	4.4
109.06509	0.9
109.10128	5.2
111.04369	0.6
111.17196	0.5
113.09621	2.2
115.05446	0.5
117.01826	0.9
117.06984	1.5
119.08556	55.7
120.08835	0.8
121.06539	0.7
121.10132	2.1
123.11662	4.3
127.03893	8.9
128.06163	0.5
129.01859	1.1
131.08569	1.0
133.10100	82.7
134.10440	2.0
135.08072	0.9
135.11662	21.5
137.09604	3.3
145.04930	3.8
145.10095	1.5
146.10844	0.5
147.04355	0.6
147.07991	0.6
147.11618	3.6
149.13196	0.7
151.07518	0.5
155.10599	2.5
159.02834	3.1
160.12428	0.7
165.09109	2.0
173.13255	0.8
175.14784	100.0
176.15161	3.1
193.15839	22.2
211.16884	17.4
212.17253	0.7
231.04858	1.8
249.18655	0.9
459.22122	0.9
469.90005	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	4.7
55.01855	2.4
55.05254	1.5
55.05500	19.4
57.03430	11.8
59.04974	1.9
61.02919	1.2
65.03917	3.4
67.05492	9.2
69.03417	31.2
69.07034	4.8
69.68815	1.1
70.06577	1.9
71.01345	6.2
71.04983	51.3
71.14038	1.2
71.25465	2.4
73.02900	4.2
75.04461	7.1
79.05054	1.9
79.05477	25.4
79.90450	1.1
81.03386	4.4
81.07047	14.2
83.04968	68.6
83.08583	2.3
84.04465	1.8
84.05298	1.5
84.08131	2.7
85.02888	80.4
85.06477	1.1
86.09674	1.7
87.04436	3.2
91.05464	40.8
93.03387	1.7
93.07026	100.0
94.07350	2.3
95.04958	14.0
95.08589	14.7
97.02866	3.8
97.06525	2.5
99.04425	8.0
101.05985	1.2
103.05438	4.4
105.04492	1.7
105.07013	22.9
107.04947	3.0
107.08574	19.6
107.14749	1.0
109.02825	1.3
109.06490	6.0
109.10127	8.5
111.04423	50.2
111.08060	8.7
113.05968	2.2
115.05428	2.8
116.06255	1.5
117.06987	9.3
119.04898	1.1
119.08563	39.6
121.06487	4.7
121.10120	68.8
122.10480	1.9
123.08038	4.1
123.11670	4.5
125.05984	2.0
127.03894	2.4
128.06171	2.4
129.05460	32.0
129.06929	6.2
130.07770	1.3
130.08627	2.9
131.04871	1.5
131.08542	15.7
133.10106	8.6
135.08011	4.5
135.11647	2.0
137.05966	2.3
137.09599	5.0
137.13211	1.6
139.11165	5.2
141.06958	2.0
142.07797	1.1
143.08528	7.4
145.06425	2.5
145.10042	7.0
147.06693	2.2
147.08017	16.3
147.11630	2.0
149.06003	1.5
149.09604	21.0
151.07516	2.0
151.11134	2.4
155.08473	2.2
157.10103	5.9
159.07986	3.4
159.11679	4.0
161.05949	1.2
161.09584	4.7
161.13216	1.7
163.07521	2.2
163.11188	1.7
165.09082	36.8
167.07037	2.4
167.08524	2.4
167.10617	10.8
169.06346	1.0
169.10094	2.7
171.08075	1.6
171.11655	3.7
173.09547	3.8
173.13170	2.3
175.07565	1.5
175.11150	3.2
177.09111	1.6
181.08589	1.1
181.10042	2.3
183.06502	1.7
183.11592	2.4
185.09654	1.5
185.13177	2.6
187.11121	2.1
187.14767	1.9
189.09082	2.2
189.12750	1.2
191.10667	2.1
193.08571	1.4
195.11647	1.2
197.09613	1.4
197.13165	2.3
199.11151	2.0
201.09128	1.6
201.12788	1.7
203.10622	2.2
205.12103	1.9
209.08015	1.8
211.14836	2.5
213.12677	3.1
213.16190	1.8
215.14201	1.9
217.12061	1.9
231.13765	2.7
233.15450	1.2
239.14314	1.8
239.17860	2.3
259.13199	2.3
267.17319	4.2
269.19183	1.7
275.12891	2.7
277.11407	1.2
277.14072	5.2
285.18375	3.3
293.13739	5.4
295.15186	19.1
313.16690	4.1
330.15872	1.3
344.17758	1.4
372.16803	1.4
384.13150	1.7
385.13934	1.6
399.15536	2.7
400.16223	9.8
413.22784	1.3
423.20480	1.9
441.22159	3.9
459.16946	8.0
459.22803	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	459.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97502	0.3
55.01850	0.8
55.05483	0.8
56.05015	1.1
56.05926	0.3
57.03425	0.6
59.04964	0.9
61.02899	0.3
65.03881	0.3
67.05476	0.7
69.03429	1.9
69.03738	0.5
69.07029	1.1
70.06239	0.4
70.06576	4.8
71.01338	0.2
71.02685	0.3
71.04961	0.5
71.54044	0.5
72.08144	2.7
73.02890	0.3
74.06071	1.5
79.05480	0.7
81.03389	1.1
81.07019	1.1
83.04965	0.4
84.04485	1.2
84.08147	1.4
85.02882	3.8
85.06518	0.6
86.09683	2.9
87.00800	1.1
87.04430	0.4
88.02223	0.3
88.03949	0.5
90.57114	0.3
91.05445	0.7
93.07018	1.4
95.04932	0.9
95.08551	1.5
97.02856	1.1
99.04386	0.7
99.08074	6.6
100.07568	0.6
102.05511	0.5
105.01843	0.7
105.07031	0.5
107.04911	0.3
107.08556	1.0
109.02825	1.8
109.05095	0.8
109.06490	0.4
109.10110	1.6
110.07167	0.6
115.03938	0.3
116.07066	0.4
117.05458	0.6
118.65733	0.3
119.08522	0.9
120.06547	1.5
121.06470	0.4
121.10132	0.5
122.06040	0.4
123.04412	0.3
123.08009	0.4
123.11706	0.4
124.07566	0.3
127.03876	2.7
129.10220	0.4
130.04913	0.4
130.08617	0.5
133.10057	1.1
134.04596	11.0
135.02992	0.5
135.04449	0.4
135.11659	1.7
137.05876	0.4
137.09584	1.0
140.02702	0.6
141.01811	0.4
145.04912	1.0
147.04337	0.6
147.11719	0.3
149.99878	0.7
152.05656	2.2
153.09090	0.3
154.08586	0.3
155.10626	0.4
156.07579	0.4
159.02925	0.6
161.05890	0.6
164.07027	0.4
165.02284	8.5
167.02551	0.9
167.07066	0.4
171.14938	0.6
175.14792	1.3
177.05420	0.7
178.03497	1.0
182.04921	82.0
183.03336	0.6
183.05145	1.0
191.10681	0.5
193.00537	0.8
193.15822	2.5
197.43456	0.3
203.06975	1.5
207.06351	0.4
208.02837	100.0
209.03143	1.4
211.16907	3.1
231.04959	0.6
244.09209	0.3
261.14432	1.1
283.11459	0.3
286.17535	0.4
300.08844	0.3
311.02795	0.4
314.09000	1.5
318.09558	0.4
327.08627	61.1
328.08853	1.3
340.07016	0.7
344.21448	0.3
370.40555	0.3
459.12646	0.4
459.22632	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.1
55.01854	6.3
55.05510	22.8
57.03432	10.2
57.07046	6.8
67.05492	89.6
69.03418	28.3
69.07050	25.9
70.06571	5.3
71.04970	14.7
71.08632	5.3
71.26992	9.2
73.02890	6.7
77.72853	4.3
79.05475	88.9
81.03408	25.9
81.06582	6.7
81.07040	100.0
83.04970	11.7
83.08598	16.7
84.04494	8.7
84.08138	4.6
85.02876	24.9
91.05463	65.1
93.07026	94.3
95.04942	12.9
95.08591	82.2
97.02880	47.2
97.03454	6.9
97.06484	7.5
97.10148	6.2
99.04427	14.4
105.07005	46.2
107.04994	5.4
107.08566	55.4
109.02854	8.3
109.06543	8.8
109.10137	42.8
111.04394	8.2
115.05378	4.6
117.06966	23.5
119.08560	46.1
121.10125	57.7
123.11668	18.5
125.09648	5.6
127.03904	29.1
129.06972	8.2
130.08589	7.8
131.08530	37.6
133.06506	4.8
133.10117	30.8
135.08029	6.0
135.11667	37.8
143.08556	7.7
145.04968	14.5
145.09059	5.3
145.10037	23.7
147.08005	5.8
147.11620	23.5
149.13235	19.2
157.10150	8.0
159.11655	19.3
161.13252	16.8
163.14798	4.7
173.13185	17.0
175.14845	5.5
185.13231	10.6
187.14754	10.5
197.13177	6.9
199.14740	6.8
215.14290	7.9
243.21001	11.7
259.20636	9.8
261.22043	46.0
271.16965	4.7
277.21634	8.9
279.23148	6.8
289.21494	8.4
293.57700	4.5
301.21567	4.7
303.23190	11.1
315.23044	5.3
341.24539	5.7
351.23074	8.5
369.24200	24.9
387.25452	22.6
405.26102	33.0
423.27481	32.2
441.26050	11.4
453.58945	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	10.5
55.01867	17.4
55.05502	9.5
57.03416	7.0
67.05492	50.6
69.03420	35.2
69.07058	15.1
71.04982	13.2
71.08622	5.3
71.53111	4.7
73.02895	9.8
75.40172	3.5
79.05480	37.2
81.03406	38.4
81.07048	60.2
83.04955	5.1
83.08598	9.3
85.02882	12.9
91.05450	25.8
93.07027	49.5
95.04939	7.7
95.08593	53.1
97.02872	40.1
97.10168	3.8
98.03671	3.8
99.04429	78.0
101.02348	6.6
105.07015	18.8
107.08565	23.4
109.02865	37.1
109.06467	4.3
109.10152	25.6
111.04390	7.9
111.11686	4.1
117.06983	8.8
119.08552	14.4
121.10111	29.8
123.11675	13.8
127.03892	100.0
131.08525	14.7
133.10103	11.7
134.55769	3.7
135.11656	16.9
142.62755	3.4
145.04944	19.4
145.10088	9.2
147.11690	9.3
149.13249	9.7
159.11691	11.4
161.13219	10.6
173.13252	6.4
187.14870	4.1
243.21101	5.5
259.20612	5.6
261.22052	26.2
277.21594	9.9
279.23172	6.5
281.62909	4.0
369.24292	4.7
387.25223	5.0
405.26410	9.1
423.27313	48.9
458.30423	4.6
458.37317	6.9
459.24606	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	458.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	16.9
55.01852	6.5
55.05500	27.7
57.03428	6.9
64.97230	5.1
67.05494	95.2
69.03416	52.7
69.07050	31.6
71.04979	12.6
71.08591	5.9
71.54385	7.2
79.05475	69.6
81.03399	91.6
81.07042	100.0
83.04958	16.5
83.08606	21.9
84.04491	10.7
85.02885	46.9
87.04435	6.7
89.05994	5.5
91.05465	52.1
93.07019	91.5
95.04943	16.5
95.08587	77.8
97.02881	55.9
97.06506	5.8
97.10177	5.9
99.04433	13.2
105.07008	51.1
107.04898	5.0
107.08572	47.0
108.04498	9.3
109.02896	31.4
109.06490	10.5
109.10139	46.2
111.04424	11.2
113.96377	4.9
115.03912	7.6
117.07015	27.8
119.04887	5.3
119.08559	46.8
121.06516	8.0
121.10119	61.4
123.04438	6.0
123.08007	6.6
123.11701	16.0
127.03883	26.6
129.06967	10.3
130.04971	6.7
131.08533	33.8
133.06477	6.0
133.10103	38.4
135.08084	7.4
135.11694	27.7
137.09648	5.3
143.08560	14.1
145.04927	7.3
145.10074	34.0
147.08061	5.7
147.11664	27.2
149.13239	21.5
155.08505	9.0
157.10161	8.4
159.11682	32.1
161.13260	17.5
163.14795	8.8
169.10080	6.6
171.11693	13.2
173.13200	27.7
183.11684	5.9
185.09523	5.9
185.13229	11.3
187.11412	5.2
187.14749	13.1
195.11665	7.1
197.13272	6.5
199.14691	6.9
201.12817	5.9
213.12778	7.5
223.14873	5.7
243.21080	10.1
259.20581	7.6
261.22028	27.2
271.20377	6.4
273.22037	11.0
277.21548	9.9
289.21490	9.7
301.21457	10.2
303.23120	21.2
315.23254	7.3
323.23462	5.2
341.24646	10.1
351.23160	12.3
369.24402	34.5
369.28583	8.0
387.25211	31.1
405.26300	45.6
419.03720	5.8
423.27322	18.3
457.81082	16.8
458.31104	9.3
458.37076	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	458.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
55.01862	1.1
55.05484	0.8
57.03412	0.5
57.74113	0.5
59.04965	0.6
61.02890	0.8
67.05489	1.3
69.03416	2.4
69.07050	0.9
70.06577	1.7
71.04976	1.0
72.08125	0.9
73.02890	0.8
75.04465	3.8
79.05470	3.3
80.03985	0.5
81.03392	2.0
81.07030	1.1
83.04951	0.7
84.08113	1.3
85.02891	6.5
86.06042	1.0
86.09706	3.7
87.00790	1.0
87.04441	2.4
89.06010	0.9
91.05479	2.2
93.07024	2.0
93.07548	0.5
95.04949	1.1
95.08582	1.8
96.08980	0.5
97.02858	2.2
98.06017	2.0
98.21615	0.8
99.04430	1.2
100.07610	0.6
101.05962	0.7
103.05445	1.2
105.01855	1.4
105.07011	19.3
106.07335	0.7
107.08559	1.0
109.02855	1.6
109.06483	1.0
109.10106	0.8
111.04355	0.5
116.10687	0.8
117.05722	0.8
117.51859	0.4
117.78883	0.6
119.08567	3.3
120.08864	0.7
121.06524	0.7
121.10112	1.0
123.08042	3.6
127.03887	2.9
128.04216	0.7
130.06522	1.0
130.08600	3.9
131.07283	15.5
132.08066	14.4
132.08890	0.4
133.06511	0.5
133.07578	1.3
133.08545	0.7
133.10107	1.9
134.10487	0.9
137.05978	0.7
137.09537	1.1
144.08037	2.7
145.04959	0.9
145.08856	5.3
145.09987	0.9
146.09615	100.0
147.04288	0.5
147.09946	1.4
147.11647	0.5
149.09592	5.0
150.09938	2.5
151.07457	0.6
151.11168	0.8
158.09608	10.6
159.02882	0.8
159.10378	1.1
160.07564	5.0
160.11182	39.3
161.05959	0.5
161.08330	0.8
162.09067	0.9
162.12729	0.7
165.12695	0.7
167.07054	0.9
172.07555	1.8
173.13242	1.1
174.13614	0.6
175.07478	0.5
175.09834	0.9
175.14879	0.9
176.07095	0.9
187.07437	0.7
188.10670	6.5
190.12242	4.8
191.09503	0.6
191.14279	1.4
192.10150	18.0
192.13631	3.3
193.10472	0.5
206.11723	2.0
207.37636	0.5
209.15303	1.4
210.15627	2.0
218.11726	5.9
220.13217	2.7
236.12764	2.6
246.11273	3.3
248.12741	2.0
250.14352	13.0
250.16934	0.7
264.12262	20.6
264.15112	1.0
278.13821	92.5
279.14221	2.1
296.14874	19.8
308.57654	0.5
339.12036	0.7
351.12088	0.8
407.38718	0.5
426.17590	0.7
458.30206	0.8
458.76321	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96535	3.3
70.06580	9.1
71.18499	5.6
73.41151	2.6
82.06573	3.7
83.62461	2.3
84.08127	25.0
86.23530	2.3
86.26124	2.5
88.13636	2.5
94.93005	2.5
100.07574	3.5
114.89320	10.3
116.04694	4.8
116.07050	12.4
130.08611	31.4
146.08118	7.2
153.47096	2.6
153.76302	2.6
160.03641	7.2
160.08066	2.7
168.04170	46.1
168.06317	11.2
176.93362	2.9
184.03683	100.0
186.04381	5.4
204.05405	3.4
222.06392	3.9
237.90854	2.9
251.97166	8.0
252.96790	20.8
269.09683	4.3
279.70276	2.9
287.10767	4.0
313.11935	2.7
329.09958	3.8
331.12097	10.4
347.11649	10.2
349.14749	13.4
458.11615	20.1
458.19232	8.6
477.72278	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	458.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	3.4
55.05499	3.9
57.03407	4.3
59.04978	6.4
66.98238	1.7
69.03419	2.7
69.31288	1.6
69.31599	15.0
70.06572	4.8
73.02905	45.8
74.02438	1.6
74.94933	1.4
75.04455	4.1
79.05448	3.8
81.03398	2.4
81.07035	2.9
82.06569	14.5
84.08112	2.0
85.02887	5.3
86.09689	3.1
87.04460	2.5
89.06001	5.7
91.37855	1.4
93.07036	2.5
95.08556	1.5
98.06062	1.4
99.04443	2.7
103.03931	8.5
105.07022	19.3
107.08572	1.9
113.05994	9.8
117.05626	1.5
119.08556	3.3
123.08078	3.8
128.07057	11.0
130.08633	4.9
131.07069	35.8
131.08517	2.5
132.08096	9.3
133.08571	3.0
133.10127	3.3
135.08009	1.6
144.08047	1.9
145.08817	4.9
145.09956	1.9
146.09624	100.0
147.06543	1.5
147.09953	1.8
155.79742	1.7
158.09570	10.2
160.07568	2.9
160.11195	36.2
161.08334	1.8
175.07466	2.1
188.10623	4.2
189.11232	7.4
190.12213	4.2
191.01402	1.5
191.09317	2.0
191.14276	2.1
192.10167	10.4
192.13812	2.4
207.12244	3.5
210.15945	1.5
218.11722	6.7
220.13300	3.3
235.11751	2.4
246.11319	3.3
248.12737	1.8
250.14331	13.0
253.12718	2.7
264.12183	9.0
278.13824	96.6
279.14166	1.9
296.14835	10.9
458.30637	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	458.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.8
53.77157	0.2
55.01867	0.4
55.05495	1.2
57.03416	0.5
57.07061	2.8
57.15754	0.3
59.04989	0.3
61.02917	0.4
65.40355	0.3
67.05476	0.8
69.03411	2.8
69.07040	1.6
70.04061	100.0
70.06564	0.5
71.01369	0.4
71.04979	1.1
71.52121	0.3
73.02892	0.8
79.05478	1.2
80.81647	0.3
81.03409	2.0
81.07045	1.2
83.04966	2.9
83.08595	0.6
85.02883	5.4
91.05469	2.2
92.05779	0.4
93.07028	3.9
94.07355	0.6
95.04955	1.1
95.08599	1.2
97.02861	3.1
97.06487	0.4
99.04419	1.4
99.08071	13.2
105.07018	0.9
107.08571	1.1
109.02863	3.9
109.06496	0.6
109.10133	0.5
111.04419	1.6
111.08095	0.4
115.03892	0.6
117.06960	0.3
117.09116	2.9
119.08566	2.5
120.08089	0.3
120.08874	0.5
121.10109	2.5
122.10474	0.5
123.04444	0.7
125.02321	0.4
127.03890	4.1
129.05489	0.8
129.06979	0.5
131.08574	1.1
133.10132	0.9
134.10416	0.3
135.08109	0.4
137.09668	0.4
141.01016	0.4
143.08542	0.6
145.04930	0.5
145.10127	0.5
147.08057	1.0
147.11656	0.4
149.02339	0.5
149.09624	1.0
155.08537	0.4
157.10115	0.4
159.10146	0.6
161.09587	0.4
165.09172	0.6
167.02484	0.3
173.13197	0.4
173.26842	0.2
179.10669	0.3
183.10147	0.6
183.11650	0.3
188.11328	0.3
195.10138	2.0
209.07301	0.5
209.13254	0.3
225.11130	1.6
227.08301	5.1
243.12119	1.5
246.15622	0.3
249.18608	0.3
261.13300	1.0
295.15277	0.4
299.10559	0.3
349.40356	0.3
366.18820	0.6
441.51413	0.3
458.16727	0.4
458.23251	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12430	1.1
53.05439	1.1
54.48057	1.0
56.05009	1.2
58.99564	3.5
64.98535	1.3
65.03913	1.4
67.05492	5.4
67.38644	1.0
68.05015	2.7
69.03402	1.3
70.02933	1.2
70.06581	10.0
70.53429	3.5
72.08137	4.2
74.00684	1.4
74.06063	1.3
76.02208	8.4
78.12632	1.0
80.04981	1.5
82.06564	4.5
84.04479	4.8
84.08133	7.6
85.02898	4.8
85.08458	1.9
86.00655	10.3
86.99056	2.0
88.02223	1.3
88.03976	5.4
88.11275	6.0
91.05462	4.2
91.86577	1.1
92.04980	2.2
93.07025	2.6
94.06548	7.7
95.04967	2.3
96.04479	13.2
96.80618	1.3
97.01139	1.3
97.02894	2.2
98.06058	1.3
99.01414	2.2
100.02185	5.5
100.07595	1.2
103.05467	4.1
105.00108	1.7
108.04447	2.4
108.08108	1.3
109.07619	2.4
110.06030	17.6
110.06827	1.4
110.07121	1.9
114.03744	1.5
116.07068	2.5
119.04940	1.8
120.01138	2.2
120.04431	3.6
120.08086	77.5
121.08437	1.3
122.02704	2.5
122.06006	40.4
123.02589	1.3
123.04436	1.1
123.06301	1.6
124.07584	8.8
125.00579	1.4
125.07122	2.0
126.03653	2.2
127.03931	2.2
130.05002	3.6
130.08598	6.1
131.04913	2.8
131.06984	1.1
132.01131	11.7
134.05975	4.0
136.07559	72.2
137.05975	2.0
137.07059	11.1
137.07980	1.7
138.00090	2.1
138.05473	18.0
140.01631	27.9
140.07045	3.9
142.03195	9.5
145.02831	2.1
145.04997	1.9
146.02673	10.0
146.05991	1.7
146.08063	2.7
147.04379	5.2
148.03828	1.7
148.07622	1.4
149.05966	2.6
149.07068	1.4
150.03728	3.1
150.05487	2.8
152.01672	3.2
152.07008	3.1
154.03220	2.8
154.08601	2.3
161.07097	4.2
162.02170	4.1
162.05560	2.5
162.07829	2.4
163.03909	4.9
163.08620	2.3
164.07045	52.6
165.07381	1.6
166.03214	3.0
166.04958	4.3
166.08621	43.7
167.06374	3.8
168.04768	1.6
169.04219	1.5
169.20384	1.3
175.75996	1.1
177.05443	3.1
178.03185	1.4
180.08817	2.0
182.08099	36.2
183.05891	3.4
183.08406	1.4
184.00626	9.1
184.06078	2.3
186.09084	1.4
194.02702	2.5
195.05840	25.4
196.04248	1.4
196.05956	1.4
196.07745	1.5
200.10609	1.6
207.07625	3.8
209.09149	1.5
210.09280	1.8
211.05325	1.8
214.08559	2.7
223.05312	3.3
227.11748	3.9
228.10123	2.7
229.06381	17.6
229.09706	1.6
240.08975	1.9
241.06377	54.7
241.09599	3.3
242.06627	2.5
243.11307	3.2
255.11246	15.2
256.09598	15.0
259.07458	100.0
259.10458	5.5
260.07629	1.7
278.10150	2.2
283.10730	5.1
284.09079	3.0
285.12381	1.7
296.11304	1.6
301.11768	20.2
302.10162	32.1
303.10233	1.7
303.13464	2.1
315.07950	2.8
319.12891	20.9
320.11133	7.4
333.09064	6.3
337.13956	5.0
351.10025	3.6
422.13782	7.0
440.14880	26.6
441.13901	1.4
458.16003	22.3
458.22995	2.1
476.73749	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3151
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98985	0.5
53.03943	0.5
55.01859	1.1
55.05500	6.3
55.21605	0.5
55.26962	0.6
57.03414	1.3
57.07071	3.4
59.04963	0.8
67.05494	6.6
67.16379	0.5
69.03410	0.9
69.07051	6.1
71.04977	0.9
71.08607	2.2
71.53329	1.0
79.05480	4.1
81.07040	11.0
83.04959	3.3
83.08623	2.6
84.08160	1.0
85.06536	1.7
85.65905	0.5
87.04435	0.7
91.05478	3.0
93.07022	6.3
95.04965	1.3
95.08592	9.0
97.06492	3.0
97.10157	0.8
99.08078	1.9
105.07006	3.2
107.08569	8.9
109.06505	7.1
109.10149	3.4
111.04425	15.9
111.08074	2.2
119.08558	3.7
121.06487	1.2
121.10117	3.8
122.07310	0.6
123.08046	11.1
123.11671	1.0
125.05978	13.1
129.06979	0.9
130.08609	0.8
131.08545	1.5
133.10069	2.9
135.08031	5.0
135.11652	6.5
137.05945	14.2
137.09613	1.2
137.13223	1.0
139.07541	1.0
145.10060	3.8
147.11665	2.5
149.09613	2.0
149.13226	2.3
151.07487	0.6
153.12691	2.7
155.14369	0.9
157.10121	1.0
159.11667	1.6
161.09601	1.5
161.13217	1.3
163.11165	4.2
163.14769	0.7
165.09067	0.7
165.12785	1.4
167.14262	0.6
173.13293	1.0
175.11115	1.1
175.14847	0.8
177.12744	1.3
179.10733	0.8
179.14278	18.8
181.12189	7.7
182.12901	0.7
191.14397	0.9
193.15913	0.7
195.13773	4.6
197.85312	0.6
201.12740	0.6
201.16418	0.6
203.17900	1.4
205.15868	1.5
205.19336	0.5
207.13551	0.5
221.19008	0.7
231.17505	1.1
233.18909	0.5
249.18423	1.9
263.20065	0.6
266.51663	0.6
275.19937	2.2
277.17856	1.5
291.19592	0.9
303.26776	0.8
305.24860	0.8
313.24905	0.7
319.26532	0.7
331.26254	9.9
347.25864	2.6
349.27322	1.3
351.21603	0.6
367.24600	1.3
400.53284	0.5
405.29901	1.1
417.49405	0.6
423.30972	100.0
424.31424	4.3
430.03531	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.4
55.01855	5.7
55.05498	15.1
55.09680	2.1
57.01543	1.8
57.03427	11.8
57.07044	3.0
57.23364	1.7
59.04989	4.1
60.86374	1.8
61.02901	3.1
67.05494	13.2
69.03417	59.9
69.07053	6.5
69.88300	7.0
69.88706	3.2
71.01335	6.2
71.04977	17.2
72.08125	2.8
72.86320	1.8
73.02895	4.7
75.04454	6.6
79.05472	23.6
81.03406	18.4
81.07040	17.0
82.62703	2.0
83.01323	1.9
83.04962	41.7
83.08606	2.9
84.08130	2.5
85.02890	71.6
85.06510	4.7
87.00793	6.7
87.04445	2.5
91.05461	47.7
93.07025	88.6
95.04947	14.9
95.08591	18.6
97.02883	18.3
97.06505	5.3
97.65452	1.8
99.04441	10.8
101.02338	1.9
101.06027	2.3
103.05446	8.6
105.01870	4.4
105.06998	33.4
107.08564	26.6
109.02843	11.5
109.06494	63.1
109.10133	18.4
111.04412	30.5
111.08044	9.1
111.09264	2.1
113.05980	2.3
117.06982	7.7
119.08556	35.8
121.06478	6.5
121.10118	94.2
123.08048	13.9
123.11666	5.9
125.09656	1.9
127.03905	21.2
129.05455	23.5
129.06950	7.1
130.08679	3.0
131.04897	11.3
131.08536	31.8
133.06430	2.7
133.10106	98.9
135.08017	28.8
135.11649	3.3
137.09583	3.6
139.11159	3.3
143.08557	4.6
144.09282	2.3
145.04979	8.6
145.10094	10.8
147.08022	13.9
147.11665	9.1
149.09595	44.6
149.13231	6.1
151.07483	2.9
151.11169	3.2
153.09064	2.9
157.10088	4.5
158.10890	4.6
159.02850	3.6
159.07964	2.8
161.09575	4.4
162.07597	3.3
163.07576	2.1
163.11211	2.6
163.14832	2.9
165.09096	20.8
167.10648	21.0
171.11577	3.8
173.09616	2.2
173.13220	52.6
175.11139	3.6
183.11662	2.1
185.13268	2.0
189.12794	2.8
191.10599	3.8
191.14265	100.0
197.13365	2.3
203.10805	2.1
205.12140	3.3
209.15335	35.1
213.16327	2.5
215.11763	2.2
231.10025	2.1
253.88120	1.8
256.47433	2.0
277.14334	2.6
295.15320	38.5
436.04010	1.9
457.20828	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	457.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.2
55.01854	5.4
55.05500	6.0
57.03429	4.6
57.07072	1.8
60.04472	1.0
61.02899	3.6
67.05168	1.4
67.05495	18.2
68.99758	2.4
69.03415	21.0
69.07049	8.4
70.06573	10.7
71.04978	9.8
71.55232	1.4
72.08133	3.9
73.02901	5.4
79.05473	6.1
81.03403	19.0
81.07034	12.4
83.04967	5.1
83.08602	14.1
84.04475	1.7
84.08129	3.4
85.02887	43.6
85.06517	4.2
86.09697	6.7
87.00812	14.8
91.03922	1.3
91.05460	9.3
93.07019	8.7
95.04949	17.3
95.08584	9.4
97.02866	11.9
97.06512	10.7
99.04446	9.8
99.08051	2.6
100.07601	7.1
103.03885	1.1
105.01830	11.7
105.07011	12.4
107.04937	2.2
107.08578	14.3
109.02119	1.0
109.02857	17.0
109.06496	15.7
109.10130	80.1
110.07129	0.9
110.10426	1.1
111.08034	1.7
111.11633	1.2
115.03937	1.2
115.05440	1.4
116.06300	0.8
116.07051	1.5
117.01794	2.3
117.06980	5.3
119.04897	2.0
119.08569	6.5
120.08039	2.3
121.06458	3.3
121.10125	10.3
122.88659	0.8
123.04355	1.5
123.08051	5.0
123.11664	3.4
124.07577	2.8
125.09607	1.3
127.03887	30.1
129.01804	1.8
129.06900	1.2
129.12732	1.8
131.04852	1.1
131.08548	15.5
133.02840	2.8
133.04845	1.2
133.06462	1.6
133.10104	35.3
135.08034	23.2
135.08900	0.5
135.11708	1.5
136.07535	2.1
137.05893	2.9
137.09595	1.3
139.11211	1.2
143.08481	2.0
145.04947	10.2
145.06079	1.3
145.10072	5.3
147.02844	1.6
147.04385	1.7
147.08017	1.2
147.11627	5.2
148.07581	1.5
149.05965	1.9
149.09593	5.8
149.13216	6.2
151.07425	1.3
151.11111	2.0
153.09061	3.1
154.08572	1.0
157.13403	2.0
158.10849	4.3
159.02867	8.0
161.05968	1.0
161.09607	1.4
163.07478	1.0
163.11095	1.6
163.14778	3.6
164.06860	0.9
165.12717	3.1
167.07001	2.5
171.11656	1.2
173.13232	33.3
175.03911	1.2
177.05553	1.2
177.09047	1.1
181.12053	1.0
189.03935	1.8
189.12697	1.1
191.14267	100.0
192.14664	1.7
193.15800	2.2
207.06488	0.8
209.07976	1.6
209.15326	32.8
213.03978	1.7
229.15500	1.1
231.04961	4.8
233.15361	1.8
298.28503	1.3
325.10709	2.0
384.20862	1.1
421.18576	1.1
439.19626	2.2
457.15103	1.1
457.21024	6.2
480.66797	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.9
55.01853	3.5
55.05493	2.8
57.03425	2.8
57.07058	2.2
58.47769	0.9
59.04998	1.2
61.02909	0.9
67.05497	7.3
68.99773	1.8
69.03416	9.9
69.07061	5.1
70.05219	4.4
70.06569	2.7
71.04980	7.5
72.08151	1.6
73.02901	2.8
79.05475	7.4
81.03403	7.4
81.07039	9.8
82.06555	2.0
83.04975	2.4
83.08601	2.4
84.08114	3.4
85.02892	17.0
85.06512	5.3
86.06078	2.0
86.09690	3.0
87.00818	8.3
88.03992	1.0
91.05459	6.8
93.07024	10.5
95.04948	6.2
95.08593	9.1
97.02874	7.4
97.06504	5.8
98.21418	1.2
99.04437	3.4
105.01838	6.8
105.07022	14.0
107.04912	1.4
107.08585	15.3
109.02870	6.6
109.06495	100.0
109.10133	28.6
110.07180	1.1
111.04441	1.7
111.08082	4.4
116.10681	3.2
117.07000	3.1
119.08554	5.7
121.06464	2.7
121.10114	10.7
123.08033	12.9
123.11708	1.6
124.07562	3.4
125.05990	1.0
125.09576	1.2
127.03910	11.5
129.06995	2.1
130.08588	1.3
131.08540	15.8
133.06421	1.2
133.10101	13.1
135.08026	39.1
135.11659	2.4
137.05954	1.3
137.09622	2.4
139.11133	2.0
143.08530	2.2
144.09348	1.0
145.04884	4.7
145.10088	5.2
147.04411	1.4
147.08031	1.5
147.11676	4.7
149.09584	5.0
149.13205	1.8
153.01765	4.9
153.09102	4.6
154.02126	1.2
155.02296	1.3
155.10612	1.2
158.10950	2.3
159.02888	3.3
160.85622	0.9
161.09579	3.5
161.13206	1.1
163.11139	2.3
163.14789	1.0
165.09099	3.0
171.11610	1.4
173.13225	20.7
187.14754	1.1
189.12672	1.2
191.14262	78.8
209.15323	53.8
231.04968	2.1
239.14378	1.1
247.16922	1.4
263.12674	1.1
265.31628	1.1
281.13913	1.1
303.04865	1.4
304.05313	2.7
305.05338	4.6
365.11502	0.9
439.20154	1.2
457.06512	4.2
457.25739	5.5
457.31274	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63612	1.4
53.03925	4.9
55.01856	4.0
55.05488	5.5
56.05854	1.5
57.03412	4.5
57.07052	2.2
59.04988	2.9
61.02913	2.4
63.18302	1.0
67.05481	5.0
68.99764	1.7
69.03414	12.8
69.07056	7.7
69.87484	1.0
70.06553	1.9
70.66792	2.4
70.67200	2.3
71.04990	5.7
72.08145	1.2
73.02885	3.8
79.05474	14.7
81.03401	16.3
81.06575	2.3
81.07040	41.7
83.04972	5.6
83.08129	1.0
83.08603	7.0
84.08913	1.1
85.02885	21.9
85.06512	3.7
86.09672	3.1
87.00816	10.1
90.28729	1.1
91.05450	6.8
93.07031	10.3
95.04951	7.1
95.08585	10.1
97.02867	8.0
97.06512	6.0
97.50011	1.1
99.04446	5.7
99.08040	2.7
100.11226	5.0
101.11552	2.7
105.01842	5.5
105.07004	18.3
107.08561	15.5
109.02858	10.7
109.06496	100.0
109.10133	14.8
111.04374	1.4
111.08057	4.3
117.01862	1.5
117.07009	3.6
119.08566	8.8
121.06452	2.5
121.10120	11.9
123.08051	10.6
123.11684	4.3
125.09640	2.6
127.03065	2.1
127.03898	18.2
129.01781	1.7
129.07021	1.9
131.08536	21.5
133.10104	71.9
134.10458	1.9
135.08022	19.9
135.11641	2.7
137.09583	1.5
139.07451	1.6
139.11157	1.9
140.06992	2.0
143.08578	2.9
145.04929	6.4
145.10124	6.9
147.02855	1.4
147.11667	6.1
148.07565	1.8
149.09607	3.3
149.13239	7.7
151.11169	2.2
153.09067	6.5
158.10847	5.7
159.02913	5.8
161.09605	3.5
163.14810	2.4
164.02069	1.2
165.12717	2.1
167.14264	5.5
171.11520	1.3
173.13240	42.0
175.14786	1.2
177.16353	5.2
187.14502	1.3
189.09068	1.2
191.14264	87.6
192.14616	2.6
197.13322	1.1
209.15326	41.3
213.03963	1.2
213.18481	2.9
216.97253	1.4
231.05005	2.9
413.22617	2.3
421.18228	1.9
439.19772	3.4
439.34323	3.0
456.35052	5.0
457.20740	4.2
457.35364	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	457.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63612	1.4
53.03925	4.9
55.01856	4.0
55.05488	5.5
56.05854	1.5
57.03412	4.5
57.07052	2.2
59.04988	2.9
61.02913	2.4
63.18302	1.0
67.05481	5.0
68.99764	1.7
69.03414	12.8
69.07056	7.7
69.87484	1.0
70.06553	1.9
70.66792	2.4
70.67200	2.3
71.04990	5.7
72.08145	1.2
73.02885	3.8
79.05474	14.7
81.03401	16.3
81.06575	2.3
81.07040	41.7
83.04972	5.6
83.08129	1.0
83.08603	7.0
84.08913	1.1
85.02885	21.9
85.06512	3.7
86.09672	3.1
87.00816	10.1
90.28729	1.1
91.05450	6.8
93.07031	10.3
95.04951	7.1
95.08585	10.1
97.02867	8.0
97.06512	6.0
97.50011	1.1
99.04446	5.7
99.08040	2.7
100.11226	5.0
101.11552	2.7
105.01842	5.5
105.07004	18.3
107.08561	15.5
109.02858	10.7
109.06496	100.0
109.10133	14.8
111.04374	1.4
111.08057	4.3
117.01862	1.5
117.07009	3.6
119.08566	8.8
121.06452	2.5
121.10120	11.9
123.08051	10.6
123.11684	4.3
125.09640	2.6
127.03065	2.1
127.03898	18.2
129.01781	1.7
129.07021	1.9
131.08536	21.5
133.10104	71.9
134.10458	1.9
135.08022	19.9
135.11641	2.7
137.09583	1.5
139.07451	1.6
139.11157	1.9
140.06992	2.0
143.08578	2.9
145.04929	6.4
145.10124	6.9
147.02855	1.4
147.11667	6.1
148.07565	1.8
149.09607	3.3
149.13239	7.7
151.11169	2.2
153.09067	6.5
158.10847	5.7
159.02913	5.8
161.09605	3.5
163.14810	2.4
164.02069	1.2
165.12717	2.1
167.14264	5.5
171.11520	1.3
173.13240	42.0
175.14786	1.2
177.16353	5.2
187.14502	1.3
189.09068	1.2
191.14264	87.6
192.14616	2.6
197.13322	1.1
209.15326	41.3
213.03963	1.2
213.18481	2.9
216.97253	1.4
231.05005	2.9
413.22617	2.3
421.18228	1.9
439.19772	3.4
439.34323	3.0
456.35052	5.0
457.20740	4.2
457.35364	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	456.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.9
54.57048	0.8
55.01868	2.2
55.05501	6.0
56.05028	1.7
57.03418	3.8
57.07063	0.9
58.02947	2.4
60.04221	1.1
60.04514	15.3
61.02914	1.2
63.33295	0.8
63.74496	0.8
65.03920	1.1
67.05495	16.8
68.05019	18.9
69.03421	12.5
69.07050	4.0
69.89166	5.0
69.89450	1.3
70.02951	4.4
70.06567	1.9
70.60617	0.9
71.04987	1.7
72.04505	28.5
73.02895	3.0
74.02434	15.1
76.04013	1.2
79.05489	16.3
80.05012	4.1
81.03394	1.7
81.07037	15.5
82.32043	0.8
83.08620	1.7
84.04494	8.2
84.08112	1.1
85.02889	11.0
85.06511	0.8
86.06058	8.7
87.04450	1.3
88.03989	1.8
88.84147	0.7
90.94090	0.8
91.05463	8.5
93.07032	17.6
94.02908	1.0
95.04932	1.7
95.08592	11.1
96.04478	16.7
97.02882	6.4
97.10160	1.1
98.06042	13.6
98.21515	1.4
104.03441	9.2
105.07031	6.7
107.08564	7.3
109.10133	4.0
112.03934	5.7
113.02351	0.9
114.05510	41.1
115.03909	3.6
116.07081	3.9
117.06985	2.5
119.08557	3.5
121.10124	6.7
123.11665	2.6
124.03977	4.1
125.02297	1.3
130.04982	1.0
131.08589	2.1
132.06541	88.8
133.04950	6.7
133.10129	3.4
135.11681	2.7
142.04973	9.9
145.10104	3.1
147.11641	1.6
149.13182	1.3
150.07605	17.9
159.11627	0.9
160.06032	68.4
161.13214	1.3
161.38312	0.8
173.13251	1.6
178.07077	73.9
186.08160	0.9
196.08133	100.0
236.56554	1.1
243.21111	1.4
261.22073	4.2
392.27676	1.0
420.27271	2.1
423.36023	1.0
438.28421	46.7
439.28741	1.5
456.29547	51.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.4404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.3
57.03396	0.3
57.07069	16.3
58.06576	1.2
58.07377	0.5
59.05008	1.6
67.05497	2.2
69.07063	2.4
69.66100	0.2
70.06583	12.8
70.63528	0.7
71.08245	0.5
71.08621	10.2
72.08943	0.6
73.02915	1.4
78.02425	0.2
78.41391	0.2
79.05468	0.3
81.07047	2.3
83.08604	1.9
83.37570	0.2
85.10172	4.9
86.10491	0.3
87.04459	2.5
88.07617	17.5
89.06016	3.0
90.06410	0.3
90.57192	0.3
93.07019	0.6
93.85558	0.2
95.04906	0.3
95.08598	4.0
97.06469	0.3
97.10133	1.1
99.11693	0.3
102.09167	12.4
106.08639	0.7
107.08557	0.3
109.10116	1.1
117.09104	0.3
121.10096	0.4
133.08591	1.5
135.11665	0.3
156.17421	0.7
170.41632	0.3
177.11180	0.7
178.11499	0.3
186.52536	0.3
200.20065	47.8
201.20454	1.4
218.21107	4.8
223.52460	0.3
227.20129	0.5
253.96268	0.3
283.26270	48.0
284.26642	2.3
451.44672	0.3
456.44049	100.0
457.33731	0.6
457.44434	6.8
476.57016	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1115
Annotation	Riboflavin monophosphate
Peak:m/z	Relative Intensity
53.03940	7.1
53.64164	0.8
55.01849	2.3
55.05498	5.0
56.05016	1.3
57.03431	9.1
57.79494	1.1
59.04986	5.2
60.04501	1.3
61.02927	4.3
67.05482	3.8
68.05010	1.1
68.99773	2.3
69.03419	29.4
69.07057	5.4
70.06583	20.8
71.01336	1.5
71.04646	1.2
71.04984	11.3
71.06894	1.0
71.51330	0.9
71.51785	1.0
72.08142	6.4
73.02905	4.9
75.04504	1.0
79.05463	5.3
81.03403	35.9
81.07040	9.5
83.04949	4.1
83.08595	3.1
84.04465	4.2
84.08134	9.8
85.02895	18.1
85.06513	2.2
86.09689	7.5
87.00818	5.5
87.04456	2.0
88.02201	1.8
88.03951	1.3
91.05447	4.0
93.07025	7.4
95.04940	3.9
95.08579	4.1
97.02880	6.1
97.06499	2.2
97.10148	1.7
98.98451	17.0
99.03845	1.4
99.04443	18.9
100.07573	1.5
100.94021	0.9
103.38379	0.9
105.01836	2.8
105.07027	5.9
107.04907	1.3
107.08571	8.5
107.81615	1.4
109.02856	15.0
109.06503	13.4
109.10116	3.8
110.06038	2.1
110.07146	5.4
111.08076	2.0
113.07100	1.2
116.07040	2.2
117.05485	11.0
117.06960	1.2
119.04868	0.9
119.08534	3.5
120.08082	1.2
121.06451	2.6
121.10126	9.0
122.05973	1.7
122.34733	0.9
123.04391	1.3
123.08105	2.5
123.11681	1.8
124.07568	1.7
125.09594	2.1
127.03895	32.3
127.07513	1.5
129.01805	1.3
129.05530	1.1
129.06590	1.0
129.10202	4.3
130.04935	1.2
130.08621	4.2
131.08542	3.4
133.02867	1.0
133.06438	0.9
133.10110	10.0
134.05983	1.1
135.08046	5.7
135.11644	1.8
136.07523	3.8
137.05940	2.1
138.09164	0.9
139.11130	2.4
140.07045	2.2
145.02800	1.3
145.04906	3.6
145.07568	2.6
145.10092	1.8
147.02802	2.5
147.04335	2.0
147.09123	2.5
147.11601	2.2
149.05959	1.9
149.09583	1.9
149.13217	2.6
150.05486	1.2
151.11165	2.3
153.09090	1.3
157.07558	1.9
158.10878	1.3
159.09158	5.2
161.05869	1.1
161.09531	1.8
162.05467	3.3
163.03908	1.2
163.06087	0.9
163.14763	2.2
164.07042	2.1
167.07016	1.8
167.14326	2.1
169.04903	1.9
170.07117	2.1
172.08665	26.5
173.07051	3.1
173.13199	8.0
173.47136	1.0
175.07314	1.0
175.08629	2.7
177.05423	3.1
179.07079	1.6
183.14983	1.3
184.08638	2.4
185.10762	1.4
186.10207	2.6
187.05954	3.1
191.14276	15.3
195.01070	1.2
197.10835	1.2
198.06589	5.3
198.10271	2.5
200.08179	3.6
203.06963	1.5
209.15308	11.0
210.10231	2.1
212.01169	0.8
212.11765	1.1
213.03912	3.7
214.09706	4.2
216.07668	20.0
218.09225	2.0
219.07655	3.2
224.11780	2.5
226.09630	1.5
229.08362	1.9
231.04922	5.8
243.08749	51.6
244.07016	2.0
244.09235	1.9
257.10251	2.1
279.91473	1.1
291.07016	2.3
295.16299	3.8
297.09717	1.4
316.13153	2.2
323.11292	1.9
334.09561	1.8
334.13449	1.0
336.10217	1.1
341.12396	9.1
351.77509	1.1
359.13461	36.3
360.13657	1.2
377.14694	4.7
396.09381	7.1
397.07822	2.2
403.07907	1.6
414.10507	10.3
421.09116	7.8
421.18686	2.2
439.10052	100.0
439.18692	6.1
440.09564	3.9
457.11072	48.4
457.20819	6.6
457.26846	2.1
458.10818	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	455.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	28.1
57.07041	6.1
57.58723	3.8
60.35810	4.3
67.05495	31.4
68.65062	4.0
69.07059	25.6
71.52272	6.8
79.05466	30.3
81.03402	11.2
81.07034	60.8
83.04957	7.9
83.08596	18.0
84.08109	12.7
85.02879	7.6
85.66409	4.2
91.05455	25.8
93.07013	37.7
95.04936	23.1
95.08595	67.2
97.02878	5.8
97.06520	4.3
97.10146	9.7
98.09662	4.5
99.08072	5.5
100.07578	9.2
105.07022	46.5
107.08569	69.0
109.06487	11.1
109.10137	48.6
111.04385	9.6
111.08076	5.7
117.06953	9.7
119.08561	100.0
121.06439	5.4
121.10126	54.7
123.08018	8.8
123.11677	16.8
129.06961	5.2
130.08684	5.2
131.08525	22.5
133.06516	5.4
133.10095	44.2
135.08057	5.3
135.11659	39.6
137.13199	8.5
145.10078	51.5
147.07951	4.7
147.11667	33.0
149.09578	11.9
149.13252	14.1
157.10080	10.7
159.11653	37.9
161.05965	25.8
161.13226	23.0
163.07433	10.3
163.11124	6.7
163.14847	24.3
169.13345	4.6
171.11618	6.4
173.13222	28.2
175.14754	20.7
177.16316	12.5
179.14259	7.9
185.13211	14.6
187.14778	68.7
189.12753	4.6
189.16377	41.2
191.17889	29.9
199.14839	8.0
201.16342	50.0
203.17931	42.4
207.17424	8.3
211.14835	4.4
213.16391	7.5
215.17908	14.5
219.17349	6.8
221.18892	5.0
223.13254	10.3
227.17992	8.9
229.16115	5.8
229.19543	17.8
231.21049	5.4
233.15337	24.4
233.18887	4.9
242.18320	5.2
243.20976	5.4
245.15443	7.0
245.22548	5.2
247.16920	27.5
273.18466	5.0
275.20084	30.1
293.20984	14.2
312.94147	4.0
391.33423	16.4
406.00891	4.2
409.34576	46.5
411.36057	16.3
437.24954	6.9
437.34198	42.7
455.35260	27.0
455.43079	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	455.3724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	18.1
57.03431	6.4
57.07066	25.4
65.42512	1.2
65.83390	1.3
67.05492	18.2
69.07053	23.8
71.04984	2.0
71.08624	17.7
71.53063	2.4
74.70045	1.3
79.05484	6.5
81.07042	24.2
83.04983	2.2
83.08604	22.2
83.63058	1.2
83.79183	1.2
85.10160	8.5
89.05986	2.1
91.05446	1.7
93.07024	13.2
95.08589	24.2
96.21499	1.3
96.35398	1.5
97.06525	5.3
97.10143	13.4
105.07076	2.3
107.08577	6.7
109.10153	14.2
111.08111	4.0
111.11737	3.8
116.26592	1.7
119.08604	1.7
121.10113	10.9
123.11704	6.9
125.09644	2.6
135.11662	9.1
137.13228	3.0
139.11154	3.2
149.13271	5.9
153.12874	2.0
163.14827	3.5
163.30148	1.5
167.14348	2.0
169.03540	1.6
177.16402	2.9
193.40643	1.5
200.19968	1.6
223.20815	1.4
268.41586	1.5
317.32068	2.6
335.33105	3.9
345.31528	3.8
363.32574	14.9
381.33780	1.6
387.64917	1.3
399.34604	24.4
437.36386	7.4
455.37314	100.0
456.37741	4.7
456.44031	2.3
477.83429	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3511
Annotation	Krukovine A
Peak:m/z	Relative Intensity
50.30766	0.6
51.67618	0.8
55.05495	2.3
57.03425	1.0
57.07070	5.4
59.04971	1.9
67.05492	3.1
69.07066	3.8
70.88231	1.3
70.88580	1.2
71.08602	4.2
73.02886	1.0
79.05479	3.0
81.07045	7.8
83.04971	1.2
83.08605	2.1
85.10166	3.1
89.06013	2.8
91.05465	2.7
93.07029	8.2
95.04960	0.8
95.08596	9.3
97.06503	1.8
97.10160	0.9
97.81109	0.7
98.21025	0.9
99.08093	1.8
103.03946	0.8
105.07012	7.4
107.04936	1.1
107.08577	11.3
109.06496	1.3
109.10136	7.5
111.08089	1.1
111.11706	1.0
117.07030	1.3
119.08553	14.9
121.06447	1.9
121.10135	6.1
123.08028	1.1
123.11687	2.6
125.05991	6.4
131.08559	2.3
133.08546	1.9
133.10112	14.9
135.08064	2.5
135.11671	15.5
137.09595	0.8
139.07504	4.0
143.08554	1.5
145.10100	8.1
147.08023	1.1
147.11662	10.3
149.09598	1.1
149.13252	2.3
151.11166	2.6
155.08627	1.1
157.10118	2.4
158.10896	0.7
159.08020	1.8
159.11617	3.6
161.09586	1.4
161.13193	3.2
163.14812	3.7
169.10059	1.4
171.11673	2.0
172.12379	0.8
173.09567	5.0
173.13220	1.1
174.76872	0.6
175.11160	4.6
175.14755	0.7
177.09064	4.0
177.11139	1.2
180.76950	0.7
182.10951	0.9
183.11583	1.1
185.13216	1.8
187.11125	8.2
187.14751	5.3
189.12688	1.0
189.16353	34.2
190.16710	0.8
191.10640	3.4
197.13255	3.1
199.14731	0.9
201.12665	1.0
201.16360	1.2
203.17970	1.2
205.15874	3.2
205.19553	0.7
207.17409	66.8
208.17743	1.5
211.14796	2.3
213.16467	0.8
215.14261	13.5
216.14755	0.8
217.15868	1.6
227.14279	0.7
229.15842	62.1
230.16263	2.1
231.17406	7.2
233.15320	24.5
243.17429	3.7
243.63046	0.6
247.16899	20.2
247.19476	1.0
248.17227	0.8
249.18510	1.2
257.18967	2.3
267.70953	0.7
269.18945	0.9
283.20547	2.8
285.22067	1.2
297.22235	1.2
380.65204	0.6
419.32904	2.9
437.34094	25.3
438.34662	1.3
455.35144	100.0
456.35510	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29947	1.1
55.05501	4.0
57.07066	88.2
58.04202	4.8
58.07394	1.2
59.04991	24.5
67.05495	3.7
69.07053	5.7
70.06570	1.0
70.07834	1.2
70.12069	4.0
70.54818	1.0
71.04970	1.0
71.08619	100.0
72.05769	4.8
72.08943	1.2
72.46642	0.9
73.02911	4.1
73.06560	6.2
74.57834	1.0
81.07024	5.7
82.07811	1.6
83.08593	6.6
85.10168	86.6
86.07318	2.2
86.10502	1.7
87.04458	10.2
88.05238	1.4
89.06016	17.2
90.01901	27.3
93.07026	2.2
95.04980	1.1
95.08592	4.3
96.09349	1.3
97.10150	2.9
99.11716	10.7
101.06011	1.9
102.06803	1.5
103.07531	5.0
105.06991	1.2
107.08558	1.3
109.10153	2.6
110.10919	1.5
111.08087	1.5
111.11697	1.4
116.08351	2.1
117.09116	4.6
119.08583	1.6
121.10103	1.2
123.11712	1.1
127.14809	2.4
130.08664	1.4
133.08588	4.7
133.10097	1.2
135.11668	1.5
138.14038	4.7
141.16342	12.0
149.13049	1.0
151.07570	1.1
156.86702	1.0
165.09084	1.3
169.15833	2.5
177.16417	1.4
178.07071	3.4
183.17502	1.2
185.18980	5.1
196.08209	1.3
198.19737	3.1
199.20569	16.5
222.09683	8.5
240.10814	6.1
243.23199	5.6
262.08328	1.1
283.26181	1.4
284.13351	3.6
298.14816	2.2
305.23108	1.1
437.35397	1.1
438.30469	2.5
455.35779	3.4
456.43774	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	455.3513
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	5.5
55.05507	19.0
57.07054	7.1
66.74756	2.7
67.05495	29.0
69.03405	13.5
69.07059	22.3
69.48111	8.1
69.48515	17.8
71.04982	6.3
73.02882	4.2
76.38341	2.6
79.05475	16.7
81.03411	5.6
81.07040	47.6
83.04953	12.6
83.08624	15.8
84.08141	27.8
85.02905	15.4
85.06544	3.3
87.04437	3.0
89.05994	4.9
91.05465	29.3
93.07029	38.3
95.04928	7.2
95.08591	68.8
95.75495	2.7
96.08915	3.4
97.02895	6.2
97.06525	4.4
97.10146	7.0
98.09673	6.7
99.08038	3.8
100.07596	11.3
103.05464	3.9
105.07015	42.1
107.07866	5.6
107.08569	61.6
108.08903	3.7
109.02898	3.0
109.06499	7.0
109.10144	47.3
111.04422	7.3
111.08079	7.3
112.11230	4.7
114.01796	3.8
115.03915	6.0
115.85838	2.7
117.07008	8.8
119.08569	100.0
121.06464	3.4
121.10133	57.7
121.10996	2.1
123.08057	5.3
123.11687	16.3
125.09590	5.2
127.03865	3.1
127.71684	3.1
129.05283	2.8
129.06943	4.3
130.08615	32.6
131.04900	6.1
131.08527	23.0
133.06477	3.4
133.10123	45.0
135.04517	3.3
135.08035	5.1
135.11650	30.8
137.05934	3.2
137.09627	6.2
137.13248	4.6
139.07465	3.3
143.08553	7.9
145.06490	3.7
145.10097	58.8
146.10426	3.6
147.08014	6.1
147.11664	37.0
149.09654	5.6
149.13219	19.0
157.10100	11.2
159.11665	28.2
161.13240	26.4
163.07507	6.7
163.14806	23.0
165.09105	11.7
171.11667	10.8
173.09654	3.7
173.13229	26.3
175.11185	3.2
175.14819	21.5
177.16348	13.0
179.14250	8.5
182.52791	2.7
183.11739	4.3
185.09721	3.8
185.13211	12.4
187.14787	66.7
189.12666	4.4
189.16324	53.9
191.10658	3.9
191.17918	40.4
197.13190	5.7
199.14775	9.9
201.16342	45.6
203.17935	38.0
207.17358	12.0
213.16382	9.5
215.17923	10.6
217.19481	8.8
219.17476	6.1
229.19493	12.9
231.21082	4.8
233.15289	37.9
233.18800	4.5
243.21089	6.8
245.15388	4.1
247.16940	23.7
255.21152	3.8
259.16916	3.5
261.18427	4.1
272.09964	3.7
275.20114	6.9
284.14737	7.4
295.05682	3.2
315.04739	3.6
367.26489	3.8
382.94571	3.0
386.17133	4.7
391.33557	9.9
393.35059	4.3
409.17542	9.1
409.23138	2.9
409.34619	42.9
411.36230	14.9
437.34167	44.2
438.34921	4.1
455.23865	45.1
455.34943	32.5
455.42862	14.0
456.23727	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	455.1921
Annotation	Trp-Lys-OH
Peak:m/z	Relative Intensity
50.22498	1.1
53.03927	5.4
53.20260	1.2
55.01854	5.7
55.05504	7.3
55.05719	1.3
57.03418	2.5
57.07045	3.0
59.04987	1.6
61.02914	3.5
67.05494	6.5
69.03416	22.3
69.07053	13.4
70.04176	1.2
70.06577	6.9
71.04981	6.7
72.08139	2.4
73.02884	2.4
76.22029	1.2
79.05487	7.2
81.03403	16.1
81.07050	15.8
83.04948	4.0
83.08599	8.2
84.04474	1.5
84.08125	5.9
85.02887	26.7
85.03374	2.5
85.06519	3.8
86.06049	1.5
86.09701	7.5
87.00815	9.6
89.06001	1.8
91.05459	11.8
92.10817	1.5
93.07024	14.3
95.04940	9.8
95.08585	25.8
97.02893	11.6
97.06535	1.7
97.10141	4.3
99.04415	4.3
99.08073	19.7
100.07603	3.3
103.05351	1.3
105.01844	6.7
105.07008	13.5
107.04927	1.4
107.08577	34.6
108.08932	2.0
109.02851	13.8
109.06499	10.7
109.10129	13.0
111.08073	12.0
116.07050	2.1
117.01834	2.3
117.07015	3.0
119.04929	1.2
119.08549	18.6
120.08099	3.4
121.06495	2.9
121.10126	39.8
122.05952	1.6
122.10402	1.5
123.04391	1.9
123.08031	8.3
123.11687	3.4
124.07579	1.3
125.09576	8.2
127.03892	18.2
129.01846	1.8
129.07013	3.0
130.08661	1.4
131.08519	20.3
133.06480	4.2
133.10135	7.9
135.08034	25.8
135.11673	13.3
137.05963	2.1
137.09616	6.6
137.13229	5.4
139.07552	2.8
139.11183	2.1
141.12747	2.7
143.03258	1.7
143.08542	4.4
145.04947	6.1
145.10068	6.2
147.08022	23.3
147.11674	5.4
149.09590	5.3
149.13249	5.2
150.10321	1.4
151.07516	32.8
153.01736	8.7
156.09331	4.7
157.10201	1.2
159.02869	6.9
159.08008	1.5
159.11618	2.5
161.09572	3.5
161.13210	2.4
163.11163	4.8
165.12657	2.3
171.11650	9.1
173.13200	1.9
175.11034	1.7
175.14832	4.6
177.16356	83.3
178.16687	3.5
189.12706	100.0
190.13049	4.1
191.14267	44.0
193.15869	3.8
195.17410	16.1
207.13770	31.5
208.13924	1.6
211.16891	22.8
212.17233	4.6
213.18504	40.6
231.04956	4.2
268.94193	1.5
303.04932	11.9
304.05374	1.7
437.18298	1.6
455.05948	5.4
455.18906	2.3
455.34341	1.4
455.43121	2.8
463.80585	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1933
Annotation	Trp-Lys-OH
Peak:m/z	Relative Intensity
55.01849	2.0
55.05497	5.9
57.03427	0.7
57.07046	1.5
67.05495	4.4
69.03420	3.3
69.07055	9.1
70.06566	1.7
71.01901	1.8
71.04977	4.0
72.08118	1.1
79.05476	4.3
81.03397	2.0
81.07041	12.3
83.08598	6.9
84.04457	0.7
84.08127	2.0
85.02885	4.2
85.06519	2.2
86.09682	1.5
91.05463	4.1
93.07032	10.5
95.04947	0.9
95.08592	24.8
97.02871	2.6
97.10143	4.6
98.19502	0.6
99.08073	22.2
100.53238	0.7
103.03896	0.8
105.07008	4.1
107.08572	30.2
109.02842	1.8
109.06505	1.0
109.10136	8.3
111.08049	9.8
111.11697	0.8
113.09634	1.8
114.55437	0.7
119.08543	2.4
121.10123	48.4
122.06020	0.7
122.10470	1.5
123.08074	0.7
123.11678	1.8
124.07581	0.8
125.09615	5.4
127.03903	2.4
131.08528	1.4
133.10150	1.4
135.11662	9.3
136.07545	4.4
137.13234	5.5
138.09128	0.9
139.11148	1.7
145.10068	0.9
146.05954	0.7
147.07944	0.7
147.11710	1.0
149.09599	2.2
149.13232	3.0
153.12674	0.7
159.08017	2.2
164.07053	6.1
165.04080	0.7
177.16356	100.0
178.16698	2.8
186.32376	0.7
189.12653	4.4
191.14183	1.6
195.15639	1.1
195.17418	20.0
207.13736	4.3
208.13329	0.8
213.18457	66.1
214.18742	1.5
278.10059	0.8
279.12140	1.1
296.11359	1.5
346.63132	0.7
358.68567	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.292
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
50.19755	0.4
55.05510	2.1
57.03431	2.7
57.07068	20.1
62.06078	24.4
67.05493	3.6
69.07047	3.7
69.54215	1.6
69.54632	1.2
71.08232	0.9
71.08620	16.8
73.78880	0.4
79.05472	0.7
81.06583	0.5
81.07045	6.3
83.08599	4.5
84.08141	0.7
85.10168	9.0
87.04439	0.8
89.06010	1.5
91.05480	0.5
93.07008	0.6
95.08591	7.3
97.06502	0.4
97.10150	1.9
98.20754	0.5
98.98450	4.7
103.03920	0.9
105.06967	0.7
109.10162	3.9
111.11691	0.4
121.10095	0.5
123.11655	1.6
124.01579	1.2
125.63058	0.4
130.08633	1.2
137.13303	0.7
142.02634	1.0
150.61974	0.4
155.01009	5.6
167.27405	0.5
173.02182	0.7
182.25703	0.4
198.05226	1.8
210.94328	0.5
216.06233	2.0
239.23663	1.7
282.27863	19.1
283.28201	0.8
313.27301	100.0
314.27606	2.8
338.63187	0.4
393.23959	7.1
436.28012	6.1
454.29080	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16800	0.6
55.05500	1.8
57.03420	0.8
57.07065	51.4
59.04990	31.2
67.05495	1.1
69.07060	3.9
70.11008	1.3
70.11404	1.7
71.08617	100.0
72.08955	1.2
73.06561	0.6
79.05449	0.7
81.07066	1.6
83.08630	1.1
85.10165	55.0
86.10546	0.7
87.04469	1.2
87.08077	0.8
89.06015	27.9
95.08559	0.6
97.10204	1.2
98.20828	0.8
101.09658	2.5
103.07584	1.1
107.07077	1.4
109.10152	1.1
111.11716	1.2
117.09129	4.7
127.14801	10.1
130.08604	1.1
131.07045	1.0
133.08575	11.4
145.58664	0.6
147.10117	3.4
175.09685	1.3
176.09253	1.8
177.11186	12.1
185.18971	23.5
195.12228	11.7
195.13878	0.8
226.21660	2.0
235.15317	4.1
243.23126	16.5
243.25420	1.0
245.41704	0.7
252.16667	0.6
253.16412	6.4
293.19687	1.5
311.20660	1.1
311.25766	0.9
437.34595	10.0
454.37653	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
70.05076	2.2
70.05376	0.4
75.07542	0.4
94.93021	0.4
120.52460	0.5
176.98155	0.4
177.84103	0.5
212.85149	1.0
376.63293	0.5
455.11551	100.0
456.11902	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	454.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.4
53.20734	0.7
55.01865	7.7
55.05498	3.4
57.03424	7.5
57.07062	2.1
57.38835	0.8
61.02922	4.3
65.03919	1.1
67.05494	8.8
68.99776	2.8
69.03419	20.7
69.07065	5.8
69.55127	3.6
69.55555	2.8
69.56136	0.8
70.06594	4.8
71.04984	13.7
71.08624	14.6
72.08153	1.9
73.02902	5.1
76.29108	0.7
79.01830	6.3
79.05492	3.3
81.03415	18.8
81.07040	6.0
82.07388	1.0
83.01336	1.1
83.04977	2.1
83.08608	4.7
84.04478	1.8
84.08142	3.7
85.02894	48.5
85.06528	2.5
86.09693	3.0
87.00817	21.1
88.02206	0.9
90.02931	0.8
91.05467	3.9
93.07047	4.8
95.04946	2.8
95.08595	4.3
96.08138	1.5
96.08904	0.9
97.02878	22.6
97.06532	2.1
97.10104	1.2
98.20850	1.8
99.04440	7.1
99.08080	19.9
100.07603	1.6
100.11240	2.8
101.11603	0.9
103.07569	0.9
105.01847	21.7
105.07023	3.5
107.01295	1.4
107.04897	1.5
107.08583	4.2
109.02869	28.2
109.06477	1.8
109.10139	27.7
110.07170	1.1
111.00764	1.3
111.04419	2.1
111.08047	1.7
113.02333	1.0
114.09154	1.9
115.03925	1.1
117.01811	1.9
117.07031	1.7
119.04984	1.1
119.08566	2.6
120.08117	1.7
121.02853	2.4
121.06493	1.6
121.10108	2.2
123.04423	2.8
123.11690	1.8
124.07573	1.5
125.02372	4.9
127.03902	42.0
127.11167	16.1
129.01842	2.2
130.04901	1.0
131.04935	1.0
131.08551	1.7
133.10092	2.2
135.04398	1.4
135.08047	2.4
135.11676	2.3
137.02339	4.7
137.05978	1.9
137.79274	0.9
138.97954	0.9
139.03874	1.9
140.04156	1.1
141.01869	0.9
142.08646	2.0
143.03374	7.6
143.08711	1.1
145.04951	16.1
145.06154	1.3
145.12221	56.8
147.02872	0.9
147.08012	1.5
147.11690	1.0
149.09602	1.0
153.01811	93.4
153.02838	4.4
153.12700	3.0
159.02890	9.6
161.09653	1.0
161.13258	0.9
162.05475	2.7
163.03862	1.2
163.11261	1.1
165.01843	2.1
165.12761	0.9
167.06963	1.3
167.14328	11.4
168.13786	1.4
169.10144	0.8
169.12265	1.3
171.02951	0.9
171.13762	13.2
177.05507	1.2
183.02832	1.6
187.03954	1.4
188.10603	2.0
189.03958	1.7
189.14819	16.5
193.12286	1.0
195.02887	1.0
195.10191	2.2
201.05458	3.1
207.13791	1.7
210.14870	1.5
211.13321	1.8
213.03850	5.5
229.04936	8.4
231.04967	8.8
235.13281	5.9
237.14816	3.8
247.05791	2.0
249.05975	1.7
253.14313	3.8
255.15924	2.5
257.04517	4.4
257.06781	1.0
275.05637	1.2
279.15924	3.4
285.03946	3.4
285.12479	0.9
297.16959	2.8
303.04944	100.0
313.26535	1.1
339.14206	1.8
357.15369	8.9
375.16498	3.7
383.16943	1.1
401.18152	0.9
454.19781	4.0
454.34442	9.4
454.40863	1.7
455.06030	49.3
468.67661	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66501	0.4
53.03926	1.1
55.01863	1.1
55.05502	4.6
56.05837	0.5
57.03427	0.7
58.61571	0.4
60.04493	1.0
61.02909	0.6
63.57838	0.4
67.05477	0.5
69.03418	4.2
69.16622	0.4
69.97874	1.4
69.98295	0.9
70.06585	4.2
71.04963	0.6
72.08133	1.2
73.02908	1.0
76.02205	0.5
79.05466	0.7
81.03410	4.3
81.07046	0.7
82.06573	0.7
83.04968	0.6
83.08608	3.3
84.04498	1.0
84.07671	0.6
84.08128	4.6
85.02892	5.9
86.09678	1.4
87.00813	2.1
88.02214	2.2
91.05425	0.9
93.07009	0.6
95.04940	0.6
95.08574	0.5
96.08156	0.4
97.02874	2.8
97.06502	0.6
99.04432	1.5
100.11238	41.5
101.11565	4.3
105.01846	1.1
107.04949	0.9
107.08577	0.5
109.02852	4.0
110.06001	0.6
110.07127	1.4
116.07066	0.7
117.13851	0.8
119.04882	0.8
119.08568	0.8
120.08076	1.3
121.06425	0.4
122.02706	0.8
123.04405	0.7
127.03889	4.5
129.01819	0.7
129.10210	1.0
130.08612	4.1
132.04425	5.1
134.02687	2.6
136.07495	1.2
137.05945	5.5
145.02797	1.1
145.04970	2.0
147.04416	1.6
149.07471	0.4
153.09064	0.7
153.12692	0.8
159.02925	2.2
167.07011	5.0
177.05414	1.4
178.04962	52.2
179.05466	1.0
179.06979	0.4
206.04453	100.0
207.04811	1.7
209.16458	7.7
210.16745	1.3
210.18770	0.4
227.17499	45.6
228.17842	11.9
228.20135	0.6
231.04857	0.7
292.11725	0.7
313.11749	1.5
324.10364	1.0
365.02994	0.4
368.09705	0.9
374.66135	0.4
436.16949	0.5
448.39374	0.4
454.09418	4.6
454.18121	1.5
454.24466	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3353
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.03934	3.1
54.04362	1.8
55.05495	18.8
57.07064	12.0
59.04981	2.6
65.03929	2.0
66.19828	1.6
67.05170	2.0
67.05493	27.5
69.03406	2.5
69.07053	32.5
70.00970	1.7
71.05000	2.1
71.08620	2.9
71.54416	3.1
75.03219	1.7
79.05470	22.5
81.07037	53.6
83.04958	2.2
83.08598	16.8
84.08133	8.5
85.02840	1.5
85.06525	2.1
91.05459	30.5
93.06462	3.6
93.07023	57.1
95.04956	4.4
95.08586	86.9
96.08909	2.8
97.06514	3.3
97.10149	7.2
98.09650	2.2
100.07606	3.2
100.11246	1.8
103.05498	2.5
105.06290	2.1
105.07008	61.3
107.08572	86.0
108.06739	1.7
109.06481	4.8
109.10136	44.9
111.08078	4.0
111.11732	2.6
115.05439	4.7
117.07007	23.2
119.08556	74.4
121.06528	2.4
121.10115	53.9
123.04398	1.8
123.08040	4.8
123.11655	18.3
125.09684	1.9
127.12272	2.2
128.06133	4.1
129.06992	10.4
129.13757	1.6
130.07753	4.8
131.08537	52.1
133.06421	3.3
133.10100	51.8
133.11082	3.7
133.42897	1.8
135.08006	4.9
135.11659	39.6
137.13225	14.7
141.06940	2.0
142.07721	8.2
143.08539	27.2
144.09297	6.5
145.06439	3.0
145.10095	89.6
147.08031	6.3
147.09164	2.0
147.11658	41.2
149.05959	2.8
149.13226	23.2
151.07516	4.2
151.11122	3.5
153.06982	1.8
153.09036	2.2
155.08522	5.5
156.09319	5.4
157.10092	44.4
158.10812	4.1
159.08035	4.8
159.11656	64.5
160.12012	3.3
161.05936	4.9
161.09572	12.7
161.13216	25.2
163.07521	9.0
163.14809	17.0
165.12729	2.0
167.07066	4.7
169.08737	3.3
169.10124	8.7
170.10866	9.5
171.07997	4.6
171.11641	24.6
172.12379	5.5
173.09610	4.0
173.13213	28.6
175.07536	5.7
175.11162	6.5
175.14783	20.0
177.09048	4.7
177.12744	2.2
177.16406	8.1
179.10669	5.4
179.14288	5.1
181.08582	7.6
181.09964	2.0
183.11617	10.4
184.12386	5.6
185.09593	6.9
185.13226	30.0
187.11163	2.2
187.14766	46.5
187.16405	2.7
188.15219	3.3
189.09032	8.5
189.12770	2.9
189.16335	53.8
191.14316	3.7
191.17906	100.0
194.11031	2.4
195.11667	5.4
197.13237	6.3
199.11238	1.7
199.14780	54.6
201.09036	1.9
201.16328	78.4
202.16739	3.7
203.10661	6.8
203.14313	15.5
203.17903	37.1
205.12219	5.3
205.15906	4.3
205.19510	7.3
207.17480	2.3
209.13277	5.9
210.18480	25.0
211.14784	3.2
213.12766	5.0
213.16296	10.8
215.17912	13.7
217.12271	2.9
217.15897	22.8
217.19415	12.0
219.13792	7.4
219.17346	4.1
223.14790	2.9
225.16357	5.2
227.14377	13.5
227.17863	8.0
227.21184	5.4
229.12245	2.7
229.19485	5.3
231.13788	15.0
231.21294	1.9
233.15369	4.8
235.16879	2.7
237.16272	2.9
238.02773	1.7
239.17854	5.5
241.19485	4.3
243.13779	4.2
243.21085	5.5
245.15306	78.8
246.15739	2.2
247.16861	3.7
249.14847	7.5
251.17923	4.2
253.19510	7.0
255.21121	5.8
257.15259	2.6
257.19000	2.3
259.16922	4.5
263.16397	18.7
267.21078	5.9
271.20667	2.1
273.18427	5.6
285.18646	2.9
297.18393	2.1
299.19986	5.3
301.21539	3.2
311.20123	3.5
313.21750	2.3
365.24405	3.1
379.26285	2.2
389.31702	8.5
391.33664	6.8
407.32947	18.7
409.34540	5.5
435.32431	52.1
436.33136	4.2
453.27151	4.3
453.33566	90.8
453.40378	3.1
454.25009	1.7
454.33948	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	453.3355
Annotation	Stellettin J
Peak:m/z	Relative Intensity
51.40454	1.6
52.14368	1.5
53.03918	3.3
55.05498	15.0
56.56776	1.7
57.03417	2.1
57.07051	6.0
59.04965	3.2
67.05491	19.4
69.03398	2.6
69.06708	2.6
69.07056	29.5
70.06580	2.3
71.04955	2.5
71.08613	1.7
71.25282	3.6
79.05476	17.7
81.03363	1.6
81.07042	45.3
83.04968	2.0
83.08609	9.8
84.08131	50.4
91.05460	25.6
93.03372	2.3
93.06457	3.0
93.07023	40.9
95.04927	3.4
95.08586	63.0
97.06512	3.4
97.10139	6.1
100.07562	3.0
103.05442	2.1
105.07006	48.0
107.04939	3.7
107.08571	67.7
109.06493	4.1
109.10135	41.1
111.04427	2.3
111.08034	5.5
111.11684	1.7
115.05404	2.1
117.06989	19.8
119.08557	58.9
121.06508	1.7
121.10115	47.0
121.11007	2.3
123.08002	3.9
123.11684	18.4
127.12292	10.9
128.06142	2.9
129.06993	9.1
130.07742	2.6
131.08546	39.7
133.06451	4.0
133.10103	39.2
135.08002	4.7
135.11661	41.7
137.13217	10.5
141.06973	3.3
142.07729	8.6
143.08533	24.5
144.09317	2.5
145.06516	1.7
145.10092	66.0
147.08029	6.3
147.11670	27.4
149.02310	1.9
149.05936	4.0
149.09610	2.8
149.13217	18.9
151.07492	4.7
151.11139	2.8
153.09071	4.2
153.77470	1.7
155.08528	4.4
156.09322	4.9
157.10104	34.0
158.10829	3.7
159.11662	55.8
160.12086	1.7
161.05951	4.1
161.09531	7.9
161.13214	26.7
163.07538	6.2
163.11179	1.9
163.14792	14.6
167.07141	2.7
167.08493	3.0
169.08594	3.0
169.10081	7.1
170.10852	6.5
171.08015	2.8
171.11641	20.9
172.12411	4.9
173.09628	2.4
173.13226	28.2
175.07498	4.0
175.11165	2.8
175.14804	20.7
177.09151	4.2
177.16321	9.9
179.10683	3.1
179.14226	3.9
181.08591	4.5
181.10100	2.9
183.11685	8.3
184.12421	3.2
185.09575	4.9
185.13214	27.4
187.14789	46.3
189.09068	7.1
189.12698	2.5
189.16339	45.7
190.16751	2.1
191.17917	71.2
195.11673	5.3
197.13187	5.3
198.13855	1.8
199.11061	2.0
199.14789	43.6
201.12636	4.8
201.16347	62.3
202.16629	1.8
203.10637	6.1
203.14319	11.0
203.17912	31.0
205.12166	3.6
205.15894	2.9
205.19443	4.5
207.17380	4.5
209.13281	3.7
211.14749	7.1
213.12703	2.9
213.16331	11.3
215.14275	1.9
215.17917	10.1
217.12218	3.7
217.15793	12.4
217.19391	9.8
219.13794	6.3
219.17403	2.9
223.14891	3.2
225.16377	4.2
227.14252	10.1
227.17805	9.2
229.12149	3.7
229.19530	4.6
229.29700	1.8
231.13744	10.1
233.15269	5.0
237.16243	2.5
239.17915	5.0
241.19449	4.7
243.13893	3.1
243.21063	5.3
245.15317	55.9
246.15839	3.0
247.17018	2.8
249.14856	5.4
251.17819	2.2
253.19475	5.6
255.21031	6.3
257.22449	2.3
259.16971	5.1
263.16342	13.8
265.19708	2.7
267.20953	4.2
269.22528	2.4
273.18448	5.2
275.16287	2.0
277.19672	2.1
285.18509	4.2
287.20013	3.4
291.19296	2.7
297.18527	4.0
299.20047	7.3
301.21469	3.3
311.20001	3.9
313.21414	3.6
339.23071	2.3
347.27069	2.1
365.24649	2.6
389.32068	8.5
391.33752	5.2
393.27875	2.2
407.32959	16.6
409.34521	7.2
417.31384	3.1
435.24957	5.9
435.32486	52.1
436.25742	1.7
436.32773	4.3
453.26096	12.8
453.33554	100.0
453.40320	4.3
454.33920	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	453.1781
Annotation	Galbeta1-3GlcNAcbeta-Sp
Peak:m/z	Relative Intensity
53.03929	0.6
53.47974	0.5
55.05503	3.6
57.03422	1.1
57.07060	0.5
61.02913	0.5
63.48669	0.4
65.03940	0.7
67.05502	4.8
69.03422	4.1
69.07053	3.2
69.44315	2.4
69.44741	1.5
70.06577	0.4
71.04981	1.2
73.02882	0.9
79.05467	1.1
81.03400	1.5
81.07050	5.6
83.04958	1.9
83.08611	2.5
85.02886	7.0
85.06525	1.6
91.05450	1.3
93.07030	4.0
93.07526	0.6
95.08593	11.0
97.02890	1.3
97.06511	1.5
99.04436	0.8
100.11239	0.8
105.07018	2.3
107.08574	6.0
108.25974	0.5
109.02826	1.4
109.06509	2.7
109.10145	17.7
111.08062	9.0
119.08568	12.0
121.10126	6.4
123.07203	0.7
123.08053	10.0
123.11687	3.7
125.09608	1.4
127.03885	1.8
127.07529	0.5
127.11206	0.5
133.10118	9.8
135.11678	12.2
137.09599	21.4
137.13248	1.4
138.10361	2.5
139.11189	0.5
145.04938	1.2
147.11676	2.0
149.13248	4.4
151.11162	1.2
151.14807	2.3
157.64876	0.6
165.12724	4.1
165.16356	1.3
175.13300	1.0
175.14809	17.3
193.15851	16.6
211.16907	100.0
212.17232	1.7
232.45171	0.5
303.13232	0.6
385.50739	0.5
453.34521	1.2
462.81033	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.1
55.05499	16.1
55.23429	1.6
57.03404	2.5
57.07066	6.9
59.04999	3.2
67.05496	19.9
69.03405	4.6
69.07060	25.2
70.80917	4.7
71.04975	2.0
72.08107	1.7
72.50098	1.8
73.08603	1.9
79.05482	21.4
81.07039	41.4
82.62289	1.6
83.04964	4.3
83.08603	15.6
84.08125	5.2
85.02848	2.5
85.06544	2.9
91.05460	25.3
93.07025	41.3
95.04973	3.1
95.08593	61.7
97.06534	3.0
97.10168	5.1
98.09659	2.4
98.21201	3.6
100.07603	5.3
100.11264	2.1
100.95722	1.9
103.05473	2.4
105.07012	50.0
107.08567	60.7
108.08921	2.0
109.06504	3.1
109.10136	36.1
111.08060	3.9
115.05444	3.2
117.06993	16.2
119.08562	51.5
121.06419	1.9
121.10122	52.1
123.08043	3.6
123.11688	17.2
125.09612	2.9
128.06221	4.0
129.06995	10.4
130.07753	2.3
131.08525	36.9
133.06487	4.1
133.10107	41.2
133.11082	2.5
135.08118	4.7
135.11665	36.7
137.05963	2.4
137.09563	2.8
137.13268	9.9
141.07054	2.5
142.07779	7.1
143.08551	21.8
144.09326	5.4
145.10094	66.5
147.08040	5.0
147.11664	28.8
149.05959	3.5
149.09534	2.1
149.13239	18.3
151.07507	4.4
153.09091	2.1
155.08543	2.6
156.09360	4.3
157.10104	31.9
158.10864	3.1
159.11646	48.4
160.12419	2.2
161.05957	3.1
161.09572	12.2
161.13223	22.0
163.07555	6.2
163.11107	3.8
163.14832	15.8
165.09082	3.2
167.07022	5.5
169.08754	2.1
169.10172	5.9
170.10881	7.4
171.08031	4.1
171.11647	17.2
173.09668	2.5
173.13240	23.8
174.13634	2.5
175.07574	3.3
175.11217	5.3
175.14789	16.7
177.09143	4.6
177.16368	7.5
179.10629	3.7
179.14311	4.1
181.08496	5.3
181.09990	3.4
183.11662	6.2
184.12407	3.1
185.09644	5.5
185.13222	27.2
187.11243	2.7
187.14775	36.9
189.09094	8.0
189.12747	3.2
189.16331	42.0
189.17863	2.6
190.16718	2.1
191.14305	3.0
191.17912	80.0
195.11674	4.0
197.13277	6.9
199.14792	41.0
201.12756	3.6
201.16348	53.8
203.10669	6.1
203.14326	10.5
203.17905	28.8
205.12234	4.2
205.15916	3.2
205.19557	7.4
207.11777	2.1
207.17401	2.3
209.13240	4.4
211.14789	7.0
213.12766	2.3
213.16380	7.3
215.14351	3.1
215.17973	7.6
217.12289	2.7
217.15790	15.1
217.19344	8.7
219.13802	6.0
219.17459	3.6
223.14998	2.8
225.16377	5.4
227.14296	8.0
227.17860	8.7
229.19507	6.3
231.13794	10.1
233.15334	5.4
233.19096	2.8
237.16319	3.1
239.17953	4.2
241.15822	2.3
241.19429	4.4
243.13789	2.4
243.21063	5.5
245.15318	52.1
245.17671	3.3
247.16960	3.0
249.14871	4.8
251.17966	3.4
253.19527	5.8
255.21037	5.2
257.15262	2.2
257.22757	1.9
259.16907	5.4
259.20657	2.1
263.16388	14.9
267.20969	4.1
271.17007	2.2
273.18494	4.6
285.18631	4.8
285.21964	3.0
287.20142	4.2
297.18564	3.8
299.20023	7.2
311.20163	4.0
365.24603	2.7
379.26236	1.9
389.32062	9.6
391.33472	3.3
407.33133	11.8
409.34650	7.4
411.29117	2.2
435.32584	47.2
436.33246	2.4
453.33640	100.0
453.41040	6.4
454.34073	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	453.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83472	0.5
55.21475	0.5
56.96533	0.9
58.99828	0.6
61.87233	0.4
69.03406	0.7
70.06553	1.4
71.50885	0.5
71.51269	0.6
72.08115	0.6
73.02910	0.7
77.00890	0.9
79.05466	0.5
82.99859	0.8
84.08105	2.0
89.91994	0.5
91.05431	1.6
94.62598	0.6
94.99805	0.7
97.02840	0.8
98.97562	0.9
101.00874	2.6
103.02389	0.7
105.95137	0.5
110.07143	0.9
113.00848	1.1
115.02420	3.2
117.04011	2.8
119.01900	12.4
119.04925	2.6
121.06451	0.8
125.07098	0.6
129.03928	0.9
130.08559	1.9
131.01891	11.4
133.02531	0.9
133.03453	9.1
135.05014	6.1
136.06107	1.1
137.00819	0.7
137.02884	0.9
138.05490	0.5
139.05717	0.5
143.01860	8.4
145.03484	8.5
146.08043	1.5
147.01347	1.2
147.04340	6.2
149.02904	2.6
151.04410	0.9
155.00616	1.1
155.01871	16.2
156.02666	2.8
157.03470	3.2
159.05011	19.2
160.05107	1.0
161.02936	14.3
161.06543	0.6
162.03069	0.7
163.04530	4.5
171.05005	24.3
172.05136	1.3
173.02930	20.6
173.06546	6.0
174.03258	0.5
175.04509	4.5
177.02634	0.6
177.06088	8.9
178.05954	0.6
181.03403	0.6
183.04997	1.6
185.02921	2.4
185.06589	2.3
187.04480	1.6
189.06047	22.9
190.06181	1.0
191.07581	2.6
195.04922	0.8
199.04497	1.3
201.06084	10.1
201.07846	0.3
202.06235	0.8
203.03969	7.3
203.07545	2.9
205.05452	0.7
213.06035	6.9
219.01491	0.6
219.07080	5.4
221.05029	39.2
222.05135	1.9
223.04564	1.0
225.05803	0.6
231.07053	1.2
239.06091	1.4
243.07047	4.4
244.06633	1.0
245.11343	0.8
246.57352	0.6
247.04617	1.1
253.07707	1.3
255.06949	0.6
259.06580	1.3
261.08157	51.7
262.08356	2.6
278.10965	0.6
279.09204	89.8
280.09436	5.9
291.13361	0.7
299.06088	0.7
302.10767	4.1
321.10278	4.3
325.09506	0.6
333.10184	6.1
357.10147	1.3
367.10754	0.7
375.11322	2.7
393.12341	100.0
394.12527	7.8
453.13275	3.7
453.19162	1.6
453.34842	0.6
454.17349	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.1
56.05019	0.8
57.03418	3.1
60.82964	0.8
67.05482	1.5
69.03410	1.1
69.07056	21.8
70.06590	6.5
71.53704	1.1
72.08126	1.4
73.02895	2.0
79.05459	1.0
84.04481	2.6
84.08129	7.3
85.02888	5.5
86.09698	1.6
88.02183	1.6
88.03940	1.0
91.05458	4.5
92.13271	0.8
93.07019	1.5
95.01296	2.5
95.04930	2.5
97.02849	1.7
97.06489	2.3
107.04909	0.9
107.08588	0.9
112.03877	0.8
112.07590	6.7
113.02316	1.6
117.03339	1.3
119.04917	2.7
119.08546	2.0
120.08051	0.9
123.04402	2.5
127.05000	7.8
130.08600	4.9
134.02687	1.4
135.04364	1.0
136.07555	1.2
137.05948	3.7
140.07036	40.7
141.01817	6.6
141.05443	1.1
144.95795	0.9
145.02791	1.7
146.08099	2.6
147.04384	10.4
147.08112	0.8
148.04756	2.3
148.07521	0.8
159.02852	1.2
163.03880	0.8
165.05437	1.7
168.06523	68.2
169.06026	0.9
177.05447	2.7
178.09825	0.9
180.93369	0.7
193.10843	1.8
225.65610	0.8
234.98874	1.0
239.11385	2.3
242.10187	100.0
243.10475	1.7
277.58994	0.8
291.09946	2.2
301.65369	1.2
394.20706	2.1
400.12213	2.8
418.13370	14.5
419.13876	1.1
435.17578	1.4
453.18353	3.0
453.28271	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	452.3937
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	2.1
57.03425	4.2
57.07066	70.4
59.04993	57.0
69.07049	3.6
69.28005	10.4
69.28419	2.6
71.08621	100.0
73.02903	8.8
81.07030	3.2
83.08601	2.9
85.10171	59.3
87.04458	1.5
87.08115	1.9
89.06033	8.3
95.08560	1.3
96.98883	1.1
97.10181	2.3
99.11711	6.0
101.05997	2.5
101.09642	6.2
103.07571	7.4
107.07113	1.4
113.13284	2.3
115.07521	1.7
117.09112	17.7
127.14807	6.5
133.08601	2.8
135.10106	1.6
141.16382	2.3
147.04364	1.2
155.17932	3.8
161.11673	1.1
166.67703	1.1
169.02519	1.5
175.13283	3.6
185.18979	12.9
195.12274	3.5
199.20595	5.7
213.22089	1.5
214.15601	1.3
239.14944	4.2
243.23195	16.7
257.24750	4.7
301.18536	1.4
301.27252	1.8
301.30545	1.1
304.98395	1.1
340.29388	3.1
386.28439	1.1
407.33652	2.1
435.36896	7.6
453.35043	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	452.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	0.9
53.50515	0.8
55.05502	2.3
57.07070	100.0
59.04992	37.6
59.39576	0.8
62.65168	0.8
69.07059	2.0
69.28676	8.9
71.08624	66.9
72.08965	1.3
74.69147	0.9
82.24886	0.8
83.08582	1.9
85.10174	56.2
89.06021	29.9
90.59727	0.9
97.10159	2.8
98.21523	2.1
99.11724	13.7
101.09639	4.3
103.07555	1.6
107.07055	3.4
113.13248	5.4
117.09113	14.8
133.08607	9.5
137.32584	0.8
147.10162	5.5
155.17940	11.8
165.11224	3.3
177.11194	1.9
205.14357	3.9
213.22116	20.7
223.15396	3.6
239.02672	0.9
239.14857	21.1
254.24715	1.2
263.18500	1.2
271.26279	21.5
378.81760	1.0
435.36713	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	452.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.0
55.01859	1.6
55.05490	2.7
55.76376	0.7
56.05022	1.0
57.03431	4.6
57.07104	0.6
67.05481	2.6
67.58781	0.7
68.87902	0.7
68.99792	0.7
69.03423	7.8
69.07037	1.6
70.06576	4.9
70.90112	1.6
71.04969	1.7
72.08142	2.3
73.02915	1.0
75.04468	3.4
76.02179	1.0
76.36115	0.6
78.61187	0.7
79.05478	14.0
80.05766	0.7
81.03408	1.4
81.07043	3.4
83.04939	0.9
84.04468	1.4
84.08127	6.1
85.02892	6.6
86.09697	4.8
87.04431	0.8
88.02184	0.8
91.05459	11.3
93.05501	2.0
93.07026	66.0
94.06549	3.0
94.07349	1.8
95.01296	1.9
95.04946	6.1
95.08581	2.0
96.05256	1.5
96.08091	0.8
97.02864	2.7
97.06488	1.5
98.09677	1.8
99.04454	1.9
100.07591	1.7
103.03922	0.8
105.01894	0.8
105.07008	9.6
107.04902	1.3
107.08576	12.5
108.04436	1.2
109.02847	1.1
109.06499	2.4
109.10111	1.1
110.06001	0.7
111.04446	1.2
111.08049	2.6
113.02349	1.3
116.06206	0.8
116.07071	0.9
116.38024	0.7
119.04932	0.9
119.08566	3.8
120.08066	2.1
121.06481	3.2
121.10119	100.0
122.02716	2.4
122.06015	2.1
122.10460	2.7
123.04410	1.1
123.06789	8.2
123.08072	1.6
123.11686	1.2
124.07659	3.4
124.08351	0.7
127.03881	1.9
127.05051	0.9
129.06976	0.7
129.10196	1.3
130.08604	4.0
131.04890	1.6
131.08551	8.6
133.10089	1.7
135.04324	1.0
135.08057	0.9
135.11658	1.0
136.07544	1.6
137.05934	2.0
138.09142	1.0
139.11169	1.5
141.01805	4.7
145.04874	0.9
146.02599	0.8
146.05995	1.1
147.04419	1.8
147.08044	1.0
149.06000	1.4
149.09590	64.5
150.09914	2.0
151.11130	1.5
153.09087	1.8
161.06012	1.2
163.03830	1.7
164.07027	1.5
167.10645	13.3
169.12178	1.9
174.13649	0.7
187.13347	0.8
190.08714	0.8
191.03362	10.1
191.14221	0.9
192.14574	1.2
200.98592	0.8
204.06548	1.4
209.07935	0.7
209.15384	1.0
210.15695	1.3
223.13202	6.0
241.14305	24.6
242.14473	1.0
243.06462	2.3
255.15942	1.0
259.11557	0.8
285.07559	6.2
319.04471	1.2
320.04752	2.7
325.12695	4.1
355.23880	1.7
393.09933	1.0
399.16547	3.6
420.14609	0.8
452.09979	1.2
452.40378	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.7
57.07064	100.0
59.04989	14.5
64.62969	0.6
67.05495	1.1
69.07059	2.3
71.08617	74.5
71.53762	0.8
72.08942	0.7
73.06541	1.2
79.05505	1.0
81.07052	1.6
83.08635	1.0
85.10167	59.3
87.04451	2.2
89.06013	50.3
93.07063	1.1
95.08596	1.3
97.10159	1.6
99.11710	13.3
99.12311	0.9
103.07559	4.9
105.07013	0.9
107.07075	2.8
109.10150	0.9
113.13260	5.0
120.89990	0.6
122.68819	0.7
128.04649	0.7
130.08665	2.1
131.07024	1.8
133.08578	44.8
136.43752	0.7
137.69046	0.7
151.09666	1.6
153.16721	0.6
155.17946	5.4
158.77928	0.6
163.98697	0.7
175.09659	1.0
177.11194	6.1
191.72949	0.6
195.12233	1.2
208.74719	0.6
213.22185	3.1
221.13844	1.9
221.85901	0.6
239.14848	15.1
257.24887	1.3
295.22388	0.7
311.15396	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.7
57.07064	100.0
59.04989	14.5
64.62969	0.6
67.05495	1.1
69.07059	2.3
71.08617	74.5
71.53762	0.8
72.08942	0.7
73.06541	1.2
79.05505	1.0
81.07052	1.6
83.08635	1.0
85.10167	59.3
87.04451	2.2
89.06013	50.3
93.07063	1.1
95.08596	1.3
97.10159	1.6
99.11710	13.3
99.12311	0.9
103.07559	4.9
105.07013	0.9
107.07075	2.8
109.10150	0.9
113.13260	5.0
120.89990	0.6
122.68819	0.7
128.04649	0.7
130.08665	2.1
131.07024	1.8
133.08578	44.8
136.43752	0.7
137.69046	0.7
151.09666	1.6
153.16721	0.6
155.17946	5.4
158.77928	0.6
163.98697	0.7
175.09659	1.0
177.11194	6.1
191.72949	0.6
195.12233	1.2
208.74719	0.6
213.22185	3.1
221.13844	1.9
221.85901	0.6
239.14848	15.1
257.24887	1.3
295.22388	0.7
311.15396	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	5.8
55.05504	16.9
57.07070	22.9
65.03915	2.0
67.05491	2.9
69.07052	1.4
70.06589	1.8
70.36096	2.9
71.04975	14.8
74.99995	3.6
79.05492	1.8
81.07039	3.9
82.98994	9.6
83.04971	58.2
83.08577	1.2
84.08121	3.7
91.05464	7.1
93.07027	2.3
95.04952	3.8
95.08574	2.9
98.21420	1.4
98.98461	1.5
100.07599	4.1
101.06006	3.7
103.05462	1.4
105.07003	3.3
107.08566	2.6
108.21081	1.2
109.10126	1.7
112.11233	1.3
117.01014	33.4
119.08572	2.6
129.07027	4.3
129.13907	1.4
133.10088	2.3
135.02066	8.3
145.10120	1.7
147.02051	14.6
147.08015	2.2
147.11688	8.3
152.86151	1.2
153.63524	1.1
159.11826	1.4
165.03113	34.8
175.01532	91.4
181.02600	13.5
193.02646	2.8
213.08658	1.3
216.04240	2.2
216.12416	1.2
219.21335	1.2
227.04675	8.8
231.07785	9.1
241.06178	1.3
275.06735	14.8
303.04898	1.7
305.05536	3.2
313.12006	6.3
321.02899	5.9
331.13007	57.8
332.13245	2.0
339.03781	4.3
369.18127	2.7
377.09085	18.4
387.19241	40.6
395.10101	62.1
433.15359	29.9
433.31009	2.3
450.38171	1.6
451.16406	100.0
451.39932	3.6
452.16537	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.18
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.2
55.01861	3.0
55.05494	1.8
57.03432	7.9
60.15076	1.1
60.93472	1.2
65.03924	1.5
67.05501	2.6
68.05006	1.6
69.03411	3.9
69.07041	1.6
70.06580	16.0
70.53520	4.4
71.01351	1.5
71.04974	2.0
72.08145	3.7
73.02907	8.7
75.04465	5.1
78.17983	1.1
78.78642	1.1
79.05481	7.2
81.03400	4.8
81.07043	4.5
83.04974	2.0
84.04485	2.5
84.08138	9.9
85.02886	14.6
86.06059	3.3
86.09688	3.0
88.02190	3.1
91.05464	37.6
92.05849	1.9
93.03394	1.4
93.05502	7.2
93.07021	26.3
95.01328	3.5
95.04935	10.2
95.08607	6.0
97.02901	3.1
97.06528	1.1
99.04425	2.7
100.07588	1.7
102.35882	1.1
103.03941	1.5
103.05450	1.2
105.07024	9.6
107.04940	2.4
107.08576	4.3
109.02856	2.6
109.06506	3.1
109.10136	2.4
110.07173	1.9
111.04425	2.2
117.06992	10.5
119.04945	1.3
119.08559	100.0
120.08111	2.4
120.08896	3.7
121.06496	2.2
121.10129	4.2
122.05939	1.4
123.04403	2.4
123.08032	1.3
127.03898	3.1
128.30408	1.2
129.05403	2.0
129.06989	3.4
129.10197	6.7
133.10086	5.9
135.08011	9.1
136.07570	3.9
137.02312	2.1
137.05949	4.8
137.09605	5.1
140.07056	5.0
141.01834	6.3
142.73778	1.2
145.04974	3.8
146.08058	1.3
147.04340	1.6
147.08023	52.7
148.08388	3.1
149.39616	1.3
152.07016	1.8
153.09128	3.3
153.12694	1.9
159.02921	2.2
163.06017	2.2
164.07005	1.2
165.09071	22.4
165.10287	2.0
173.13376	2.7
182.08113	6.4
183.10149	2.8
191.14253	2.7
204.98051	1.2
206.08066	4.0
209.15363	3.8
211.09389	1.5
221.11679	3.1
227.12791	1.7
229.11845	2.3
239.12729	21.5
251.07307	1.2
257.13821	3.0
271.20358	1.4
286.11304	1.4
288.06213	1.3
289.06778	1.3
302.12308	2.0
451.16891	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	450.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89510	2.3
57.06787	4.9
57.07064	100.0
59.04985	42.8
62.11709	2.3
69.33440	6.9
69.33861	16.6
71.08616	70.1
83.08603	2.6
85.10164	57.9
87.04452	27.0
97.10151	2.9
99.11725	13.9
101.09641	3.7
113.13279	4.6
117.09098	12.2
153.97284	2.5
155.17891	8.7
159.51787	2.5
168.67746	2.3
185.36900	3.0
213.22025	16.6
271.26233	14.4
405.35406	5.2
450.23215	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	451.0478
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58159	0.4
51.75283	0.4
52.68764	0.6
53.59976	0.5
53.81672	0.4
56.96561	0.5
62.78544	0.5
65.68244	0.4
69.56275	3.2
69.56667	0.9
74.78889	0.4
76.01183	0.4
84.08136	6.4
85.08433	0.5
91.99546	0.5
98.20712	0.6
98.97575	0.5
103.02404	0.5
116.98681	0.6
130.08617	7.9
131.08974	0.8
161.03006	0.5
173.02921	0.6
177.06085	0.5
188.07333	0.5
192.00023	0.7
195.01912	0.5
219.07085	1.1
220.07310	1.1
223.04193	0.6
231.07196	0.6
232.07269	1.3
252.70511	0.6
304.14801	0.4
316.43863	0.5
321.10648	2.3
322.10855	5.6
339.09793	3.5
340.10107	7.6
391.02884	0.8
433.03622	0.6
447.46640	0.6
451.04800	100.0
451.17950	6.0
452.05283	2.5
457.17389	0.5
469.20477	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50521	1.3
55.05494	5.3
56.05014	1.4
57.07075	2.3
64.86427	1.1
65.03907	1.2
67.05493	33.2
69.07040	4.1
70.06578	4.1
71.04972	5.3
71.08614	1.6
71.52660	2.1
76.03977	2.3
79.05044	1.2
79.05473	6.9
81.07042	36.9
83.08614	4.3
83.20816	1.4
84.04491	31.8
85.02885	5.4
88.07603	4.3
89.03729	1.4
91.05474	12.2
93.07034	9.4
95.04970	1.3
95.08595	35.1
97.06506	2.8
97.10142	3.7
102.09139	1.9
105.07021	3.9
107.08589	7.0
109.10138	21.9
111.08045	1.9
119.04923	19.8
119.08556	4.6
121.10136	7.6
123.11674	8.4
130.04977	14.5
133.10098	11.1
135.11639	8.4
137.09605	3.8
137.13226	4.3
145.10062	2.4
147.04387	100.0
147.11617	1.9
149.02367	8.5
149.09593	1.2
149.13217	3.9
151.11227	6.6
155.10645	1.5
159.11618	2.7
165.05437	10.4
169.12181	3.2
173.13213	2.0
174.38272	1.6
175.03914	1.6
177.03174	1.6
191.17964	1.4
193.04959	7.4
195.13774	3.2
214.69257	1.4
215.17900	18.5
219.06525	2.1
220.06723	1.8
221.06827	1.6
233.18945	13.7
236.38419	1.4
243.04561	1.5
247.18062	1.3
251.20033	52.6
256.26221	2.2
256.48712	1.6
257.97034	1.5
259.10403	1.4
269.21030	2.7
284.29373	3.7
288.05637	2.6
289.49423	1.5
303.04977	6.0
304.05148	12.2
305.05481	1.5
431.18951	1.8
434.43137	1.4
450.31787	25.8
459.21518	3.1
460.22021	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0475
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44453	0.7
53.64462	0.7
70.38591	2.8
70.88137	0.7
84.08140	2.0
130.08621	2.4
138.05487	1.0
146.08125	1.3
166.30566	0.8
207.39578	0.7
314.94324	0.8
391.02679	1.5
406.74835	0.9
432.97952	1.0
451.04861	100.0
451.11963	14.8
452.05298	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3979
Annotation	sitostanetriol
Peak:m/z	Relative Intensity
53.03923	1.1
55.05505	15.8
57.03433	1.7
57.07064	11.2
66.98936	1.2
67.05489	6.8
69.07056	17.1
69.38654	7.0
69.39063	2.3
70.54311	1.0
71.04973	1.2
71.08619	8.3
79.05477	2.2
81.07045	9.4
83.04983	1.9
83.08605	17.0
85.02877	1.6
85.10165	4.6
86.33064	1.1
91.05470	4.5
93.07015	6.9
95.04955	3.4
95.08579	13.2
97.06503	2.0
97.10153	16.2
103.36588	1.1
105.07018	3.7
107.08572	3.4
109.06477	3.4
109.10140	11.6
111.08050	5.5
111.11719	4.2
119.08566	14.1
121.06501	3.9
121.10146	4.2
123.04433	8.9
123.08072	3.6
123.11701	4.7
133.10063	2.3
133.94286	1.3
135.11646	5.3
137.05948	1.5
137.09596	15.8
137.13263	1.6
139.07516	22.8
139.11122	1.5
147.08043	2.4
147.11703	1.5
149.13246	2.5
151.07626	1.9
151.11121	7.4
161.13228	3.0
165.09099	6.5
165.12724	7.0
167.10759	1.2
168.00414	1.2
179.10783	1.7
179.14294	5.8
183.10107	1.5
189.16380	1.6
189.62645	1.1
193.12198	1.3
193.15860	4.3
207.13828	1.9
207.17479	3.2
221.18839	1.8
263.23672	1.6
273.25217	1.2
283.90594	1.1
303.05008	3.3
326.05432	1.1
347.29471	3.7
385.38602	1.5
403.39233	15.4
431.38776	59.7
449.39835	100.0
450.40335	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	450.196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.2
55.05505	1.0
55.73819	0.4
57.03425	2.2
59.04991	0.5
67.05492	11.2
68.41424	0.5
69.03421	1.1
71.04980	2.2
71.20487	0.7
72.05281	0.5
73.02905	1.5
79.05473	1.3
81.07048	7.4
82.36201	0.5
85.02887	6.6
86.03233	0.7
89.05996	0.4
91.05471	0.5
93.07033	1.1
95.01295	0.8
95.04940	1.9
95.08594	4.5
97.02895	0.5
99.08085	0.8
103.03951	0.7
107.08553	0.5
109.06486	0.9
109.10137	40.6
110.10451	0.6
113.02353	1.9
115.03944	0.5
119.08588	1.4
121.10127	1.3
131.03369	1.0
133.04948	0.6
133.10062	0.4
137.09592	56.5
138.09932	0.7
141.01793	2.1
153.01784	1.2
155.10645	3.4
159.02858	1.2
165.09087	24.6
183.10118	1.2
201.11211	1.0
216.42618	0.4
229.04915	0.6
230.05388	0.7
239.12737	100.0
240.13231	2.5
257.13800	50.9
258.14154	1.1
274.04492	0.7
300.49716	0.4
302.04190	0.6
303.04727	3.2
304.05246	5.4
317.06534	4.3
318.06851	14.8
319.06912	1.3
358.61972	0.6
415.16156	0.5
427.51703	0.5
438.93799	0.4
450.19476	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.0
55.01860	0.9
55.05501	15.3
57.03426	10.6
57.07054	3.0
67.05491	26.9
69.07056	15.6
69.26617	4.8
69.27039	2.8
71.04972	3.1
71.08605	2.0
79.05482	8.2
81.06580	1.5
81.07043	30.3
83.04935	1.0
83.08607	11.1
85.02886	2.2
85.10192	1.3
85.11791	0.7
91.05461	5.7
93.07021	8.9
95.04966	1.0
95.08593	23.9
97.06503	1.5
97.10142	3.3
98.20773	1.2
98.21429	1.6
98.98425	1.2
105.07017	3.6
107.08560	5.6
109.10126	10.2
111.08048	1.1
111.11663	0.9
112.99993	54.1
119.08556	4.1
121.10114	4.4
123.11732	3.7
123.12493	0.7
127.60503	0.8
133.10094	3.1
135.11647	3.0
137.13223	1.6
145.09972	0.8
147.11734	1.8
149.13226	1.4
155.00981	1.2
159.11739	1.0
161.13228	1.7
163.14706	1.4
169.02579	27.8
175.14856	1.0
187.03625	4.4
189.16357	0.9
245.22566	2.7
263.23679	6.2
303.04944	7.0
304.05200	1.1
313.77664	0.8
319.26385	0.9
337.27295	100.0
338.27679	3.4
449.26385	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	449.3768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.5
55.01867	1.7
55.05301	1.3
55.05502	14.0
57.03423	5.1
57.07066	100.0
58.43045	1.3
59.04989	63.7
61.62464	1.3
65.03909	1.9
67.05492	19.6
67.80145	1.3
69.07056	18.7
70.99615	2.9
71.04967	6.8
71.08619	78.5
79.05479	17.9
81.07038	73.0
83.04947	1.5
83.08615	9.2
85.02874	5.5
85.06523	21.9
85.10169	61.5
91.05467	17.5
93.07025	40.7
95.04956	4.5
95.08591	55.4
97.06507	3.5
97.10146	7.0
99.08086	3.2
99.11724	15.4
101.06013	2.0
101.09623	3.1
103.07578	7.0
105.07014	40.2
107.08565	42.0
109.06476	2.9
109.10143	31.6
111.08083	3.5
111.11691	2.6
113.13251	5.2
117.07003	5.0
117.09114	16.3
119.08559	37.5
121.10118	34.5
123.08057	1.8
123.11668	10.9
125.09579	2.1
129.07018	3.0
131.08525	13.8
132.08871	1.5
133.10115	22.5
135.11662	15.6
137.09587	1.5
137.13239	4.1
142.07765	2.4
143.08514	7.7
145.10083	21.4
147.11652	24.4
149.13229	21.7
151.11101	2.0
155.08470	2.8
155.17940	6.1
156.09367	1.9
157.10115	13.4
159.11659	27.3
161.11899	2.8
161.13199	18.6
163.11143	2.2
163.14755	12.7
165.16243	1.8
169.10126	4.1
171.11700	7.8
173.13254	17.1
175.14789	10.7
177.12704	2.6
177.16397	4.1
183.11659	3.0
185.13278	7.1
187.14841	10.7
189.16351	11.4
191.14317	1.8
191.17938	2.9
195.11725	1.8
197.13147	2.9
199.14792	6.5
201.16379	8.9
202.42339	1.6
203.17953	6.2
211.14772	4.1
213.16325	8.2
213.22131	7.8
215.17946	9.4
217.19485	3.6
223.14789	1.6
225.16415	3.8
227.17946	5.5
229.19464	4.0
241.19574	3.4
245.19022	2.6
253.19518	2.2
255.21144	2.3
257.22559	2.7
267.21100	1.7
269.22549	2.9
271.26389	6.0
281.22470	3.0
283.24182	2.4
287.05228	1.5
303.04950	21.2
313.25201	1.8
317.91309	1.9
318.75787	1.5
335.27222	2.7
337.28732	2.4
349.28790	1.8
351.30484	1.9
431.36548	14.5
449.37729	79.9
450.38055	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	449.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.7
55.01867	0.6
55.05503	4.9
55.08398	0.3
57.03429	0.7
57.07070	20.5
62.28291	0.3
65.03931	6.4
67.05502	0.5
69.07066	0.5
69.50066	0.3
69.76162	1.0
69.76574	0.7
71.04980	5.5
79.05480	0.7
81.03416	1.5
81.07037	0.9
83.04967	54.4
83.08615	0.4
84.04473	0.3
84.08156	0.5
85.02888	5.4
89.06007	0.3
91.05466	5.0
91.43900	0.3
93.07043	0.5
95.04946	0.7
95.08589	0.6
98.98445	5.6
100.07613	0.4
105.07005	1.5
107.04942	0.8
107.08566	0.4
115.05427	1.1
117.07059	0.4
119.08553	0.9
123.02065	0.3
123.11718	0.4
128.06213	0.4
129.05466	1.1
129.06972	1.5
131.08536	0.7
133.00502	0.6
137.02377	0.3
141.06967	3.1
147.08003	0.7
147.11664	6.2
151.01543	6.6
153.01843	0.5
159.08057	2.1
163.01535	4.6
169.07600	1.0
175.01523	6.7
181.02582	1.8
187.01535	1.5
221.03598	0.6
227.04657	2.5
229.05025	0.6
239.04671	1.3
254.98138	1.2
260.99194	4.8
287.05438	1.6
296.95465	0.3
303.04938	16.6
337.02304	46.6
338.02591	0.5
355.03311	0.5
357.23932	0.3
378.05011	1.2
379.18280	0.4
393.08557	100.0
394.08878	1.6
411.09573	0.7
426.90549	0.3
434.11221	3.6
449.14841	11.6
449.28204	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1071
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03937	0.6
55.01849	0.5
55.05497	0.3
57.03428	0.8
60.78750	0.1
61.02914	2.0
65.03919	0.2
65.19936	0.1
67.05492	0.3
68.99774	0.8
69.03417	3.0
69.07029	0.1
70.06567	0.5
71.01326	0.2
71.04966	0.6
71.53294	0.1
71.53706	0.2
72.08120	0.2
73.02891	0.6
79.05471	0.6
81.03416	1.8
81.07043	0.3
83.01313	0.3
83.05003	0.2
84.08132	0.2
85.02892	10.8
85.06523	0.2
86.09682	0.3
87.04451	0.3
88.02203	0.1
91.03920	0.6
91.05459	0.4
93.07015	0.6
95.04933	0.2
95.08589	0.3
97.02873	3.5
99.04444	0.6
105.03361	0.3
105.06993	0.2
107.04927	0.5
107.08549	0.3
109.02866	1.4
109.10132	0.3
111.00805	0.6
111.04399	0.2
117.07007	0.2
119.04902	0.1
119.08574	0.3
121.02839	3.2
121.10121	0.5
123.04433	0.2
127.03892	2.2
131.08551	0.1
133.02806	0.5
134.60484	0.1
135.04414	0.2
135.08035	0.2
136.07550	0.4
137.02321	1.8
137.05951	0.3
143.07002	0.4
145.04913	1.5
145.06451	0.3
147.04388	0.9
147.08092	0.2
147.11632	0.2
149.09569	0.3
153.01794	3.9
157.06421	0.4
157.07635	0.3
161.05995	0.2
164.07030	0.3
165.01804	1.7
171.04335	0.3
173.05881	0.1
183.02914	1.0
183.13773	0.3
185.05923	0.4
189.05319	0.3
197.06044	0.2
203.03625	0.1
203.07025	0.2
213.05423	1.7
229.04910	0.2
231.06506	0.7
241.04929	0.9
242.92516	0.1
243.06416	0.1
257.04318	0.3
258.05203	1.1
259.06012	0.3
269.04276	0.3
287.05444	100.0
288.05765	3.3
288.08759	0.3
290.11310	0.2
299.05472	0.2
302.04181	0.2
303.04913	2.4
329.03021	0.3
329.06476	0.2
345.06036	0.2
347.03970	0.4
355.04544	0.4
407.07504	1.8
449.08548	3.6
449.31125	0.2
450.08694	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1066
Annotation	Quercitrin
Peak:m/z	Relative Intensity
57.03423	4.5
61.02916	0.5
68.99769	0.8
69.52483	3.7
71.04980	28.3
75.04472	0.9
83.04973	0.8
85.02889	29.6
87.04443	0.5
88.84844	0.4
106.31943	0.5
111.00816	0.7
111.04378	0.5
120.94168	0.5
121.02822	0.9
129.05460	7.4
137.02306	2.4
146.27974	0.5
147.06503	1.5
149.02348	0.5
153.01799	3.4
163.03848	0.8
165.01802	1.7
183.02875	0.5
201.05434	1.4
213.98705	0.4
229.04898	3.9
257.04468	2.6
274.04694	0.6
285.03912	1.6
303.04935	100.0
304.05341	1.3
422.34518	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
55.01868	0.8
57.03409	0.6
67.91105	0.4
69.03418	4.8
69.41651	3.8
71.01340	0.9
71.04965	1.1
73.02914	1.1
81.03403	5.5
81.66895	0.4
85.02889	14.1
97.02872	29.8
99.04428	9.6
103.03921	12.3
105.07001	1.0
109.02869	5.7
115.03910	0.6
125.02328	87.3
126.02694	0.8
127.03894	22.7
143.03368	100.0
144.03699	1.1
145.04930	9.0
147.04352	0.9
151.07484	0.6
163.05984	2.9
169.04976	0.7
172.31418	0.4
187.05963	1.2
253.06865	0.5
256.01593	0.5
271.08081	1.4
287.05472	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	449.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38890	1.0
53.03940	6.1
55.05510	1.3
57.03419	2.5
61.02917	2.6
69.03421	14.4
70.06573	2.5
70.12277	4.2
71.04986	4.8
73.02895	5.0
76.91908	0.9
81.03404	18.0
84.08105	1.7
85.02891	61.4
91.03947	1.8
95.04987	1.1
97.02874	39.8
99.04439	41.8
103.03925	56.5
103.85384	0.9
104.95133	0.9
109.02124	1.4
109.02855	21.8
115.03906	1.9
125.02380	1.6
127.03896	99.9
128.04239	1.3
128.76854	0.9
137.02304	1.5
143.03363	25.4
143.04500	11.9
145.04935	56.1
145.90280	1.0
156.93282	1.0
163.05989	20.7
167.07057	1.5
169.04922	1.5
185.05937	1.3
187.05936	5.0
192.13222	1.0
197.66914	0.9
199.05945	1.2
205.06978	1.5
213.05380	1.5
231.06671	1.2
241.04971	1.0
271.08096	6.9
287.05453	100.0
288.05756	3.9
288.48627	1.0
289.09137	2.7
303.04794	1.1
307.10275	1.2
449.10623	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	449.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
55.01856	0.5
55.05500	0.4
56.05032	0.1
56.39636	0.1
57.03427	1.1
60.90591	0.1
61.02916	1.6
65.03908	0.1
66.52922	0.1
67.05482	0.4
68.99766	0.6
69.03419	3.8
69.07056	1.0
70.06580	0.7
70.31364	0.2
70.31722	0.3
71.01358	0.2
71.04983	0.9
71.05295	0.1
71.53493	0.1
72.08128	0.4
73.02905	0.8
74.06059	0.1
75.04442	0.1
79.05485	0.6
81.03410	1.8
81.07043	1.0
82.06554	0.2
83.01334	0.2
83.04980	0.3
84.04494	0.6
84.07686	0.1
84.08112	0.6
85.02892	10.9
85.06517	0.5
86.03226	0.2
86.09708	0.9
87.04439	0.5
88.02222	0.1
91.03938	0.5
91.05453	0.6
92.96188	0.1
93.07008	0.8
95.01319	0.1
95.04935	0.4
95.08585	0.6
97.02291	0.2
97.02879	3.7
97.06509	0.3
99.04443	0.8
99.08059	0.2
100.07591	0.3
101.05999	0.3
105.03374	0.3
105.07005	0.5
107.04923	0.4
107.08578	0.3
109.02865	1.6
109.06490	0.2
109.10129	0.2
111.00826	0.7
111.04419	0.2
111.08043	0.2
111.11732	0.1
117.05453	0.3
117.07030	0.1
119.08562	0.4
120.08046	0.2
121.02839	2.5
121.06464	0.3
121.10094	0.6
123.07939	0.1
124.07581	0.1
125.09566	0.2
127.03908	2.3
128.04294	0.1
129.06985	0.2
129.10243	0.2
130.04991	0.1
131.08563	0.3
133.02834	0.6
133.06447	0.1
135.04419	0.2
135.11678	0.1
136.07581	0.3
137.02319	1.1
137.06027	0.3
139.11166	0.9
141.01793	0.2
141.06960	0.2
142.08572	0.4
145.02826	0.5
145.04926	1.8
145.06105	0.2
145.06454	0.2
145.10086	0.2
147.04370	0.6
147.07977	0.2
151.03963	0.1
151.07530	1.3
152.07014	0.2
153.00560	0.2
153.01811	4.6
157.06430	0.5
157.12254	0.5
161.05965	0.5
163.11142	0.3
164.07021	0.2
165.01830	1.5
167.06987	0.2
169.06361	0.2
171.04341	0.3
175.07491	0.2
177.05360	0.2
181.12209	0.2
183.02875	1.0
183.13885	0.2
185.05913	0.6
185.09976	0.2
189.05461	0.3
189.12708	0.5
197.05980	0.2
203.03477	0.2
203.07002	0.5
207.13811	0.3
209.07964	0.2
213.05464	1.4
215.17931	0.2
222.08398	0.2
229.04935	0.3
231.06439	0.6
233.18958	0.1
241.04927	1.0
243.06427	0.2
255.15790	0.7
257.04318	0.2
258.05234	1.3
259.05994	0.5
269.04385	0.2
269.21198	0.2
273.16901	0.1
278.78674	0.1
287.05450	100.0
288.05795	3.5
291.09827	0.2
299.05453	0.5
303.04953	4.2
329.06406	0.5
337.01828	0.1
353.06393	0.2
431.09912	0.2
449.10144	0.2
449.19992	0.2
449.38492	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	448.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	3.6
57.07062	5.9
67.05485	3.7
69.07053	3.8
70.97565	3.0
71.08602	2.7
74.38919	1.3
81.07016	2.1
81.54346	1.3
83.08602	3.3
85.10152	2.2
91.05463	1.5
93.07026	2.0
97.10153	2.2
107.08548	1.4
109.10154	4.2
112.12062	1.6
119.08556	2.7
121.06474	14.5
123.08050	1.8
135.08011	1.7
136.08813	15.2
137.09601	13.2
141.37016	1.3
149.02295	3.5
150.02637	2.9
159.58331	1.5
164.08290	31.7
165.09087	100.0
166.09453	2.7
177.09259	1.7
200.48146	1.3
205.12228	8.9
216.18488	1.3
241.71213	1.4
270.52713	1.3
303.05038	3.5
430.37964	80.3
431.38208	3.3
448.38544	6.4
466.71921	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	449.107
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.79082	0.2
55.01847	0.3
57.03414	0.7
61.02916	6.3
68.99771	0.6
69.03430	1.2
70.24410	0.2
71.04977	0.4
73.02903	1.7
79.05463	0.3
81.03393	0.5
84.08132	0.3
85.02892	6.1
86.09715	0.2
91.03938	3.4
91.05429	0.2
95.08607	0.3
97.02873	2.9
98.20693	0.5
99.04433	0.4
105.03356	0.3
105.06966	0.3
107.04942	0.5
107.08577	0.2
109.02895	0.3
111.00809	0.7
111.04433	0.2
114.43855	0.2
115.03914	0.3
119.08599	0.2
120.08095	0.2
121.02850	2.7
127.03877	0.9
129.06873	0.2
130.06537	0.2
133.02832	0.5
137.02313	0.8
137.09619	0.2
145.04921	0.8
145.06485	0.5
147.04366	0.7
153.01805	4.2
157.06418	0.5
157.07610	0.2
165.01787	1.8
183.02821	0.6
185.05931	0.3
213.05446	1.5
229.04890	0.3
231.06509	0.5
241.04866	0.7
244.09457	0.4
258.05148	1.2
259.05963	0.4
287.05447	100.0
288.05804	3.1
303.04922	2.7
318.10522	0.2
379.16199	0.3
449.07153	0.5
449.17960	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02341	0.3
55.01841	0.4
55.05470	0.5
56.04987	1.1
57.03407	0.4
57.05782	0.3
60.04475	0.4
60.05612	0.7
65.03903	0.6
67.05454	0.5
68.05007	0.4
69.03392	0.8
69.07005	0.3
70.06579	3.1
70.86490	1.1
71.04956	0.7
71.06926	0.3
72.08145	2.1
73.02879	0.4
74.06036	0.8
79.05453	0.7
81.03367	0.3
81.07021	0.5
82.06530	0.7
83.06060	1.0
84.04446	1.1
84.08124	2.5
85.02885	2.0
86.09677	1.8
87.04400	0.6
88.02196	3.1
88.03944	0.4
89.05975	0.4
91.05428	1.4
95.04911	0.6
95.06032	0.5
95.08577	0.5
97.02839	1.0
97.07573	0.5
102.05486	0.5
103.03871	0.5
105.03355	1.7
105.05732	0.4
105.06997	0.3
106.06490	0.6
109.02817	0.4
109.10136	0.3
110.07121	1.2
111.04834	0.3
111.05547	4.6
113.07051	0.8
116.07087	0.4
117.03288	0.3
119.04893	1.3
119.08529	0.7
120.03632	0.5
120.04446	8.6
120.08035	0.4
121.02812	0.7
122.06019	0.3
122.06886	0.4
123.04456	0.4
123.05479	0.9
124.03906	0.3
124.07552	0.9
126.06611	6.9
127.03863	1.0
127.04972	0.4
127.07386	0.5
130.06500	0.3
130.08607	1.9
132.04430	14.4
132.08052	0.6
133.05048	0.5
133.06120	0.3
134.02701	2.6
134.05977	5.4
136.07512	0.6
137.02304	2.0
137.04597	1.2
137.05937	1.6
138.05388	0.4
138.09036	0.4
140.07071	0.5
140.08104	0.8
141.06577	0.6
142.08575	0.8
145.02773	1.4
145.03825	0.4
146.02289	0.6
146.08090	0.5
147.04366	3.7
149.02293	0.4
149.05853	0.5
151.06120	5.6
151.07307	0.3
153.12737	0.4
154.04820	0.4
156.07637	0.7
158.05899	0.4
161.07030	0.5
162.06638	0.6
163.03822	0.6
165.09029	1.6
168.08752	2.3
171.04311	0.3
175.03847	1.2
175.08670	0.4
177.05408	2.6
179.07001	0.4
185.05811	0.7
185.07245	0.6
202.07951	0.7
202.09705	9.6
207.06454	1.2
213.05479	1.7
214.09776	0.4
216.11278	2.5
227.09093	0.6
230.09213	6.6
231.06461	0.9
231.12390	1.1
232.10791	3.7
233.07910	0.5
241.04837	0.7
242.09143	2.7
243.13371	0.3
244.13715	0.3
256.15591	0.3
257.10303	3.5
259.11844	57.0
260.12299	1.6
277.13049	1.6
284.11334	2.9
287.05429	100.0
301.14014	4.7
302.12402	25.8
303.04764	0.4
303.12524	0.4
319.15088	1.1
355.11154	0.3
362.18106	0.6
406.17130	10.0
407.17114	0.6
412.19254	0.4
430.18277	0.5
431.16693	0.7
448.19308	79.7
449.10602	2.6
449.19934	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	447.3826
Annotation	13'-hydroxy-alpha-tocopherol
Peak:m/z	Relative Intensity
55.05271	3.2
55.05503	40.5
57.07067	71.3
67.05479	7.4
69.07059	95.6
71.08239	3.7
71.08621	60.1
71.24570	5.1
79.05492	2.6
81.07050	15.6
83.08607	72.0
85.02913	2.7
85.10176	31.4
87.03297	2.1
93.07022	8.4
95.08572	9.1
97.10154	61.1
99.11718	5.7
105.07010	3.1
107.08575	12.0
107.60059	2.4
107.67665	2.1
109.10121	6.9
111.11702	46.9
119.08560	3.8
121.10086	2.5
121.13268	2.1
123.08067	4.3
123.11657	3.8
125.13249	17.4
131.08569	3.1
135.08067	12.5
135.11668	3.5
137.09593	7.1
139.07500	21.4
139.14766	5.3
149.09587	9.5
149.13234	2.4
151.07524	16.8
153.09091	12.6
153.16350	2.5
155.93991	2.2
159.11708	3.0
163.07491	2.9
165.09099	64.1
165.10510	3.3
166.06288	4.3
167.06941	4.3
169.08585	9.2
169.19473	2.5
177.09100	10.4
177.12817	3.2
179.10606	5.3
179.60641	2.5
181.08551	30.1
184.58124	2.2
191.10686	8.6
205.12160	8.5
219.13918	2.2
230.24652	3.4
370.69440	2.6
429.37253	27.3
447.21603	3.6
447.38229	100.0
448.38367	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.4
55.01857	2.5
55.05501	12.5
57.03426	13.6
57.07054	2.3
65.03927	1.3
67.05492	38.0
67.28185	0.7
69.06724	1.0
69.07062	12.2
71.02966	1.6
71.03304	1.5
71.04953	0.9
71.08621	1.5
73.41138	0.7
75.20209	0.7
79.05477	21.3
81.07041	36.4
81.07524	1.7
83.04984	0.8
83.08603	6.8
85.06554	1.0
91.05458	10.3
91.81051	0.9
93.06472	1.4
93.07028	22.0
95.04948	1.9
95.08589	27.3
97.06516	1.7
97.10149	3.3
98.98449	6.8
99.48585	0.9
105.07019	8.2
107.08572	13.3
109.10139	16.3
111.08057	1.5
112.99996	61.1
117.06979	3.6
119.08562	6.6
121.10120	11.9
123.08064	0.8
123.11691	5.5
129.05450	1.4
131.01033	1.7
131.08560	4.6
133.10106	5.1
135.11681	8.4
136.99956	5.2
137.13199	1.6
138.70175	0.7
145.10080	3.3
147.11609	3.6
149.13229	4.6
155.00998	4.9
159.11655	3.3
161.13245	2.3
163.14789	2.2
169.02585	20.7
173.13240	4.5
175.14821	0.9
177.16362	1.4
187.03667	7.0
187.14828	1.6
201.16258	1.1
211.03542	1.5
219.21095	0.9
233.22604	0.8
237.22119	0.8
243.21014	6.9
261.22089	15.0
267.59634	0.9
299.23480	0.8
311.25668	3.7
317.24768	5.3
335.25732	100.0
336.26041	6.4
343.16901	0.8
447.24973	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.383
Annotation	13'-hydroxy-alpha-tocopherol
Peak:m/z	Relative Intensity
55.05505	43.6
57.07069	76.5
67.05500	8.0
69.07061	94.8
69.29774	18.1
70.07397	1.7
71.08626	59.7
79.05474	3.9
81.07052	15.6
83.08611	68.8
83.09114	3.7
84.08925	1.8
85.10176	30.1
91.05447	2.5
93.07041	5.0
95.08614	10.4
97.10158	57.5
99.11723	3.6
105.07011	4.0
107.08588	16.1
109.08564	1.8
109.10146	7.6
111.08064	2.9
111.11710	46.9
113.13245	2.0
119.08581	3.7
121.06487	5.1
121.10119	2.5
122.07327	2.3
123.08047	2.9
123.11681	3.3
124.68846	2.0
125.13254	16.5
127.14803	2.5
131.08543	1.7
133.19093	1.6
135.08040	19.5
137.09613	10.3
138.06747	4.2
139.07523	23.0
139.14807	5.1
145.10141	2.1
149.02261	2.2
149.09549	13.7
151.07510	16.6
153.09084	16.2
159.11667	2.6
163.07565	8.9
163.11148	8.3
165.09094	95.1
166.06247	3.0
166.09431	2.1
167.07062	3.7
169.08594	8.9
173.13297	2.9
175.11186	2.3
175.52161	1.7
177.09085	11.5
179.10638	4.2
181.08565	29.4
182.08827	1.9
187.11151	1.9
190.09866	2.2
191.10663	10.4
205.12273	10.9
207.19431	1.8
219.13745	2.2
233.15399	1.9
235.12494	1.7
255.23270	1.6
257.95193	1.8
394.74994	2.0
401.38153	2.9
429.37238	40.1
430.37509	2.4
447.38300	100.0
448.38596	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	447.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.9
55.01847	3.1
55.05508	5.4
57.03417	4.5
59.04993	1.5
62.36577	1.1
65.03939	1.1
67.05486	10.2
69.03415	41.7
69.07045	3.8
70.06568	1.5
71.04979	1.4
71.27695	2.7
73.02888	1.3
75.04456	3.0
79.05477	22.9
81.03408	5.7
81.06596	1.4
81.07042	14.3
83.04958	3.5
85.02882	8.1
88.22930	1.1
89.56281	1.2
89.98412	1.2
91.05444	24.2
93.07026	100.0
95.04948	11.1
95.08595	19.0
97.02876	63.1
97.03516	2.5
97.06515	4.0
105.04501	2.3
105.07013	25.1
107.04951	1.9
107.08560	23.4
108.81097	1.2
109.06480	3.7
109.10134	5.3
110.00769	1.1
111.04402	2.8
111.08041	5.9
115.03907	8.1
115.05424	2.0
116.06196	2.1
117.06989	7.2
119.08564	37.1
121.06519	6.1
121.10123	68.2
122.10458	1.6
123.04392	1.6
123.08064	4.8
123.11663	2.1
125.09573	1.7
127.03890	1.2
128.06198	2.8
129.06978	3.6
131.08545	16.9
133.10138	11.7
135.08011	4.5
135.11646	2.7
137.05949	1.4
139.11121	9.6
141.06897	1.4
142.07791	2.5
143.08516	8.8
145.06483	2.0
145.10100	12.0
147.08005	6.2
147.11661	5.3
149.02338	2.7
149.09599	19.1
151.07568	1.8
151.11096	1.6
155.08499	4.7
156.09337	1.4
157.10117	10.1
159.08029	2.8
159.11703	11.9
161.09605	5.1
163.11162	1.8
165.09073	2.9
167.10663	3.6
169.10069	2.0
171.07997	2.8
171.11650	6.2
173.09645	2.9
173.13239	4.6
175.07428	1.4
175.11134	3.7
175.14751	1.2
177.09052	1.6
179.10602	1.7
181.10065	3.3
183.11652	3.9
185.13142	5.8
187.11121	1.9
187.14763	4.1
189.09039	1.7
189.12848	1.5
191.10654	1.6
193.04987	3.5
195.11684	1.5
197.13243	1.6
199.11133	4.9
201.12709	1.4
203.10663	1.5
205.12164	1.4
209.13251	2.3
210.81342	1.1
211.14816	3.1
213.12749	1.5
213.16356	5.9
215.14313	1.4
217.12262	4.3
223.14857	1.8
227.10648	2.1
227.14186	2.0
237.07503	2.3
237.61423	1.1
239.14346	1.8
241.15839	4.9
241.19446	3.9
245.11722	4.2
251.18031	1.5
259.16907	2.2
263.12723	5.2
269.18970	12.0
279.17468	1.5
281.13724	9.7
287.19968	12.0
297.18411	11.6
315.19525	4.7
333.20612	2.6
343.04553	1.6
383.22192	2.0
401.22800	1.9
411.21506	3.0
429.22607	9.5
447.23456	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	447.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	7.5
55.01846	4.7
55.05505	4.9
56.05023	4.3
57.03423	8.0
59.61236	2.1
60.04530	2.1
61.01143	2.7
61.02922	4.6
67.05494	4.5
69.03412	12.1
70.06585	27.7
71.01350	2.0
71.04971	6.5
71.51916	3.5
72.08147	45.0
73.02895	9.5
74.06058	17.0
79.05473	5.2
81.03413	18.3
81.07034	3.3
82.06565	2.9
83.01258	2.1
83.04966	3.8
84.04500	6.0
84.08128	18.5
85.02893	88.8
86.06007	2.9
86.09694	34.9
87.04446	2.4
88.02183	2.7
88.03979	3.9
91.05426	6.8
93.07034	5.1
95.04910	2.2
95.08618	2.8
97.02883	21.8
97.06628	2.1
99.04448	41.0
100.07592	6.1
101.07085	2.1
103.03929	100.0
103.05423	6.1
105.01818	3.1
105.07018	4.8
106.11235	2.1
107.08580	3.1
109.02862	38.9
109.06451	2.8
109.10130	3.0
110.07135	9.3
111.04406	7.1
112.07636	2.4
112.11232	2.3
115.05410	8.5
116.07071	5.7
117.03345	2.9
119.04891	5.8
119.08546	8.0
120.08088	2.8
121.06461	4.3
123.04417	5.6
123.08115	2.2
124.07561	7.5
125.02303	4.7
126.05545	3.3
127.03901	83.7
129.10202	5.8
130.08669	2.7
131.04887	7.0
132.10202	3.2
133.02838	4.6
133.06429	3.6
134.02719	3.4
137.05946	12.4
139.03880	3.7
140.04652	12.3
140.07001	2.3
141.05254	4.1
142.08607	12.2
143.04903	3.7
144.06528	2.8
145.02806	8.1
145.04942	69.5
146.08083	8.4
147.04417	14.5
147.07967	4.2
149.02272	2.5
150.05492	4.8
150.07678	2.9
151.03844	5.6
151.07512	9.8
153.05412	5.8
159.04391	4.3
161.05945	6.1
163.03922	2.4
163.05997	18.7
163.07332	3.7
165.05470	8.5
167.05574	2.1
167.07047	4.9
169.04933	14.7
169.09753	2.2
171.04366	5.6
173.12915	4.0
175.03934	4.2
175.07516	7.5
177.05441	36.7
179.06990	6.2
185.16550	2.5
187.04568	2.1
187.06033	10.6
187.08707	2.8
187.10728	2.3
189.05426	8.1
189.08803	3.5
191.06984	9.0
191.37218	2.1
199.03874	6.0
199.07465	2.3
201.12473	3.5
203.07010	15.4
205.04987	3.2
205.06937	4.3
207.06494	39.0
213.12401	2.7
215.10272	3.6
215.13918	6.5
219.13510	2.5
231.06503	39.6
233.14932	13.9
247.08131	14.6
247.12785	4.9
249.07547	42.6
267.08521	7.9
267.11185	2.8
303.08511	5.9
315.04523	2.1
316.14987	3.6
330.16608	3.4
348.16626	2.4
361.02475	3.0
429.16977	2.6
429.22949	3.5
447.15973	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	447.0915
Annotation	Baicalein 6-glucuronide
Peak:m/z	Relative Intensity
55.01853	0.4
55.05473	0.6
56.68050	0.3
56.78214	0.3
59.04958	0.4
61.02919	2.1
67.01840	0.4
67.05473	0.4
68.99756	1.3
69.03400	0.6
70.83306	1.0
81.03393	0.5
81.07017	0.5
83.04953	0.5
87.04429	0.7
95.08573	0.4
109.02875	0.8
111.00793	1.7
119.88545	0.4
123.10675	0.3
127.25468	0.4
131.04912	0.5
137.02295	0.8
147.04367	0.8
149.02287	0.6
151.03865	0.4
152.88252	0.3
153.01797	12.5
155.04863	0.7
156.42227	0.3
159.04343	0.5
161.02277	0.8
161.05931	0.5
163.03790	0.7
165.01823	0.6
165.06886	0.5
171.04407	0.7
171.35492	0.4
173.05920	0.9
175.03876	2.0
177.05440	0.4
183.04410	0.5
185.05940	1.2
187.03862	0.9
189.01772	1.2
189.05547	0.7
191.03380	0.4
197.05891	0.5
199.03841	1.0
201.05382	1.1
203.03334	4.7
205.01387	0.3
207.02808	1.1
211.03862	0.8
213.05472	1.9
214.33949	0.3
215.03320	1.1
217.04816	0.5
221.06033	0.4
223.02235	0.6
225.05429	0.5
227.03439	0.5
227.07190	0.3
229.01387	0.4
229.04890	2.8
230.05746	0.4
231.02896	0.7
231.06476	1.1
239.03322	1.7
241.04904	2.5
243.02827	3.5
245.04350	1.1
251.07051	0.5
253.04900	1.3
255.02765	3.4
257.04388	2.2
258.05179	1.4
259.05908	2.2
263.06845	0.3
266.05698	0.8
267.03171	0.5
267.06479	1.3
268.03641	1.5
269.04367	3.8
270.05029	0.7
271.02307	0.7
273.03867	3.6
277.04782	0.7
281.04419	1.4
283.02399	2.4
283.05234	0.5
283.45877	0.4
285.03925	4.4
286.04684	4.9
287.05502	1.7
291.06357	0.4
293.04352	0.8
294.05228	0.7
295.05948	3.3
296.03107	4.0
296.06253	0.5
297.03870	13.6
298.04684	1.5
299.05237	0.4
300.02588	0.4
301.03387	4.5
305.04294	1.8
306.05240	0.4
311.01776	1.2
311.05380	0.8
313.03366	24.8
314.04120	8.1
315.04739	2.2
319.05908	1.1
321.03717	0.5
322.04626	0.9
323.05423	3.0
325.03375	2.4
326.04074	0.9
327.04807	1.4
328.01968	0.6
329.02887	10.4
333.03815	0.6
337.03238	0.5
337.06989	0.9
339.04999	1.2
341.02802	0.9
341.06494	6.8
343.04416	100.0
344.04807	2.9
347.05472	4.1
349.03574	0.5
350.04111	0.7
351.04941	5.7
353.02887	3.4
365.06525	1.6
367.04401	1.4
369.05966	8.1
375.05087	0.4
383.07724	0.5
385.05460	4.3
393.05969	39.6
394.06424	1.2
411.07007	22.1
412.07239	0.4
429.08087	3.4
447.09137	39.1
448.09473	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	446.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05006	0.8
57.03423	3.8
59.04988	68.4
60.04529	1.0
60.05314	0.8
61.02907	1.5
67.05472	0.8
67.97643	0.6
69.03407	2.6
69.07053	0.7
70.00172	2.2
70.00592	0.8
70.06581	5.9
71.04992	0.8
72.08131	2.4
72.35334	0.5
73.02901	1.2
74.06056	0.7
79.05459	0.6
81.03395	1.5
81.07037	1.4
83.04964	0.6
84.04487	1.0
84.08131	3.5
85.02888	10.8
86.09191	0.8
86.09684	5.9
87.04447	1.1
88.02190	0.8
89.06012	48.8
91.03860	0.6
91.05408	0.9
92.05784	0.7
93.07027	1.5
94.06554	0.7
95.04957	1.0
95.08578	0.6
97.02877	3.6
99.04446	0.8
99.08000	0.7
100.07608	1.3
103.03902	1.0
103.07545	2.8
105.06993	0.9
107.04906	0.6
107.07039	3.3
109.02841	1.8
109.06493	1.2
112.07558	1.7
117.03339	0.7
117.09120	8.4
119.08559	2.9
120.08087	1.6
122.05992	1.1
127.03889	2.1
129.10217	1.2
130.08591	1.7
131.04893	1.8
133.08568	14.3
134.05939	0.7
138.05446	0.7
140.07042	2.0
145.02805	1.1
145.04944	1.1
146.06078	0.8
147.04382	2.6
147.08049	1.3
151.09627	47.8
155.07008	0.8
161.11691	1.1
163.07439	0.9
167.97319	0.5
176.36349	0.6
177.05484	1.4
184.16943	0.8
191.12740	2.4
205.09724	1.5
209.13805	15.9
249.07550	0.8
249.16968	0.8
267.17972	100.0
268.18304	2.4
270.13519	0.6
285.12314	0.8
313.10522	0.7
315.04861	1.1
340.29327	1.0
360.02893	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	446.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23160	0.7
55.01869	0.8
57.03431	0.8
59.04986	7.4
60.04511	0.8
67.05482	3.2
69.03411	2.1
69.07063	0.9
69.26364	7.6
70.06576	6.7
71.04960	0.8
72.08124	2.5
73.02878	1.2
73.04738	0.9
73.06535	1.5
74.02434	0.6
74.06043	0.7
79.05463	1.7
81.03403	1.3
81.07047	2.2
83.04965	1.2
84.04493	1.8
84.08102	3.3
85.02891	2.8
85.41026	0.7
86.06062	1.7
86.09691	9.3
87.04455	36.9
88.02190	0.7
88.03978	1.3
89.06014	76.6
91.00850	0.7
91.05443	1.3
92.81568	0.7
93.07021	1.7
94.06538	2.6
95.04958	1.8
95.08570	1.6
97.02870	1.2
97.06530	1.2
99.04432	1.3
100.07620	1.0
101.02351	0.9
103.03922	100.0
103.05412	2.7
103.07553	3.0
104.04283	0.7
104.05302	0.7
105.06973	1.1
106.75858	0.7
107.04922	1.3
107.07041	3.2
107.08568	1.2
109.06544	0.9
110.07147	0.8
113.05981	1.0
117.07019	1.0
119.04899	1.1
119.07042	1.9
119.08561	1.2
120.08121	1.2
121.06444	1.0
121.08595	2.6
122.05997	14.1
123.04400	1.2
123.08077	0.8
127.03904	1.4
129.10266	0.9
130.08626	1.3
131.04918	4.1
131.07008	9.2
131.08556	0.8
133.08572	47.3
134.04477	1.6
134.08925	0.9
135.08025	1.2
136.07486	0.7
137.02330	1.4
137.05975	3.3
137.09616	0.9
139.07513	0.7
140.07016	2.1
141.05492	0.9
145.02853	1.1
147.04391	3.9
147.06474	10.2
149.05940	1.0
159.04420	1.1
161.06061	1.6
163.03844	0.7
163.07518	2.5
163.09659	3.7
167.07021	0.8
171.11372	0.8
173.12930	0.8
175.09645	6.1
177.05467	4.1
177.11177	18.1
189.05469	2.6
191.09084	8.1
193.06537	1.0
202.26768	0.7
203.06920	1.2
207.12201	4.7
211.07544	1.4
219.12306	1.6
221.05959	1.9
221.13855	3.2
221.67673	0.7
235.11703	8.9
237.13358	0.8
239.06909	1.5
239.14801	1.7
242.05672	2.0
266.14377	1.0
269.04477	1.5
269.15903	1.5
270.05164	17.1
271.09576	1.9
276.24304	0.9
279.14359	2.5
283.17444	1.7
285.07516	59.2
295.09579	1.0
297.15259	0.8
309.19220	0.9
313.10568	10.1
314.11206	1.1
315.05093	1.9
323.17255	1.2
340.25806	0.8
341.06592	2.8
341.18051	1.1
371.22794	1.3
383.22845	3.4
385.20425	1.9
411.22165	1.8
429.23245	23.2
437.65219	1.0
446.26645	1.2
447.12762	1.0
447.17880	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44710	1.2
53.03936	1.6
55.05495	2.4
56.05029	1.7
57.03415	2.1
60.49639	1.0
67.05483	4.1
69.03404	4.1
70.02949	1.6
70.06570	2.9
70.36605	4.6
71.04965	2.5
72.08137	3.5
73.02890	1.2
73.30015	1.1
74.02428	1.2
78.46627	1.1
79.05052	2.2
79.05479	25.9
81.07029	4.4
83.04986	2.0
83.08607	1.3
84.04498	1.4
84.08115	3.6
85.02888	4.5
85.21915	1.0
85.56219	1.3
86.06070	3.3
86.09692	4.5
87.04426	1.5
88.03969	9.7
89.06023	2.9
91.05434	11.1
93.07025	63.1
95.04946	3.7
95.08610	3.0
96.08092	1.5
97.02878	2.6
98.09668	1.4
99.04465	1.6
100.07652	1.4
101.78175	1.0
103.05430	1.9
104.08730	1.1
105.01863	1.2
105.07012	7.7
107.08570	23.6
109.02867	2.1
109.06503	1.4
109.10123	1.5
111.04433	1.2
116.10710	2.8
117.99725	1.0
119.08543	3.2
120.08100	1.3
121.06454	2.4
121.10118	100.0
123.08119	1.5
123.11671	1.8
126.05499	1.3
127.03905	2.7
131.08539	3.8
134.04454	12.0
135.08057	1.6
137.05943	2.0
137.09579	1.7
138.05461	1.6
147.08073	1.6
149.02321	2.6
149.09624	8.9
161.05896	1.2
163.03894	2.6
165.09106	2.1
183.14844	1.1
187.08876	1.7
197.11732	1.5
198.12076	2.6
218.11719	1.7
236.12740	5.3
264.12247	9.4
282.13293	38.2
283.13730	1.4
314.19479	2.0
324.10703	1.8
332.20560	2.8
360.03088	1.6
394.57773	1.5
446.21448	1.2
466.34573	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.3
55.01859	2.9
55.05494	3.7
57.03429	4.9
61.02915	4.4
67.05492	11.3
69.03416	15.9
69.51131	11.9
69.71551	1.8
70.06569	5.8
70.61995	1.4
71.04955	4.2
72.08125	1.4
73.02893	7.7
75.04458	1.3
76.02207	2.6
79.05479	4.3
81.03403	19.0
81.07036	6.9
83.04947	2.3
84.04506	1.6
84.08130	3.7
85.02890	88.2
85.62805	1.3
86.06056	2.0
86.09693	6.9
87.04459	2.0
91.05405	2.0
92.44234	1.6
93.07036	8.1
94.06567	2.2
95.04986	9.2
96.04469	1.6
97.02877	45.9
97.06505	1.8
99.04430	20.9
103.03924	45.0
105.07006	3.0
107.08593	4.6
108.08109	8.3
109.02857	20.4
109.06499	2.5
109.10147	1.6
110.06030	2.3
112.95961	1.5
116.10694	2.5
119.08563	2.3
121.10126	6.9
122.06013	9.7
122.09617	1.6
124.07564	2.6
125.05975	3.5
126.05483	4.1
127.03899	66.7
133.10132	2.1
136.07570	11.3
137.05975	1.7
139.11198	1.8
140.07043	77.4
145.04944	41.2
145.10083	2.3
149.02277	2.8
150.09091	9.6
152.07036	54.4
154.08563	3.6
163.03940	2.9
163.06021	9.2
163.11156	6.6
164.07010	13.1
167.10585	1.9
178.08618	33.2
179.04755	2.3
179.10638	2.0
182.08093	53.0
192.10194	3.8
197.11707	6.8
198.12079	8.5
202.08585	2.8
206.08086	100.0
218.08139	6.6
220.09593	2.5
229.07056	2.0
236.09090	18.9
247.08165	3.0
248.09119	39.0
249.50793	1.6
266.10187	38.5
271.08069	2.9
284.11261	11.3
302.12320	2.2
308.11151	2.3
332.20551	5.4
374.12378	3.1
392.13428	2.9
410.14709	1.9
426.59668	1.5
432.89774	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	446.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.9
55.01848	6.1
55.05481	3.3
57.03426	7.6
58.96016	2.3
61.02918	2.8
67.05492	10.8
69.03421	15.8
69.07039	2.5
70.06573	9.2
70.86540	6.5
71.04967	4.2
72.08144	3.3
73.02910	5.4
79.05483	4.3
81.03405	21.3
81.07025	6.5
83.04970	3.2
84.04453	2.6
85.02892	86.2
86.06036	4.7
86.09687	29.0
87.04445	2.3
87.10020	5.2
87.22279	2.4
91.05413	2.3
93.07033	2.7
95.04948	8.4
96.04456	2.8
97.02882	48.2
97.06505	2.4
99.04437	25.2
103.03928	40.6
105.01878	2.6
105.06998	4.6
107.08551	4.1
108.08109	11.1
108.08865	4.1
108.33018	2.4
109.02843	20.8
112.07553	3.0
116.10692	6.8
117.37475	2.2
118.47500	2.1
121.10117	3.0
122.05986	8.2
124.07570	2.7
125.05968	2.8
126.05511	5.1
126.09120	3.1
127.03896	63.7
130.08643	2.8
134.10402	3.2
136.07545	9.0
137.09584	4.8
140.07040	80.9
145.03902	3.3
145.04948	38.9
149.02312	40.5
150.09094	9.0
152.07039	54.1
154.08530	2.9
163.03879	28.8
163.06036	5.9
163.11119	6.7
164.06998	11.7
178.08585	30.3
180.11055	3.1
181.04953	18.1
182.08092	51.3
192.10162	4.2
194.08202	2.5
197.11720	8.8
198.12059	13.0
206.08092	100.0
207.08379	2.6
218.08163	3.6
220.09601	8.2
223.40701	2.4
227.17560	3.8
229.07133	2.7
236.09134	20.3
237.10062	3.0
247.08141	4.3
248.09149	36.1
260.09164	2.9
266.10159	35.8
278.10202	4.4
284.11237	10.6
314.19632	2.6
328.13504	2.8
332.20654	13.2
392.13470	3.4
412.02008	3.2
428.17834	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	445.3662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.8
57.07058	2.3
65.92310	0.3
67.05478	0.9
69.06720	0.5
69.07053	6.2
70.46703	1.3
70.47048	0.4
71.08586	0.9
81.07034	1.8
82.36617	0.3
83.08199	0.4
83.08595	3.7
85.10161	0.4
93.07038	0.5
95.08553	1.4
97.10156	2.2
105.06976	0.5
107.08536	1.0
109.10108	1.5
111.11649	1.0
119.08521	0.6
121.10117	0.5
121.47118	0.3
123.11652	0.4
125.13246	0.6
131.08505	0.4
131.72954	0.4
135.07990	0.8
135.11662	0.4
137.09546	1.6
139.07434	0.5
149.09578	2.7
149.13205	0.3
151.07504	0.4
161.09570	0.4
163.11160	1.8
165.09081	26.3
175.11093	0.9
177.09032	1.8
187.11015	0.7
189.08923	0.7
189.12630	0.5
191.10622	2.1
199.11111	0.5
203.10558	2.3
203.14230	0.6
205.12175	3.5
207.09129	0.5
216.11360	0.4
217.12193	0.3
219.13704	0.7
231.13669	1.1
245.55580	0.4
289.21536	0.5
340.87683	0.4
345.27597	0.5
360.14737	0.5
362.15714	0.4
371.12796	0.8
372.13586	1.3
373.14426	1.8
374.14908	1.0
375.16171	0.4
384.14615	0.4
385.14874	0.5
386.15106	2.3
387.15982	5.6
388.16669	1.8
389.17426	1.1
400.12726	0.7
401.13547	1.5
401.18192	3.4
402.13535	0.4
402.18509	3.2
403.19171	2.6
409.34711	0.4
414.14401	1.5
415.15125	8.4
416.15085	2.9
416.19879	1.9
417.16461	1.7
417.20569	3.0
418.21243	1.5
427.35574	6.1
428.15875	0.6
428.36145	1.5
429.16653	5.5
430.17432	10.7
431.18243	4.9
436.08191	0.4
444.18939	1.1
445.19907	100.0
446.20633	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	445.3667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64062	0.8
55.05500	9.3
57.07061	6.3
67.05499	4.9
69.07057	17.4
69.23832	5.7
71.08614	4.3
76.91087	0.6
79.05485	2.2
81.07042	7.8
83.08602	11.2
85.10190	1.4
91.05441	1.5
93.07040	3.9
95.04930	0.7
95.08590	6.9
95.12524	0.7
97.10157	5.2
105.07006	2.2
107.08592	3.5
109.10139	6.8
111.11702	2.8
119.08572	2.8
121.06516	1.8
121.08821	0.7
121.10130	2.1
122.07217	1.0
123.08050	1.5
123.11697	2.5
125.13265	0.8
133.10037	1.1
134.34572	0.6
135.08054	1.9
135.11685	0.9
136.08839	2.1
137.05843	0.8
137.09590	9.8
139.07526	2.7
145.10080	1.2
149.09595	7.4
149.13234	2.2
151.07549	1.4
157.10149	1.2
159.11711	1.1
161.09630	1.5
163.11151	6.9
163.14771	1.1
164.08304	4.2
165.09084	100.0
166.09425	1.9
173.09505	1.4
173.13168	1.0
175.07484	0.7
175.11218	3.0
176.08279	0.7
177.09105	6.4
179.10719	1.1
187.11043	1.1
189.09048	2.2
189.12711	1.5
190.09834	1.3
191.10602	5.1
199.11037	0.9
201.12733	1.2
203.10590	3.8
203.14241	1.5
205.12202	8.9
213.12779	0.7
217.12094	1.0
217.15773	0.7
219.13766	2.7
231.13622	3.1
248.04790	0.7
275.27200	0.9
289.21390	0.8
303.23029	0.7
386.15094	1.0
387.15732	2.8
388.16620	1.1
389.17084	1.1
399.32303	1.3
401.17346	2.4
402.18320	1.4
409.34787	1.1
410.48953	0.6
415.14880	5.2
416.15790	2.1
417.16406	1.1
417.21344	0.9
418.20941	0.7
427.35590	10.8
428.36447	7.3
429.16748	3.2
430.17407	6.0
431.18307	3.0
444.18829	1.1
445.19897	47.3
445.36636	7.3
446.20490	15.5
446.37384	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	445.221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.2
55.01855	4.4
55.05504	5.1
57.03415	2.0
65.03934	3.6
67.05495	8.8
69.03419	40.7
69.07047	1.7
70.80529	2.4
71.01319	1.2
71.04991	4.9
73.04751	1.2
73.49164	1.2
77.03899	1.6
79.05482	31.2
81.03408	6.2
81.07041	12.6
83.04951	3.6
85.02893	11.0
88.18680	0.9
91.05460	52.7
92.05846	1.1
93.03407	2.3
93.07027	100.0
95.04951	11.4
95.08587	20.5
97.02874	77.9
97.06538	2.1
99.04458	1.8
103.05430	2.8
105.04502	1.9
105.07015	23.8
107.04956	4.4
107.08574	21.9
109.06504	5.6
109.10152	3.8
111.04417	2.8
111.08087	2.5
115.03917	5.4
115.05433	4.1
116.06210	1.6
117.07005	14.9
119.04956	2.0
119.08560	62.0
121.06483	6.1
121.10124	58.1
123.04405	1.7
123.08048	3.9
123.11664	1.8
128.06177	2.9
129.05464	1.8
129.06989	7.9
131.08545	16.4
133.06526	1.8
133.07527	1.5
133.10124	5.8
134.09312	1.1
135.08035	4.6
137.05956	1.5
137.09613	3.3
141.06995	1.4
142.07759	2.6
143.08586	6.2
143.35420	0.9
144.09427	1.2
145.06497	4.0
145.10129	6.7
147.08025	23.7
147.11667	2.5
149.09596	27.1
149.10741	2.0
151.07539	3.0
153.06972	1.1
155.08551	3.8
156.09335	1.8
157.10091	5.5
158.07317	1.4
159.08055	2.2
159.11642	3.4
161.09590	4.0
163.07520	2.8
165.09076	10.8
167.10710	2.7
169.04919	1.7
169.10110	2.4
171.07993	2.0
171.11630	4.9
173.09610	3.2
173.13235	2.3
175.11256	2.2
179.08658	1.2
181.10129	1.4
183.11661	3.5
185.13216	1.9
187.11188	2.2
187.14771	1.3
189.09068	1.3
189.12729	1.3
197.09628	2.0
197.13229	2.0
199.11116	6.3
201.09030	1.5
201.12756	1.7
211.14793	1.5
213.12749	1.6
215.10732	3.1
217.12263	2.7
227.10719	1.4
229.12074	1.4
231.13817	1.3
237.16211	1.2
239.14394	1.5
239.17857	3.0
243.10062	1.2
245.11681	2.7
257.15433	2.1
261.11215	1.8
263.12711	8.7
267.17365	5.9
277.15619	1.6
279.12158	1.9
281.13806	6.8
283.16898	1.1
285.18552	3.7
295.16888	4.9
295.77301	1.0
311.16162	1.2
313.17813	5.1
427.20950	4.3
445.22061	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	445.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29559	1.3
53.03940	4.5
53.04375	1.4
54.85103	1.3
55.01859	6.0
55.05499	8.7
57.03423	13.6
67.05490	9.2
69.03041	1.9
69.03418	26.9
69.07056	4.1
69.31009	3.9
69.31417	10.4
71.01344	5.9
71.04980	47.4
73.02912	2.6
73.04720	1.9
75.04466	6.2
79.05486	16.6
81.03413	4.2
81.07043	16.7
82.07319	1.5
83.04967	10.9
83.08591	1.4
84.08121	5.1
84.20752	1.5
85.02892	75.5
86.09705	1.7
87.04460	6.4
91.05412	24.1
93.07027	100.0
95.01402	1.4
95.04956	11.5
95.08588	17.5
97.02873	31.4
97.03445	2.6
97.06505	3.6
99.04443	2.5
103.03922	1.7
103.05438	2.2
105.07006	18.7
107.04932	2.2
107.08564	16.9
109.02876	2.7
109.06495	3.9
109.10132	4.2
111.04410	8.8
111.08058	8.8
115.03909	12.9
117.06997	5.0
119.08560	28.3
120.08103	1.5
121.06474	5.2
121.10120	77.2
123.08036	4.1
123.11721	3.9
125.05997	2.8
125.09604	2.3
129.05463	21.5
129.06955	3.6
131.08533	13.4
133.06494	1.8
133.10114	5.6
135.08018	7.7
135.11671	2.7
137.05962	4.6
137.09570	2.8
139.11163	6.5
140.40071	1.5
141.07007	1.8
142.07765	2.8
143.08524	6.5
145.10123	6.2
147.06502	4.4
147.08015	7.6
147.11641	3.2
149.09586	26.5
149.93517	1.5
151.07539	14.0
157.10100	4.9
159.08089	2.4
159.11656	2.7
161.09578	4.2
161.13213	2.1
163.07594	1.7
163.11217	1.6
165.09097	6.1
167.05568	3.7
167.10645	13.4
169.10191	1.5
171.11671	2.3
173.09583	3.2
173.13083	1.8
175.11154	1.8
176.70132	1.5
177.09047	2.1
179.08397	2.1
183.11661	2.6
185.13174	2.0
189.09061	2.3
191.10703	3.1
197.13345	2.8
199.11177	2.5
211.14809	1.7
213.12883	1.4
217.12238	3.6
231.13831	3.1
263.12762	3.3
267.17514	2.7
281.13794	17.6
285.18570	2.1
295.16891	2.9
299.14853	4.8
359.02896	4.9
413.08704	5.8
414.28732	2.0
417.57605	1.6
427.10468	1.7
427.19650	1.7
445.20993	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	445.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51850	0.5
53.03924	1.7
55.01847	1.7
55.05492	1.7
57.03419	2.5
58.99578	1.3
60.04513	0.5
61.02905	1.3
65.03929	1.0
67.05498	3.0
68.99763	0.8
69.03410	8.0
69.07038	1.7
69.96359	0.5
70.06578	2.8
70.84180	1.4
71.04965	1.6
72.08115	1.7
73.02883	2.2
73.04720	1.0
74.00650	0.6
74.06037	0.6
76.02209	1.3
79.05476	2.9
81.03404	6.9
81.07037	3.3
83.04952	1.7
83.08566	0.5
84.04467	1.0
84.08118	1.9
85.02888	15.0
85.06517	1.1
86.09281	0.6
86.09692	6.3
87.00813	3.9
87.04424	0.7
88.03986	0.6
89.06017	1.1
91.05444	3.4
91.05850	1.5
93.07022	6.9
95.04941	1.7
95.08591	3.3
97.02880	5.9
97.06494	1.3
99.04433	3.5
99.08034	0.6
100.02198	0.5
105.00072	0.7
105.01833	2.8
105.07002	6.4
106.82038	0.5
107.04938	0.8
107.08569	25.5
108.08850	0.7
109.02863	7.4
109.06494	2.1
109.10125	2.9
110.07108	0.6
111.08044	0.6
115.03899	0.8
117.06995	1.1
119.08566	5.5
120.08057	1.3
121.02809	1.1
121.06482	3.7
121.10128	5.9
122.02728	4.7
123.08039	1.2
123.11682	0.8
124.07601	3.0
125.09586	0.8
126.05507	0.6
127.03896	9.7
127.59565	0.6
129.07016	0.6
131.08563	1.6
133.06468	0.5
133.08553	0.9
133.10101	15.3
135.08015	1.8
135.11646	1.3
137.05965	1.1
137.09596	6.6
139.07503	1.1
143.08511	1.2
145.04950	2.0
145.10098	0.8
147.11673	1.0
149.05957	3.2
149.09592	4.4
151.03876	0.6
151.07495	1.7
151.11147	6.8
153.05452	2.3
159.02852	2.2
159.08049	0.7
161.05916	0.8
161.09567	4.6
162.07559	0.5
162.85942	0.5
163.11234	0.9
167.05502	1.4
167.06924	1.2
167.10649	11.1
169.07590	1.5
177.12663	0.8
179.10631	15.0
181.08540	3.3
181.42383	0.5
182.10272	0.5
183.05580	1.4
185.13107	0.9
187.11168	0.7
191.10654	0.6
193.07697	0.5
194.08160	0.7
195.05493	0.9
197.11693	100.0
198.05319	0.6
198.12013	1.9
213.03886	1.6
213.06587	1.5
221.07083	0.6
221.18114	0.5
225.04318	0.7
225.06557	2.2
229.06036	1.5
231.04897	2.9
239.08081	1.6
247.13283	0.8
248.13763	0.6
267.07678	0.8
271.07059	1.7
277.05933	0.6
285.08670	1.7
295.07086	2.7
313.08133	2.3
359.02850	3.1
381.12396	0.6
385.11334	1.1
410.09692	1.2
427.11572	2.7
428.10693	0.7
445.12439	1.9
445.17886	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.6
55.01858	7.8
55.05499	9.6
57.03431	14.2
57.07059	1.7
58.41492	1.5
59.86605	1.6
61.02907	2.9
62.60059	1.6
65.03912	2.4
67.05488	10.3
69.03418	33.6
69.07051	5.1
69.31945	8.7
69.32358	5.7
70.06570	1.7
71.01334	4.1
71.04984	10.4
73.02895	5.4
75.04459	6.3
77.26899	1.5
79.05054	2.5
79.05479	25.9
80.90049	1.6
81.03385	10.5
81.07038	17.2
83.04963	8.3
83.08610	2.9
84.08117	8.0
85.02888	32.7
85.06531	3.5
86.06037	11.4
86.09689	3.1
87.04426	4.9
88.03975	4.8
91.05461	25.1
93.03396	1.7
93.07025	85.3
94.07348	2.2
95.04948	10.0
95.08590	16.7
97.02870	39.1
97.06510	3.9
98.09673	3.0
99.04440	4.2
99.08057	1.7
100.07625	2.7
103.03970	1.8
103.05412	2.3
105.01867	2.3
105.04562	2.0
105.07012	20.8
107.04946	5.0
107.08560	18.1
109.02857	3.7
109.06480	3.7
109.10130	5.5
111.04423	4.5
111.08049	4.0
115.03896	15.6
116.10728	10.4
117.07018	6.7
119.08559	54.7
120.08858	2.5
121.06479	4.2
121.10119	100.0
122.10498	2.3
123.08021	4.8
123.11692	3.2
123.72175	1.6
125.05924	3.4
127.03902	8.4
129.05472	4.8
129.06943	4.7
131.08516	11.1
133.06471	2.1
133.10080	6.8
135.08061	4.3
135.11647	2.0
137.09576	3.2
139.11139	4.0
143.08556	4.1
145.04967	3.4
145.10092	6.8
147.08009	13.0
147.11665	3.0
149.05934	2.8
149.09592	55.7
151.07509	4.7
151.11125	1.7
157.10158	2.3
159.08047	3.1
161.09627	5.2
161.13213	2.4
162.07645	1.8
163.07484	2.1
163.11115	3.7
165.09088	15.6
167.10625	15.1
169.04979	1.7
171.08011	3.7
171.11641	1.9
173.09660	2.7
173.13300	2.2
175.11212	4.1
177.09155	2.0
187.14806	1.7
189.09088	3.3
189.16454	1.8
190.12216	5.3
191.10620	4.8
232.13358	2.8
260.99298	1.7
263.12680	3.0
281.13739	18.3
288.83295	1.9
293.13803	1.8
299.91202	1.7
313.08047	2.9
370.35086	1.7
396.02484	1.7
425.17188	3.9
425.26056	2.4
443.18356	3.7
443.27469	13.4
443.38846	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	443.3876
Annotation	Taraxast-20-ene-3beta,30-diol
Peak:m/z	Relative Intensity
53.03955	2.3
55.05507	22.0
55.52199	2.3
57.07060	6.9
59.04977	4.8
67.05493	40.1
69.03412	2.6
69.07058	70.2
69.79092	8.8
69.79507	6.7
71.04979	13.8
71.08570	2.4
72.06636	2.2
79.05475	21.9
81.06583	4.7
81.07044	85.1
83.08616	15.2
85.06503	3.1
87.04462	3.5
89.69233	2.5
91.05466	18.7
93.07032	65.1
94.78303	2.4
95.04945	2.5
95.08594	100.0
96.54084	2.8
97.06523	6.0
97.10149	7.6
98.21485	3.1
99.08070	5.0
105.07013	35.6
107.07864	4.6
107.08579	74.4
109.06485	2.9
109.10143	93.0
111.08060	5.2
111.11705	27.9
119.08571	34.6
121.10124	54.0
123.11687	34.8
125.09618	5.0
127.11155	24.4
131.08553	5.4
133.10107	24.3
135.11661	55.7
137.13249	13.1
139.11171	3.8
141.12744	2.8
145.10107	12.1
147.11652	23.7
149.13239	42.4
153.12723	10.9
159.11708	14.7
161.13274	18.0
163.14790	17.5
167.14249	5.8
171.11635	2.8
171.57204	2.5
173.13284	9.6
175.14838	13.7
177.16310	21.5
181.15761	2.9
187.14795	11.6
189.16319	11.2
191.17920	6.7
193.15892	5.1
195.17464	6.5
199.14714	3.2
201.16374	7.9
203.17973	12.8
205.19565	3.2
215.17888	9.0
217.19586	10.1
229.19524	7.3
231.20995	5.5
233.19012	3.1
244.70570	2.5
245.22403	2.5
257.22574	4.0
259.24127	5.1
271.24240	5.5
275.23581	2.8
285.25793	3.7
303.26678	5.3
339.30283	3.6
343.29990	2.7
357.31735	3.4
407.36722	5.6
425.37997	22.2
443.33807	9.8
443.38760	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	442.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
64.53844	3.1
69.76932	4.1
70.03911	17.7
80.41286	3.5
82.06563	9.0
84.08128	35.5
100.07597	9.5
130.08617	16.9
146.08069	9.2
152.06877	8.4
162.56616	3.2
168.04202	100.0
168.06354	12.4
170.06569	15.3
172.04631	3.8
184.03682	63.2
186.04408	9.8
188.07809	4.5
202.03903	5.2
204.05475	8.0
217.11850	3.9
225.10782	4.6
235.12854	6.8
241.10353	4.8
251.12561	5.3
253.10289	9.0
253.14204	4.2
257.13568	5.0
269.09668	4.7
283.11371	10.3
287.10840	8.5
297.13126	6.2
301.12354	10.3
313.12265	11.6
315.08963	5.2
315.13855	31.0
331.13339	26.6
333.15112	35.3
349.14798	18.8
442.12067	4.7
442.20056	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	442.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
66.42469	3.6
69.43550	21.5
69.43966	10.2
72.07779	3.2
81.05656	3.5
82.06529	5.4
84.08137	39.0
100.07620	4.6
101.49899	3.3
130.08623	59.2
130.14902	3.6
146.08101	9.7
152.06833	7.7
168.04195	100.0
168.06294	16.4
170.06604	6.0
173.72528	3.5
184.03693	57.3
184.49889	3.5
235.12735	5.1
269.09845	4.9
279.11893	4.6
297.12927	4.7
313.12909	3.8
315.13995	20.3
316.14682	4.0
331.13278	10.8
333.14969	23.5
349.14261	5.1
442.12518	6.2
442.20129	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	442.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.7
55.01855	6.2
56.85141	1.1
57.03421	15.3
59.04972	2.8
60.50987	1.1
61.02644	1.4
61.02917	14.5
64.19590	1.1
67.05479	3.9
69.03415	35.2
69.07059	3.8
70.06570	3.2
70.66073	1.1
71.01328	3.4
71.04979	5.8
73.02903	69.1
75.49767	1.3
76.87145	1.2
79.05473	2.5
81.03399	8.0
81.07040	5.8
83.04955	1.8
84.04486	2.4
84.08104	4.2
85.02891	100.0
86.03211	1.4
86.09692	1.9
87.04441	4.2
91.03938	6.1
91.05439	4.3
93.07007	6.5
95.04938	2.4
95.08591	3.8
97.02874	58.2
99.04436	5.1
103.03918	2.7
105.07000	5.7
107.08562	3.2
109.02840	9.1
109.10104	1.9
111.04372	1.5
113.19849	1.2
115.03906	30.0
119.08556	4.5
120.08054	1.7
120.08925	1.4
121.06496	1.3
121.10096	4.0
127.03901	32.4
129.05420	1.6
133.04938	37.6
133.08598	1.8
133.10098	2.7
134.10440	1.8
135.11665	2.3
137.09575	1.2
145.04936	63.1
145.10080	2.3
147.08025	3.3
147.11681	2.4
150.07571	3.3
151.07611	1.3
159.07988	1.3
159.11781	1.2
161.09602	1.9
163.06001	22.2
165.09087	8.6
166.09407	2.3
175.07515	1.6
191.10597	1.6
193.05009	1.9
199.06058	2.0
223.05984	7.9
241.07066	8.5
259.08026	10.4
277.09204	3.1
293.19489	4.0
295.10117	4.4
346.36777	1.3
349.33444	1.3
425.17429	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	442.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.0
55.01857	2.6
55.05490	3.4
56.05019	1.2
57.03150	1.4
57.03425	24.3
59.04987	7.7
61.02920	14.6
67.05486	4.6
69.03419	31.9
69.07043	2.4
70.03735	1.1
70.06581	3.3
71.01337	2.3
71.04968	3.2
71.53452	2.3
72.42690	1.0
73.02905	57.1
75.04456	1.7
79.05479	4.1
81.03405	8.5
81.07042	6.5
83.04945	3.3
84.04447	1.5
84.08114	4.1
85.02892	100.0
86.03201	1.5
87.04446	5.2
89.06013	4.6
91.03934	6.4
91.05473	5.8
93.07031	6.9
95.04944	3.5
95.08585	6.1
97.02874	52.2
99.04433	5.7
101.06009	1.2
103.03901	1.5
105.06999	6.4
107.04931	2.3
107.08549	3.8
109.02855	7.2
109.06492	1.8
109.10122	3.2
110.07134	1.7
111.04424	2.8
115.03910	30.8
117.06989	1.7
119.08560	7.7
121.10104	4.7
127.03897	31.2
129.05519	1.5
130.08615	1.9
131.08537	1.9
132.06569	1.1
133.04935	9.8
133.08533	3.3
133.10086	2.3
135.08023	1.4
135.11667	2.5
137.09618	1.6
143.08577	2.0
145.04936	56.3
145.10103	1.8
147.04385	1.7
147.06613	1.5
147.07993	3.2
149.09560	1.8
150.07574	4.0
151.11108	1.2
161.09546	2.0
162.07576	1.1
163.06006	25.1
163.11154	1.8
165.09082	5.5
166.09441	1.6
168.20662	1.2
171.11632	1.3
177.11218	1.2
189.08954	1.8
223.06021	2.9
241.07033	5.1
259.08105	5.7
293.19525	4.7
295.10004	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	443.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86163	0.5
54.03458	3.7
55.01842	0.6
55.04245	2.8
56.96552	1.8
59.09685	0.5
61.02911	0.6
67.38501	0.5
69.03417	1.7
70.06573	2.5
71.10638	1.1
73.02899	1.0
80.04968	0.7
81.03465	0.6
81.04532	20.0
82.05316	7.9
84.04493	0.6
84.08134	2.7
85.02901	3.7
86.09677	0.5
87.04420	1.0
91.05441	0.7
91.77061	0.5
95.04945	0.5
97.02865	1.9
98.37252	0.5
98.97526	0.8
99.04459	0.5
100.07610	1.0
103.03923	0.8
108.05611	1.0
109.02892	0.9
110.07113	1.4
113.68274	0.5
116.06999	0.6
117.03369	0.5
119.04967	1.4
120.08105	0.6
122.07135	100.0
123.07917	89.0
124.08263	1.8
125.40552	0.6
127.03911	1.5
129.10162	0.5
130.08604	1.5
138.09158	0.5
144.04790	1.2
145.02855	0.6
145.04916	0.5
146.08102	0.6
147.04405	4.2
148.04739	1.1
152.50761	0.5
160.04254	2.1
163.03911	0.6
164.08159	0.7
165.07701	4.4
172.04239	1.5
177.05421	1.9
178.05807	0.5
181.06473	0.8
196.21919	0.5
223.86888	0.5
253.11089	1.2
271.12018	1.1
281.10635	59.8
282.10953	1.5
297.09979	0.5
315.11093	0.7
323.11774	1.1
443.15900	95.3
444.16165	5.1
453.62573	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.3
56.47763	0.2
57.03426	3.2
57.07059	0.7
63.44962	0.2
67.05493	0.3
69.03437	0.2
69.07059	0.6
70.04063	100.0
71.04375	0.3
71.04993	0.5
71.53021	0.4
73.02902	0.9
75.04472	4.8
79.05477	0.7
80.61712	0.2
81.07031	0.4
83.04972	3.4
83.08618	1.0
84.05308	0.4
85.02905	1.2
91.05476	0.9
92.05789	0.2
93.07025	1.6
94.07373	0.3
95.04990	0.3
95.08583	0.3
96.05427	0.2
97.02847	0.2
99.04429	0.5
99.08081	2.1
103.05444	1.1
104.05789	0.4
105.07043	0.3
106.07340	0.3
107.08583	0.4
108.73778	0.2
109.10114	0.3
111.04426	3.7
112.04755	0.3
117.05486	0.7
117.07014	0.2
119.08524	1.0
120.08915	0.4
121.10152	0.7
121.11042	0.2
127.03928	0.4
129.01027	0.2
129.05493	0.5
131.04900	2.7
132.05240	1.2
147.08008	0.3
149.09628	0.2
155.08527	0.2
161.06029	0.3
162.06308	0.4
163.06038	0.8
183.10136	3.3
183.11684	0.2
211.08727	0.3
215.35243	0.2
227.08376	0.6
227.12743	2.2
260.10074	0.3
442.23376	0.5
442.37430	0.3
465.71036	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29873	0.6
55.05488	0.7
58.99573	7.0
60.04495	1.8
63.20781	0.7
67.05487	3.0
68.05013	1.9
69.03407	1.0
70.02919	0.7
70.06577	7.6
71.43430	1.3
71.43771	0.8
72.08151	1.4
74.00648	0.8
74.56953	0.8
79.05498	0.8
81.05759	0.7
81.07032	0.8
84.04491	0.7
84.08114	2.7
85.02872	1.3
86.06043	7.2
86.09676	2.3
86.99033	5.4
88.03990	1.9
91.05449	1.5
93.07044	0.9
94.06552	10.1
96.04493	5.5
96.08124	10.9
98.06027	2.9
100.02188	35.5
104.99365	0.9
105.00064	11.3
108.08108	1.3
110.06010	1.1
110.07171	1.1
111.02613	0.9
113.04246	1.3
114.05580	0.7
116.07099	1.1
117.03386	1.0
119.04955	0.9
120.01157	1.4
122.06012	26.3
123.04386	1.2
123.06820	1.2
124.07572	16.7
125.00566	0.9
126.03616	1.0
127.35254	0.9
128.05307	1.4
129.10237	1.6
136.07561	29.7
137.07898	0.7
138.05472	2.6
138.07913	1.2
138.09109	11.7
139.08652	2.1
140.07014	2.8
141.50568	0.8
145.02826	1.4
146.02682	90.5
146.08128	1.6
147.03235	0.7
147.04372	3.7
147.09125	2.6
148.00595	1.3
150.05507	2.0
152.05141	0.7
154.03192	14.0
156.04741	4.4
156.07507	1.0
164.07040	39.5
165.05370	0.8
166.04984	2.1
169.13239	0.8
177.05457	2.0
180.04779	3.7
182.08101	28.5
188.10583	1.2
190.04134	0.7
190.25934	0.7
197.07387	2.4
197.12906	0.7
198.09126	3.1
200.03732	1.6
202.08528	1.0
202.12286	0.8
208.04353	1.2
212.10704	2.9
213.09082	0.8
215.12012	1.0
216.10167	1.1
226.05138	1.0
226.08595	0.9
230.11862	1.3
240.10194	2.1
243.07957	100.0
243.11118	6.6
244.09755	0.9
244.11876	0.8
257.12860	7.2
258.11179	6.7
281.14905	0.9
285.12271	8.9
286.10559	4.3
287.13950	1.0
295.13046	1.3
303.13336	19.7
304.11707	26.5
305.11954	1.4
321.14349	2.4
378.14664	1.9
392.18167	1.4
398.69644	2.6
399.19995	1.3
408.18912	0.7
424.15298	15.5
425.23801	0.7
442.16287	12.4
442.21524	1.0
442.26379	0.9
443.20245	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.1
55.01868	1.2
55.05504	32.5
57.03426	10.1
57.07066	34.7
58.07388	1.1
59.04987	1.2
61.07224	1.2
65.76817	1.0
67.05489	17.7
69.07056	43.6
71.04848	1.8
71.08622	19.7
73.06523	1.1
79.05465	6.6
81.07041	24.9
83.04974	2.1
83.08601	29.5
84.48859	1.2
85.10178	12.2
87.04455	3.8
89.06030	1.3
91.05447	2.2
93.07032	13.5
94.87918	1.0
95.08582	30.5
97.06525	6.6
97.10156	16.6
99.11700	1.3
101.05998	1.5
105.07025	5.2
105.38467	1.1
107.08572	12.5
107.11886	1.4
109.10139	19.6
111.08075	4.2
111.11706	5.2
111.54465	1.1
119.08548	7.9
121.06484	1.6
121.10123	16.3
123.11675	10.6
125.09606	4.0
125.13284	2.1
129.09009	1.4
131.08549	1.6
133.10095	7.1
135.11650	10.5
137.13266	3.2
139.11157	3.7
143.10631	1.4
145.10107	2.7
147.11662	1.9
149.09590	1.2
149.13202	8.7
153.12779	3.5
157.10118	1.6
159.11655	3.5
161.13306	3.4
163.14798	5.0
167.14285	2.3
171.11732	2.0
173.13261	2.5
175.14868	1.9
177.16351	3.3
181.15883	2.0
185.13239	1.3
187.14870	1.4
189.16367	2.9
191.17993	4.3
199.14836	2.5
201.16364	1.7
205.19507	3.4
209.19102	1.3
213.16432	1.7
217.19594	3.1
219.17482	1.2
219.21103	2.0
231.17516	1.9
231.21155	3.7
235.16959	3.6
237.22192	1.1
265.67743	1.2
269.22653	2.6
281.22690	1.1
331.33640	2.5
349.34509	12.7
405.35132	9.1
423.38129	14.5
441.39362	100.0
442.39584	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	441.3935
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
55.01859	1.3
55.05503	33.0
55.11613	0.5
57.03429	11.6
57.07068	35.3
59.04977	0.7
67.05494	16.2
69.07058	45.8
70.04324	2.8
71.04982	1.6
71.08620	23.2
73.06543	1.1
75.04494	0.8
79.05479	6.8
81.07045	27.3
81.07529	1.3
83.04970	1.6
83.08605	33.6
83.63698	0.5
85.06529	1.0
85.10172	11.7
87.04469	2.3
91.05472	2.6
93.07030	13.3
95.04977	0.7
95.08591	33.1
96.53619	0.6
97.06504	4.7
97.10156	19.0
99.08083	0.8
99.11703	0.9
101.06000	1.0
105.07011	3.4
107.08582	15.3
109.10138	20.4
111.08077	3.3
111.11707	6.9
113.13233	0.6
115.07574	1.9
117.07014	0.9
119.08558	6.3
121.06511	1.1
121.10123	14.2
121.10919	1.0
123.08071	0.7
123.11686	8.0
125.09616	4.0
125.13215	1.4
127.02648	0.6
127.11134	0.8
129.09148	0.8
131.08582	1.8
133.10086	5.1
135.08037	0.8
135.11681	10.8
137.13219	4.4
138.76050	0.6
139.11133	3.7
139.14827	0.8
143.08577	1.1
143.10690	1.5
145.10156	2.4
147.11685	3.2
149.13257	7.3
151.11211	0.7
151.14833	1.3
153.12761	3.0
157.10091	1.7
159.11681	3.8
161.13292	2.5
163.14812	5.0
167.14359	1.9
171.11720	1.1
173.13240	3.2
175.14764	2.9
177.16333	4.1
181.15854	1.3
185.13309	0.9
185.15421	1.5
187.14864	2.3
189.16428	2.7
191.17921	4.5
193.15807	0.8
195.14052	0.7
195.17416	1.7
199.14819	1.4
199.16861	0.7
201.16391	1.1
203.18030	2.0
205.15923	1.4
205.19502	3.4
207.17467	0.7
209.19025	1.2
213.16399	2.1
213.18379	0.8
215.17992	1.0
217.15923	1.1
217.19505	1.1
219.17448	0.8
219.21130	1.8
227.17847	0.7
229.19518	1.1
231.17462	1.5
231.21135	1.9
233.22658	0.8
235.16969	2.2
237.22215	1.3
243.21310	0.6
245.22766	1.6
247.24219	0.9
249.80449	0.7
251.23657	0.8
259.20612	0.8
272.35126	0.6
318.34781	0.6
321.25558	0.7
331.33707	3.0
349.34644	10.4
350.34705	0.9
368.08966	0.7
405.35156	9.6
423.38181	14.1
441.39368	100.0
442.39838	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3719
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
52.08834	0.3
53.03941	0.3
55.05496	1.4
55.29352	0.2
57.07054	0.8
59.13820	0.2
67.05486	1.9
69.03419	0.3
69.07057	3.4
69.58546	1.3
69.58973	0.7
79.05476	1.4
81.07040	5.4
83.04951	1.2
83.08592	1.2
91.05474	1.3
93.07032	2.6
95.04918	0.8
95.08591	10.0
96.08947	0.3
97.06506	0.5
97.10131	0.5
98.21549	0.5
105.07017	2.2
107.08578	6.5
109.06496	0.7
109.10146	5.6
111.08050	0.9
111.11707	0.9
119.08584	4.1
121.06509	0.8
121.10130	6.2
123.08041	1.3
123.11679	3.9
125.09608	0.5
125.13268	0.6
131.08540	0.5
133.10098	4.1
135.08041	2.8
135.11667	4.9
137.09549	0.7
137.13216	2.1
139.11182	0.7
143.08559	0.5
145.10106	1.3
147.11652	2.4
149.09596	6.5
149.13243	2.1
151.14793	0.3
157.10098	0.5
159.11693	1.6
161.09573	0.8
161.13222	1.9
163.11148	1.0
163.14784	0.8
171.11652	0.9
173.13197	1.1
175.11118	0.3
175.14769	1.9
177.12770	0.5
177.16345	1.8
179.14211	0.5
187.14796	1.1
189.12833	0.3
189.16278	2.5
191.14246	0.4
191.17943	1.0
199.14821	0.6
201.16353	0.5
203.14264	0.6
205.16031	0.3
205.19423	0.4
211.14865	0.4
213.16289	0.6
215.17940	1.0
217.15810	0.4
217.19510	0.4
227.17894	0.5
233.19002	1.9
233.78023	0.3
235.16882	2.1
241.19585	0.3
243.21149	0.4
243.24939	0.3
247.20613	0.5
255.21133	0.4
261.22272	0.4
267.21078	0.3
269.22488	0.6
271.24182	0.3
283.24313	0.4
285.22116	0.3
287.23602	3.3
293.50491	0.3
299.23734	0.4
301.24805	0.4
303.23291	0.3
327.26840	0.3
355.82999	0.3
405.34982	0.4
423.36166	1.3
441.37195	100.0
442.37540	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	441.3722
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
53.03922	0.5
55.05510	1.4
57.07053	1.0
67.05494	2.8
69.07057	2.9
69.83514	0.9
69.83925	0.6
71.08605	0.5
79.05460	1.3
81.07040	8.0
83.08611	1.7
87.04456	0.4
88.30455	0.2
91.05455	1.1
92.50003	0.2
93.06472	0.4
93.07027	5.0
95.04954	0.7
95.08590	10.9
97.10139	1.0
105.07020	2.1
107.08574	6.8
109.06494	0.4
109.10136	8.5
111.08078	0.5
111.11701	0.5
115.68843	0.2
117.21326	0.3
119.08559	3.0
121.06486	0.8
121.10120	7.0
123.08066	1.1
123.10810	0.4
123.11692	7.9
125.09628	0.5
131.08553	0.9
133.10086	2.3
135.08035	1.8
135.11665	5.0
137.09612	0.8
137.13232	3.4
139.11124	0.5
145.10124	1.4
147.11639	1.9
149.09569	2.0
149.13228	3.8
151.11148	1.3
151.14793	0.7
157.10115	0.5
159.07997	0.4
159.11667	1.4
161.09605	0.5
161.13232	2.1
163.11180	0.6
163.14738	2.0
171.11726	0.5
173.13203	1.3
175.11154	0.6
175.14790	2.2
177.12718	0.6
177.16368	0.7
185.13252	0.5
187.14809	1.0
188.05698	0.3
189.12750	0.4
189.14861	0.4
189.16325	1.9
191.14276	0.6
191.17902	0.7
199.14764	0.6
201.16357	0.7
201.89621	0.3
203.14357	0.4
203.17857	1.6
205.15894	0.4
205.19450	0.5
207.17236	0.3
215.17909	0.9
217.15862	0.7
217.19490	0.8
219.17424	0.3
219.21156	0.4
219.70329	0.2
223.17111	0.3
224.43840	0.3
231.17371	0.4
241.19571	0.3
259.24207	0.8
269.22684	0.4
287.23602	5.3
301.25171	4.7
345.27704	1.3
366.07648	0.3
405.35086	0.6
423.36029	0.8
441.37204	100.0
442.37527	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	441.3355
Annotation	Larreagenin A
Peak:m/z	Relative Intensity
50.32068	0.8
55.05265	1.3
55.05503	17.4
57.07082	4.7
57.07296	1.1
67.05476	3.4
69.03389	1.2
69.07059	16.5
71.08626	4.9
71.13655	1.9
78.62975	0.8
79.05467	2.8
81.07047	8.3
82.55080	1.0
83.04993	1.0
83.08607	29.4
87.04448	1.8
89.05994	1.1
89.60713	0.9
91.05463	3.9
93.07024	10.3
95.08600	9.3
95.76343	0.9
97.06492	1.6
97.10156	4.2
104.83147	0.9
105.06997	3.7
107.08575	5.9
109.06498	1.9
109.10140	6.3
111.08067	1.1
119.08569	5.3
121.06518	5.6
121.10116	3.5
123.08047	2.5
123.11696	1.8
131.08522	2.5
133.10077	3.2
135.07997	2.2
135.11659	2.3
143.08546	1.4
145.10100	2.7
147.08035	3.8
147.11647	2.4
149.09555	1.9
149.13214	1.6
155.08513	1.0
157.10129	1.7
159.08008	3.1
159.11621	1.4
161.09659	2.2
161.13226	2.0
169.02629	0.9
169.10144	0.8
171.11662	1.0
173.09601	1.8
173.13458	0.8
175.07526	11.6
175.14836	2.2
185.13173	1.2
187.14819	1.0
191.10551	1.1
193.08507	1.1
201.12680	1.0
201.16292	1.3
201.45978	0.9
234.68884	0.8
235.16930	2.7
247.17299	1.0
261.18301	1.3
273.73318	1.0
275.16382	8.4
283.20789	1.0
285.18469	3.0
287.19754	1.1
301.17911	13.0
303.19421	1.6
313.27090	1.2
315.23029	10.5
344.80869	0.9
364.16064	1.1
407.96979	0.9
423.31967	1.6
441.33551	100.0
442.33762	5.5
467.06165	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.9
55.01835	1.1
55.05499	8.3
57.03415	1.9
57.07069	5.5
63.30177	0.8
66.34408	0.8
67.05489	9.5
69.03429	0.9
69.07058	12.4
70.69720	1.9
70.70119	1.7
71.04986	1.6
71.08618	9.3
77.85774	0.7
79.05476	4.3
79.63223	0.7
81.07037	14.3
83.04952	2.9
83.08604	6.2
85.02906	0.9
85.06519	1.6
86.47950	0.7
91.05479	5.1
93.07027	9.0
95.04953	1.4
95.08588	15.6
96.42899	0.8
97.06502	1.3
97.10150	2.5
99.08078	7.2
105.07021	5.9
107.08569	10.3
109.06495	7.1
109.10158	7.5
111.04388	2.0
111.08058	1.9
119.08560	8.9
121.06492	2.1
121.10114	6.2
123.08044	27.3
123.08941	1.4
123.11674	2.9
124.02863	0.8
125.05947	1.3
125.09621	0.8
130.08621	1.7
131.08531	2.2
132.65073	0.8
132.75551	0.9
133.10114	7.4
135.08015	6.6
135.11641	4.4
137.09596	2.0
137.13184	2.9
139.07503	1.5
145.10095	3.4
147.11670	3.1
149.09587	2.0
149.13213	3.6
151.11153	1.0
153.12727	4.1
157.10092	1.0
159.11679	2.5
161.13222	2.2
163.11113	1.3
163.14769	1.3
165.12709	2.1
167.14261	0.9
173.13229	1.4
175.14796	1.5
177.12755	2.0
179.14273	35.5
180.14621	1.2
181.12276	1.0
189.16324	2.2
191.14243	2.9
193.15875	2.0
205.15918	1.4
219.17409	1.0
233.18909	1.9
247.20497	0.9
251.20016	9.4
265.14838	0.8
275.19940	2.4
293.21112	7.6
293.28247	3.0
303.26791	10.1
315.23193	0.8
321.27832	2.2
331.26245	37.8
332.26556	1.4
349.27286	42.2
350.27658	1.7
367.28571	1.1
374.32932	0.8
405.29892	4.7
423.30960	100.0
424.31381	6.3
441.24292	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.5
54.35880	2.1
55.01841	2.9
55.05502	15.8
57.03408	5.7
57.07054	8.6
65.03925	3.9
67.05495	68.9
67.14949	2.2
69.03419	34.2
69.07067	12.6
71.04990	10.6
71.08597	3.3
73.02890	7.9
79.05070	2.9
79.05484	46.3
81.03411	13.7
81.07044	89.2
82.07358	2.6
83.04953	7.6
83.08592	7.6
85.06496	3.1
85.10165	3.8
87.04444	9.5
89.05997	3.0
91.05465	23.9
93.06479	3.7
93.07029	59.9
95.04933	5.7
95.08593	69.2
97.06506	3.0
97.10149	3.6
99.04443	50.3
99.08070	3.0
105.07024	18.6
107.08575	39.8
109.02815	2.2
109.06501	2.9
109.10138	35.8
111.08096	2.1
111.11713	2.3
115.03887	4.3
116.73389	2.2
117.05484	27.1
117.06967	11.3
119.08556	15.0
121.10112	30.5
123.08052	4.1
123.11682	24.6
127.03887	7.5
131.08549	23.5
133.10124	15.7
135.11647	24.6
137.13226	11.9
145.04918	6.3
145.10126	19.3
147.11649	9.5
149.13225	23.7
151.11177	2.2
151.14761	4.9
159.11671	15.8
161.13234	7.0
163.05933	4.7
163.14784	12.1
173.13203	15.6
175.14845	5.8
177.16362	4.7
179.14317	3.0
187.14732	7.0
189.16307	2.7
201.16420	2.3
209.20859	2.2
222.44821	2.1
233.22595	3.2
237.18402	2.6
243.21104	24.6
261.22098	100.0
262.22382	2.8
279.23135	22.3
318.21249	2.3
331.26392	2.8
390.91937	1.8
423.27130	27.0
423.31976	3.9
426.16446	5.7
432.82187	2.2
441.14395	4.2
441.18896	15.5
441.28336	18.4
441.33325	2.6
442.19574	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	441.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.9
55.01863	1.8
55.05496	4.8
57.03419	3.5
57.07033	0.9
59.04983	3.0
66.91182	0.8
67.05487	7.8
69.03416	8.3
69.07054	5.8
70.06572	2.6
71.04965	4.3
71.53403	1.3
73.02914	1.1
76.33649	0.8
79.05470	7.9
80.93898	0.9
81.03416	7.6
81.07040	17.6
83.04973	5.0
83.08604	3.0
84.04468	1.4
84.08140	1.7
85.02878	10.4
85.06520	2.4
86.09700	3.1
87.00817	2.6
91.05472	12.0
93.07031	13.4
95.04951	2.8
95.08587	19.6
97.02853	2.8
97.06479	2.3
99.04443	2.7
99.08067	5.0
100.11194	1.1
103.05482	1.4
105.01843	2.9
105.07012	17.5
107.04943	2.0
107.08574	14.8
109.02838	5.7
109.06492	2.2
109.10130	6.1
111.04423	2.5
113.06043	0.9
113.09605	1.0
115.03918	1.9
115.05434	1.0
117.07027	3.1
117.09103	0.9
119.08559	58.2
121.10119	6.9
123.08042	1.8
123.11689	6.0
124.07617	1.4
125.09617	1.3
127.03890	12.4
129.05463	1.4
129.06956	2.0
131.08553	5.8
133.10106	100.0
134.10439	2.1
135.08026	2.1
135.11656	16.5
137.06020	0.9
137.09604	2.9
139.11165	1.1
142.07664	0.9
143.08556	2.9
145.04951	1.1
145.06427	1.0
145.10104	6.1
147.08022	1.4
147.11655	8.5
149.09605	1.2
149.13225	2.0
151.07495	1.2
151.11264	1.2
157.10112	3.4
159.11659	3.8
161.09540	2.2
161.13153	1.3
163.11194	1.2
165.09103	2.2
165.12677	1.2
171.11639	3.4
173.09572	1.1
173.13271	3.1
175.14789	74.2
176.15071	2.3
184.07375	4.7
185.07646	1.5
185.13199	1.2
187.11111	1.1
187.14796	1.8
189.09065	1.0
189.12694	1.1
189.16406	1.0
191.10677	1.2
193.15875	12.2
197.13232	1.3
203.17874	1.6
207.11327	2.0
211.15022	1.1
211.16881	1.5
213.03850	1.3
213.16405	3.5
215.10455	1.0
221.11714	0.9
226.81262	0.9
231.04901	2.1
231.17409	3.5
241.65817	0.9
249.18553	2.6
274.04941	0.9
283.16916	1.0
319.19003	1.2
344.15829	0.9
379.21283	0.9
423.19980	3.7
433.71036	1.0
441.21552	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	441.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.5
55.01853	2.1
55.05499	15.4
57.03426	13.9
59.04987	4.5
61.02922	1.9
65.03926	1.9
67.05508	10.9
69.03421	39.1
69.07035	3.5
70.00340	7.6
71.01336	9.5
71.04982	61.7
73.02903	5.3
75.04469	12.9
79.05477	28.5
79.91160	1.9
81.03394	3.0
81.07053	11.5
83.04967	57.6
84.08123	3.0
85.02892	100.0
85.06519	1.7
87.04445	5.9
91.05454	19.0
93.07030	75.5
95.04958	18.0
95.08581	8.9
97.02874	6.6
97.06520	5.6
99.04447	7.8
101.06004	2.2
103.05487	2.5
105.07016	16.1
107.04950	2.8
107.08574	20.7
109.02843	2.3
109.06508	5.6
109.10143	4.5
111.04421	49.5
111.08054	3.4
113.05976	7.1
115.03867	2.8
117.07002	2.5
119.08550	11.9
121.06528	4.0
121.10127	69.3
123.08024	3.6
123.11719	2.9
125.05963	3.9
127.03932	4.0
129.05463	31.3
129.06911	2.4
131.08563	9.5
133.10144	10.3
135.07990	3.1
135.11707	1.9
136.50053	1.8
143.08521	3.3
145.10118	4.8
147.06497	5.4
147.07977	3.0
147.11627	4.7
149.09605	24.7
151.07556	2.6
153.05479	7.6
157.04956	5.3
157.10161	3.2
159.11697	2.8
161.09538	2.4
165.09081	5.0
167.10660	13.5
171.06534	8.0
171.11659	3.7
175.11133	3.3
187.11108	2.2
193.12434	1.9
195.06506	3.2
203.10582	2.2
213.12801	1.8
213.16382	2.8
231.17471	4.9
239.09140	5.8
253.14276	2.5
257.10129	4.7
295.15369	22.7
382.55713	1.7
423.20065	3.5
441.21152	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	440.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	1.4
57.07063	51.8
59.04704	1.2
59.04990	18.3
60.95571	0.7
63.77693	0.6
67.05489	1.2
69.07052	2.6
69.78028	4.4
71.08617	100.0
74.09682	0.7
79.05500	0.7
81.07041	2.0
82.18619	0.7
83.08597	1.6
84.08132	3.3
84.94626	0.6
85.10165	52.1
87.04453	2.1
89.06011	57.7
93.07065	1.1
95.08591	1.1
97.10175	1.2
103.07565	4.0
107.07075	2.2
107.08653	0.9
127.14805	9.7
130.08591	7.6
131.07048	0.9
133.08577	58.6
134.74237	0.7
151.09708	0.7
175.09605	1.7
177.11176	11.4
185.18979	14.1
185.20619	1.4
195.12231	1.6
221.13780	6.6
227.84525	0.8
229.21587	7.2
239.14847	29.9
279.18057	3.2
283.17432	9.1
297.18915	6.0
423.33084	18.6
440.36209	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.19
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.6
53.03928	1.7
55.01853	1.9
55.05500	10.7
59.05018	0.5
62.74965	0.4
62.87385	0.4
65.03923	1.0
65.10079	0.4
67.05479	2.3
67.12190	0.5
69.03418	3.8
69.93368	0.9
69.93786	1.8
71.04975	2.4
73.02896	1.3
77.03928	0.9
79.05480	5.8
81.03378	1.0
81.07042	3.4
83.04965	55.3
84.08133	0.7
85.02888	4.5
85.06541	0.5
91.05465	20.6
93.03374	0.9
93.07027	18.9
95.04948	5.0
95.08585	3.0
97.02860	1.3
99.04447	1.1
103.05447	35.4
105.04530	0.5
105.07029	4.5
107.04931	1.5
107.08572	4.1
107.29536	0.4
109.06509	2.0
109.10124	1.5
111.04423	31.3
113.06013	0.7
115.05445	0.9
117.07005	5.6
119.07705	1.2
119.08559	23.4
121.06493	1.8
121.10126	5.6
123.08047	1.3
123.11680	0.5
128.06213	1.6
129.05470	2.9
129.06964	2.4
131.04906	100.0
131.08556	1.7
132.05254	1.5
133.06432	0.7
133.10080	0.8
135.08026	2.4
135.11720	0.6
137.09601	1.7
141.06877	0.8
143.08527	1.4
145.06464	1.3
145.10150	1.0
147.08026	11.9
147.11610	0.4
149.05908	2.0
149.09599	2.2
149.13287	0.6
153.06851	0.5
155.05823	0.5
155.08505	1.1
157.10101	0.9
159.08025	0.6
159.11667	0.8
161.05974	1.1
161.09579	0.6
165.09073	5.8
169.10120	0.7
171.07985	2.9
171.11717	0.5
175.11214	0.5
181.10030	0.4
183.11687	0.7
185.09674	0.5
185.13199	0.8
195.11606	0.6
197.09674	0.8
199.07520	0.6
209.13310	0.6
211.14925	0.7
213.09085	0.5
213.12723	0.8
229.12285	0.9
239.14182	0.5
239.17813	0.6
259.09616	17.6
267.17361	1.3
277.10715	1.8
293.13733	0.6
295.16943	0.7
398.71329	0.6
441.22916	1.5
441.37750	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.7
55.05489	2.6
56.05014	1.8
60.24623	0.8
61.80055	0.8
67.05488	1.1
69.03424	0.8
69.07054	1.3
70.48230	1.9
79.05466	1.5
81.03400	0.7
81.07035	2.1
83.04969	9.6
83.08619	0.7
84.08132	57.4
85.02886	0.9
85.08449	0.7
87.04437	0.7
89.05994	1.1
91.05455	4.2
93.07026	4.7
95.04936	1.2
95.08601	2.2
97.10146	0.8
103.05441	6.0
105.07011	1.2
107.08574	0.9
109.06523	0.8
111.04415	5.5
117.07051	0.7
119.08569	4.7
121.10120	1.0
130.08621	100.0
131.04904	17.0
131.08873	1.0
134.10582	0.7
135.11623	0.9
147.08018	1.8
165.09186	0.9
184.07416	0.7
199.07832	0.6
242.19739	0.9
259.09692	3.0
277.10455	0.8
290.49612	0.7
318.20761	0.8
440.26886	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3562
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
53.96507	1.1
55.05486	4.3
57.07053	2.3
63.81362	1.1
67.05482	7.5
69.07046	8.5
69.31390	6.2
69.31814	4.9
76.62404	1.3
76.81087	1.2
79.05478	3.3
81.07048	10.9
83.08603	3.0
89.06011	5.5
91.05470	1.4
93.07007	5.7
95.04980	1.6
95.08588	49.8
98.83625	1.3
105.06992	3.3
107.08583	9.7
109.06482	1.4
109.10123	14.1
119.08556	8.4
121.06515	2.4
121.10122	8.2
123.08045	2.9
123.11671	5.5
125.13256	1.2
131.08575	3.0
133.08566	2.5
133.10089	7.2
134.08835	1.7
135.08005	3.5
135.11671	7.3
137.09589	1.7
137.13199	4.4
143.08611	1.9
145.10100	3.7
147.07970	1.4
147.11668	5.3
149.09622	6.5
149.13229	3.2
151.11159	2.0
157.10060	1.7
159.07986	1.6
159.11674	3.2
159.91763	1.3
161.09619	2.1
161.13142	2.2
163.11131	3.3
171.11639	3.2
173.13179	3.4
175.11128	1.6
175.14766	4.1
177.12677	1.2
177.16331	1.7
177.21263	1.4
185.13194	1.5
187.11061	1.4
187.14825	3.2
189.12672	1.8
189.16364	3.1
190.68701	1.6
191.10341	1.2
191.17880	2.7
199.14807	1.6
201.12669	1.7
211.14777	1.3
213.16319	1.6
215.14284	1.9
215.17735	2.1
217.15742	1.6
233.15320	1.7
239.14838	3.2
240.15279	4.3
283.20645	2.2
287.23682	1.3
301.21552	1.8
315.23251	1.7
327.26828	5.2
381.31500	1.2
392.95712	2.1
393.31427	2.2
403.33755	1.2
421.34521	33.8
422.35165	2.3
439.35632	100.0
440.35797	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	440.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.6
55.05500	1.9
58.60124	0.9
58.99583	7.3
65.03908	0.8
67.05488	2.1
69.03419	1.8
69.07056	2.5
70.06590	11.7
70.11553	3.2
71.04967	0.9
72.08135	3.9
76.02220	6.8
79.05473	2.3
80.05016	0.9
81.03409	1.5
81.07034	2.2
82.06561	3.1
84.04488	2.7
84.08130	7.5
85.02897	4.9
86.09690	5.6
86.99026	3.4
88.02187	1.1
88.03989	2.1
91.05475	2.2
93.07034	2.6
94.06551	2.4
95.01316	1.9
95.04965	2.1
95.08584	1.2
96.04477	1.5
97.02879	2.6
99.04422	1.1
100.02187	16.1
100.07592	3.9
101.05988	1.3
103.03869	1.0
105.00059	3.6
105.07001	1.0
107.08569	2.2
108.04470	0.9
108.08127	1.3
109.02844	1.9
109.06509	1.8
110.06013	1.9
110.07131	3.0
113.05984	3.6
114.05472	1.5
115.07502	1.1
116.07078	2.0
118.06527	1.1
120.04445	1.0
120.08061	1.5
121.10073	1.0
122.06020	5.6
123.06808	1.7
123.08026	1.1
124.07584	3.8
127.03871	1.6
128.07063	1.6
129.10254	2.7
130.04979	1.0
130.08632	6.2
131.07008	1.9
131.08568	1.1
132.10173	2.6
134.06021	1.4
135.07941	0.9
135.11624	1.0
136.07562	9.7
137.05997	1.6
137.07007	1.3
138.05507	3.7
138.09108	2.3
139.03862	1.1
139.11156	2.5
140.07030	1.7
145.10110	1.3
146.02690	25.5
146.05923	2.4
146.08084	13.3
147.04376	1.2
149.05925	1.0
149.07054	1.1
150.05557	2.0
152.01643	3.4
152.07034	2.0
154.03033	1.0
158.09639	1.1
160.07565	0.9
162.05431	4.9
164.07063	2.1
166.04974	1.6
170.09648	1.1
172.07571	2.0
174.05484	8.5
175.08647	3.3
180.06519	2.8
180.11023	0.9
181.12206	2.5
184.11093	1.1
186.09082	1.3
188.03679	2.0
188.10661	1.6
192.06500	3.1
196.07510	1.5
197.11754	2.0
198.09106	4.0
198.11981	2.1
199.13330	7.3
200.07005	1.5
200.10689	2.9
210.09152	1.9
212.09229	1.5
212.10899	1.4
213.10300	5.7
214.08595	4.3
214.10669	1.2
215.11841	3.0
217.09702	2.6
218.08121	8.2
226.07321	1.4
226.10759	0.9
227.08081	1.6
227.11755	6.1
228.10127	4.6
229.09982	1.0
231.11258	1.6
235.10741	4.9
239.08000	0.9
240.08875	3.8
241.09698	23.6
242.08058	2.6
243.06561	2.4
243.11317	13.2
243.15811	1.3
244.09709	3.0
254.10516	1.5
255.11237	14.9
256.09555	13.1
257.09647	1.3
257.12738	1.1
258.12445	8.5
259.10751	19.4
260.09036	4.5
270.06027	1.1
271.13159	2.1
273.12329	1.7
277.11722	1.0
278.10242	8.2
279.13254	1.1
283.10770	7.9
284.09137	1.5
285.12262	9.2
286.09363	0.9
289.14301	1.0
295.16550	2.1
299.08429	1.7
299.12646	1.3
300.11142	1.5
301.11795	29.6
302.10083	10.5
303.13397	3.9
304.11758	2.8
317.13632	16.9
318.12576	5.0
319.12936	6.7
334.07303	2.2
349.07632	1.2
360.13458	1.9
362.11591	7.2
363.09885	1.5
377.11322	1.1
378.14737	1.2
395.15714	1.7
396.12613	0.9
404.12717	15.8
405.11188	2.1
422.13748	100.0
423.12061	31.6
440.11649	1.4
440.28363	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	439.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	2.3
53.10819	2.0
55.05500	12.6
57.07063	5.4
58.13419	2.7
59.56224	2.3
63.20590	2.1
65.03917	4.2
67.05495	14.1
69.03411	3.8
69.07055	21.4
70.35316	9.2
73.02898	2.6
79.05478	9.2
81.07038	29.0
83.04976	4.0
83.06792	1.9
83.08604	11.9
84.08114	4.9
85.02872	6.4
91.05424	10.1
93.07026	27.3
95.04947	2.6
95.08588	45.1
96.08891	2.7
97.10152	6.5
98.09660	2.4
103.05434	2.7
103.99759	2.4
105.07018	22.9
107.08578	39.6
109.06508	3.0
109.10134	28.9
111.04404	3.6
111.08041	2.9
117.06988	2.4
119.08561	49.4
121.10124	31.8
123.11709	10.2
130.08588	3.2
131.04930	3.3
131.08575	7.6
133.10106	36.2
135.11658	25.5
137.13199	5.9
143.08563	3.1
145.10088	8.9
147.11652	31.4
149.02318	50.2
149.03468	4.9
149.09566	2.3
149.13206	16.5
150.02641	22.3
150.03638	3.1
153.09091	7.4
157.10023	3.2
159.11658	7.8
160.12375	2.4
161.05907	2.4
161.13234	17.5
163.14810	9.7
165.09198	2.7
167.10646	3.9
173.13181	3.0
175.14774	11.6
177.16338	6.7
187.14828	3.3
189.16350	43.6
191.17923	92.4
193.04930	77.6
193.12239	3.3
194.05260	56.4
195.05496	2.6
201.16342	11.2
203.17914	100.0
204.18314	5.1
205.19427	17.2
207.17491	2.7
211.27336	2.0
215.17935	4.6
215.60481	2.1
217.19380	10.7
221.18993	4.1
231.21014	3.8
235.16902	8.9
247.16783	4.6
249.18501	28.1
261.18503	2.6
393.34927	7.1
421.29648	2.6
439.28665	35.1
439.35547	42.4
439.42319	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	439.337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	2.7
57.03414	2.2
57.07067	100.0
59.04707	2.5
59.04992	31.1
69.07053	2.1
70.13171	3.1
70.13577	5.0
71.08619	75.7
72.63544	1.4
81.07051	2.9
85.10170	67.1
86.07285	1.7
87.04468	2.0
89.05996	9.0
90.01889	6.6
95.08575	1.6
97.10162	1.8
98.21494	1.8
99.11730	12.2
102.04727	1.5
111.11730	1.5
113.13284	4.0
117.09152	9.6
121.10149	2.2
133.08566	3.6
133.10124	1.6
141.16302	3.1
155.17931	6.8
192.08443	1.8
199.20538	5.0
213.22147	7.1
224.87425	1.7
225.94930	1.8
239.14847	6.4
240.15237	6.1
255.84065	1.6
257.24802	1.6
271.26242	6.0
287.22345	1.6
342.53015	1.7
398.23322	8.1
402.02069	1.7
425.26675	3.3
439.25818	2.3
439.35715	3.7
440.29205	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	3.4
55.01848	4.1
55.05493	3.9
57.03417	1.6
57.07087	1.4
59.04980	2.8
60.04512	1.2
65.03937	1.3
67.05495	10.4
69.03423	7.6
69.07048	6.5
70.06585	9.4
71.04652	1.2
71.04984	14.6
71.52967	1.3
72.08134	3.5
73.02899	2.0
76.44456	1.2
79.05470	4.8
81.03404	9.0
81.07043	23.1
82.06555	1.3
83.04957	1.4
83.08595	2.9
84.04514	2.1
84.08126	5.3
85.02892	12.1
85.06528	11.2
86.09692	4.0
87.00800	3.9
87.04446	10.9
89.06001	1.6
91.05459	6.2
93.07019	3.9
93.87076	0.9
94.24009	1.0
95.04973	5.9
95.08586	23.4
96.08097	1.3
97.02867	6.8
97.06505	4.1
98.06033	2.8
99.04429	3.3
99.08068	2.8
100.07592	1.8
103.03909	1.5
105.01839	3.0
105.07004	4.8
107.04936	1.2
107.08576	7.0
108.04450	3.5
109.02851	4.3
109.06497	4.2
109.10136	16.1
110.07110	2.2
111.04391	2.4
111.08028	1.0
111.56995	1.0
113.06000	1.6
115.03892	1.6
115.07550	2.6
116.07037	1.1
117.06958	1.5
119.08571	2.8
120.08096	5.3
121.06483	2.1
121.10103	4.8
122.06014	1.4
123.04424	1.8
123.11618	1.2
124.07581	2.8
125.09620	1.9
127.03874	7.9
131.08536	3.4
133.06425	2.4
133.10115	7.4
134.02649	1.3
135.08043	8.3
135.11684	1.1
136.07538	6.5
137.05949	3.1
137.13211	2.8
139.03915	1.7
140.07031	2.9
145.10075	2.0
147.04297	1.4
147.07979	1.4
147.11656	1.2
149.05927	1.3
149.09589	2.9
151.07436	1.7
151.11151	1.0
154.08566	4.0
155.14282	27.1
157.10172	1.1
159.07962	1.6
160.07571	2.0
161.05931	3.1
161.09570	1.8
163.07512	1.9
163.08675	1.4
163.11113	1.6
164.06995	1.5
167.10541	1.1
168.06555	5.2
171.11719	1.2
173.09505	1.6
173.13277	2.7
173.15343	22.3
174.09087	3.3
175.08691	1.2
176.10681	1.5
177.05441	2.6
177.08958	2.3
177.10316	2.6
178.08601	33.9
179.10629	1.9
187.05974	1.2
187.08701	1.1
188.07028	1.7
191.06927	1.2
191.10558	1.3
191.14319	5.4
191.16301	5.5
197.11670	3.8
197.20042	1.0
202.08569	5.7
205.09695	7.3
206.08237	5.7
213.04039	1.2
213.12437	1.9
216.10052	1.6
217.12193	1.2
219.11282	4.4
220.09718	1.4
221.11589	1.7
226.02773	1.0
226.08601	1.1
229.09685	3.0
230.08076	4.0
241.09766	1.0
244.09511	1.8
247.10750	24.4
248.11115	1.3
261.12296	1.5
265.11795	14.5
271.10800	2.2
277.11771	1.1
277.14825	3.6
289.11725	7.2
304.04181	1.1
307.12848	15.5
322.15326	1.4
351.15521	13.9
369.95178	1.2
393.16418	7.6
397.15948	13.8
421.17935	4.0
439.17007	100.0
440.17148	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	438.3779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	2.0
57.07063	100.0
58.07397	1.0
58.17674	0.9
59.04698	2.0
59.04987	25.8
69.07056	1.7
69.80664	5.7
71.08614	71.8
72.08954	1.4
83.08589	2.0
85.10162	64.7
85.61382	1.0
89.06006	28.9
95.08570	1.1
97.10131	2.8
99.11700	15.4
101.09608	1.6
103.07550	5.2
107.07077	1.1
113.13235	4.9
117.09125	7.4
133.08569	23.2
137.57140	0.8
151.09618	6.8
155.17921	11.3
177.11160	1.3
191.12744	11.8
196.14409	0.9
209.13828	7.4
213.22081	19.5
239.14816	15.4
249.16930	3.6
271.26260	13.9
363.50064	0.9
376.29630	0.9
421.35135	11.7
438.36603	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
71.51865	3.3
82.06550	3.0
84.08107	6.3
85.23066	2.3
86.38816	2.3
91.05451	14.4
100.07579	3.2
101.00871	2.9
119.01901	14.5
119.04945	21.8
130.08611	8.9
131.01897	5.4
142.23967	2.1
143.01901	6.0
146.08134	13.5
147.04372	64.8
161.02962	11.0
173.02983	3.4
175.03920	7.0
177.02435	2.3
177.05579	2.1
177.24490	3.1
187.00714	2.3
205.03413	5.2
207.06468	9.5
223.04451	12.3
229.04642	10.3
233.02762	11.0
233.04764	2.3
247.04515	21.8
265.05511	7.8
275.02475	6.7
277.08908	20.1
293.03323	3.8
295.08472	2.5
361.04022	11.6
369.13858	2.3
379.04608	9.4
397.06055	6.0
439.06870	20.1
439.13879	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07056	2.4
67.05476	1.9
69.07039	0.9
69.48940	0.6
69.59478	3.5
69.59887	1.0
71.08614	2.1
79.05479	1.2
81.07030	2.3
85.10167	1.1
89.06025	12.4
91.05448	2.6
93.05769	1.7
93.07026	3.2
94.06556	18.6
95.08582	1.8
97.06489	1.1
98.20740	0.8
108.07433	1.1
108.08110	13.3
108.08827	0.5
109.10149	0.9
112.07597	1.2
118.06522	0.9
120.08080	1.5
121.19301	0.6
122.06014	63.2
123.06267	0.8
130.08632	0.7
133.08583	7.8
136.07562	26.0
137.05956	0.9
138.09187	1.4
139.07466	0.8
140.07016	4.9
154.08615	9.1
161.54584	0.7
164.07051	15.6
177.11133	1.0
182.08102	100.0
183.08444	1.8
195.12361	0.9
200.09155	14.0
239.14865	14.4
421.35410	1.2
438.32016	17.9
439.32135	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06973	1.5
55.01846	3.3
55.05494	6.4
57.03426	3.7
57.07077	2.1
60.84028	1.5
61.02906	3.3
64.01357	1.6
67.05514	9.5
67.05816	2.2
69.03412	8.4
69.07066	10.5
70.01919	5.2
70.02323	2.9
70.06564	5.4
71.04969	1.7
71.08618	45.2
73.02902	4.2
75.90267	1.8
79.05467	5.7
81.03394	7.6
81.07047	8.9
82.07362	2.4
83.04953	2.0
83.08592	2.0
84.08123	6.2
85.02898	22.0
85.06512	2.2
87.00798	5.2
87.04462	1.8
88.02193	6.3
91.03941	2.8
91.05466	6.5
93.07018	6.4
95.04958	2.9
95.08588	11.2
96.08969	1.9
97.02847	11.1
97.06541	2.0
99.04427	5.8
99.08079	100.0
100.07585	3.6
105.01823	6.2
105.07021	13.5
107.04927	1.8
107.08584	7.7
108.97221	1.5
109.02847	6.8
109.06525	2.7
109.10153	7.8
110.07131	10.5
119.08591	9.5
120.08079	3.5
120.08877	2.9
121.06516	1.7
121.10117	6.0
127.03873	10.5
129.12712	11.2
131.08549	5.5
133.10107	7.1
134.02701	3.5
134.10429	2.1
135.11644	2.7
136.07559	2.0
137.13242	3.0
143.08525	2.1
145.04930	5.6
145.10078	7.7
147.04364	1.9
147.11639	2.7
148.11938	2.1
155.14287	5.3
156.07668	5.3
159.02850	3.8
159.11688	5.2
161.09558	2.6
165.60635	2.4
173.11732	2.2
173.15343	74.7
175.14774	2.3
187.14749	1.8
188.15070	2.2
189.16327	3.2
191.17952	3.7
192.18272	2.7
201.16373	3.3
202.16695	4.3
203.17821	2.5
229.69978	1.5
230.15474	2.9
233.15395	2.2
238.23737	1.7
248.17358	1.9
271.10645	2.0
274.18066	2.1
379.17078	1.7
416.30228	1.8
430.58566	1.6
438.09000	2.6
438.20251	3.1
438.26044	7.4
438.34241	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	438.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06973	1.5
55.01846	3.3
55.05494	6.4
57.03426	3.7
57.07077	2.1
60.84028	1.5
61.02906	3.3
64.01357	1.6
67.05514	9.5
67.05816	2.2
69.03412	8.4
69.07066	10.5
70.01919	5.2
70.02323	2.9
70.06564	5.4
71.04969	1.7
71.08618	45.2
73.02902	4.2
75.90267	1.8
79.05467	5.7
81.03394	7.6
81.07047	8.9
82.07362	2.4
83.04953	2.0
83.08592	2.0
84.08123	6.2
85.02898	22.0
85.06512	2.2
87.00798	5.2
87.04462	1.8
88.02193	6.3
91.03941	2.8
91.05466	6.5
93.07018	6.4
95.04958	2.9
95.08588	11.2
96.08969	1.9
97.02847	11.1
97.06541	2.0
99.04427	5.8
99.08079	100.0
100.07585	3.6
105.01823	6.2
105.07021	13.5
107.04927	1.8
107.08584	7.7
108.97221	1.5
109.02847	6.8
109.06525	2.7
109.10153	7.8
110.07131	10.5
119.08591	9.5
120.08079	3.5
120.08877	2.9
121.06516	1.7
121.10117	6.0
127.03873	10.5
129.12712	11.2
131.08549	5.5
133.10107	7.1
134.02701	3.5
134.10429	2.1
135.11644	2.7
136.07559	2.0
137.13242	3.0
143.08525	2.1
145.04930	5.6
145.10078	7.7
147.04364	1.9
147.11639	2.7
148.11938	2.1
155.14287	5.3
156.07668	5.3
159.02850	3.8
159.11688	5.2
161.09558	2.6
165.60635	2.4
173.11732	2.2
173.15343	74.7
175.14774	2.3
187.14749	1.8
188.15070	2.2
189.16327	3.2
191.17952	3.7
192.18272	2.7
201.16373	3.3
202.16695	4.3
203.17821	2.5
229.69978	1.5
230.15474	2.9
233.15395	2.2
238.23737	1.7
248.17358	1.9
271.10645	2.0
274.18066	2.1
379.17078	1.7
416.30228	1.8
430.58566	1.6
438.09000	2.6
438.20251	3.1
438.26044	7.4
438.34241	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	438.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.7
55.05494	1.1
56.05008	1.5
57.03439	0.6
59.88787	0.5
61.01134	1.2
62.06061	0.5
67.05502	0.9
69.03418	5.8
69.07044	1.0
70.06570	3.7
70.44981	1.7
71.04967	0.9
72.08132	0.9
78.03432	1.1
78.59995	0.5
79.05479	1.7
80.05015	0.5
81.03400	1.8
81.07029	3.8
81.76481	0.5
83.04975	1.2
83.08605	4.7
84.04471	0.7
84.08128	4.2
85.02892	3.2
85.06516	0.5
86.09675	1.8
88.02193	0.8
88.03967	1.1
91.05443	1.7
93.07034	3.8
94.48393	0.5
95.04911	1.2
95.08589	4.9
96.04498	0.7
97.02873	15.3
97.06509	1.8
98.06051	0.9
99.04462	1.1
104.05318	2.6
105.06989	1.8
106.02876	3.2
107.08572	9.8
109.02863	2.1
109.06488	2.0
109.10135	1.1
110.07108	0.6
111.04408	0.6
111.08044	1.4
113.05983	0.5
119.04903	0.5
119.08592	2.4
119.09270	0.4
120.08096	0.5
121.10112	4.6
123.04383	0.8
123.08054	3.7
123.82634	0.5
124.03925	8.9
125.05984	0.9
125.09605	6.6
126.05495	2.6
127.03872	1.8
129.10258	2.8
130.08601	0.7
130.29901	0.4
131.08542	0.4
132.01172	0.6
134.02707	0.5
135.11664	3.7
136.06165	1.1
136.07585	0.6
137.05981	0.7
137.09567	2.2
139.07501	0.6
139.11142	2.5
140.07069	0.6
143.03412	0.6
145.10136	3.0
146.06323	1.5
147.08022	1.6
153.01804	2.1
153.12723	2.8
154.04980	3.2
159.04735	0.5
159.07634	0.7
159.11630	1.3
161.09596	0.5
163.11136	4.7
165.09073	6.0
174.05800	1.2
176.46330	0.5
177.05530	0.5
177.12746	0.9
181.12202	20.8
186.12335	0.6
187.07210	0.5
187.11281	0.7
202.08897	1.5
205.12212	4.0
216.12300	0.5
223.13249	100.0
224.13576	2.0
241.14301	3.1
247.10725	0.6
250.07022	1.9
268.08127	5.1
280.07959	0.5
303.17758	0.5
334.12808	0.4
344.88602	0.4
439.16690	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.7
55.01850	2.0
55.05495	2.5
57.03419	2.4
57.07067	0.5
59.04984	2.0
61.02918	1.0
67.05475	1.7
68.99755	0.5
69.03419	7.7
69.07056	5.3
69.56098	1.0
69.56510	3.3
70.06576	1.6
71.04967	1.8
71.08618	45.8
73.02896	2.5
79.05481	1.2
81.03407	7.3
81.07034	3.4
83.04960	0.8
83.08587	0.6
84.08131	1.1
85.02889	19.7
87.00815	8.7
91.05459	2.0
93.07016	2.1
95.04960	0.8
95.08591	2.7
97.02869	10.0
99.04449	2.6
99.08073	100.0
99.24789	0.6
100.07558	0.9
100.08408	0.7
103.05433	0.6
105.01852	7.1
105.07007	1.9
107.04910	0.5
107.08569	1.5
109.02857	5.8
109.10114	1.1
111.04432	1.0
115.03932	0.7
117.01838	0.7
119.08546	4.1
120.08862	0.9
121.06518	0.5
121.10133	1.6
123.11722	0.9
127.03889	11.5
129.01790	1.0
129.12726	10.7
131.08568	1.1
133.10114	1.6
135.11668	0.7
137.13165	0.8
143.08572	0.8
145.04926	4.8
145.10094	1.4
149.09543	0.6
155.08571	3.3
155.10570	0.7
155.14247	3.5
157.10094	0.6
159.02846	4.4
159.11652	1.3
160.12079	0.7
165.09068	0.6
173.15338	77.3
174.15686	1.1
185.13240	0.6
187.14793	0.5
191.17963	0.9
191.23402	0.5
192.18222	1.2
201.16365	1.1
202.16656	1.2
204.18279	0.7
208.14021	0.6
231.04886	1.1
300.78622	0.6
437.41626	0.6
438.34418	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	437.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.2
53.03943	2.1
55.01864	5.1
55.05505	1.6
56.96548	2.5
58.99587	4.7
61.01159	1.3
65.03917	2.2
67.05482	3.0
69.03427	1.2
70.06577	2.2
70.13240	0.8
70.53333	1.9
70.53664	1.3
72.08138	1.0
73.02908	2.0
73.25012	0.9
76.02209	1.7
76.81093	0.9
77.03870	0.9
79.05485	14.4
81.07036	1.8
84.04493	1.7
84.08131	3.5
85.02907	1.4
86.00664	1.2
86.99011	1.0
88.02204	73.7
88.03985	3.2
89.03875	1.0
91.05468	56.9
92.05830	1.0
93.07030	50.4
95.04939	4.4
95.08599	9.3
97.02884	0.8
98.20752	0.9
98.94444	0.8
98.97563	3.1
100.03974	1.7
100.07613	1.3
102.53677	0.8
103.05472	2.2
103.39012	0.9
104.06226	2.1
105.00092	1.8
105.03419	1.5
105.04483	1.2
105.07016	5.0
109.06520	0.9
109.10126	1.2
111.04419	1.1
116.98563	1.3
117.03365	1.0
117.06998	12.5
119.04914	2.6
119.08566	100.0
120.08907	1.4
121.10133	8.8
122.02731	5.8
123.04385	4.4
126.05486	2.7
128.06181	0.8
129.06981	5.5
130.06511	1.0
130.08614	3.0
131.01849	0.8
132.01143	2.7
134.02695	32.8
137.05984	2.0
137.09605	11.0
138.05490	1.0
141.49585	0.9
146.08173	3.9
147.04396	8.0
147.08026	52.2
161.02943	1.0
165.09099	13.4
170.99574	1.0
177.05424	3.4
178.05817	0.9
182.11772	6.4
203.04010	1.1
204.03230	2.8
233.85222	0.8
237.02802	0.9
238.01991	1.4
239.02238	1.6
254.12213	1.1
255.04663	12.8
258.03650	1.1
286.11032	12.3
298.11078	8.8
373.12268	1.4
419.12988	61.0
420.13293	2.0
437.14191	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	438.106
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.6
56.05019	0.7
57.03437	1.9
58.99570	1.1
60.04499	0.4
67.05488	0.5
68.05009	0.4
69.03413	0.9
70.02932	0.5
70.06570	1.4
70.99584	0.3
71.01346	2.2
71.04970	0.4
71.51318	0.6
72.04501	0.6
72.08134	0.5
73.02908	3.1
74.00655	0.5
75.04465	0.6
76.02207	1.3
76.03993	0.6
77.82485	0.3
79.05476	0.5
80.05000	0.7
81.03400	0.4
81.07033	0.6
82.06557	0.4
83.01314	0.5
83.04980	0.3
83.06061	0.4
84.04494	6.9
84.08139	1.4
85.01125	3.1
85.02891	8.5
85.06522	0.4
86.00628	2.4
86.06023	0.4
86.09689	0.9
86.99036	4.6
87.02699	0.5
88.02207	1.8
89.02525	0.5
90.54904	0.3
91.05477	0.5
93.07037	0.6
95.01324	2.8
95.04951	1.6
95.54877	0.3
97.01086	0.4
97.02863	0.7
97.06511	1.3
99.00757	0.7
101.02359	0.5
102.03750	1.7
102.05516	1.3
103.03950	1.6
107.08584	0.4
109.02839	0.3
110.06004	0.3
111.61396	0.3
112.02161	3.9
113.02349	2.4
114.03714	0.8
116.01663	1.7
116.07049	0.7
118.03201	0.4
119.08656	0.3
123.00716	0.3
126.03753	0.3
127.03922	0.5
129.06586	0.5
129.10234	0.9
130.03204	1.2
130.04980	2.5
130.08679	0.4
131.03386	1.7
132.01149	0.3
134.02676	0.5
137.05959	0.4
137.08342	0.3
140.01646	1.4
141.01802	4.5
142.03192	1.5
143.02733	2.2
144.01085	0.4
144.04755	0.7
145.02856	0.6
145.06090	0.4
146.02705	0.9
147.04382	0.5
148.04233	0.4
149.05910	0.4
158.02690	1.3
159.02872	1.0
162.02167	0.9
169.04150	0.7
170.02661	6.9
170.06308	0.3
170.72488	0.3
177.03294	0.8
177.05472	0.6
179.04939	0.7
188.03735	100.0
189.03180	7.0
196.04260	0.9
202.99309	0.3
206.08411	0.6
215.04828	3.6
217.06393	0.8
224.03746	0.4
233.05907	1.4
244.06342	7.1
257.09473	0.4
262.07404	63.7
263.07788	0.7
287.06982	1.2
291.10043	2.8
305.12424	0.7
311.05994	0.4
329.06699	0.5
345.07492	0.4
362.10046	0.7
420.09335	1.0
438.09958	6.8
438.15173	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	436.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94970	1.2
55.05505	3.3
57.03427	3.0
57.07070	99.6
58.07417	1.4
59.04995	55.5
63.18369	1.5
67.05482	2.0
69.07049	4.9
70.76426	1.4
70.82990	1.3
70.83337	3.4
71.08625	100.0
72.08940	1.6
73.02852	1.5
81.07034	3.8
83.04978	2.9
83.08607	4.3
84.82809	1.5
85.10175	90.7
87.04453	30.6
89.06054	1.6
93.06998	1.6
95.08580	1.7
97.10141	1.8
99.11733	10.8
101.09645	2.6
103.07570	1.8
107.08575	1.8
109.10143	2.3
115.57419	1.4
117.09119	18.1
127.96859	1.2
137.74063	1.2
141.16380	9.5
158.11720	1.6
181.19359	1.4
195.66298	1.3
198.93936	1.4
199.20566	24.4
204.24629	1.3
240.23282	1.6
257.22171	1.4
257.24734	22.9
258.25195	1.5
303.04608	1.7
304.05325	3.2
391.34143	6.9
419.25320	5.1
419.33411	3.0
437.34256	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	437.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.8
53.36844	0.9
55.01859	3.1
56.05031	1.7
56.96555	1.0
57.03426	1.1
58.99581	6.2
59.25272	0.7
60.04505	1.3
61.01135	2.3
65.03931	0.7
67.05501	1.9
68.05011	1.0
69.03432	1.8
69.60976	5.4
70.06581	7.0
71.04970	0.7
71.06919	0.7
72.04478	0.9
72.08147	3.5
73.02887	1.7
78.07253	0.7
79.05479	4.4
81.03395	1.3
81.07057	2.0
84.04478	3.0
84.08135	5.0
85.02895	4.3
86.09689	2.9
86.99045	3.5
88.02203	100.0
88.03965	2.1
89.02522	0.8
90.03769	2.4
91.05463	7.5
93.07024	10.8
95.04952	3.9
95.08588	0.9
97.02873	1.6
97.06486	1.0
102.03754	26.4
102.05505	1.4
105.00069	3.0
105.06998	2.6
107.04944	0.9
107.08574	4.6
109.02878	1.0
110.07150	1.5
111.08078	2.0
116.07078	1.5
117.00089	0.8
117.07009	1.1
118.03219	21.6
119.01608	5.3
119.04978	2.1
119.08563	5.6
120.08098	1.2
121.02829	1.2
121.10161	2.1
122.02692	2.7
122.06023	1.2
123.04395	1.1
123.08044	1.7
125.09611	1.0
127.03912	1.3
129.10214	2.0
130.08617	2.8
131.08751	0.8
132.01164	1.0
133.06439	0.8
134.02695	39.6
135.08025	8.1
136.07545	1.5
137.02327	0.9
137.05957	2.4
143.02705	1.0
145.04942	1.4
146.02686	41.9
147.03279	1.0
147.04353	5.1
147.08075	2.6
148.04248	26.1
148.26743	0.8
150.05493	0.6
151.07486	1.5
153.09009	1.1
161.05957	0.9
165.09103	1.3
167.07051	1.9
169.08514	1.0
174.13560	0.9
175.03923	0.8
176.04158	0.7
177.05380	1.8
179.07056	1.3
182.11707	1.0
193.04970	2.6
194.05193	0.9
200.12735	5.8
207.06432	1.4
208.06998	0.9
267.04611	1.0
270.13394	1.1
275.07791	1.8
286.11115	2.0
287.11310	2.6
304.12094	22.6
305.12277	0.8
316.08420	1.3
316.12061	17.0
334.24557	0.8
350.65054	0.8
391.13440	1.5
419.12952	2.1
419.18079	1.2
437.14078	61.2
437.19525	4.7
438.14594	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	436.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
55.01853	0.5
55.05495	1.5
57.03417	0.6
58.36624	0.2
59.04996	1.3
61.02908	0.4
61.36896	0.2
61.97996	0.2
62.06029	0.3
67.05474	0.7
68.15043	0.2
69.03411	1.7
69.07056	1.6
69.47254	1.0
69.47685	0.7
70.06581	0.5
71.04976	11.0
72.05305	0.2
72.08138	0.5
73.02885	0.4
73.06542	3.0
79.05475	3.4
80.60690	0.2
81.03394	0.8
81.07037	14.2
83.04964	0.3
84.08121	0.4
85.02415	0.4
85.02891	4.0
85.06541	0.3
86.09705	0.2
87.00790	2.0
91.05447	1.2
93.07025	10.2
95.04936	0.6
95.08585	2.2
97.02877	1.4
97.06506	1.3
99.04428	0.4
101.73618	0.2
105.01849	3.2
105.07001	0.4
107.04914	0.3
107.08572	8.2
109.02869	0.8
109.06524	0.3
109.10142	1.6
111.08013	0.4
115.03883	0.3
119.04936	0.2
119.08553	0.6
121.10104	0.3
123.04408	0.3
123.15826	0.2
125.02415	0.3
127.03898	2.6
135.11659	17.9
136.07558	0.3
136.12038	0.4
137.05925	0.3
145.04970	1.1
153.01804	0.3
153.12708	100.0
154.13049	2.3
159.02863	0.4
164.06985	0.5
167.07019	0.6
171.13683	0.3
177.05573	0.2
181.04974	0.5
182.05263	0.3
191.03339	0.6
193.14421	0.2
231.04970	0.5
249.05983	0.9
303.04916	1.7
304.05197	6.0
305.05429	0.6
311.13794	0.6
343.08124	0.4
418.15463	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46018	0.8
55.05491	2.2
56.07160	1.0
57.03433	1.9
57.07066	100.0
58.07404	1.1
59.04713	1.6
59.04993	31.1
69.07055	2.2
69.25383	8.1
69.25798	2.3
71.08620	75.6
73.02511	1.5
73.02907	27.1
83.08616	2.8
85.10170	64.6
87.04450	4.2
93.06995	1.5
94.76240	1.1
97.10146	3.7
99.11712	16.2
101.09647	2.3
105.07017	1.4
109.06554	1.3
111.11673	1.1
113.13248	4.6
117.09113	13.9
155.17912	8.3
189.11192	2.7
199.62315	1.0
213.22095	16.8
230.17346	1.0
254.24628	1.7
267.31644	1.1
269.13968	1.1
271.26257	15.7
272.26611	1.1
304.05219	1.9
307.11200	1.0
332.56625	1.2
391.34021	3.9
436.29810	1.3
456.13126	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	7.5
55.01855	7.1
55.05486	4.9
57.03418	6.0
61.02912	4.9
67.05505	4.8
69.03410	20.4
69.07056	4.1
69.28442	12.8
69.28855	7.3
71.04975	3.4
73.02904	8.7
74.58124	2.0
79.05484	13.1
81.03397	19.3
81.07052	10.6
85.02883	55.3
87.00807	23.6
91.05457	21.9
93.07023	65.5
95.04952	4.1
95.08594	5.5
97.02871	31.1
99.04439	9.8
105.01846	27.1
105.07003	7.0
107.08572	100.0
107.09298	5.2
108.08878	3.1
109.02862	17.9
109.06507	3.5
109.10069	2.7
119.08569	4.3
121.10126	2.9
127.03885	39.2
128.43417	2.1
129.01793	3.7
133.04861	3.5
135.11665	89.0
137.13187	3.8
145.04932	18.9
147.11572	2.5
149.75084	2.2
151.28429	1.9
153.12738	11.7
159.02896	13.9
165.12685	4.0
171.13748	2.7
181.83228	2.1
230.05222	2.8
231.05009	6.8
261.14813	4.6
303.04910	30.7
304.05273	84.1
305.05466	9.1
329.92642	2.2
347.15063	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2733
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
55.05497	8.0
57.03415	3.6
57.07055	3.7
65.03938	1.2
66.65296	1.1
67.05493	10.9
69.07055	21.2
69.85955	7.4
73.02896	4.6
79.05473	4.6
80.53059	1.2
81.07047	17.2
83.04947	1.4
83.08601	11.2
84.08105	3.1
88.81958	1.4
91.05453	13.2
93.07019	8.2
95.04977	1.3
95.08590	14.6
97.06510	1.9
97.10164	14.0
99.08067	1.7
100.07600	4.0
105.07002	4.6
107.08573	5.0
109.06503	4.1
109.10141	6.7
111.08035	1.8
111.11700	6.0
115.03935	1.4
119.04931	21.8
119.08564	5.6
121.10134	6.9
123.11687	4.9
124.46868	1.0
125.13248	2.6
130.08607	3.2
133.10120	7.0
135.08006	1.6
135.11685	7.5
137.02306	2.2
137.09592	2.0
137.13254	2.3
139.11168	1.7
145.10088	2.2
147.04381	100.0
147.11674	5.0
148.04747	2.3
151.11107	1.6
153.01822	3.5
161.13217	5.0
165.05432	6.2
165.12733	3.1
169.10144	1.3
175.14763	1.7
179.14256	1.4
197.15253	1.9
217.19484	14.8
229.04878	3.4
235.20517	16.1
249.72049	1.3
253.21556	13.7
257.04309	2.9
271.22684	1.6
303.04932	73.3
304.05252	6.3
343.22125	1.7
435.32980	1.6
435.39325	5.7
438.90472	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	435.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39239	0.3
56.05022	1.4
57.03426	0.5
67.05475	0.8
69.03400	0.5
69.07051	0.6
69.23071	3.9
73.02902	1.2
79.05489	0.3
80.45264	0.3
81.07043	1.1
84.08126	59.7
85.08464	0.6
91.05510	0.3
93.06996	0.4
95.08590	1.0
98.09718	0.4
100.07631	0.6
105.07007	0.9
105.15842	0.3
107.08566	0.7
109.10159	0.6
119.08578	0.9
121.10128	0.5
125.22546	0.3
130.08614	100.0
131.08888	1.0
133.04965	0.3
133.10129	0.4
133.74533	0.3
137.02338	0.7
137.05933	4.2
145.10107	0.7
147.11687	0.5
153.01747	0.4
155.60214	0.3
161.13202	0.5
187.14796	0.5
189.16321	0.6
191.18008	0.4
194.30502	0.3
194.45374	0.4
201.16307	0.5
229.04919	0.6
245.15282	0.4
257.04440	0.8
303.01477	0.7
303.04922	11.8
304.05222	1.4
422.99533	0.4
435.32416	1.1
435.40497	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	8.2
55.01626	1.9
55.01857	12.7
55.05472	2.0
56.31370	1.8
57.03405	6.1
58.99573	1.6
60.47569	1.7
61.02903	7.4
65.03918	3.5
66.57082	1.7
68.99767	4.1
69.03070	2.7
69.03417	35.9
69.07055	2.1
69.34854	1.8
69.77673	6.2
69.78078	3.8
70.06556	4.9
71.04956	5.7
72.08119	1.9
73.02901	9.7
79.05475	2.8
79.20781	1.9
80.00201	1.4
80.04992	1.9
81.03402	36.8
83.01311	2.2
84.08138	10.1
85.02890	100.0
86.09634	1.7
87.00815	36.8
88.02180	5.2
88.03971	2.8
91.03925	2.9
91.05453	5.0
95.01306	2.0
97.02274	2.6
97.02878	38.6
97.03500	3.2
98.06035	2.6
98.20797	2.5
99.04436	18.5
103.03901	4.7
105.01857	33.0
105.07018	3.8
107.04932	9.7
108.04494	8.1
109.02864	32.7
111.04411	16.0
117.01821	4.2
117.03378	2.3
119.08549	2.5
121.02831	3.2
121.10147	2.1
125.05937	1.7
126.05479	4.7
127.03896	67.9
128.04240	2.0
129.01794	5.8
129.58141	1.6
130.08621	17.3
131.08557	2.2
134.02705	1.7
135.04398	4.9
135.08005	1.9
137.05949	2.8
138.05508	2.1
139.03879	48.3
144.63724	1.9
145.02942	2.9
145.04929	33.1
146.08070	5.0
147.02843	5.2
147.04362	5.1
147.07990	2.3
149.05936	1.8
151.07535	11.6
152.07872	3.1
153.08026	2.5
159.02876	19.9
163.03889	15.5
167.07016	3.2
171.06494	70.0
177.05429	6.4
181.04906	6.9
189.02411	1.7
189.03947	7.5
195.06499	31.4
205.04898	2.9
209.08023	2.5
213.03972	2.3
213.07539	28.0
216.24004	1.9
230.06573	3.8
231.04971	15.0
233.08087	2.7
237.07530	19.6
239.02205	1.9
239.12914	2.3
248.07613	9.4
256.10773	4.1
258.54642	2.0
261.07620	9.7
263.92825	1.6
266.08701	2.9
279.08609	19.5
286.11108	8.4
294.87213	2.3
332.01895	1.7
383.09610	4.1
417.76205	1.7
418.15201	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	435.2499
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
53.03929	1.9
54.97614	1.2
55.05501	17.0
57.03428	10.7
57.07042	3.6
57.48368	1.1
65.03924	1.3
67.05490	39.6
69.03382	1.3
69.07053	22.3
69.85690	7.0
71.04961	1.5
73.02897	1.4
79.05471	12.7
81.06572	2.3
81.07040	39.0
83.08597	11.9
85.06514	1.6
85.10176	1.5
90.04854	1.3
91.05461	6.6
93.07023	12.3
95.08588	41.8
97.06496	4.1
97.10161	6.4
98.98444	52.7
105.07016	7.6
107.08567	7.4
109.10136	16.8
111.08080	2.2
119.08564	5.9
121.10137	7.5
123.08016	1.9
123.11674	6.1
125.09612	1.5
133.10129	6.5
135.11678	3.5
137.13187	3.4
144.71547	1.5
147.11655	4.4
149.13226	3.4
151.14729	3.7
153.01810	1.7
155.01009	24.2
161.13235	4.0
163.14763	1.8
165.16266	2.1
173.02086	8.7
175.14778	2.4
185.08647	1.3
187.63158	1.3
229.07521	1.9
245.22594	12.8
247.08521	1.6
255.57845	1.7
263.23657	26.3
296.10150	1.7
303.04956	19.4
304.05252	1.9
337.27295	100.0
338.27695	3.1
348.84354	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	435.273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	8.5
57.03410	4.0
67.05489	7.2
69.03419	3.0
69.07050	12.7
70.71760	3.1
70.72147	3.4
71.04959	1.9
71.08617	1.7
73.02896	5.9
74.95040	1.4
79.05476	4.5
79.88696	1.5
81.07041	14.5
83.08608	7.0
84.08131	2.6
85.02897	2.7
86.09689	2.1
89.17501	1.8
91.05457	8.8
93.07033	8.5
95.08593	14.8
97.06496	2.4
97.10155	10.0
98.21526	1.8
100.07571	3.2
105.07005	5.6
107.08582	7.0
109.06518	1.8
109.10130	6.2
111.11673	5.8
115.03970	1.7
119.04924	16.7
119.08567	17.7
120.08885	9.5
121.09249	3.3
121.10112	9.3
123.11753	3.0
125.13295	2.7
131.08536	2.9
133.10085	4.7
135.08025	3.1
135.11667	5.4
137.02333	3.7
137.13170	2.4
145.10114	5.7
147.04385	70.8
147.11668	3.1
151.14761	2.2
153.01790	4.0
157.10063	2.2
159.11647	3.5
161.13223	3.5
165.01834	2.4
165.05467	15.2
165.12743	1.9
175.14687	2.3
179.14330	2.2
189.16327	2.1
201.05415	2.3
217.19502	12.6
219.06380	1.8
229.04958	3.9
235.20523	13.5
246.08266	1.5
247.02998	1.4
253.21623	10.9
257.04456	2.8
303.04935	100.0
304.05292	7.8
417.30777	1.8
435.32080	5.1
435.40314	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02131	2.0
55.01855	2.7
55.05505	21.4
57.03431	18.0
57.07056	11.2
67.05491	65.2
69.06774	2.2
69.07063	24.8
69.36907	21.5
71.08620	6.7
73.02908	4.5
73.53748	2.3
79.05469	19.1
81.07041	69.6
83.04979	2.8
83.08604	19.6
85.06552	2.8
85.10207	4.0
89.05969	3.8
91.05457	16.3
93.07030	22.6
95.04940	3.4
95.08590	63.7
97.06506	6.3
97.10162	8.4
98.21493	4.3
98.98447	100.0
99.08105	4.0
105.07008	10.4
107.08568	15.3
109.06536	3.6
109.10139	32.4
110.01546	2.2
110.96238	2.6
119.08549	10.4
121.10131	14.3
123.08068	2.5
123.11673	10.8
133.04941	3.8
133.10115	9.2
135.11641	8.0
136.86093	2.3
137.13208	9.2
140.00926	2.7
147.11623	8.7
149.13232	10.1
151.14792	4.5
153.01833	4.1
155.01013	83.4
161.13219	5.0
163.14790	7.1
165.16354	4.3
166.02248	2.3
173.02074	8.9
175.14786	5.6
213.18523	8.0
229.04956	4.5
245.22614	24.1
263.23676	62.7
303.01492	5.1
303.04941	82.0
304.05417	6.7
337.27325	74.1
338.27350	3.9
435.80255	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25086	0.7
53.03931	2.9
55.01868	1.1
55.05501	1.9
57.03424	4.3
57.47515	0.8
60.04512	1.2
61.02919	1.2
67.05484	1.7
69.03422	7.4
69.07050	1.4
70.06586	12.3
70.80426	1.1
70.80762	1.4
71.04983	3.1
72.08126	2.0
73.02900	2.7
74.06076	0.9
74.48370	0.6
77.31594	0.8
81.03405	9.6
81.07027	1.6
83.04958	3.5
84.04494	0.9
84.08123	2.6
85.02892	27.8
86.09685	3.2
87.04437	0.9
88.02197	0.9
88.03963	0.9
91.05415	1.4
93.07037	2.0
95.04966	1.2
95.06094	1.2
97.02882	19.1
97.06552	0.7
99.03841	1.3
99.04446	17.4
100.07615	1.1
101.06005	5.9
103.03927	29.4
105.07014	0.9
107.04918	1.5
107.08571	1.1
109.02872	11.9
109.06474	0.8
110.07114	0.9
111.04438	2.7
111.08092	1.2
112.08691	1.9
115.03905	1.2
115.08710	1.1
116.07057	1.0
117.27481	0.7
119.04931	0.8
119.08572	1.6
120.08099	7.9
121.10120	0.9
122.06054	0.9
123.04434	1.0
124.03967	1.1
124.07558	1.8
127.03896	49.3
129.05460	100.0
129.10268	0.8
130.05807	1.9
130.08626	1.2
133.10144	0.8
134.02754	0.9
135.04419	1.0
137.02383	0.9
137.05936	3.1
139.11154	0.8
140.07019	0.8
145.04941	27.4
147.04356	1.0
147.08026	0.8
147.81561	0.8
149.05949	0.6
150.05469	0.7
151.07509	1.1
153.01718	0.8
160.07536	0.8
161.05945	3.6
163.06015	8.8
163.07416	1.0
164.07146	1.0
167.07033	1.4
169.04985	1.8
177.05453	2.9
187.06003	3.5
189.09138	1.2
191.03429	0.8
199.05881	0.9
199.12013	0.8
205.07039	2.1
207.10147	2.7
209.07898	1.0
229.04732	0.8
263.13892	1.7
271.08060	3.2
303.04987	7.1
303.14236	1.3
417.16489	1.3
435.17661	2.6
435.23352	4.2
435.28189	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03903	1.2
55.01828	3.0
55.05481	1.3
57.03428	3.4
58.26455	0.7
59.04958	0.7
61.02893	0.9
65.03907	2.0
67.05463	2.7
69.03381	1.9
69.07029	2.1
69.61755	2.0
69.62178	2.7
70.06543	1.5
72.04485	0.6
73.02895	5.7
73.58731	0.6
79.05442	2.8
81.03371	1.0
81.07046	5.3
83.08583	0.8
84.08138	3.6
85.02853	2.9
85.06517	0.6
86.09660	0.7
87.04429	0.6
91.05435	2.6
93.07027	3.4
95.04905	1.9
95.08576	4.2
97.02837	1.1
97.06499	1.0
98.09633	1.8
99.04400	0.8
100.07616	3.1
105.06982	2.6
107.04899	2.5
107.08520	1.8
109.02822	1.2
109.06528	0.8
109.10108	2.7
110.03597	0.7
111.00762	1.3
111.04393	0.7
111.08028	1.3
111.46977	0.6
112.11194	1.1
115.03876	1.7
117.06996	1.1
118.76640	0.7
119.04882	0.7
119.08542	1.7
121.02773	1.0
121.06484	0.7
121.10100	2.2
123.04420	3.8
123.08016	1.3
123.11687	1.1
125.09631	0.7
127.03840	1.8
129.06969	1.2
129.13847	1.0
131.04884	0.9
131.08539	1.5
133.04889	1.8
133.10078	1.5
135.11658	1.1
137.02338	3.3
137.05943	3.1
143.08534	0.9
145.06378	1.4
145.10054	2.7
147.04353	1.1
147.11603	0.8
149.05962	0.9
149.13197	0.8
151.07474	0.6
153.01759	3.7
159.11638	0.9
161.05916	1.6
161.13234	1.1
163.03873	1.2
163.07535	0.8
165.01787	2.5
167.06989	9.4
169.09988	0.8
169.13344	1.0
172.05151	1.2
173.05919	1.2
175.07471	0.7
175.14743	0.9
177.08990	0.9
181.04941	11.1
181.08565	1.0
183.10211	0.7
186.06474	1.0
187.03780	0.7
187.07420	1.6
191.03304	0.8
191.06927	0.7
201.05400	2.9
201.16412	1.0
209.08090	1.5
215.06946	3.4
221.07999	0.8
227.05244	1.5
229.04918	4.4
231.53058	0.7
233.08011	4.5
257.04413	2.7
263.09140	1.6
271.04190	2.5
274.04651	1.1
285.03864	0.8
287.05408	0.8
303.04929	93.7
304.05231	3.0
313.06961	1.5
349.12433	3.4
373.12378	0.9
387.14096	1.2
391.13556	28.6
392.13965	0.8
396.01303	0.7
417.15485	4.3
435.12531	100.0
435.32742	2.4
435.40149	3.7
436.12891	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0913
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
57.03183	0.4
57.03426	5.5
59.33653	0.4
61.02919	1.8
65.03917	0.4
65.18243	0.3
68.99796	0.7
69.03398	0.3
70.95103	0.9
71.01328	0.3
73.02494	0.8
73.02906	14.0
83.08013	0.4
106.95834	0.4
111.00768	1.2
115.03896	0.9
121.02867	0.9
133.04971	0.4
137.02325	3.5
145.06479	0.5
150.82106	0.4
153.01782	3.8
163.03867	0.7
165.01811	2.9
180.77928	0.4
183.02802	0.8
183.55302	0.4
201.05490	1.7
217.20386	0.4
229.04898	4.8
230.07997	0.4
247.06013	0.6
257.04395	3.4
270.34164	0.4
274.04608	0.7
285.03857	1.4
303.04935	100.0
304.05331	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0915
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
55.01620	0.2
55.01865	2.3
57.03427	3.2
59.04967	0.5
61.02917	1.0
65.03938	0.2
67.01862	0.2
68.99766	0.7
69.03414	1.5
70.03762	0.8
71.01340	1.1
73.02502	0.2
73.02905	2.8
73.94662	0.1
79.66723	0.2
85.02891	2.0
87.04436	0.4
93.03365	0.3
95.04959	0.4
97.02879	0.8
98.20877	0.2
103.03873	0.2
106.75542	0.2
107.12590	0.2
109.02872	0.4
111.00790	1.3
115.03926	1.3
121.02834	0.7
123.04389	0.2
127.03898	0.2
133.04959	2.1
135.04356	0.3
137.02321	4.1
137.03383	0.3
145.06467	0.2
149.02296	0.5
153.01793	4.9
161.05989	0.2
163.03899	0.6
165.01804	2.2
166.02623	0.2
173.05923	0.5
181.31337	0.2
183.02858	1.1
183.04340	0.3
187.03810	0.4
195.02899	0.3
201.05432	2.3
213.05466	0.2
229.04927	5.2
239.03444	0.2
243.84869	0.2
247.05969	0.8
257.04401	3.5
274.04712	0.8
275.05444	0.2
285.03867	1.2
303.04929	100.0
304.05276	4.1
328.27567	0.2
331.96957	0.2
399.06937	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58825	0.9
53.03932	2.0
55.01868	7.0
55.05507	1.9
56.05023	1.3
57.03428	15.6
59.04976	1.5
61.02915	12.1
67.05492	3.1
69.03064	1.9
69.03419	23.6
69.07048	2.1
70.03755	1.5
70.06574	10.0
71.01357	2.8
71.04984	13.6
71.28329	1.1
71.55119	1.3
72.05221	1.0
72.08135	7.8
73.02905	62.9
74.06056	1.3
74.31380	0.9
75.04465	1.2
75.83591	1.0
76.02183	1.2
79.05486	2.2
79.06418	1.0
81.03402	6.9
81.07031	3.3
83.04964	4.4
84.04519	2.5
84.08127	6.2
85.02892	100.0
85.06541	1.2
86.06059	1.4
86.09702	4.7
87.04459	4.9
88.02201	4.5
88.03970	1.2
91.03950	3.1
91.05464	13.1
93.07035	4.1
95.04956	3.1
95.08589	2.3
95.86587	1.0
96.04455	1.2
97.02873	47.2
97.06515	2.1
99.04449	5.5
99.08051	1.5
100.07594	4.2
100.27738	1.0
101.02354	0.9
102.05508	1.2
103.03934	4.0
103.05470	1.9
105.07011	12.5
107.04934	2.4
107.08559	2.5
109.02854	9.9
109.06505	1.7
109.10151	2.6
110.06006	1.8
110.07152	1.8
111.04426	4.1
113.06001	1.1
115.03909	26.2
116.07073	3.2
117.06947	1.7
119.04956	1.6
119.08586	2.9
120.08083	4.4
121.02854	2.0
121.06483	2.4
121.10126	4.1
122.02737	1.6
122.06012	1.7
123.04471	1.5
123.06763	1.5
123.08078	1.7
123.11789	1.1
124.07592	2.3
126.05503	1.1
127.03895	30.3
129.05486	10.5
129.07004	1.5
129.10249	1.8
130.08614	2.3
131.04900	1.8
131.08556	1.5
133.04947	26.7
133.06461	1.8
133.10124	2.7
134.02689	3.8
135.04378	1.3
135.11768	1.3
136.07529	2.0
137.05957	4.0
137.09621	3.0
139.11183	1.6
140.07047	2.1
145.04929	45.1
145.10013	1.4
147.04387	3.6
147.06519	1.1
147.07999	2.7
147.11684	1.1
149.05937	2.0
149.09601	1.6
150.07605	3.7
153.01723	1.2
159.07944	1.1
161.05984	3.5
163.03954	1.3
163.06007	21.9
163.07365	2.0
163.11139	1.4
165.01851	1.2
165.09059	1.5
167.07054	3.6
169.04997	1.7
169.95975	1.0
175.07544	1.3
177.05431	2.3
181.04958	3.6
183.02798	1.2
189.09073	2.4
191.03378	2.7
192.06296	2.8
193.12080	1.0
195.02832	5.5
199.06017	1.2
201.09055	5.4
207.06566	2.5
207.10194	3.4
209.15179	2.1
217.06947	1.9
219.02847	1.7
219.10152	4.5
223.05969	5.1
227.16283	1.1
231.02747	1.5
231.10139	1.3
237.11098	1.8
237.14819	1.2
241.07018	5.1
249.11102	1.1
255.12256	3.7
259.08090	10.8
261.04004	1.8
277.09158	2.0
285.07672	2.6
285.13306	6.6
287.13867	1.5
295.10242	4.8
303.04974	4.6
303.13483	1.2
306.08902	1.3
309.11649	2.2
339.08966	1.3
351.08505	1.5
354.33408	1.2
434.20483	5.4
435.22208	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	434.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69261	1.2
53.03937	2.5
55.01839	1.3
55.05497	4.0
56.86835	1.2
57.03434	4.1
59.82519	1.1
67.05477	3.1
69.03412	8.7
69.07052	3.0
70.06579	6.0
71.04965	2.1
71.51843	1.9
72.08142	3.1
73.02908	3.4
79.05476	17.5
81.03407	2.7
81.07037	6.1
84.04501	1.6
84.08121	5.2
85.02889	10.6
86.09673	3.9
88.02195	2.0
91.05484	10.6
93.07027	64.9
94.06445	1.2
95.01312	4.7
95.04948	4.0
95.08594	2.7
97.02874	1.6
97.06499	1.8
99.04401	1.6
103.05455	4.0
105.07010	12.1
107.04900	1.3
107.08577	12.8
109.02845	2.1
109.06504	2.3
109.10132	1.4
113.02321	1.4
117.07081	1.5
119.04930	2.2
119.08556	5.3
120.08091	5.5
121.06531	3.0
121.10123	100.0
123.08054	2.5
127.03878	2.7
128.55659	1.3
129.06978	1.7
129.37354	1.4
130.08624	1.5
131.03322	1.2
131.04924	1.8
131.08511	9.0
133.10121	1.6
135.08096	1.4
137.02368	1.3
137.05920	8.6
137.09573	1.6
139.11160	2.9
141.01825	8.4
145.06422	2.7
145.10086	1.9
146.64456	1.5
147.04384	1.9
147.11621	2.2
149.09599	65.7
153.01836	1.5
159.11479	2.2
163.07494	1.3
167.10637	10.9
179.08650	1.4
191.10692	1.3
191.14244	1.5
204.66786	1.2
207.06583	1.5
219.10165	1.2
219.17284	1.7
223.13303	3.6
240.42464	1.4
241.14262	17.9
243.08653	1.6
244.09450	1.9
272.18677	1.7
273.12823	1.3
283.05911	1.4
284.06378	3.4
287.05475	1.7
288.05710	2.0
303.05020	7.1
314.07382	1.8
325.12839	2.7
350.07819	1.4
379.16495	1.4
394.38992	1.4
434.16367	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58825	0.9
53.03932	2.0
55.01868	7.0
55.05507	1.9
56.05023	1.3
57.03428	15.6
59.04976	1.5
61.02915	12.1
67.05492	3.1
69.03064	1.9
69.03419	23.6
69.07048	2.1
70.03755	1.5
70.06574	10.0
71.01357	2.8
71.04984	13.6
71.28329	1.1
71.55119	1.3
72.05221	1.0
72.08135	7.8
73.02905	62.9
74.06056	1.3
74.31380	0.9
75.04465	1.2
75.83591	1.0
76.02183	1.2
79.05486	2.2
79.06418	1.0
81.03402	6.9
81.07031	3.3
83.04964	4.4
84.04519	2.5
84.08127	6.2
85.02892	100.0
85.06541	1.2
86.06059	1.4
86.09702	4.7
87.04459	4.9
88.02201	4.5
88.03970	1.2
91.03950	3.1
91.05464	13.1
93.07035	4.1
95.04956	3.1
95.08589	2.3
95.86587	1.0
96.04455	1.2
97.02873	47.2
97.06515	2.1
99.04449	5.5
99.08051	1.5
100.07594	4.2
100.27738	1.0
101.02354	0.9
102.05508	1.2
103.03934	4.0
103.05470	1.9
105.07011	12.5
107.04934	2.4
107.08559	2.5
109.02854	9.9
109.06505	1.7
109.10151	2.6
110.06006	1.8
110.07152	1.8
111.04426	4.1
113.06001	1.1
115.03909	26.2
116.07073	3.2
117.06947	1.7
119.04956	1.6
119.08586	2.9
120.08083	4.4
121.02854	2.0
121.06483	2.4
121.10126	4.1
122.02737	1.6
122.06012	1.7
123.04471	1.5
123.06763	1.5
123.08078	1.7
123.11789	1.1
124.07592	2.3
126.05503	1.1
127.03895	30.3
129.05486	10.5
129.07004	1.5
129.10249	1.8
130.08614	2.3
131.04900	1.8
131.08556	1.5
133.04947	26.7
133.06461	1.8
133.10124	2.7
134.02689	3.8
135.04378	1.3
135.11768	1.3
136.07529	2.0
137.05957	4.0
137.09621	3.0
139.11183	1.6
140.07047	2.1
145.04929	45.1
145.10013	1.4
147.04387	3.6
147.06519	1.1
147.07999	2.7
147.11684	1.1
149.05937	2.0
149.09601	1.6
150.07605	3.7
153.01723	1.2
159.07944	1.1
161.05984	3.5
163.03954	1.3
163.06007	21.9
163.07365	2.0
163.11139	1.4
165.01851	1.2
165.09059	1.5
167.07054	3.6
169.04997	1.7
169.95975	1.0
175.07544	1.3
177.05431	2.3
181.04958	3.6
183.02798	1.2
189.09073	2.4
191.03378	2.7
192.06296	2.8
193.12080	1.0
195.02832	5.5
199.06017	1.2
201.09055	5.4
207.06566	2.5
207.10194	3.4
209.15179	2.1
217.06947	1.9
219.02847	1.7
219.10152	4.5
223.05969	5.1
227.16283	1.1
231.02747	1.5
231.10139	1.3
237.11098	1.8
237.14819	1.2
241.07018	5.1
249.11102	1.1
255.12256	3.7
259.08090	10.8
261.04004	1.8
277.09158	2.0
285.07672	2.6
285.13306	6.6
287.13867	1.5
295.10242	4.8
303.04974	4.6
303.13483	1.2
306.08902	1.3
309.11649	2.2
339.08966	1.3
351.08505	1.5
354.33408	1.2
434.20483	5.4
435.22208	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	434.164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.5
55.01855	1.0
55.05487	0.6
56.24047	0.5
57.03411	1.5
60.04510	0.7
66.64096	0.4
66.91818	0.5
67.05482	1.1
69.03406	1.8
69.07034	0.6
70.00739	1.7
70.06575	7.0
71.01323	1.1
71.04941	0.6
72.08127	1.9
73.02905	2.3
74.06072	0.5
77.40423	0.4
77.55241	0.5
81.03388	1.3
83.04965	0.7
84.04480	0.9
84.08109	2.7
85.02877	7.5
86.03221	0.6
86.09682	2.7
88.02133	0.6
89.05996	1.3
91.05459	5.3
93.07036	2.2
95.01299	0.9
95.04948	0.7
95.08588	9.0
96.04447	0.6
97.02879	2.2
99.00786	0.7
99.04452	2.3
103.03898	3.1
107.04932	0.6
107.08559	0.5
109.02856	1.6
110.06013	1.8
110.09660	3.6
113.02311	1.1
117.03346	0.7
119.04910	6.5
119.08538	1.4
120.08058	1.4
120.08875	1.2
121.06499	1.6
124.03877	0.6
124.07526	1.2
124.84062	0.4
127.03877	16.3
127.04986	6.2
128.04221	7.0
128.05333	2.4
128.06996	0.7
129.05450	1.5
129.10138	0.7
130.08603	1.2
131.03365	1.0
131.04912	0.6
134.02591	0.4
138.09103	47.5
139.09457	1.1
139.87398	0.4
141.01799	1.4
145.02808	1.0
145.04897	2.6
147.04373	7.8
147.07941	0.9
148.51251	0.5
149.05916	1.3
151.03922	0.6
157.03951	0.6
163.05989	0.8
165.09073	0.5
166.08598	100.0
167.06993	0.9
167.08960	2.7
167.10231	0.5
175.03857	8.7
177.05417	1.8
178.05746	0.7
179.06917	0.8
184.09621	2.6
193.04901	0.6
201.05705	0.6
206.53548	0.5
207.04872	0.3
207.06473	19.9
240.12241	48.6
241.12498	1.1
255.16907	0.7
258.13318	8.5
303.05014	0.8
352.11572	0.4
398.14554	0.7
416.15414	16.8
417.15674	1.5
434.13721	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.5
55.01855	1.0
55.05487	0.6
56.24047	0.5
57.03411	1.5
60.04510	0.7
66.64096	0.4
66.91818	0.5
67.05482	1.1
69.03406	1.8
69.07034	0.6
70.00739	1.7
70.06575	7.0
71.01323	1.1
71.04941	0.6
72.08127	1.9
73.02905	2.3
74.06072	0.5
77.40423	0.4
77.55241	0.5
81.03388	1.3
83.04965	0.7
84.04480	0.9
84.08109	2.7
85.02877	7.5
86.03221	0.6
86.09682	2.7
88.02133	0.6
89.05996	1.3
91.05459	5.3
93.07036	2.2
95.01299	0.9
95.04948	0.7
95.08588	9.0
96.04447	0.6
97.02879	2.2
99.00786	0.7
99.04452	2.3
103.03898	3.1
107.04932	0.6
107.08559	0.5
109.02856	1.6
110.06013	1.8
110.09660	3.6
113.02311	1.1
117.03346	0.7
119.04910	6.5
119.08538	1.4
120.08058	1.4
120.08875	1.2
121.06499	1.6
124.03877	0.6
124.07526	1.2
124.84062	0.4
127.03877	16.3
127.04986	6.2
128.04221	7.0
128.05333	2.4
128.06996	0.7
129.05450	1.5
129.10138	0.7
130.08603	1.2
131.03365	1.0
131.04912	0.6
134.02591	0.4
138.09103	47.5
139.09457	1.1
139.87398	0.4
141.01799	1.4
145.02808	1.0
145.04897	2.6
147.04373	7.8
147.07941	0.9
148.51251	0.5
149.05916	1.3
151.03922	0.6
157.03951	0.6
163.05989	0.8
165.09073	0.5
166.08598	100.0
167.06993	0.9
167.08960	2.7
167.10231	0.5
175.03857	8.7
177.05417	1.8
178.05746	0.7
179.06917	0.8
184.09621	2.6
193.04901	0.6
201.05705	0.6
206.53548	0.5
207.04872	0.3
207.06473	19.9
240.12241	48.6
241.12498	1.1
255.16907	0.7
258.13318	8.5
303.05014	0.8
352.11572	0.4
398.14554	0.7
416.15414	16.8
417.15674	1.5
434.13721	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.3
55.05497	0.5
57.03423	0.6
58.99561	0.6
60.04525	0.3
61.02910	0.6
67.05492	1.5
69.03410	2.0
70.06574	0.8
71.04668	0.5
71.05006	0.4
71.52031	0.3
72.08121	0.3
73.02905	0.6
76.02206	0.8
81.03397	0.9
81.07050	0.3
83.04962	0.3
84.04491	0.4
84.08112	0.7
85.02409	0.4
85.02894	4.8
86.09689	0.4
86.99050	0.3
88.02196	0.4
91.05458	1.3
93.07056	0.7
95.04912	0.3
95.08593	3.7
97.02875	1.5
99.04423	0.7
100.02194	1.6
103.03921	0.3
103.05451	0.4
105.00061	0.5
105.07005	0.9
108.05725	0.4
109.02879	0.5
118.03232	0.3
119.04944	1.6
122.02710	7.7
123.08060	6.4
127.03893	2.8
128.04248	1.0
129.10246	0.4
130.08627	0.4
131.04915	0.8
134.02715	0.5
136.07462	0.3
138.05469	0.9
138.09105	0.5
140.07008	0.4
145.04962	0.8
146.02681	1.8
147.04391	2.0
147.07988	0.3
151.07516	100.0
152.07893	2.1
164.03755	0.5
166.08627	1.0
175.03876	2.1
183.54456	0.2
188.03694	0.5
192.06618	0.3
193.04871	0.4
207.06494	5.2
208.09755	0.3
227.57457	0.3
240.12172	0.5
244.06198	0.3
248.05783	0.7
258.13364	0.3
272.09460	9.0
284.07925	6.7
324.33719	0.3
434.14407	0.6
434.19650	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.6
55.26978	0.5
57.48508	0.6
58.90336	0.5
65.03935	0.9
67.05473	0.7
69.03415	1.8
70.06584	3.4
71.29330	1.2
72.08127	2.3
73.02940	1.2
76.02217	1.0
77.03931	0.7
81.03381	1.3
84.08125	2.7
85.02884	4.2
86.03227	1.1
86.09673	1.3
88.02209	0.6
89.03903	0.7
89.41666	0.5
90.45935	0.5
91.05463	19.8
95.08566	1.4
97.02862	1.9
99.04443	1.2
103.03909	1.8
103.05444	0.8
107.04955	0.8
109.02896	0.8
116.07126	0.8
119.04921	29.5
119.08533	0.5
120.05233	0.9
120.08044	0.6
121.02840	0.6
121.33829	0.5
124.07552	1.4
127.03902	14.8
127.04900	1.2
128.04224	6.9
128.07097	1.1
129.10170	0.8
130.08623	2.9
131.04878	1.3
132.02049	1.5
133.02826	1.3
135.04369	0.5
136.07559	1.0
137.05920	1.3
138.05463	0.7
138.09111	7.4
145.02774	1.2
145.04918	1.7
146.06093	0.6
147.04385	27.4
149.02368	0.7
151.03856	0.8
151.07568	0.7
157.03978	2.5
163.05989	1.4
164.04602	1.2
166.08607	14.2
175.03876	47.6
176.04300	1.0
176.97906	0.7
177.05409	1.2
179.04836	0.6
179.06963	2.4
193.04955	6.8
193.21790	0.5
207.06488	100.0
208.06804	2.0
240.12248	6.1
258.13388	1.0
272.09473	0.5
319.07999	1.0
392.12833	0.6
416.15231	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	434.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	0.4
57.03415	0.5
65.03917	0.7
69.03397	1.4
69.98740	1.8
70.06576	1.6
72.08131	1.0
73.02893	0.8
77.03916	0.4
81.03381	1.2
81.07040	0.4
84.08100	0.7
85.02888	6.3
85.39336	0.4
86.03225	0.6
86.09679	0.7
88.02208	0.6
89.03862	0.6
89.06010	0.6
91.05464	18.9
92.05822	0.5
93.07056	0.4
95.04949	0.6
95.08557	1.1
97.02882	2.7
99.04413	3.0
103.03921	5.6
103.05433	0.9
107.04957	0.5
109.02881	2.1
110.05980	0.8
117.03326	0.4
118.04119	0.6
119.04918	28.3
120.08884	0.9
121.06513	0.5
124.53503	0.4
127.03894	15.8
127.04943	1.3
128.04201	3.9
128.07036	0.6
129.03334	0.5
129.05478	0.5
129.10147	0.4
129.73233	0.4
130.08595	0.7
132.02069	1.1
133.02829	0.5
135.04399	0.6
137.05945	0.6
138.09108	5.7
145.02798	1.1
145.04939	5.3
147.04381	26.8
149.02330	1.1
149.05991	0.5
157.03972	2.2
163.05977	2.8
164.04651	1.1
166.08598	13.4
166.09941	0.9
175.03877	41.6
176.04196	0.5
177.05429	1.0
178.02463	0.4
179.06966	2.5
184.09557	0.5
192.04123	0.8
205.51756	0.5
207.06485	100.0
208.06804	1.2
240.12271	6.9
258.13339	1.2
271.08176	0.6
289.09326	0.6
346.55130	0.4
382.58096	0.5
416.15378	1.5
420.00803	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.2
55.01851	0.8
56.05012	1.1
57.03431	0.9
60.04511	0.5
60.43321	0.4
61.01133	0.5
65.03920	1.5
67.05465	0.6
69.03401	2.0
69.07050	0.8
70.06580	6.5
70.50954	1.3
70.51279	0.5
72.08128	1.5
73.02908	0.6
74.06061	0.5
75.04471	0.5
77.03917	1.0
78.37795	0.5
79.05461	0.6
81.03385	2.2
81.07027	0.7
82.06550	0.6
83.04952	0.6
84.04485	0.9
84.08103	3.3
85.02897	3.5
86.09692	3.3
87.00817	0.4
88.02185	1.1
89.03883	0.8
91.05465	19.6
92.05781	1.0
93.06998	2.3
94.07330	0.8
95.04929	0.8
95.08590	0.8
97.02861	1.3
98.20886	0.5
99.04427	1.2
100.07593	1.1
103.03900	1.4
103.05436	1.0
104.05310	1.3
105.03404	0.6
105.07021	0.7
105.39198	0.5
106.02878	1.1
107.04911	1.1
107.08572	0.9
109.02841	1.5
110.06009	0.7
110.07147	0.7
111.04428	0.7
116.07040	0.8
117.05440	0.6
119.04919	25.9
119.08557	4.6
120.08058	1.1
120.08871	3.1
121.06508	0.6
121.10097	1.7
123.04413	0.9
123.08131	0.6
124.03923	1.5
124.07565	1.7
125.05857	0.5
127.03893	21.6
127.08727	0.5
128.04231	9.9
129.03326	0.6
129.10187	1.8
130.05060	0.5
130.08624	1.5
131.04909	1.2
132.01128	0.8
132.02094	1.2
133.02850	0.8
133.06091	0.7
134.02664	0.6
135.08009	1.1
136.05215	0.8
136.07507	0.7
137.05936	1.6
137.09570	0.7
138.05475	1.1
138.09068	0.7
139.11125	0.9
140.07056	1.1
141.01845	0.5
143.11801	0.6
145.02817	2.0
145.04897	1.2
145.06187	0.4
147.04385	26.0
147.08023	2.1
148.08362	1.6
149.02303	1.0
149.05875	0.6
149.09581	0.9
151.03912	0.6
153.01820	0.5
157.03937	1.7
158.02650	0.8
161.05971	0.5
163.03912	0.5
164.04659	0.9
164.06989	0.5
165.08978	1.0
166.09595	0.5
167.07051	0.6
167.10606	0.7
168.06551	1.7
171.11258	0.5
175.03873	40.6
176.04303	0.7
177.05438	3.0
178.05754	1.3
179.07019	2.5
180.10193	0.5
190.08601	0.6
192.04123	0.5
207.06485	100.0
208.06754	1.5
208.09598	1.3
227.10054	0.6
230.11459	0.5
240.12885	1.2
258.13422	1.3
264.10168	1.3
267.11093	0.5
272.14764	0.7
273.12183	0.7
277.11786	0.5
303.05145	0.7
315.53854	0.5
346.51691	0.5
364.17807	0.6
434.19626	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.2
55.01851	0.8
56.05012	1.1
57.03431	0.9
60.04511	0.5
60.43321	0.4
61.01133	0.5
65.03920	1.5
67.05465	0.6
69.03401	2.0
69.07050	0.8
70.06580	6.5
70.50954	1.3
70.51279	0.5
72.08128	1.5
73.02908	0.6
74.06061	0.5
75.04471	0.5
77.03917	1.0
78.37795	0.5
79.05461	0.6
81.03385	2.2
81.07027	0.7
82.06550	0.6
83.04952	0.6
84.04485	0.9
84.08103	3.3
85.02897	3.5
86.09692	3.3
87.00817	0.4
88.02185	1.1
89.03883	0.8
91.05465	19.6
92.05781	1.0
93.06998	2.3
94.07330	0.8
95.04929	0.8
95.08590	0.8
97.02861	1.3
98.20886	0.5
99.04427	1.2
100.07593	1.1
103.03900	1.4
103.05436	1.0
104.05310	1.3
105.03404	0.6
105.07021	0.7
105.39198	0.5
106.02878	1.1
107.04911	1.1
107.08572	0.9
109.02841	1.5
110.06009	0.7
110.07147	0.7
111.04428	0.7
116.07040	0.8
117.05440	0.6
119.04919	25.9
119.08557	4.6
120.08058	1.1
120.08871	3.1
121.06508	0.6
121.10097	1.7
123.04413	0.9
123.08131	0.6
124.03923	1.5
124.07565	1.7
125.05857	0.5
127.03893	21.6
127.08727	0.5
128.04231	9.9
129.03326	0.6
129.10187	1.8
130.05060	0.5
130.08624	1.5
131.04909	1.2
132.01128	0.8
132.02094	1.2
133.02850	0.8
133.06091	0.7
134.02664	0.6
135.08009	1.1
136.05215	0.8
136.07507	0.7
137.05936	1.6
137.09570	0.7
138.05475	1.1
138.09068	0.7
139.11125	0.9
140.07056	1.1
141.01845	0.5
143.11801	0.6
145.02817	2.0
145.04897	1.2
145.06187	0.4
147.04385	26.0
147.08023	2.1
148.08362	1.6
149.02303	1.0
149.05875	0.6
149.09581	0.9
151.03912	0.6
153.01820	0.5
157.03937	1.7
158.02650	0.8
161.05971	0.5
163.03912	0.5
164.04659	0.9
164.06989	0.5
165.08978	1.0
166.09595	0.5
167.07051	0.6
167.10606	0.7
168.06551	1.7
171.11258	0.5
175.03873	40.6
176.04303	0.7
177.05438	3.0
178.05754	1.3
179.07019	2.5
180.10193	0.5
190.08601	0.6
192.04123	0.5
207.06485	100.0
208.06754	1.5
208.09598	1.3
227.10054	0.6
230.11459	0.5
240.12885	1.2
258.13422	1.3
264.10168	1.3
267.11093	0.5
272.14764	0.7
273.12183	0.7
277.11786	0.5
303.05145	0.7
315.53854	0.5
346.51691	0.5
364.17807	0.6
434.19626	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.2
55.05501	26.9
57.07060	3.3
59.04704	3.4
59.04990	59.1
67.05490	10.2
69.03407	3.6
69.07048	7.6
71.04051	5.5
71.04977	2.9
73.03555	1.7
75.04467	2.0
79.05466	11.9
81.07038	17.8
81.08910	1.5
83.04948	3.8
83.08600	4.1
85.06527	100.0
91.05459	37.5
93.07028	28.1
95.04943	5.9
95.08028	2.8
95.08589	22.1
95.72942	1.8
99.08062	4.8
103.05441	2.9
105.07008	33.8
107.08565	19.6
109.06508	10.1
109.10155	15.9
111.08053	11.5
112.99962	6.2
115.05422	4.1
117.06973	14.2
119.08557	59.1
121.06496	4.9
121.10104	22.5
122.07279	4.0
123.08034	9.1
123.11726	2.8
125.09609	20.4
128.06207	5.3
129.06955	4.4
130.07768	2.7
131.08562	16.8
133.10120	25.1
135.08035	5.4
135.11644	8.9
137.09596	24.9
141.06927	3.8
141.09009	1.9
142.07742	13.3
143.08537	19.1
144.09338	3.5
145.10089	30.1
146.10524	2.0
147.08037	6.2
147.11656	7.0
149.09583	7.3
151.11163	34.8
153.06979	2.9
155.08498	6.8
156.09308	10.1
157.10100	25.6
158.10881	2.2
159.08012	3.3
159.11687	16.4
160.08804	2.4
161.09660	5.2
161.13297	3.9
163.11160	8.2
167.08522	4.3
168.09303	4.1
169.02570	4.3
169.10106	15.0
170.10901	5.0
171.11627	13.9
172.12531	1.7
173.09532	3.1
173.13266	5.2
175.11200	3.6
177.12654	4.1
179.08482	4.9
181.10059	7.3
182.10812	2.3
183.11664	15.5
185.13220	10.1
187.11086	2.8
187.14728	2.6
189.12703	5.9
191.14156	2.4
192.09258	3.2
193.10162	5.0
194.10922	4.2
195.11607	9.2
197.13231	8.0
201.12730	2.7
203.14281	11.0
206.10802	2.1
207.06502	2.1
207.11662	8.9
209.13164	12.7
211.14684	5.0
213.12692	2.2
213.16481	2.3
215.14246	5.8
220.12410	3.1
221.13210	8.1
222.14049	2.4
223.14792	7.3
225.16415	3.0
227.14313	1.8
235.14734	6.3
235.16873	3.9
237.16449	3.0
239.14160	2.6
249.16370	4.6
255.72746	1.8
261.16360	4.8
263.17828	2.6
265.19449	3.9
275.20044	2.6
277.19415	2.4
291.21066	3.3
341.24820	5.3
433.30988	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	433.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56908	1.0
53.03933	2.0
53.17281	1.1
55.05503	9.0
57.03429	7.4
57.07057	4.0
59.00837	1.1
65.03927	1.3
67.05495	44.7
69.07055	8.9
70.04451	4.9
70.04856	2.1
71.04974	1.8
71.08612	1.9
75.04458	1.6
79.05483	30.2
81.07045	52.1
82.85995	1.1
83.08602	4.8
85.06515	2.5
91.05467	16.6
93.07030	39.5
95.04941	2.9
95.08594	40.9
96.08923	1.7
97.06525	1.9
97.10133	2.6
98.98453	100.0
99.08082	2.2
105.07021	14.3
107.07874	1.7
107.08583	26.2
109.10148	17.1
113.09601	1.6
116.99489	3.1
117.06993	4.9
119.08549	11.4
121.09322	1.8
121.10124	19.3
123.11687	8.6
131.08565	13.1
133.10107	13.2
135.11667	16.8
137.09602	1.4
137.13214	4.6
140.01089	2.3
145.10092	10.6
147.11655	7.9
149.09561	1.7
149.13252	14.4
153.12724	2.0
155.01009	27.6
155.02216	2.1
159.11714	8.8
161.13297	7.2
162.84900	1.3
163.14809	9.5
165.12686	1.4
167.14400	1.2
173.02095	13.7
173.13232	7.7
175.14828	3.9
177.16353	2.0
179.14369	1.6
187.14793	4.8
192.57886	1.3
233.22578	3.2
242.23735	1.3
243.21046	21.6
261.22104	75.9
262.22366	3.4
317.24582	7.4
335.25754	56.4
336.25977	3.5
415.22366	10.8
433.23401	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2578
Annotation	Rastevione
Peak:m/z	Relative Intensity
50.45383	1.2
53.57489	1.3
55.05491	5.3
56.50290	1.2
61.56267	1.2
65.03894	1.8
67.05490	24.4
69.07067	3.0
71.04965	2.1
71.54436	2.5
79.05466	6.8
81.07034	27.4
83.08606	6.2
84.08118	2.0
85.06516	1.9
91.05460	15.0
93.07020	7.8
95.08589	30.1
97.06509	2.3
97.10170	2.7
105.07007	4.8
107.08569	6.2
109.10139	18.6
111.08064	2.2
117.06948	1.4
119.04919	26.1
119.08557	3.3
121.10123	7.4
123.11697	7.0
131.08514	1.6
133.10092	8.4
135.11667	6.8
137.09592	2.9
137.13229	4.0
145.10080	2.9
147.04379	100.0
147.11676	1.5
148.04706	3.4
149.13240	4.0
151.11169	5.9
159.11679	2.9
165.05438	27.0
169.12161	1.8
173.13217	1.4
182.54857	1.4
184.07272	1.9
187.14836	1.8
195.13803	3.0
207.06596	2.9
215.17941	12.7
218.43608	1.3
233.19011	7.5
247.44235	1.3
251.20000	20.2
283.66132	1.4
287.05511	5.2
433.37070	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	433.2344
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
51.28728	1.0
53.03931	1.7
55.05505	8.8
57.03436	7.3
57.07051	2.3
67.05496	39.3
69.07065	8.3
70.57962	1.0
71.08624	2.6
75.04459	1.0
79.05479	22.6
81.07045	41.1
81.07530	2.5
83.08591	4.1
85.06544	1.3
89.05989	1.3
89.80781	1.0
91.05474	12.7
93.07028	28.8
95.04961	1.7
95.08595	34.7
97.06528	2.0
98.20713	1.9
98.98454	55.4
99.08080	1.8
105.07002	9.5
107.07879	1.5
107.08580	21.4
109.10149	17.2
116.99467	1.8
117.07018	4.6
119.08578	7.9
119.78262	1.2
121.10124	15.9
123.11677	6.3
131.08559	8.9
133.10132	6.3
135.11676	12.0
137.13217	1.8
143.08495	1.4
145.10097	8.2
147.11639	6.0
149.13251	9.6
155.01009	8.8
159.11684	6.1
161.13235	4.6
163.14786	4.0
165.12862	1.0
166.16335	1.0
173.02112	10.1
173.13243	4.5
175.14847	2.8
177.16386	1.3
179.14290	1.5
187.14827	2.9
215.17926	1.2
243.21042	11.3
261.22073	37.6
279.23077	1.5
291.23141	1.2
317.24783	5.2
335.25745	100.0
336.25980	3.8
415.22501	4.2
456.33023	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.5
53.03934	5.1
55.01863	48.7
55.05497	4.7
56.05014	1.4
57.03427	35.6
58.99557	1.2
60.04512	1.2
61.02906	3.7
67.05493	4.0
68.99758	1.0
69.03419	10.5
69.07041	3.2
69.37955	8.0
70.06583	8.0
70.26575	0.9
71.01340	14.0
71.04975	3.6
72.08137	6.1
73.02906	40.7
74.06044	2.0
74.12948	0.9
74.39722	0.9
75.04462	6.0
79.05460	3.9
81.03400	3.3
81.07047	8.1
82.70473	1.1
83.01311	1.6
83.04955	4.5
83.08626	2.4
84.04470	1.1
84.08128	6.0
85.02894	45.6
86.09686	7.7
87.00800	1.3
87.04457	1.1
87.05569	1.0
88.02198	9.2
89.02473	1.5
89.06018	2.3
91.05467	24.9
93.05504	4.1
93.07026	62.3
95.01295	5.3
95.04955	10.9
95.08582	4.5
97.02874	24.3
97.06548	1.3
99.00812	7.2
99.04437	11.6
100.07590	1.8
101.02368	3.9
103.03914	7.0
103.05462	1.2
105.04517	2.5
105.07001	3.2
107.04929	2.6
107.08579	7.4
109.02843	1.5
109.06500	2.5
109.10129	2.5
110.07161	2.8
111.04436	3.3
111.08067	17.8
113.02346	19.4
115.03931	1.8
117.01794	1.1
117.03352	1.8
119.04924	1.3
119.08541	4.2
120.08058	2.1
121.06488	2.1
121.10126	7.7
122.05990	1.4
123.04403	2.5
123.08002	1.6
123.11697	12.8
124.07574	1.9
125.05969	5.7
125.09647	0.9
127.03909	3.7
128.06062	1.4
128.06990	1.1
129.05457	100.0
129.10199	2.0
130.05785	2.1
130.08640	2.2
131.03378	11.8
133.08569	1.9
134.02702	5.2
135.02977	1.6
135.08098	5.4
136.07478	1.4
137.02312	8.6
137.05919	3.9
137.09576	3.5
137.13234	3.9
138.09126	1.1
139.03903	1.6
141.01791	21.2
141.05421	1.3
145.02823	5.7
145.04948	4.2
146.03165	2.1
147.04410	1.7
147.06544	1.0
147.08025	2.6
147.11603	2.1
149.05963	3.1
151.03897	1.9
153.05420	6.7
154.06219	2.3
157.04935	1.8
159.02834	7.5
159.06490	1.4
161.05943	2.7
164.07056	1.1
165.07253	1.2
165.09106	4.4
165.12727	3.1
167.07072	2.5
167.10620	1.7
169.04951	2.8
170.05798	1.4
171.06500	37.5
173.13203	1.0
174.05344	1.5
177.05428	14.3
178.05775	9.3
179.06966	1.0
181.04951	2.1
183.13800	5.2
185.08073	13.0
187.05916	1.6
187.11165	1.2
192.06186	2.6
197.04463	3.2
198.08337	1.2
205.09894	1.1
207.06503	1.6
209.08153	1.1
213.07533	7.6
215.05437	5.3
239.12733	1.4
241.06982	2.2
245.06396	1.6
257.17465	3.4
259.08115	2.0
269.06512	7.9
271.10001	1.3
287.07697	9.0
305.08624	83.5
306.09116	2.6
327.08755	1.4
403.14020	1.4
415.10123	2.4
415.15213	1.6
416.25403	1.1
433.11194	7.0
433.16296	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	433.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	4.3
55.01866	49.1
55.05496	6.4
56.05005	2.2
57.03159	1.7
57.03429	31.4
61.02922	3.6
61.89268	1.8
63.22028	1.6
67.05487	6.7
69.03426	13.1
69.07050	6.8
70.06589	13.8
71.01345	12.9
71.05002	2.1
71.52223	2.8
72.08142	13.0
73.02911	39.2
75.04458	5.5
79.05467	5.6
81.03390	4.6
81.07055	17.0
83.04949	4.2
83.08556	2.8
84.04496	3.0
84.08130	6.8
85.02892	43.4
86.09681	12.1
87.00821	2.1
87.04420	2.1
88.02193	5.0
91.05454	26.1
93.05493	3.4
93.07029	60.4
95.01308	8.6
95.04968	14.1
95.08572	6.9
97.02878	26.8
97.06532	2.4
99.00806	5.8
99.04445	11.8
100.07599	5.0
101.02353	5.2
103.03928	6.1
103.05435	2.8
105.07018	7.8
107.04938	3.1
107.08602	11.4
109.02872	3.8
109.06521	4.6
109.10129	4.6
110.07139	5.7
111.04367	3.2
111.08066	23.0
113.02345	22.4
114.96383	1.8
115.03902	2.6
115.06910	2.1
116.07059	2.5
117.06966	3.5
119.08546	6.6
120.08077	5.0
121.06453	3.7
121.10124	20.0
123.04402	5.2
123.11683	43.1
125.05968	7.8
127.03893	6.5
129.05461	100.0
129.10202	2.0
130.08588	3.2
130.67412	1.9
130.88353	1.8
131.03395	11.2
131.04893	3.8
131.08542	2.3
133.10077	1.9
134.02686	4.4
135.08011	4.4
136.07578	2.9
137.02310	11.3
137.05946	7.5
137.09573	5.5
137.13200	7.4
139.03923	2.6
141.01799	24.8
141.48286	1.8
145.02821	2.8
145.04945	5.9
146.03174	2.6
147.04396	4.5
147.08058	2.7
147.11661	6.8
149.05974	1.9
149.09544	3.1
151.07510	2.6
153.05399	9.6
154.06195	4.5
159.02963	10.2
161.05974	2.4
161.09630	2.1
165.07021	2.0
165.09090	6.8
165.12703	11.2
167.06935	4.7
167.10663	3.3
169.04929	4.0
171.06497	36.7
173.13136	2.4
177.05411	11.2
178.05850	4.3
181.04922	4.5
183.13773	18.3
185.08066	26.4
187.05931	3.2
192.06287	3.7
213.07448	4.3
215.05467	7.9
233.06409	2.0
239.12726	3.4
241.07025	2.7
257.13647	2.6
257.17429	12.7
259.08243	3.5
269.06497	8.2
287.07550	7.4
301.07278	2.1
305.08606	75.6
327.08499	2.7
389.12320	3.4
408.19867	2.0
433.11191	13.6
433.16156	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96232	1.0
52.68098	0.9
53.03941	9.8
55.01852	2.8
55.05507	1.3
57.03429	7.0
67.05497	3.0
69.03421	3.5
69.56020	3.0
69.56427	3.4
70.06585	1.6
71.04972	1.6
72.08144	1.7
73.02899	3.2
75.04463	2.8
75.42558	1.0
79.05483	5.4
81.03405	15.3
81.03861	1.7
81.07041	2.1
84.08122	4.7
85.02897	9.3
86.09704	2.8
91.05468	30.8
93.05505	8.2
93.07027	20.3
95.01322	3.5
95.04980	1.8
95.08609	7.6
97.02878	3.9
99.04431	3.5
101.02368	1.1
103.03946	5.9
103.05450	1.5
105.07023	5.7
107.04963	1.2
107.08598	3.0
109.02848	5.0
109.06490	2.3
109.10153	1.8
111.04436	1.7
113.02340	2.4
117.07001	8.8
119.04931	3.5
119.08562	100.0
120.08922	1.6
121.06500	0.9
121.10123	3.0
123.04427	1.5
123.08029	1.0
127.03896	81.7
128.04169	1.5
129.06970	3.0
129.10217	2.2
130.08632	1.2
135.08009	9.4
137.02399	1.2
137.05901	1.9
137.09578	6.3
141.01790	8.3
145.04973	3.1
147.04398	3.7
147.08025	41.8
155.07040	2.5
155.14293	1.1
159.02966	1.2
165.09097	24.0
167.06960	1.1
173.15353	1.2
175.03893	5.0
177.05449	1.5
183.10115	2.5
207.06471	10.7
221.11650	3.2
239.12744	16.5
239.14923	1.7
240.82121	1.0
257.13959	2.3
307.45953	1.0
347.37750	1.0
397.14868	1.0
432.69244	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1335
Annotation	Tachiogroside B
Peak:m/z	Relative Intensity
51.85894	0.2
51.86137	0.2
53.03930	0.6
55.01825	0.2
57.03413	0.5
58.65435	0.2
61.02916	0.4
67.28902	0.2
69.03146	0.1
69.03423	1.8
71.04963	0.5
71.43831	0.2
71.94573	0.1
72.23261	0.2
73.02893	0.6
73.91515	0.1
74.00764	0.1
76.36417	0.2
81.03404	2.4
83.02475	0.2
83.04980	0.2
85.02892	5.6
86.09703	0.4
94.04954	0.2
94.05650	0.2
97.02876	4.0
99.03839	0.3
99.04440	4.1
99.44440	0.2
100.37292	0.2
103.03934	4.4
107.54842	0.2
109.02136	0.2
109.02856	2.9
115.03903	0.3
127.03896	100.0
128.04222	0.8
145.04932	4.4
163.05984	0.9
169.04919	0.2
181.04935	0.2
187.05977	1.2
199.05887	0.2
257.21646	0.2
271.08121	0.7
281.17590	0.2
289.09195	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1485
Annotation	2-(3,4,5-Trimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
50.82154	0.4
55.01810	0.4
55.05449	0.5
57.61532	0.4
67.05441	0.7
69.86133	1.1
69.86564	1.1
81.06953	0.7
90.29332	0.4
91.05420	0.5
93.06951	0.5
97.10085	0.4
98.20808	0.5
105.06946	0.5
108.91214	0.3
117.06933	0.4
119.08536	0.3
121.10003	0.5
127.03792	1.0
129.06941	0.4
134.92986	0.4
135.04276	0.6
138.06606	0.4
151.07362	0.5
165.05449	6.2
169.09743	0.4
171.07832	0.4
175.07358	0.8
177.05409	0.6
178.06108	1.2
178.07967	0.3
183.02884	2.8
189.30284	0.4
211.02238	1.6
229.03235	0.8
255.06627	0.7
261.07623	0.6
271.06015	0.9
273.07513	0.4
283.05933	0.7
285.07373	0.6
286.08334	0.7
287.05368	1.4
287.08405	0.4
288.06067	0.4
289.06927	2.1
296.06543	0.4
299.05621	2.4
299.08725	0.6
301.06857	0.6
302.04083	0.4
311.05392	2.0
313.03583	0.4
314.04251	0.6
314.07727	1.0
317.06525	3.5
324.06219	0.5
325.07068	0.8
327.04929	3.1
329.06525	1.5
329.09927	0.8
330.03430	0.5
331.08090	1.0
332.08649	0.7
339.04922	2.7
341.02731	1.0
341.06552	1.2
342.07162	1.6
343.08005	0.5
345.05954	7.6
345.09879	0.6
346.06290	0.7
353.06580	0.4
354.07257	1.1
355.04138	0.7
357.06049	2.0
357.09753	2.1
359.07538	2.4
360.08325	3.0
369.06009	0.6
370.06616	1.5
371.07480	0.5
373.05426	4.2
375.10696	2.2
385.09149	6.7
387.06949	3.9
387.11209	0.5
388.07724	4.2
399.10712	1.4
403.10168	72.9
404.10529	4.6
417.11746	4.0
418.12521	7.0
419.12646	0.5
433.14883	100.0
434.15268	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	433.1123
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
53.03930	0.2
53.22886	0.2
55.05491	0.3
57.03426	3.6
59.04983	0.3
61.02914	0.2
67.05494	0.2
68.99804	0.5
69.03413	0.3
69.85236	0.9
71.01339	0.2
71.04977	26.3
73.02889	0.3
75.04476	0.5
83.04971	0.6
84.04459	0.2
85.02887	25.4
86.09686	0.5
87.04449	0.6
105.03371	0.4
106.53951	0.2
107.04933	0.4
111.00783	0.7
111.04410	0.4
111.08128	0.2
121.02828	2.3
129.05452	7.2
133.02820	0.4
137.02327	0.4
147.04379	0.4
147.06474	1.0
153.01794	2.9
153.02971	0.2
157.06459	0.4
161.05952	0.2
165.01799	1.5
183.02841	0.7
185.06026	0.4
213.05455	1.2
216.04250	0.2
223.51884	0.2
231.06509	0.6
241.04749	0.8
258.05200	0.9
259.05951	0.4
269.04553	0.3
287.05432	100.0
288.05774	3.5
298.69382	0.2
329.06406	0.4
351.51047	0.2
379.08060	0.3
397.08633	0.2
409.85089	0.2
433.10867	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1122
Annotation	Isovitexin
Peak:m/z	Relative Intensity
53.03948	0.8
55.01847	2.3
55.05489	1.6
57.03410	2.0
61.02903	1.0
67.05489	4.6
68.99781	0.8
69.03403	2.3
69.07040	1.7
69.88915	3.6
70.06564	2.2
71.01321	1.0
71.04978	1.2
72.08115	1.1
73.02888	2.9
74.09715	0.7
75.80694	0.7
79.05457	1.9
81.03402	2.1
81.07047	3.4
82.87994	0.7
83.04949	0.8
83.08582	0.9
84.08132	5.1
85.02887	7.8
85.06516	1.5
86.09673	3.1
91.05461	2.7
93.07024	3.1
95.04957	2.2
95.08572	2.6
97.02876	2.1
97.06547	0.8
99.04432	1.5
103.03883	0.9
103.05411	1.0
105.07013	1.1
107.04954	1.2
107.08556	2.4
109.02845	2.8
109.06499	1.1
109.10128	6.3
110.07153	0.8
111.08104	0.9
113.02373	1.6
119.04915	2.6
119.08580	0.8
120.08099	0.6
121.02834	8.7
121.06494	1.1
121.10113	2.2
123.08049	1.3
123.11682	0.7
125.09634	0.9
127.03903	1.7
129.05447	1.0
129.10220	1.2
130.08617	0.8
131.08598	0.8
137.05919	2.0
137.09590	10.3
141.01805	2.6
145.02809	3.1
145.06520	0.6
145.10098	1.0
147.04340	1.0
148.11972	0.7
149.02312	2.3
149.09627	1.5
149.13159	0.7
151.07602	0.9
161.05971	0.8
161.09659	0.7
163.03870	2.8
165.01797	10.8
165.09068	9.6
167.03343	3.3
167.07014	1.5
167.10571	1.3
173.13246	0.9
177.01747	1.2
177.05455	0.8
179.03307	0.7
181.04901	1.6
183.02876	3.8
183.10121	1.0
185.11679	2.4
185.15337	2.0
187.03828	1.5
191.03418	1.8
191.14285	0.8
195.02858	1.7
201.11113	0.9
203.03343	0.7
205.04898	0.9
211.07430	0.8
213.05367	0.8
217.04883	1.1
229.04886	1.8
235.12982	0.6
239.07089	1.6
239.12595	0.7
255.06389	1.3
256.07047	0.8
257.13721	2.8
261.03870	0.8
267.06512	6.7
270.05157	3.0
271.05936	6.6
279.06451	1.8
281.07971	6.5
283.05948	100.0
284.06665	14.4
287.05469	2.8
295.05969	10.4
295.09583	2.7
297.07492	5.4
305.07977	3.0
307.05902	2.2
308.06686	1.8
309.03873	1.9
309.07452	19.2
310.07678	1.2
311.05490	1.2
313.06989	73.7
314.07263	2.6
321.07501	1.8
323.05734	0.9
323.09042	16.3
325.07034	1.1
326.41031	0.8
333.07361	3.6
337.06998	36.4
338.07230	1.9
343.08115	1.6
349.06979	10.0
351.08459	3.4
361.06931	7.7
367.08047	24.5
368.08243	0.8
373.51913	0.7
379.08078	18.0
380.08362	0.9
397.09109	23.9
398.09473	1.2
415.10156	22.5
415.15634	1.4
416.10248	0.9
433.11209	18.8
433.16351	2.4
433.32239	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04342	0.7
53.03926	0.8
55.01858	1.0
57.03416	1.6
59.04990	6.5
60.48607	0.5
61.02910	1.1
67.05483	0.6
67.99181	0.5
69.03419	4.0
70.06584	0.7
70.80273	1.5
71.04995	0.8
72.08129	1.6
73.02881	0.6
81.03406	3.6
82.91507	0.6
83.04970	0.5
84.04498	0.8
84.08125	1.0
85.02374	0.7
85.02892	13.0
86.09687	1.2
87.04443	1.1
88.02162	1.0
89.06017	67.1
90.04237	0.5
90.06319	0.6
91.05452	2.1
93.05539	0.6
93.07014	2.0
96.00836	1.1
97.02877	4.0
99.04423	4.1
99.76487	0.5
103.03915	4.0
103.05431	0.6
103.07574	1.5
105.07006	0.9
107.07043	4.8
109.02858	2.0
116.07069	0.6
117.03339	1.9
117.07047	0.6
118.03723	0.8
119.08563	5.4
123.19506	0.6
126.05511	0.8
127.03885	23.4
127.05001	19.9
130.08566	1.0
132.64830	0.6
133.08586	22.4
134.02710	0.6
141.01776	0.7
145.02831	5.2
145.04901	3.7
145.12372	0.5
146.03154	3.3
147.08043	1.7
147.10109	0.8
149.05966	1.0
151.09616	4.9
151.41885	0.5
163.05991	1.3
164.07045	0.8
165.09114	1.3
169.06094	1.2
177.05447	10.6
177.11174	6.2
178.05789	7.0
187.05969	0.8
195.12253	40.9
196.12646	0.6
227.09113	0.6
239.12872	1.0
253.16423	100.0
254.16629	2.5
270.04117	0.9
271.09167	1.3
289.10181	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3723
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18775	5.2
55.05507	37.3
57.03425	9.3
57.07068	37.6
67.05490	21.2
68.60827	5.2
69.07056	65.5
70.21304	24.6
71.05025	5.8
71.08626	33.5
79.05486	18.8
81.07051	38.7
83.08612	40.2
83.78391	5.3
85.10140	25.2
93.07029	15.6
95.08613	31.4
97.06500	6.9
97.10141	27.5
107.08560	21.1
109.10138	16.3
111.11691	7.8
121.10129	14.5
122.47795	6.0
123.11716	7.4
125.09623	6.5
135.11674	10.0
139.11168	6.8
141.87660	4.9
145.09993	5.8
149.13194	12.3
153.12691	8.2
157.12062	5.4
163.14746	8.9
167.14293	9.2
169.02570	5.8
179.85585	5.8
303.30353	8.1
321.31564	17.3
395.35226	12.8
403.62189	5.8
413.36249	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26391	0.3
57.98794	0.3
58.99575	4.3
61.01138	1.4
63.02386	0.3
67.05470	0.4
69.03434	0.4
69.07057	0.5
69.43395	2.9
70.06583	2.8
72.08138	1.2
74.09688	0.6
76.02212	0.8
79.05494	0.7
81.03428	0.4
81.07042	0.4
84.04469	1.5
84.08118	1.0
85.02874	0.6
86.09689	7.3
86.99030	1.9
87.04455	1.7
87.10025	1.0
88.02200	60.3
88.03979	1.2
89.00595	0.4
89.02573	0.4
89.03896	4.3
89.06015	20.7
91.05472	1.1
93.07026	0.5
95.04951	0.5
97.02871	0.6
98.20763	0.7
100.07610	0.5
102.05544	0.6
103.03850	0.5
103.05444	0.6
105.00079	0.9
105.03332	0.5
105.07012	0.5
106.03209	0.5
107.07034	0.4
107.08572	0.3
108.35187	0.3
110.07170	0.4
117.00066	0.9
117.03355	16.6
120.08066	0.7
121.10108	1.1
122.02701	0.8
124.03938	0.4
130.08615	0.6
131.04912	1.0
131.07034	0.4
133.08583	13.0
133.10100	0.6
134.02690	39.3
134.03435	1.4
135.04391	1.3
136.07513	0.4
143.08521	0.4
145.02820	40.4
147.04341	0.6
147.08014	0.4
149.05945	5.4
163.03879	0.4
166.08679	0.4
167.07076	0.4
177.05437	100.0
177.11171	4.6
178.05769	1.7
185.16449	0.7
186.05470	1.3
189.05418	1.2
189.12331	0.9
197.08089	0.6
197.12935	0.4
203.07133	0.4
207.06532	0.5
215.13896	1.1
221.08075	0.4
221.13844	0.9
235.09647	0.5
243.13292	0.7
244.13680	0.4
244.74178	0.4
270.07941	0.5
282.13403	0.4
283.17197	0.4
311.92374	0.3
327.20297	0.4
371.22720	0.7
415.25217	6.1
433.11221	0.4
452.38046	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65369	0.5
53.03914	1.4
55.01862	2.8
55.05494	2.7
56.05021	0.6
57.03410	2.6
59.04708	0.8
59.04988	11.5
60.05312	2.1
61.02888	1.2
67.05490	5.6
68.99776	1.0
69.03072	0.9
69.03413	10.7
69.07055	9.6
70.06580	4.5
71.04969	2.6
71.53054	1.1
72.08143	3.6
73.02893	1.9
79.05486	5.1
81.03405	6.4
81.07040	20.3
81.07516	1.1
83.04951	3.7
83.08601	1.6
84.04465	0.9
84.08110	2.6
85.02888	13.0
85.06511	5.4
86.06055	1.1
86.09291	0.7
86.09691	7.3
87.00797	3.3
87.04436	3.3
88.02171	1.1
88.04753	0.9
89.06025	6.7
90.06347	1.6
91.05453	7.7
93.07026	8.4
95.04935	2.8
95.08588	7.6
97.02873	5.3
97.06521	3.3
97.07053	0.6
98.92790	0.6
99.04433	5.1
99.08074	10.8
100.07558	0.8
103.03927	9.6
103.05407	1.1
103.07565	1.0
104.04249	2.1
105.01810	2.3
105.07011	6.3
107.04903	3.2
107.08578	6.9
109.02864	5.0
109.06497	5.5
109.09469	0.6
109.10109	3.9
110.07150	0.8
111.04406	1.2
111.08019	1.5
113.05979	1.3
115.03972	0.6
115.07558	0.6
116.10721	1.6
117.03342	0.9
117.05450	4.5
117.06969	1.6
118.05781	1.5
119.08549	7.1
120.08067	1.0
121.06490	1.4
121.10130	10.6
122.05984	1.4
122.09624	0.6
123.08039	2.5
123.11686	4.5
124.07558	1.2
125.09620	8.6
127.03895	8.0
127.07506	2.7
129.05492	0.7
129.06979	1.1
130.08647	0.5
131.04872	0.9
131.07021	1.3
131.08540	2.2
132.07320	0.7
132.10172	0.7
133.08577	3.0
133.10081	2.2
134.08881	1.9
135.08038	4.7
135.11642	1.6
136.02151	0.6
136.07545	3.7
136.08424	0.6
136.74438	0.5
137.05943	2.0
137.09581	3.1
137.13206	1.7
139.11177	7.1
140.06969	0.7
141.09029	0.8
143.08517	1.0
143.11771	1.1
145.02811	2.1
145.04913	2.3
145.10071	2.1
147.02907	0.6
147.07996	2.3
147.11636	2.6
149.09656	1.3
151.03979	0.7
151.11110	0.8
152.07053	1.9
153.05501	0.7
153.09056	1.2
154.03125	0.9
157.10054	0.8
159.02881	1.7
159.11604	1.3
161.09637	1.0
161.13231	1.6
163.07521	1.3
163.11140	1.4
164.07040	3.7
165.09079	2.7
165.12732	7.4
167.06972	3.0
173.09560	0.7
175.11130	0.8
175.14804	1.2
177.05421	3.0
177.11153	1.0
178.05820	1.2
178.11475	0.8
181.04961	0.9
181.08496	0.7
183.13773	100.0
184.14165	3.2
185.13184	1.6
187.14992	0.7
189.09122	0.9
191.10672	0.9
203.14250	2.1
204.06567	1.4
207.06464	0.7
209.15309	0.7
219.10103	0.7
221.15411	0.7
231.05023	1.1
239.14537	0.6
240.15083	0.8
243.15982	0.7
250.06252	0.6
287.13901	0.8
297.15375	1.5
298.15662	3.6
303.04849	0.8
308.11237	0.9
356.19861	1.2
399.11932	0.9
413.08481	1.0
414.24017	3.1
431.05777	1.5
431.18442	2.6
431.23514	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	431.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.6
55.05488	2.6
57.03408	0.8
67.05485	3.9
69.03412	2.6
69.07034	2.5
70.06577	1.8
71.55256	1.1
71.55600	0.9
73.02886	1.8
74.02433	4.1
79.05471	3.7
81.03397	1.4
81.07031	7.5
82.06558	1.0
83.04948	2.4
83.55797	0.8
84.08121	3.2
85.02882	2.3
85.06513	1.3
86.09689	1.2
87.04443	2.8
88.03944	1.3
91.05468	3.0
93.07033	8.6
95.04958	2.6
95.08601	5.0
96.67100	0.7
97.02869	2.6
97.06503	1.1
98.09698	0.9
103.05465	0.9
105.06992	3.6
107.08601	4.1
109.10134	3.1
111.04391	1.2
115.05402	0.9
117.06985	1.6
117.24944	0.7
118.06519	4.3
119.08553	3.6
120.08058	1.1
121.10114	6.7
123.11639	1.1
127.03848	0.9
128.06140	0.9
130.06512	10.0
130.08609	3.5
131.04900	1.2
131.08517	2.0
132.04369	1.1
132.08057	3.9
133.10088	2.0
135.08029	1.5
135.11653	1.1
136.07556	2.8
137.05949	1.9
137.09517	0.9
139.03871	7.0
143.07248	1.3
143.08478	1.4
144.08057	3.5
145.10098	1.1
146.05980	16.0
147.11636	1.9
148.07512	1.0
149.09595	3.1
149.13120	1.1
150.12790	1.0
154.06468	3.2
155.07283	1.3
156.08063	1.9
157.07576	14.1
157.10088	1.1
158.05989	8.3
158.08333	3.9
158.09619	8.9
159.09160	2.7
159.11638	1.5
160.07542	3.9
160.11197	7.2
163.07416	1.0
163.11176	1.3
164.06992	1.3
165.09073	1.1
167.07217	5.7
167.10663	1.5
168.08051	5.5
169.07570	11.8
169.08824	1.6
170.08324	7.4
170.09657	2.4
171.09129	4.2
171.11740	1.1
172.11134	2.1
174.12747	4.7
175.08653	1.0
181.08583	7.2
182.08377	3.4
183.06815	1.9
183.09100	2.3
183.11635	0.9
184.09845	1.2
184.11209	15.1
185.07077	1.5
186.07762	1.4
186.09151	10.9
188.07039	3.2
188.10658	8.3
194.09593	2.2
195.10303	1.2
196.11212	11.6
200.09346	1.3
201.13818	1.9
202.12259	6.5
203.08087	22.5
211.12238	13.8
212.10660	9.4
212.12956	2.9
213.13817	22.4
214.12219	1.2
214.14171	1.1
215.08093	1.7
224.18878	0.8
229.13274	21.8
230.13684	1.5
231.14961	2.4
239.11777	2.1
240.10095	1.9
242.10417	1.0
257.12817	28.3
269.17383	1.9
275.13840	100.0
276.14200	2.9
281.13705	1.1
283.14285	1.1
299.14819	1.1
300.22382	1.0
367.16452	1.9
383.15967	16.5
384.16437	1.4
385.17273	1.0
395.16190	5.5
413.16971	52.7
414.17255	3.8
431.18057	17.5
431.27289	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	430.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.6
56.75354	0.3
57.07067	2.6
62.95565	0.4
66.50991	0.3
67.05499	2.1
67.05779	0.4
69.07037	0.5
69.86921	0.9
69.87327	1.8
71.08614	1.4
79.05480	0.5
81.07027	1.6
82.07352	0.4
83.04971	0.4
83.08582	0.4
84.10285	0.4
85.10151	0.9
90.84635	0.3
91.05439	0.9
93.07017	1.7
95.08572	1.7
105.07011	0.6
107.08552	0.9
108.08811	0.5
109.10145	4.5
110.10415	0.4
119.08559	2.8
121.06483	9.0
121.10161	0.7
122.07244	0.8
123.08006	0.4
128.60675	0.4
135.08008	1.5
136.08820	11.0
136.27878	0.3
137.09612	11.4
138.09930	0.7
138.37578	0.3
145.10013	0.4
149.05945	0.7
149.09575	2.3
150.09946	0.8
152.08218	1.2
159.11688	0.5
163.11151	2.7
164.08318	24.5
164.11462	1.5
165.09087	88.8
166.09419	9.0
175.11070	0.6
176.11499	0.5
177.09094	2.5
177.12712	0.8
178.09546	1.2
179.10619	0.4
184.91502	0.4
187.11131	0.8
188.11621	0.4
190.09888	0.9
191.10658	2.6
192.10973	0.9
205.12234	6.5
205.14171	0.5
206.12524	1.1
219.13759	0.8
220.14096	0.4
225.69145	0.4
234.15839	0.6
346.28143	0.4
404.75278	0.4
412.36569	0.9
430.37949	100.0
431.38293	6.0
439.96167	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.4
55.01867	3.5
55.05507	1.7
56.05031	1.2
57.03428	7.7
57.21765	0.6
58.03774	0.6
59.04990	100.0
60.04528	0.5
61.02917	1.4
62.06097	0.5
65.06160	0.6
67.05493	2.5
68.99797	0.9
69.03416	11.3
69.03771	1.0
69.07056	3.0
70.03754	2.1
70.06587	11.7
70.07306	2.3
71.04977	2.7
72.08132	4.6
73.02905	2.9
74.06067	0.8
76.56869	0.6
79.05472	2.8
80.05774	0.6
81.03403	9.2
81.07040	3.7
82.03748	1.7
82.06559	0.7
83.04966	2.7
84.04479	1.6
84.08130	5.4
85.02892	25.4
85.06564	1.2
86.03201	3.5
86.06053	1.1
86.09697	12.2
87.00823	5.9
87.04454	10.3
88.01131	1.3
88.02197	1.0
88.03967	1.2
89.06007	1.8
91.03935	0.9
91.05429	3.5
92.05830	0.7
93.07030	5.9
94.07375	1.1
95.04952	6.9
95.08600	1.8
96.05287	1.8
97.02868	8.4
97.06528	2.5
98.03215	2.3
99.04449	6.3
99.08077	2.4
100.04787	1.3
100.07635	0.9
101.05962	0.6
102.05534	0.8
103.03916	2.0
105.01847	4.9
105.07027	4.5
106.02180	0.9
106.07353	1.4
107.04934	1.4
107.08575	5.6
108.08921	2.1
109.02856	7.9
109.06496	2.1
109.10129	1.2
110.03193	2.7
110.07191	0.7
115.03898	0.7
116.07078	1.1
117.01850	1.0
117.06993	2.0
117.09116	24.4
119.08559	4.2
120.08091	2.2
120.08894	1.1
121.06497	1.8
121.10133	4.1
122.06844	0.7
122.10451	2.3
123.04395	0.9
123.08055	1.4
124.07571	3.1
125.05968	0.9
127.03892	17.2
128.04236	4.7
129.06985	0.7
129.10196	1.0
130.07771	1.0
130.08621	0.8
131.07028	1.9
133.06528	0.9
133.08630	0.9
133.10094	1.3
135.08070	1.2
135.10130	2.7
135.11668	2.5
136.07513	1.5
136.12044	1.4
137.05942	4.7
138.06316	1.6
140.06990	1.0
142.08627	3.2
143.08589	0.9
143.11780	1.3
145.04939	7.5
145.10063	4.1
146.05266	1.2
146.10510	2.7
147.02887	0.9
147.04362	0.8
147.08000	2.1
147.11691	1.1
148.08411	0.7
149.05951	1.6
149.09618	1.0
157.13284	0.8
159.02864	4.1
160.03207	1.7
161.05997	1.0
161.09590	0.9
163.03932	0.7
163.11169	21.7
164.06969	0.7
164.11508	21.5
165.09111	1.2
165.12804	0.7
167.07045	2.2
170.05934	0.7
171.11232	1.1
175.03864	0.6
175.09712	1.2
175.13292	6.8
175.14789	0.8
177.05447	2.8
179.06981	1.6
180.07358	1.7
181.12097	0.9
182.12549	0.8
183.14905	0.7
184.09660	1.5
187.10912	0.6
189.03929	1.1
191.14418	0.6
193.14337	1.7
201.12372	0.7
203.30223	0.6
205.12218	0.8
206.12607	1.3
207.06497	0.9
219.12115	1.1
223.13264	1.6
224.13634	1.8
231.04932	2.0
232.05399	1.3
233.17393	1.5
247.27312	0.6
250.10585	1.2
251.18501	76.2
252.18990	2.9
263.14905	0.8
264.08673	0.9
265.08646	0.8
268.15366	1.2
272.13510	0.8
297.11227	1.1
315.04974	0.7
315.12189	1.6
343.13388	0.6
376.14575	0.7
394.15894	1.0
412.17050	1.0
430.14902	2.1
430.24164	1.0
431.14505	0.8
431.23727	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01616	0.8
55.01860	11.0
55.05489	1.1
57.03424	3.3
58.53939	0.5
59.04989	10.2
61.02923	0.6
67.05481	2.1
69.03414	1.9
69.07051	1.8
70.06583	3.9
71.04961	0.9
71.55411	0.9
72.08123	1.2
73.02901	32.1
73.06513	0.6
79.05476	3.5
81.03400	1.6
81.07044	3.0
83.04943	0.7
83.08607	0.7
84.08123	1.2
85.02873	2.5
85.06516	1.3
86.09690	12.1
87.04453	7.4
88.02205	0.8
89.06013	49.3
91.05454	3.0
92.05773	0.6
93.07022	4.0
94.07368	0.7
95.04933	0.7
95.08579	2.0
97.02886	1.4
99.04434	100.0
100.04784	1.6
100.07627	0.6
101.06004	1.9
103.03916	13.3
103.07568	2.1
105.07008	2.1
107.07023	1.3
107.08567	3.2
109.02830	0.9
109.06506	0.9
109.10162	0.8
111.08067	1.3
113.00997	0.7
113.05990	4.1
116.65071	0.6
117.05468	57.1
119.08572	1.9
120.08058	1.1
121.10138	2.3
122.06030	0.8
123.08044	1.1
125.09624	1.0
127.03884	1.7
129.01828	0.6
129.05473	1.0
131.07042	6.2
131.08551	0.7
133.08577	22.6
135.08047	2.2
135.11699	0.7
136.07553	0.8
139.11111	0.7
140.07019	1.3
143.07057	0.8
145.02837	1.6
146.02597	0.7
147.04317	0.6
147.06525	0.7
147.08055	0.7
147.10135	1.4
147.11597	0.8
153.09091	2.1
157.08601	5.0
159.06453	1.1
161.08067	7.3
164.07123	1.0
167.07071	1.0
171.11382	0.7
175.09637	3.9
175.14810	0.8
177.05482	2.4
177.11182	12.6
183.13765	4.0
185.13118	1.0
187.09692	0.8
191.09149	1.2
195.12268	1.7
203.09068	1.4
203.14407	0.8
205.10715	2.8
206.04889	1.3
206.08202	0.8
219.12233	1.4
221.13786	1.2
239.14790	1.3
242.14949	0.7
249.13290	7.4
251.87807	0.6
265.16357	0.7
266.50562	0.6
267.00833	0.5
269.15887	0.8
283.17459	11.3
297.15332	3.9
337.18539	1.2
355.19547	1.7
395.22586	5.7
413.23758	8.5
414.51062	0.6
430.26065	1.3
449.81131	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.5
55.01854	8.4
55.05494	5.0
56.05030	5.1
57.03427	14.0
57.07058	7.6
59.04989	16.1
61.02920	15.9
63.04470	9.9
67.05477	7.7
67.61234	1.7
69.03421	26.2
69.07047	8.3
70.06583	39.7
70.55218	1.5
71.01340	3.6
71.04980	6.9
71.51556	2.8
72.08132	7.6
73.02904	65.7
74.06064	1.8
74.39864	1.8
79.05483	4.1
80.67684	1.7
81.03416	11.4
81.07041	7.0
82.06564	2.8
83.06084	17.2
84.04490	20.9
84.08136	16.0
85.02888	63.0
85.06517	2.3
86.03217	1.9
86.09691	100.0
87.04456	13.9
87.10021	2.2
88.03952	4.3
89.02364	1.9
89.05990	10.0
91.03948	4.0
91.05466	7.0
92.05779	2.0
93.07019	4.4
95.04943	8.7
95.08581	5.1
96.04473	4.3
97.02871	42.5
98.06001	2.4
99.04427	8.0
100.02152	3.0
100.07599	29.0
101.07137	4.7
102.05595	2.9
103.03923	18.5
105.07015	5.5
106.07339	2.1
107.08581	4.4
108.08105	2.3
109.02872	7.7
109.06481	3.1
109.10139	6.7
110.06016	3.8
111.04439	2.6
113.02338	3.2
113.06005	2.9
113.07117	2.1
114.05495	5.7
115.03927	27.0
116.07071	5.6
117.05485	9.3
117.06992	2.3
119.04873	4.8
119.08568	3.8
119.10673	83.7
120.08099	2.3
121.06491	3.3
121.10139	7.7
122.02747	4.5
123.04429	3.4
123.08111	2.2
123.11691	2.3
124.07574	5.5
127.03889	25.3
128.07036	4.5
129.06631	6.1
129.10194	4.0
130.08600	2.4
131.03371	4.5
131.04892	2.3
131.06970	2.1
133.04936	37.2
133.06448	2.3
133.08582	3.2
133.10143	5.2
135.08018	5.0
135.11603	2.6
136.07506	3.5
137.02321	2.8
137.05940	4.2
137.09604	8.6
141.05537	2.5
141.06493	3.5
143.11757	7.8
144.06517	5.7
145.02995	2.0
145.04941	32.1
146.05920	2.5
147.04404	10.4
147.06499	2.2
147.07980	2.4
151.07481	3.4
152.10645	5.1
162.10019	2.5
163.05995	12.7
163.07370	3.4
163.11189	2.1
165.09109	5.0
167.07060	3.9
169.13336	3.8
177.05429	6.4
189.12321	11.0
191.14359	2.4
196.14449	16.4
197.12845	8.6
206.04872	1.9
207.06403	4.0
214.15474	12.1
217.06952	2.5
223.05875	4.3
224.13919	6.4
225.12335	2.9
229.15501	4.4
231.08609	3.3
233.15456	2.8
241.06935	5.7
242.14998	12.2
251.14810	5.7
259.08142	9.5
261.09659	3.2
268.15933	2.6
272.11102	4.3
277.09207	2.0
281.15881	3.7
295.10193	6.1
315.04898	5.4
332.15198	2.4
337.22391	2.2
338.20462	5.1
341.11221	4.1
352.65515	2.1
355.23331	3.8
377.18039	2.2
394.19016	2.8
412.14578	2.9
412.25400	15.1
430.16367	2.6
430.25970	2.7
430.35910	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	430.191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.9
55.05487	3.0
56.27232	0.8
57.03424	18.1
69.03408	2.4
69.07027	0.9
70.06575	5.2
70.27645	1.0
71.01342	0.9
71.04968	2.7
71.08593	3.3
71.09011	2.2
72.08138	3.4
73.02902	2.5
73.06538	2.3
74.06058	2.6
75.04467	7.9
79.05468	0.9
81.03410	1.7
81.07037	1.4
81.52030	0.7
83.04951	2.2
84.04480	1.7
84.08128	4.6
85.02895	11.2
86.09679	2.5
87.04459	1.0
88.24235	0.7
91.05403	1.4
93.05498	5.8
95.01299	5.9
97.02873	3.4
98.98502	0.8
99.04420	1.4
99.08058	9.4
103.03925	12.5
109.02883	1.4
113.02331	2.9
117.09109	35.1
119.04929	2.4
120.08128	1.0
121.02897	0.9
124.07590	2.4
127.03883	3.6
127.07465	1.2
129.10197	1.0
130.08621	3.3
131.03355	1.6
132.79845	0.7
136.07603	1.0
138.05428	1.3
138.09154	0.8
141.01801	13.8
145.02838	1.9
145.04930	4.1
145.08612	1.3
146.16541	2.0
147.04390	8.3
148.04738	1.3
157.08519	0.9
159.02846	2.5
163.03835	1.6
163.06024	2.6
170.06287	1.6
173.11664	2.3
175.09622	31.9
177.04060	1.0
177.05417	5.5
188.07294	1.8
201.11195	3.5
203.07115	0.9
219.12231	100.0
220.12556	2.4
251.07639	6.0
275.11160	1.3
277.57755	0.8
299.65866	1.0
333.11588	2.2
351.12869	5.8
360.02493	1.0
377.14471	3.0
395.15326	5.3
430.16684	1.3
431.15265	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3717
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
55.05493	3.0
57.07063	17.3
67.05477	5.2
69.07049	5.1
69.22592	15.0
71.08613	11.4
74.33039	1.3
79.05483	2.4
81.07043	7.1
83.04966	1.8
83.08599	4.2
85.10146	5.1
91.05444	2.4
93.07024	1.9
93.73817	1.2
95.08595	9.6
97.10158	2.6
98.20701	2.1
105.07008	4.2
107.08574	6.0
109.10148	7.8
111.11693	2.0
116.45485	1.4
119.08607	3.0
121.10127	4.7
122.07265	1.8
123.08065	2.4
123.11680	1.3
131.08563	3.2
133.10103	2.1
135.08018	4.5
135.11685	1.8
137.09607	7.3
145.10127	1.6
149.09575	12.2
151.07506	1.6
159.11688	4.4
163.11143	20.3
165.09081	100.0
166.09364	2.1
173.09624	1.9
173.13234	2.0
175.11151	4.9
176.08325	1.5
177.09079	10.2
177.12714	2.4
179.10727	2.3
187.11127	2.6
189.12758	2.5
191.10612	9.9
201.12717	4.3
203.14247	1.5
205.12193	11.6
219.13817	6.2
233.15369	2.3
275.20035	3.1
289.21463	1.5
303.23077	1.9
373.31128	1.8
401.33862	2.1
411.36081	5.9
429.32184	2.9
429.37189	68.5
430.37473	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	430.17
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.3
55.01859	9.7
55.05496	0.8
57.03425	4.7
60.04493	1.2
61.02924	6.3
61.20439	0.7
68.99761	2.6
69.03418	28.9
69.31640	6.2
69.32050	1.4
71.04972	4.6
73.02902	10.6
81.03404	31.7
83.01335	1.0
85.02888	100.0
86.03206	1.0
87.00812	36.1
87.04456	1.4
91.03931	2.9
97.02870	34.3
99.03834	1.4
99.04438	18.1
99.05089	1.4
103.03885	1.1
105.01848	37.0
105.02557	1.8
105.07014	1.0
108.04468	9.6
109.02863	35.5
115.03889	2.1
117.01808	5.1
124.05164	1.3
126.05522	4.2
127.03893	82.4
128.04295	0.9
129.01782	3.7
134.74095	0.8
137.05937	3.7
145.04933	52.6
146.60826	0.7
147.02850	3.6
148.05090	0.9
159.02859	31.1
165.09100	1.7
175.07497	1.4
177.03879	1.2
180.68079	0.8
189.03886	1.9
189.09068	6.2
207.10124	2.3
212.05524	0.9
213.03915	3.7
221.58217	0.8
225.06572	1.3
230.06531	2.9
231.04942	23.5
231.10077	2.3
248.07520	7.5
249.06027	2.8
250.77531	0.8
255.10106	1.7
262.06812	0.8
266.08606	2.1
273.11105	3.3
277.31027	0.8
279.11377	0.9
300.35196	0.9
430.16214	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3719
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
51.08380	0.5
51.86673	0.4
51.86950	0.5
55.05487	2.4
57.07065	16.3
62.89891	0.6
67.05485	4.3
69.07063	3.8
69.57496	3.7
71.08617	11.8
81.07038	7.1
83.04959	0.6
83.08597	3.2
85.10171	5.7
91.05450	1.4
93.07013	2.1
95.08592	6.6
97.10145	1.5
98.01554	0.6
105.07004	2.5
107.08576	5.1
109.06507	0.6
109.10131	5.7
111.11671	1.7
117.06982	0.7
119.08566	4.0
121.06503	1.2
121.10125	4.0
122.07242	0.9
123.08045	0.9
123.11700	1.7
125.05959	0.8
131.08549	2.2
133.10100	1.5
135.08015	4.7
135.11668	1.9
137.05992	0.9
137.09601	10.1
139.07506	1.8
144.09314	0.9
145.10101	3.3
149.09593	13.6
149.13147	0.6
151.07483	1.2
159.08037	1.1
159.11638	2.6
160.08899	0.8
161.09639	0.8
162.06714	1.4
163.07465	0.8
163.11147	19.3
165.09084	100.0
166.09381	1.3
173.09569	2.5
173.13213	1.9
174.10394	0.7
175.11182	5.1
176.08290	1.4
177.09093	11.4
177.12691	2.3
179.10568	1.0
185.09485	0.7
186.10384	1.3
187.11201	2.6
187.14754	0.7
189.09154	0.8
189.12715	2.1
190.09789	1.8
191.10645	10.9
191.14182	0.8
200.11913	0.7
201.12735	2.8
203.10635	2.1
203.14403	0.8
204.11552	0.7
205.12199	10.2
205.13966	1.0
215.14265	1.5
216.69145	0.6
219.13795	4.8
226.78633	0.7
229.15906	0.6
233.15388	2.8
243.17345	0.6
247.16946	2.2
261.18414	1.3
275.20108	1.5
289.21518	1.6
303.23056	2.0
317.24734	1.3
331.26315	0.8
345.27850	1.5
359.29419	0.7
373.30859	0.7
383.36914	0.8
401.34045	2.4
411.36224	2.5
429.37183	64.8
430.37689	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	429.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15577	0.6
53.03942	0.7
54.87555	0.6
55.05501	2.7
57.03425	5.5
57.07065	1.2
65.21233	0.6
67.05492	8.7
69.07047	2.4
71.08610	0.9
71.54108	0.8
71.54484	1.0
76.99229	0.6
79.05478	9.1
81.07034	12.6
83.06042	0.6
83.08600	1.6
91.05447	4.4
93.07022	11.2
95.08591	10.0
97.06505	1.5
98.98447	1.2
99.08092	0.6
105.07025	5.1
107.08569	7.6
109.06495	0.9
109.10151	4.3
110.11493	0.6
112.99995	100.0
117.07010	1.4
119.08569	3.4
121.10114	6.7
123.11662	1.9
125.09592	0.7
131.01036	1.2
131.08510	3.7
133.10114	2.1
135.11656	5.0
136.46739	0.6
137.13208	0.9
145.10088	3.5
147.11671	2.2
149.02284	0.8
149.09546	0.9
149.13206	3.8
154.02734	0.8
159.11659	2.0
161.13214	2.1
161.28656	0.6
163.14789	3.9
167.84160	0.7
169.02579	98.6
170.02910	0.9
171.13788	1.0
173.13280	3.4
175.14838	1.0
177.16353	0.7
187.14784	2.7
191.14244	0.7
193.04956	1.2
201.16309	1.2
227.20030	0.9
233.22632	1.9
243.21019	8.5
246.26927	0.6
261.22098	22.7
262.22501	1.5
308.28094	0.7
429.23822	2.1
429.32233	0.7
429.37286	1.6
432.75098	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23482	2.6
51.85319	2.5
53.03929	5.9
55.01857	7.8
55.05502	13.4
56.32768	2.9
57.03411	3.3
57.07067	83.4
59.05003	2.7
67.05490	26.8
69.03410	19.6
69.07058	21.9
69.17515	11.2
69.17937	20.8
71.04987	7.8
71.08232	3.6
71.08619	69.7
73.02927	5.9
79.05462	4.1
81.03408	21.0
81.06589	2.9
81.07043	40.9
83.08611	25.1
85.02873	4.5
85.06520	4.4
85.10178	34.6
89.06028	2.9
90.27774	3.3
91.05418	5.2
93.07025	7.9
95.08586	68.2
97.02877	100.0
97.10146	27.0
98.03170	4.5
99.04440	33.5
105.06979	2.6
107.08594	3.6
109.02855	19.2
109.10146	29.9
111.11694	12.1
121.10098	4.6
123.11660	19.0
127.03898	49.0
137.13243	9.9
151.14799	4.1
153.16373	3.6
165.09041	7.9
165.16345	3.5
249.25816	6.7
267.26776	92.0
312.04861	3.0
321.34509	3.4
363.28815	4.2
411.30865	8.1
429.26675	3.0
429.31754	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.4
53.03932	3.1
55.01857	2.3
55.05498	8.8
57.03420	3.4
57.07059	1.3
65.03942	1.1
66.53744	0.9
67.05499	8.9
69.03419	39.3
69.07059	4.1
71.04968	1.8
71.55624	1.3
73.02907	1.0
74.39135	1.0
75.04455	1.5
77.03934	1.0
78.64397	0.8
79.05048	1.9
79.05480	26.9
81.02975	0.9
81.03410	11.0
81.07047	14.1
81.48116	0.8
83.04962	5.2
83.08606	3.4
85.02888	8.1
85.06496	1.0
90.29028	0.9
91.05457	23.8
93.07029	76.4
95.04959	12.0
95.08589	12.8
97.02876	100.0
97.06505	3.9
97.10140	2.2
98.03233	1.0
99.04403	1.5
103.05450	31.0
103.06135	1.9
105.04469	1.6
105.07017	20.4
107.04945	1.6
107.08573	22.6
109.02856	1.2
109.06523	3.8
109.10117	2.8
111.04412	2.9
111.08062	3.5
115.03915	3.1
115.05422	2.1
116.06187	1.4
117.07001	7.2
119.04894	1.1
119.08563	32.2
120.08875	1.1
121.06487	3.6
121.10120	56.8
122.10506	1.5
123.08054	3.7
123.11703	2.3
125.09658	1.1
128.06230	2.1
129.06964	4.9
131.04907	97.0
131.08540	12.3
132.05258	3.2
133.10106	6.7
135.08049	4.2
135.11668	3.5
139.11157	2.6
141.06923	1.3
142.07802	2.2
143.08531	7.6
145.06435	1.9
145.10098	9.2
147.08003	4.7
147.11681	2.6
149.02316	3.5
149.05945	2.5
149.09612	19.5
151.07567	5.1
151.11127	1.1
153.07011	2.5
155.08545	5.0
156.09315	1.4
157.06491	1.8
157.10107	6.4
159.08038	1.7
159.11690	6.5
161.09604	4.9
163.11150	2.2
165.06998	1.9
165.09091	2.2
167.08571	1.2
169.04900	1.4
169.10168	1.4
171.08089	2.1
171.11687	5.5
172.92450	0.8
173.09593	3.2
173.13252	2.9
175.11223	2.8
177.09056	1.5
181.10092	2.1
183.08046	3.5
183.11655	1.8
185.06084	1.0
185.09578	1.0
185.13200	2.3
187.11130	1.9
187.14766	3.5
189.09222	1.1
189.12828	1.3
191.10672	1.8
193.04944	2.8
193.12199	3.1
195.11647	1.3
197.13161	1.4
199.11179	3.8
201.09111	1.3
201.12694	2.4
205.12207	1.5
205.36929	1.0
211.11401	1.5
211.13272	4.9
211.14990	1.4
213.16417	3.1
215.14310	1.6
217.12294	2.3
227.07025	4.1
227.10799	1.4
233.15289	1.3
237.22122	2.2
241.15840	2.3
241.19344	1.3
245.08119	5.1
245.11691	2.5
247.97600	0.9
251.18211	1.1
260.17218	0.9
263.09164	7.2
263.12698	2.8
269.19040	4.8
279.17316	1.1
281.13724	0.8
287.20020	1.5
297.18411	4.0
401.23267	1.8
411.21289	1.2
429.11685	4.1
429.22488	13.1
429.69232	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	429.175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.7
55.01873	4.4
55.05492	5.7
57.03428	4.5
67.05483	7.8
69.03415	20.9
69.07040	8.7
70.06564	6.7
71.04977	5.8
71.52431	3.6
72.08144	4.3
73.02897	4.6
79.05472	11.8
81.03403	7.7
81.07043	17.6
83.04962	6.3
83.08584	2.6
84.04498	2.4
84.08124	5.6
85.02901	14.4
85.06516	3.7
86.06050	6.3
86.09679	7.7
87.00836	4.1
87.04459	3.0
91.05416	14.2
93.07010	18.4
95.04950	11.9
95.08587	11.3
97.02882	6.2
97.06510	8.3
99.04449	9.8
103.05446	4.2
103.45839	2.2
105.07009	65.5
106.07336	3.0
107.04949	6.1
107.08591	12.9
107.09200	2.7
109.02840	6.3
109.06490	4.2
109.10131	6.0
117.06995	8.3
119.04906	4.2
119.08568	15.7
121.06489	9.1
121.10096	11.6
123.08024	3.9
123.11726	3.5
124.59331	2.4
125.05972	6.9
125.09563	2.5
127.03861	12.2
128.06161	4.4
129.06993	6.5
129.10210	2.8
130.07724	3.4
131.08539	15.1
133.06451	17.0
133.10078	13.1
133.98940	2.3
135.08028	4.4
135.11647	3.7
137.05954	15.8
137.09558	2.1
138.06305	2.3
143.06978	4.2
143.08551	8.3
144.09302	5.1
145.06436	7.5
145.10094	100.0
147.07962	5.8
147.11662	7.0
149.05896	2.7
149.09557	2.4
149.13245	3.9
151.07532	3.7
151.11201	3.9
154.07794	2.5
155.08414	2.5
157.10095	5.7
158.07253	9.7
159.02898	4.1
159.08012	9.2
159.11665	35.7
161.05972	2.5
161.09570	12.4
163.07497	4.1
163.11151	21.5
165.12756	2.7
167.06993	5.5
169.10092	7.0
172.08791	3.8
173.09601	44.4
177.12721	3.2
179.07018	4.0
179.10699	2.8
187.07594	2.9
187.11125	28.8
189.08998	4.4
189.12718	5.3
197.09642	6.0
205.12209	70.1
208.06200	2.3
215.10632	71.9
218.15236	3.1
232.16209	3.4
233.11679	17.0
267.07980	2.8
267.15955	3.6
288.18900	11.2
429.20819	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.3
55.01852	9.7
55.05485	9.6
57.03415	11.4
61.02886	3.1
63.00776	2.0
65.03938	2.6
67.05481	16.1
69.03426	21.0
69.03776	3.9
69.07043	11.6
69.84588	8.0
69.84999	4.6
70.06589	13.5
71.04958	8.7
72.08124	3.5
72.51037	2.1
73.02881	7.4
79.05466	26.7
81.03391	18.7
81.07037	36.6
83.04950	7.5
83.08583	3.9
84.08138	11.7
85.02882	29.6
85.06525	6.5
86.09685	100.0
87.00785	6.4
88.03987	2.7
91.05418	19.7
93.07027	25.2
95.04945	10.1
95.08586	16.5
97.02864	13.3
97.06514	12.5
99.04414	8.4
99.08042	2.6
99.78918	2.2
102.11560	2.4
103.03905	3.5
103.05433	3.3
105.01829	8.6
105.07004	56.9
107.04897	6.1
107.08548	16.3
109.02840	10.6
109.06516	5.8
109.10113	6.3
110.07138	2.5
111.08033	5.4
115.05421	3.2
117.06963	11.1
119.04941	3.9
119.08567	19.2
121.06464	27.8
121.10120	12.4
123.08022	6.7
123.11678	9.3
125.05959	6.8
127.03910	18.2
128.06149	3.4
129.06947	5.0
129.10136	3.5
130.06451	3.3
130.07727	5.5
131.08578	16.0
131.51971	2.2
133.06461	22.1
133.10123	14.2
135.04306	3.2
135.08012	6.6
135.11671	5.3
137.05940	17.1
142.07736	2.5
143.06984	6.4
143.08571	5.0
144.09291	3.2
145.04933	5.9
145.06435	4.5
145.10100	47.8
146.06078	3.3
147.08035	4.0
147.11661	21.6
149.09560	4.9
149.13193	2.9
151.07520	7.1
151.11133	2.7
154.07800	3.8
155.08473	7.0
157.10097	3.1
157.13316	14.6
158.07199	14.6
159.07990	9.9
159.11664	17.5
161.09599	6.4
163.11150	19.8
165.12709	13.3
167.06972	5.5
169.10075	7.1
171.07941	3.5
171.11650	4.9
172.08836	3.1
173.09584	64.7
179.07019	6.2
179.08542	4.0
184.07382	2.6
185.12805	19.5
187.11136	33.7
189.12683	7.8
193.12154	5.2
197.09581	10.2
205.12192	16.6
215.10609	43.9
219.17256	2.7
229.14250	3.9
231.04919	2.8
233.11739	23.5
245.18561	23.8
249.14853	17.5
251.12933	2.8
253.19063	2.7
267.15781	15.0
285.17047	5.3
298.21143	10.4
359.02908	3.3
382.43753	3.1
411.20190	3.8
429.15891	2.5
429.21295	29.7
430.17471	3.3
439.92447	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	429.175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03728	0.4
53.03933	4.1
54.80775	0.4
55.01863	5.7
55.05484	1.7
57.03421	3.7
59.04976	0.9
60.14803	0.4
61.02929	2.8
65.03960	0.5
67.05479	2.0
67.63099	0.5
68.99778	1.9
69.03419	21.3
69.07048	1.1
70.06587	3.8
71.01321	0.8
71.04977	3.4
71.51495	0.4
71.52043	0.5
72.08130	1.8
73.02905	5.0
79.05471	4.0
81.03403	20.3
81.07038	7.2
82.06535	0.4
83.01334	0.7
83.04974	3.2
84.04491	0.6
84.08125	1.4
85.02891	43.2
85.06477	0.6
86.09695	2.6
87.00301	0.9
87.00814	14.6
87.04425	0.6
89.05998	0.6
91.03931	1.3
91.05447	6.0
93.07031	8.1
95.04958	18.5
95.05560	1.2
95.08585	1.8
97.02879	14.6
97.06519	1.4
97.08863	0.5
99.04440	8.8
100.07616	0.5
101.02348	0.7
103.03917	2.3
103.05447	0.6
105.01849	11.8
105.07021	7.9
107.04944	1.5
107.07404	0.5
107.08580	10.5
109.02856	21.0
109.06491	3.0
109.10100	0.6
111.08028	0.6
113.02308	0.6
113.80379	0.6
115.03891	1.2
117.01845	2.9
117.06992	2.8
119.08559	5.2
120.08116	0.5
120.96609	0.5
121.06488	4.4
121.10127	10.9
123.04385	1.0
123.08041	1.2
125.05980	2.2
127.03895	38.1
128.06152	0.7
129.01802	2.0
129.07014	0.6
130.07753	2.7
131.08528	0.8
133.06461	1.4
133.10072	1.0
135.08037	1.4
135.11679	6.4
136.07594	0.6
137.05962	7.2
141.01778	0.6
143.08548	1.3
145.04932	15.2
145.09039	1.0
145.10098	12.1
147.02864	2.9
147.04294	0.6
147.08002	2.7
147.11620	0.5
148.08783	0.9
149.05952	1.2
151.07607	1.1
159.02866	13.9
159.11588	0.7
161.09587	1.5
163.11151	100.0
164.11537	1.4
165.09055	2.4
165.12740	1.2
167.06989	4.6
174.60832	0.5
175.11140	2.1
177.03958	1.1
177.12695	0.6
179.06958	3.2
181.12212	6.3
183.10017	0.8
184.07292	0.8
187.07529	0.5
187.11192	0.6
189.03932	2.3
189.12595	0.6
191.06906	0.6
193.12137	0.9
203.10728	0.5
205.12225	4.7
213.03870	1.7
223.13234	9.8
229.12221	0.7
231.04955	10.1
233.08121	1.2
249.06065	0.8
251.09137	0.7
271.13156	1.3
289.14316	1.0
290.90479	0.5
307.15430	0.6
347.18625	0.6
393.15231	3.4
411.16333	2.4
429.17105	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	429.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80367	0.3
53.03911	0.3
56.05014	0.4
56.96560	0.5
64.79210	0.3
67.05486	1.2
69.03420	0.8
70.06562	1.1
71.50920	0.5
72.08126	0.4
79.05481	0.4
84.08137	1.2
85.02869	1.2
86.06023	0.4
86.09678	0.7
88.02176	0.4
89.03862	0.4
91.05434	0.7
94.06551	5.2
96.66414	0.3
97.02869	0.9
98.97557	1.1
100.03940	1.2
101.00916	0.3
104.63319	0.3
106.06531	1.8
110.07104	0.5
116.98566	0.4
118.05001	1.1
119.01892	0.8
119.04903	0.9
121.01688	0.4
121.06486	0.7
122.06019	5.3
122.06959	0.6
123.04346	0.3
127.03899	0.4
129.10213	0.4
130.08609	1.1
131.01866	0.8
136.06158	9.5
138.09100	0.4
145.02821	1.0
146.08076	0.5
147.04398	3.4
150.05473	100.0
151.05795	1.2
152.05650	6.6
154.08688	0.4
158.99629	0.5
161.02893	0.5
168.06558	2.3
168.24150	0.3
173.02914	0.7
177.05432	2.7
182.08118	0.7
197.06584	0.4
205.09639	0.4
208.73672	0.3
219.01704	0.5
221.05139	0.3
237.02637	0.4
244.04169	0.5
267.09714	28.7
268.10196	0.7
279.07260	0.5
284.09744	0.3
295.06766	0.3
297.08569	0.5
339.07062	0.3
351.09344	0.4
367.08624	0.9
369.09909	0.4
411.08307	0.8
429.03049	0.4
429.08011	0.4
429.19128	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58453	0.5
53.03929	2.2
55.01859	3.6
55.05502	4.1
55.40092	0.4
57.03413	1.9
57.07067	7.2
61.02919	2.2
64.70694	0.4
67.05476	0.6
68.99761	0.6
69.03072	0.8
69.03417	10.2
69.22735	5.8
70.06562	0.5
71.04964	1.9
73.02911	3.1
81.03400	8.2
83.08603	3.1
85.02891	25.3
85.06503	0.5
86.03220	0.5
87.00809	10.4
87.04461	1.1
89.06015	22.2
91.03941	0.8
93.98035	0.5
97.02860	9.1
99.04439	4.3
100.07602	0.5
101.09026	1.0
101.09636	10.4
105.01846	9.5
106.35180	0.4
107.07049	22.6
109.02857	10.4
110.07142	0.5
117.01842	1.5
127.02943	1.0
127.03890	17.6
129.01814	1.4
141.01688	0.7
145.04939	8.0
145.12198	0.7
147.02858	0.5
159.02849	5.7
163.13261	100.0
164.13589	2.7
189.03943	0.6
190.25513	0.6
191.52559	0.5
213.03937	0.9
231.04974	3.4
270.82571	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.3
55.01861	8.2
55.05488	2.0
56.05028	1.5
57.03422	6.1
59.04987	1.7
61.02914	6.8
68.37154	1.5
68.84524	1.5
69.03419	32.0
69.07058	4.7
70.06581	17.5
70.53226	2.5
70.53608	5.4
71.04990	4.7
72.08151	9.8
73.02898	10.1
81.03410	30.4
81.07030	3.9
84.04520	3.1
84.08144	9.1
85.02893	100.0
86.09708	5.1
87.00816	42.3
91.03942	2.3
91.05443	2.1
96.08134	1.6
97.02879	40.9
99.04438	15.1
99.08096	3.9
100.07606	6.2
101.02377	1.8
103.03909	1.7
105.01848	61.7
108.04446	8.2
109.02863	33.0
109.06554	1.9
110.07133	4.0
115.03929	2.3
115.07607	1.9
117.01810	2.2
117.09131	19.2
121.06520	1.8
124.07618	2.8
125.05981	2.0
126.05511	3.2
127.03899	80.7
127.07543	2.0
128.07079	2.3
129.01826	4.8
129.10245	1.8
136.06241	2.4
136.07524	2.4
137.06001	3.0
143.07025	6.0
144.10112	1.6
145.02988	2.5
145.04942	40.7
147.02890	4.0
147.04388	3.4
149.05994	1.7
150.07733	7.6
153.05473	2.0
159.02876	16.7
161.08136	1.7
162.05415	1.5
163.05978	2.7
163.09654	3.9
164.07034	2.1
173.08128	2.2
177.03925	2.7
177.05461	7.1
185.08096	3.5
187.06055	1.4
187.64450	1.4
188.09180	3.9
207.06406	2.3
213.03894	3.6
217.10674	14.6
229.15450	5.1
230.06485	2.4
231.04938	25.9
235.11642	1.8
243.08258	1.6
248.07625	6.1
248.13663	1.7
249.05974	6.7
253.10611	3.3
265.14575	2.5
266.14484	5.1
311.11111	2.0
329.12054	2.9
331.13937	2.5
347.13132	1.7
357.11810	2.8
366.69409	1.7
375.12637	2.3
428.31259	4.5
447.25116	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	427.3409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.6
55.01860	1.6
55.05497	19.5
57.03432	11.1
57.07066	26.8
58.23907	0.9
67.05491	22.0
68.81125	1.2
69.07056	33.8
69.33231	8.2
69.33655	2.5
71.04994	1.6
71.08620	19.6
79.05485	8.5
81.07040	32.6
83.04962	2.7
83.08604	25.5
85.06514	1.2
85.10173	10.5
86.08585	0.9
89.06039	1.9
91.05454	3.9
93.07028	12.5
95.08588	28.8
95.14219	1.2
97.06527	7.5
97.10157	15.4
105.07025	1.9
107.08574	10.2
109.10136	14.1
111.08076	5.3
111.11719	5.3
119.08585	2.5
121.10121	14.5
123.11684	5.6
125.09609	3.6
125.13225	1.1
129.09108	1.2
131.08585	1.4
133.10115	1.0
135.11670	9.9
137.13239	4.0
139.11162	3.8
145.10103	2.3
147.11646	1.3
149.13211	7.2
151.14754	1.7
153.12724	2.4
161.13315	1.3
161.58774	1.1
163.14838	3.2
167.14371	3.2
171.13864	1.7
171.32320	1.0
172.95256	1.0
177.16385	2.8
181.15823	1.8
182.49083	1.1
191.17935	1.3
201.82025	1.0
209.19260	1.5
213.18468	1.5
223.20450	2.2
265.25266	1.9
289.28891	4.1
289.93851	1.1
291.23224	2.0
307.29730	4.9
317.28351	4.6
335.29364	10.9
353.30487	1.1
371.31470	35.0
372.31818	2.6
388.60040	1.1
409.33417	9.4
427.34253	100.0
428.34579	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	427.3779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	31.7
57.03427	10.2
57.06794	1.8
57.07071	30.8
66.96436	1.0
67.05494	18.4
69.07059	38.7
69.34142	11.6
70.42021	1.1
71.04961	1.3
71.08625	19.2
79.05507	5.1
79.05891	1.0
81.07043	23.7
83.04962	1.6
83.08611	25.3
85.10165	12.8
87.04467	1.9
91.05468	2.2
93.07044	10.8
95.08598	25.1
97.06516	4.8
97.10160	19.4
98.20699	2.3
101.05961	1.2
105.07026	2.3
107.08567	9.4
109.10139	21.7
111.08085	4.0
111.11716	7.3
113.13233	1.6
114.18547	1.1
115.07605	1.9
119.08550	1.3
121.10135	12.0
123.11669	5.3
125.09627	4.2
125.13271	2.2
129.09084	1.4
130.08669	1.1
135.11674	8.0
137.13243	5.3
139.11180	3.5
147.11694	1.9
149.13266	5.9
151.14792	2.1
153.12726	3.3
161.13141	1.1
163.14815	4.4
165.09155	1.8
167.14297	2.0
177.16379	2.8
181.15851	1.7
191.17955	4.6
195.17444	1.8
205.19502	2.1
219.21147	2.6
317.31973	3.1
335.33017	9.3
409.36856	12.5
427.30536	2.9
427.37830	100.0
428.38174	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	427.3045
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.3
53.05810	0.4
55.01854	1.9
55.05500	24.7
57.03431	10.3
57.07067	29.5
59.04979	0.8
63.70819	0.4
65.03928	0.8
67.05492	27.7
69.03413	1.6
69.07056	41.0
71.04984	2.2
71.08619	19.9
71.54331	0.7
73.02877	0.6
73.06528	1.3
79.05473	10.7
81.03400	1.8
81.07041	35.7
83.04968	3.1
83.08603	26.9
83.09115	0.9
84.08125	0.8
85.06540	2.1
85.10166	9.4
87.08147	0.4
91.05479	2.4
93.07025	16.5
95.04945	0.4
95.08591	36.2
97.02870	7.7
97.06509	8.2
97.10151	19.8
97.10658	0.3
99.04436	2.7
99.08065	1.0
99.11658	0.5
101.06006	1.4
105.07001	2.3
107.08570	11.8
109.02866	1.3
109.06464	0.6
109.10135	16.8
111.08060	4.6
111.11702	6.3
113.09622	0.8
115.07552	1.9
115.11168	0.4
119.08573	1.4
121.10119	17.2
123.08049	0.7
123.11685	7.7
125.09610	5.3
125.13268	1.4
127.03898	4.3
127.11189	0.6
129.09094	2.0
131.08505	0.8
132.88829	0.5
133.10121	1.5
135.11668	14.7
137.13216	3.6
139.11165	4.9
143.10654	1.0
145.04991	0.6
145.10054	0.5
147.11655	1.5
149.13231	7.6
151.14766	1.0
153.12683	4.2
157.12169	1.1
159.11649	0.5
161.13214	0.7
163.14798	3.6
165.16348	0.8
167.14301	1.8
171.13823	0.9
177.16385	2.6
181.15887	2.0
185.15416	1.4
191.17902	1.9
193.15927	0.6
195.17413	1.6
199.16823	1.0
203.17903	0.5
205.15820	0.5
205.19403	1.3
209.18895	1.0
213.18483	1.2
219.21109	0.8
221.19048	0.8
223.20512	1.3
227.19884	1.0
235.20561	1.1
237.22183	1.0
241.21582	0.9
247.24164	1.5
265.25223	9.7
269.24435	0.4
289.28821	3.5
299.27374	0.6
307.29880	6.1
317.28247	5.7
333.27869	1.2
335.29346	13.6
336.29779	0.5
343.26404	0.9
353.30600	0.7
361.27359	3.4
371.31491	31.4
372.31876	1.3
409.33099	13.7
427.34122	100.0
428.34534	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	427.1958
Annotation	gamma-CEHC Glc
Peak:m/z	Relative Intensity
53.03926	1.8
55.01852	3.2
55.05490	3.8
56.05032	1.3
57.03415	3.2
59.12952	1.0
59.14721	1.2
59.53652	1.1
61.02905	4.2
67.05499	6.7
69.03415	20.2
69.07051	7.8
70.06573	9.4
70.11546	3.0
70.11951	2.4
71.04970	4.2
72.08131	4.3
73.02896	1.6
79.05457	5.0
81.03391	6.0
81.07034	5.3
83.04968	2.8
84.04502	1.7
84.08133	6.4
85.02889	34.9
85.06533	1.8
86.09690	3.5
87.04457	3.1
88.02158	1.3
91.03936	1.8
91.05463	9.3
93.07024	9.8
94.06592	1.3
95.01312	2.0
95.04938	10.5
95.08578	4.7
97.02868	11.9
97.06515	5.1
99.04440	6.7
100.65101	1.1
103.03905	5.7
103.05439	1.2
105.07012	15.4
105.81406	1.2
107.04945	2.1
107.08577	5.1
109.02864	5.7
109.06487	8.2
109.10146	2.3
110.03631	3.4
110.07156	2.3
111.04416	9.1
111.08071	2.4
113.02319	1.2
113.05969	6.7
116.06239	1.4
117.03326	2.8
117.07025	2.6
119.04883	2.6
119.08564	18.9
121.02815	2.2
121.06483	11.3
121.10122	4.7
122.05991	2.4
123.04380	1.4
123.08030	5.9
124.07549	1.7
125.05969	17.2
127.03907	14.2
128.06209	2.3
128.07063	2.8
129.06999	3.6
129.10208	2.2
130.08641	1.8
131.08537	11.9
132.09033	1.2
133.06476	1.4
133.10092	6.8
134.02695	1.7
135.08020	19.6
135.11673	1.5
136.07541	4.5
137.05933	2.8
137.09561	4.0
137.54475	1.4
138.09087	1.5
139.03883	4.7
139.07487	2.4
140.07066	1.4
141.06914	3.0
142.07730	2.2
143.07028	8.8
143.08501	5.3
144.09212	1.5
145.02808	4.1
145.04924	8.1
145.06371	2.5
145.10086	10.7
146.06055	1.7
147.04399	6.8
147.08040	11.1
147.11650	3.9
149.05942	1.8
149.09602	2.8
150.07733	20.6
151.07471	1.5
153.05440	29.3
154.06230	9.6
155.03404	1.5
155.08527	2.0
155.10606	1.7
157.10031	7.6
158.07219	5.3
158.10959	1.2
159.08008	9.1
159.11661	10.5
160.08728	1.4
161.05937	1.4
161.08195	1.7
161.09558	11.8
161.13272	2.2
163.03909	1.3
163.05960	3.8
164.07104	1.4
165.09056	6.8
168.09311	1.4
169.10188	1.3
170.05695	3.1
171.08034	2.3
171.11610	3.3
172.08818	4.0
173.09557	6.8
173.13264	6.9
175.03911	1.3
175.07520	18.2
175.11101	10.9
177.05441	9.8
177.09047	1.8
179.03317	2.8
181.10007	1.3
183.11649	4.2
185.08069	55.2
185.09499	2.5
185.13068	1.5
186.08467	3.9
186.10376	2.3
187.11165	12.8
188.09091	1.3
189.09143	4.7
189.12708	3.3
191.06892	2.0
193.04977	1.4
193.08545	2.8
193.10063	1.4
196.08795	2.7
199.09546	1.6
199.11119	6.2
201.12689	9.6
203.10623	15.2
205.12228	1.4
207.06442	1.3
207.10028	2.0
211.11177	6.8
217.10541	16.1
217.12631	5.8
217.20341	1.3
219.13773	5.3
229.12125	9.7
235.13249	3.4
240.06429	1.4
242.08055	10.4
247.13235	38.3
265.14301	100.0
266.14566	2.9
288.14221	1.9
295.11444	4.1
306.14957	1.5
339.11099	1.3
381.66757	1.1
427.20901	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	427.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52346	1.2
52.58652	1.2
53.03933	2.7
55.01845	4.7
55.05499	8.7
57.03176	1.7
57.03423	14.9
61.02905	2.8
67.05481	6.8
69.03416	35.9
69.07051	2.3
70.57841	2.4
70.58165	1.8
71.01347	6.9
71.04598	2.1
71.04979	29.7
73.02908	10.1
74.03220	1.2
75.04458	4.5
78.81055	1.1
79.05475	24.8
81.03397	5.5
81.07045	10.3
83.04967	18.9
84.08134	6.3
85.02892	58.2
85.06509	1.3
87.04442	5.3
89.06030	1.6
91.05452	20.1
93.07024	87.1
94.07371	1.7
95.04942	14.6
95.08582	6.0
97.02874	36.0
97.06541	2.3
98.09666	2.9
99.04424	4.3
100.07587	5.5
103.05480	1.2
105.07005	18.7
107.04952	2.5
107.08575	17.4
109.02800	1.6
109.06510	6.0
109.10124	2.0
111.04430	15.2
111.08054	1.8
112.11211	2.6
113.02322	1.7
113.05985	2.6
115.03905	11.1
117.06971	3.8
119.08565	18.9
120.08871	1.2
121.06494	6.4
121.10120	100.0
122.10484	2.2
123.04394	2.4
123.08031	3.1
123.11642	2.3
125.05925	2.1
127.03914	2.4
129.05455	16.4
129.06947	2.2
131.08551	11.9
133.06532	2.1
133.07509	1.3
133.10106	4.1
135.04381	1.3
135.07977	2.2
135.11681	1.6
137.05879	2.9
139.03857	3.9
139.11139	1.3
143.08510	2.8
145.10074	5.6
147.06531	2.5
147.08003	4.1
147.11682	2.7
149.09586	52.0
150.09859	2.0
151.07480	1.9
153.05432	2.7
157.04950	7.0
157.10098	3.0
159.11685	1.7
161.05887	1.4
161.09596	3.9
162.07571	3.3
163.07883	2.3
163.11093	3.2
165.09053	2.0
167.10670	9.2
169.10150	1.3
171.11694	1.6
173.02403	1.2
173.09554	2.7
175.05933	1.6
175.11076	2.7
177.09125	1.4
181.04901	2.9
187.11092	2.4
189.12762	1.5
191.10646	4.6
203.10602	3.1
209.11702	1.4
225.07524	6.9
231.13756	1.4
239.12677	2.7
239.18495	1.4
243.08572	3.7
249.14836	1.5
259.13318	1.4
277.14148	2.9
281.13742	6.7
295.12228	2.1
295.15353	7.3
409.18515	3.5
427.19473	5.7
427.26617	4.0
427.39810	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	427.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.7
55.01848	1.6
55.05501	1.0
57.03411	0.7
57.07077	0.6
61.59320	0.4
65.03925	0.6
67.05477	2.7
69.03421	16.8
69.07056	0.9
69.25892	2.1
69.26315	2.9
71.04967	1.8
73.02895	1.7
75.93962	0.5
77.03899	0.7
79.05480	4.2
81.03400	2.0
81.07053	2.5
83.04958	2.0
84.08140	1.7
85.02893	3.2
91.05471	15.3
93.07030	15.0
95.04955	3.2
95.08585	3.3
97.02878	33.7
97.06503	0.6
98.03168	0.6
98.09681	0.7
100.07598	1.9
103.05451	30.8
104.05689	0.6
104.06293	0.6
105.03421	0.5
105.07004	4.6
107.04930	1.0
107.08583	2.9
109.06479	1.1
109.10136	1.1
111.04440	1.1
111.08099	0.6
112.11216	0.6
115.03893	1.9
115.05428	1.5
117.06984	5.5
119.08561	22.9
121.06472	1.6
121.10123	6.2
123.08060	1.0
128.06226	1.1
129.05489	0.7
129.06967	2.7
131.04907	100.0
131.08542	1.9
132.05255	1.3
133.06450	0.5
133.10072	1.3
135.08017	2.1
137.05893	0.7
137.09607	1.8
141.07011	0.9
142.07735	0.6
143.08549	1.9
145.06483	1.0
145.10120	1.4
147.08018	9.4
149.05946	0.7
149.09592	3.0
151.07552	0.8
153.06967	1.1
155.08528	1.7
156.09312	0.6
157.06441	0.9
157.10190	0.6
161.09567	0.9
162.07593	0.8
163.07535	1.0
163.11168	0.7
165.06935	0.5
165.09081	3.9
169.10123	0.9
169.13310	0.6
171.08014	1.0
171.11650	1.0
173.09583	0.6
175.11304	0.5
183.08041	1.9
183.11728	1.0
185.09610	0.6
185.13223	1.0
196.20906	0.5
197.09601	0.6
199.07507	0.6
199.11229	0.7
201.09058	0.8
227.06975	2.2
245.08087	8.1
263.09012	0.7
267.17258	0.7
279.12204	1.1
295.12366	0.5
295.17197	0.5
427.16153	0.8
427.20868	2.0
427.40384	2.3
440.61200	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64969	2.2
56.18004	2.1
56.96555	3.7
57.01621	2.2
71.46175	5.2
82.06599	3.4
84.08122	45.9
100.07584	3.2
100.90556	2.4
109.52354	2.2
110.73244	2.4
112.07668	2.3
130.08614	11.9
131.52544	2.6
132.56979	2.4
146.08058	4.2
152.05609	4.3
152.06781	20.8
156.04985	3.6
160.08260	2.7
168.04211	100.0
168.06357	8.5
170.06607	19.5
186.04349	6.9
186.05959	2.9
209.11417	4.4
217.11871	4.6
235.09204	3.3
235.12831	12.4
245.11348	3.6
253.10284	5.3
261.10825	2.7
263.12433	10.1
279.11771	7.1
281.13461	10.9
297.13205	12.9
299.14383	23.4
300.14664	3.3
315.08197	5.1
315.14423	39.4
317.15576	20.4
333.15213	44.6
426.12122	3.1
426.20947	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05485	0.4
56.57745	0.1
56.80619	0.2
57.03417	0.2
57.04536	0.5
59.04996	0.1
69.03409	0.3
69.66182	0.8
70.06568	0.7
72.08132	0.3
73.02884	0.2
82.06543	0.2
82.57438	0.1
84.04485	0.2
84.08112	0.3
85.02880	0.4
86.09676	0.4
94.04041	1.2
95.04971	0.2
95.08595	0.2
97.10152	0.7
98.89524	0.1
100.07590	0.3
107.04971	0.2
110.07132	0.3
110.14044	0.1
112.05058	0.3
115.11179	0.4
120.07967	0.1
123.06635	0.7
124.07558	0.3
127.03919	0.2
128.07007	0.4
128.94011	0.1
130.08644	0.1
133.05034	0.4
133.12221	0.3
135.05357	0.2
136.07535	0.2
137.05971	0.2
146.05986	0.2
148.06122	0.3
150.07721	100.0
151.08095	1.1
159.87218	0.1
161.05846	0.2
168.11462	0.2
176.05623	0.1
177.05399	0.2
179.03519	0.1
188.09070	0.3
272.32779	0.2
282.11975	0.9
295.11444	25.8
296.11591	0.5
368.57596	0.2
427.15057	0.2
427.20419	0.6
451.66974	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	426.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
56.58346	0.5
58.99575	0.9
66.47074	0.4
67.05492	2.8
69.03405	0.6
69.07040	0.5
70.06573	3.9
70.68555	1.4
70.68930	0.6
70.91936	0.5
72.08147	1.1
76.02209	1.2
77.03909	0.6
79.05460	1.5
81.03384	0.6
81.07033	1.5
82.06553	0.6
84.08119	1.6
85.02885	0.8
86.06055	0.8
86.09682	1.1
91.05441	3.5
93.07031	2.6
94.06563	3.9
95.04968	0.9
95.08607	0.6
96.04505	0.5
96.08119	1.4
97.06504	2.0
99.04494	0.5
100.07607	0.6
106.06522	0.4
107.04908	0.5
108.04456	0.8
108.08106	1.0
109.05252	0.9
110.07159	0.6
110.09681	0.7
120.08085	1.0
122.02705	5.6
122.06005	46.7
124.07569	35.7
126.05481	0.9
127.03924	0.7
129.10246	1.5
136.07553	100.0
137.06064	0.5
137.07906	2.6
138.05527	0.7
138.09113	25.5
138.40038	0.5
140.07047	1.4
147.04321	0.8
148.04643	0.6
150.05475	23.4
150.07712	2.1
151.06256	0.9
152.07042	16.2
154.08615	1.0
156.04732	1.7
164.07042	68.1
165.07440	1.0
166.08595	0.6
168.04768	2.2
168.06534	4.1
170.08115	2.7
182.08093	19.4
184.09647	0.8
188.09134	0.8
193.32262	0.5
199.09029	1.5
211.09042	0.6
227.11760	1.5
233.08406	0.5
240.06537	0.7
242.08081	2.1
243.08009	1.3
245.09509	8.4
257.09521	2.0
259.14468	0.9
269.12949	1.1
287.13843	26.9
305.14896	36.0
306.15265	0.9
321.49316	0.6
337.12039	1.0
363.13745	1.3
380.16446	2.9
405.65164	0.5
408.15656	1.6
426.16858	50.0
427.16998	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	426.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35147	1.1
53.03931	1.4
55.01841	2.0
55.05488	3.6
57.03423	17.7
58.23428	1.1
59.04963	1.1
60.04504	2.6
61.02913	5.9
63.10741	1.0
67.05468	4.5
68.04993	1.3
69.03413	27.4
69.07043	3.4
70.06565	3.0
71.01330	2.2
71.04965	3.2
72.04503	8.4
72.08113	1.4
73.02900	54.4
74.02401	1.3
79.05457	3.8
81.03378	2.4
81.07050	5.4
83.04956	2.3
83.08608	1.5
84.04490	7.2
84.08116	2.6
85.02888	19.3
87.04459	2.0
88.03948	3.5
89.06033	1.0
91.05443	3.4
93.07037	8.3
95.04944	3.2
95.08600	8.6
96.04466	2.6
96.91948	1.0
97.02874	49.9
97.45463	1.0
98.06010	1.6
98.09575	1.1
98.20800	2.6
99.04410	5.0
103.03935	2.6
105.06998	4.7
107.08558	3.8
108.04507	1.1
109.10109	4.0
110.06052	1.6
111.04413	1.5
114.05492	2.0
115.03905	28.9
117.05418	1.3
119.08526	3.6
121.06476	1.5
121.10091	8.0
123.11632	1.8
126.05476	4.7
127.03904	2.9
131.08476	1.8
133.04910	8.4
133.10031	1.1
134.04414	3.7
135.11679	2.3
143.03305	1.5
144.06558	7.4
145.10016	1.7
147.07953	1.2
147.11607	1.8
149.09567	3.3
157.10065	1.3
162.07582	100.0
163.07915	1.5
193.04965	1.5
204.08673	5.5
208.47946	1.1
211.05968	17.5
212.09225	1.4
229.07088	3.4
247.08026	2.1
258.09793	6.3
276.10687	13.1
293.24725	1.5
294.11765	49.6
295.12128	1.5
336.12674	2.3
372.49060	1.1
393.73355	1.2
408.14868	2.4
426.15930	49.1
427.16254	2.0
443.67847	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3772
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05504	27.6
57.07072	27.3
59.04987	4.6
65.03920	3.1
67.05501	35.2
69.07056	34.8
71.08626	17.0
71.08946	2.5
71.13927	4.7
71.14271	4.8
74.04748	2.4
74.97874	2.2
79.05482	14.7
81.07047	54.7
81.07514	4.3
83.08614	25.7
85.10161	17.2
87.04458	5.5
89.06013	7.6
90.01898	9.5
91.05464	19.1
93.07026	46.4
95.08599	100.0
96.08903	2.6
97.06570	4.4
97.10154	8.2
99.56107	2.4
105.07018	34.2
107.08578	70.9
109.06532	3.0
109.10139	83.4
111.08038	2.8
115.06895	2.3
117.06991	3.5
119.07706	3.3
119.08557	56.2
121.10133	68.5
123.08099	3.4
123.11687	29.1
125.09549	2.7
129.07079	2.8
131.08467	5.2
133.10117	73.3
135.11667	56.5
137.13196	14.3
143.08557	4.2
145.10095	13.6
147.11653	30.2
149.13225	22.5
155.17825	2.5
159.11684	18.9
161.13243	32.6
163.14786	26.0
171.11691	6.2
173.13225	9.0
175.14772	17.4
177.16356	22.8
179.14253	6.1
185.13339	3.1
187.14771	8.6
189.16379	16.7
191.17929	34.8
201.16377	7.7
203.17921	28.2
205.19423	4.4
207.17374	5.3
213.16246	4.0
215.17909	8.5
217.19522	32.8
219.21138	3.4
227.17976	3.9
229.19498	6.5
231.21017	3.5
239.14792	3.6
245.22601	6.9
247.16896	6.0
269.22635	6.6
287.19986	20.0
287.23132	4.8
297.25946	3.4
315.26685	5.0
407.37009	23.7
425.32910	8.7
425.38342	49.2
426.38327	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	425.3769
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03922	1.9
55.01832	1.5
55.05502	16.2
57.03424	1.6
57.07056	7.2
65.03941	2.2
67.05495	34.8
69.07057	55.6
71.15595	4.4
79.05473	20.3
81.07040	100.0
83.04947	2.9
83.08607	16.5
85.06533	2.6
89.06009	2.7
91.05453	14.8
93.07024	50.4
95.04938	3.6
95.08588	94.0
97.06509	4.5
97.10144	9.2
105.07008	29.4
107.08573	59.1
109.06488	3.3
109.10135	78.5
111.08070	3.1
111.11701	24.2
117.07027	3.2
119.08558	35.5
120.96342	1.8
121.10120	44.1
123.08009	2.1
123.11681	32.5
125.09612	4.9
127.11158	3.3
131.08554	11.1
133.10104	23.9
135.11667	42.5
137.09576	4.6
137.13234	18.8
139.11153	3.2
143.08464	2.1
145.10080	16.5
147.11667	30.2
149.13229	33.6
151.11124	5.0
151.14757	3.7
153.12714	1.5
157.10132	3.3
158.10811	1.6
159.11649	16.1
161.13223	22.6
163.14789	19.1
165.12741	4.3
171.11668	5.9
173.13240	16.2
175.14809	23.5
177.12672	1.6
177.16377	17.0
184.07321	2.1
185.13251	3.6
187.14796	13.4
189.16331	17.3
191.17937	11.9
193.15857	3.3
195.17354	8.4
199.14763	4.1
201.16348	8.0
203.17894	17.6
205.15831	2.4
205.19498	5.6
207.17455	2.8
213.16327	5.7
215.17947	11.8
217.19492	15.3
219.21022	2.3
227.17943	5.9
229.19464	10.2
231.21069	7.2
233.19038	3.8
241.19612	2.7
243.20976	4.6
245.22714	2.3
255.21117	3.5
257.22617	6.8
259.24185	6.0
267.21234	1.9
269.22647	6.6
271.24188	5.0
275.23593	2.6
283.24255	4.9
285.25726	4.8
297.25797	1.9
318.24609	2.0
325.28677	7.9
331.75375	1.5
343.29901	6.3
351.30206	2.3
369.31647	2.7
407.36649	30.2
425.37720	94.4
426.38184	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	425.3769
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03929	1.8
55.05505	9.7
57.07051	3.9
64.78399	1.5
67.05178	1.6
67.05495	20.7
69.07062	20.7
79.05473	11.0
81.07043	44.3
82.18015	1.6
83.08604	9.1
86.09676	2.2
91.05453	11.0
93.07021	25.2
95.08597	74.5
97.06513	1.7
97.10133	5.3
100.17412	1.7
105.07006	19.4
106.48135	1.9
107.07865	3.5
107.08582	58.4
108.08901	1.6
109.10140	56.1
111.08044	2.4
111.11666	4.5
117.07040	1.7
119.08557	27.9
121.10126	46.1
123.11682	33.2
125.13195	3.6
131.08537	6.0
133.10110	33.8
135.11679	40.1
137.13237	14.7
145.10092	10.5
147.11670	19.9
149.13235	19.1
151.14827	3.0
157.10117	2.9
157.36751	1.6
159.11681	14.3
161.13237	14.3
163.14795	24.7
171.11700	2.9
173.13210	11.0
175.14787	16.8
177.16376	15.0
185.13277	2.4
187.14809	11.7
189.16327	14.1
191.17892	10.8
199.14674	1.9
201.16342	8.5
203.17863	11.5
205.19479	9.7
207.17392	6.9
213.16389	4.3
215.17934	6.0
217.19434	14.6
219.17577	2.3
219.21074	5.7
221.19080	2.0
227.17897	2.4
229.19482	6.7
231.21040	9.6
233.19023	2.1
238.03850	1.7
243.21021	13.5
245.22635	12.5
253.94272	1.5
255.21063	4.4
257.22479	9.8
259.24203	5.8
261.21985	2.5
269.22583	14.1
271.24210	8.9
283.24173	4.8
285.25714	6.9
287.23721	3.6
297.25705	2.7
299.27496	2.2
311.27274	5.4
315.26788	2.4
329.28302	10.1
337.29013	1.8
407.36609	28.9
425.37714	100.0
426.37967	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	425.3771
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03927	3.7
55.01866	1.7
55.05505	20.2
57.07069	13.0
65.03922	3.1
67.05492	39.3
68.95113	1.7
69.03416	3.3
69.07056	49.8
69.35578	3.9
69.35984	9.8
71.04970	3.9
71.08632	3.5
77.82275	1.6
79.05480	20.3
81.07043	96.2
82.07403	1.8
83.04973	4.5
83.08604	28.0
85.06514	2.6
89.01799	1.5
89.06010	6.0
91.05466	19.1
93.07029	63.3
95.04943	2.4
95.08591	100.0
97.06503	4.4
97.10152	19.2
99.08113	2.9
100.26464	1.7
105.07005	38.6
107.07860	4.1
107.08578	72.0
109.06490	2.9
109.10139	84.8
110.10468	2.1
111.08058	2.0
111.11709	6.1
117.06989	4.4
119.07936	1.2
119.08562	45.1
121.10125	64.8
123.08064	4.8
123.11692	40.3
125.09608	10.0
127.11214	4.2
131.08530	9.1
133.10106	32.0
135.11665	44.2
135.12691	2.5
137.09633	3.6
137.13232	16.0
139.11183	4.1
143.08524	3.0
145.10104	19.2
147.11661	56.8
149.13235	33.8
151.11171	3.8
151.14780	2.2
153.12814	2.6
155.81172	1.7
157.10156	5.4
159.11661	18.2
161.13214	26.2
163.14783	22.3
163.15884	2.1
165.12750	3.9
171.11700	6.2
173.13249	18.1
175.11156	1.6
175.14790	18.3
177.16379	17.2
179.14328	2.4
179.17969	4.4
185.13219	4.0
187.14738	12.8
189.16364	15.5
191.17941	8.7
195.17426	2.5
199.14839	3.9
201.16446	8.7
203.17923	19.0
205.19447	3.4
207.17404	2.7
213.16411	4.3
215.17946	12.0
217.19455	11.1
227.17975	6.1
229.19521	10.4
231.21040	9.7
233.18987	2.8
235.34026	2.4
239.14848	3.0
240.15196	4.1
241.19501	2.1
243.21114	5.5
245.22583	2.0
255.21048	2.5
257.22662	4.3
259.24316	2.6
269.22733	3.5
271.24176	3.6
283.24353	3.9
285.25928	2.5
294.88342	1.6
301.25201	3.0
325.28802	26.3
343.29904	19.2
351.30414	3.8
369.31345	5.5
407.36578	29.8
408.36981	2.0
425.37769	80.9
426.38055	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	425.377
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
50.58631	1.0
53.37808	1.0
53.57293	1.0
55.05501	9.2
57.07053	3.6
67.05492	21.0
67.06141	0.9
69.07054	24.4
69.19385	2.5
69.19801	8.3
71.08602	1.1
79.05074	1.2
79.05479	7.0
81.07037	46.0
83.08588	7.9
89.05975	1.2
91.05458	7.1
92.44983	1.0
93.06466	1.9
93.07021	22.5
95.04932	2.0
95.08588	75.1
96.08915	1.3
97.06488	2.2
97.10171	6.0
97.10678	0.9
98.21537	1.8
105.07005	15.7
107.08569	40.9
109.06539	1.1
109.10135	64.4
111.08012	3.0
111.11700	9.8
119.08558	27.6
121.10114	38.9
123.08020	2.4
123.11680	23.7
125.09564	1.6
130.08652	1.4
130.15878	2.2
131.08511	3.6
133.10092	21.6
135.11662	30.9
137.13225	18.3
145.10097	7.4
147.11662	19.0
149.13243	14.5
151.14807	2.9
157.10129	1.6
159.11644	8.7
161.13217	18.8
163.14783	15.2
165.12645	1.5
171.11723	1.2
173.13248	7.8
175.14778	11.7
177.16339	12.6
177.27893	0.9
179.14284	4.8
179.17879	1.7
185.13332	1.9
187.14745	6.3
189.16370	19.6
191.17923	23.2
193.19432	1.2
199.14821	2.7
201.16350	8.8
203.17903	13.7
205.15857	1.9
205.19470	13.1
207.17390	7.6
215.17908	11.8
217.19443	13.1
219.17413	2.0
219.21016	1.5
229.19473	4.0
231.21141	5.0
233.19037	4.1
241.19478	2.1
243.21056	7.1
245.22604	16.0
247.20526	11.3
255.21042	1.8
257.22693	3.6
259.24142	1.5
261.22125	5.0
269.22604	5.4
271.24094	6.9
273.25519	1.6
283.24060	2.6
285.25662	5.1
287.23499	2.3
297.25565	2.7
301.25302	2.5
311.27338	2.3
337.28632	1.5
407.36636	23.7
425.37683	100.0
426.38016	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	425.377
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.00295	1.7
53.03927	2.9
53.15051	1.7
55.05497	21.8
57.07080	8.3
57.07299	1.6
65.03925	2.3
67.05163	3.1
67.05493	41.2
69.03403	2.2
69.07056	51.3
69.33157	11.6
69.33561	4.6
71.04951	2.6
71.08627	2.5
77.45877	1.8
79.05477	26.0
81.07042	95.2
83.04977	2.2
83.08612	20.0
85.06524	6.3
89.06009	3.8
91.05459	17.0
93.07029	53.0
93.07621	3.0
95.04955	3.5
95.08588	100.0
96.08952	1.8
97.06520	6.1
97.10146	12.9
103.05378	1.8
105.07018	37.2
107.08577	69.8
109.06493	3.0
109.10138	78.6
111.08075	3.1
111.11700	17.9
113.09577	2.0
117.06984	5.3
119.08558	42.0
121.10121	53.8
123.08042	2.9
123.11678	36.0
125.09603	14.6
125.13227	2.7
127.11180	3.0
131.08533	12.8
133.10109	36.9
133.11079	3.0
135.08037	2.0
135.11674	43.7
137.09578	2.8
137.13217	12.4
139.11169	3.0
143.08568	4.1
145.10083	18.0
147.11661	35.1
149.13228	39.9
149.14357	2.9
151.11203	3.5
151.14819	4.1
153.12733	1.7
157.10107	7.7
159.11682	20.7
160.12340	2.8
161.13225	27.7
163.14807	20.4
165.09103	2.1
165.12672	2.1
171.11652	5.1
173.13252	14.6
175.14790	21.0
177.16356	16.7
185.13246	6.2
187.14745	10.6
189.16373	13.7
191.17900	10.2
193.15825	2.4
195.17432	10.9
199.14821	5.6
201.16324	9.9
203.17903	19.8
205.19481	2.9
211.14839	2.2
213.16357	4.4
215.17986	9.9
217.19550	11.6
227.17813	3.4
229.19452	9.6
231.20969	9.7
239.15071	1.9
240.15221	2.3
241.19493	4.6
243.21106	7.0
245.22676	2.9
255.21127	3.5
257.22650	5.7
259.24191	5.8
261.22089	2.3
269.22552	2.3
271.24210	6.9
283.24142	3.9
285.25708	3.4
299.27148	2.9
315.26965	2.4
325.28925	3.2
339.30472	2.8
343.29944	5.2
351.30695	4.2
355.29962	2.0
369.31488	2.3
407.36694	24.9
408.36807	2.3
425.37741	96.4
426.38010	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	425.0471
Annotation	Unknow
Peak:m/z	Relative Intensity
59.57440	7.5
60.12730	7.8
66.66747	7.2
69.38389	6.7
69.49345	7.9
70.44144	28.1
70.44492	9.1
72.25237	7.0
101.00867	13.5
119.01886	29.7
129.66788	7.9
130.08646	13.8
131.01874	9.8
138.62262	7.2
141.94240	7.3
143.01840	16.6
155.01872	10.7
161.02924	63.6
173.02943	14.0
185.02921	36.8
197.02927	14.0
203.03912	15.6
215.04135	9.8
215.33374	7.5
218.49495	8.5
222.52670	7.1
227.04059	12.4
245.05029	100.0
263.06140	19.9
275.06003	8.5
305.06970	10.6
309.01282	8.6
425.04355	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	425.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	6.0
57.07066	100.0
59.04992	24.3
67.05498	6.2
68.66500	1.0
69.07058	7.9
69.27300	12.6
71.08620	93.2
72.05754	1.2
72.08972	1.1
73.02914	1.1
74.38390	1.2
76.19606	1.2
79.05493	3.1
81.07045	13.0
83.08591	8.6
84.30321	1.1
85.10168	89.3
86.10455	1.7
87.04456	5.0
89.06012	5.9
90.01913	8.7
91.05476	3.2
93.07024	10.4
93.23174	1.0
95.04965	1.3
95.08595	19.7
97.10135	4.4
99.11714	15.4
103.07575	1.9
105.07022	6.7
107.08584	15.5
109.06522	1.5
109.10140	15.6
111.11682	2.4
113.00003	1.1
113.13297	3.9
117.09132	5.8
119.08582	12.9
121.10118	16.8
123.11671	6.8
125.13290	1.2
130.08553	1.4
131.08556	1.9
133.08621	1.5
133.10089	17.4
135.11681	15.1
137.13257	3.3
141.16353	4.7
145.10155	2.8
145.79741	1.1
147.11667	5.9
149.13219	6.6
151.14803	1.3
155.17876	6.5
159.11674	3.7
161.13242	6.4
163.14755	6.0
175.14787	3.5
177.16376	3.9
178.07184	1.4
187.14760	1.9
189.16370	3.9
190.63310	1.4
191.17944	7.5
196.08202	1.8
199.20609	5.7
201.16432	2.3
203.17871	6.3
207.17343	1.5
213.22168	6.9
215.17982	2.3
217.19489	6.4
219.21042	1.3
223.50957	1.1
229.19487	1.7
231.21027	1.5
239.14874	1.5
240.15305	1.4
257.24741	4.3
287.19955	3.1
407.36417	5.2
408.28973	1.5
425.22000	1.3
425.32819	2.2
425.38373	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	424.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34018	1.0
55.05490	1.0
57.07066	94.8
59.04989	33.1
67.05495	1.6
69.07053	3.6
69.22524	12.2
71.08620	100.0
72.08955	1.3
79.05503	1.2
81.07047	2.2
83.08606	3.1
85.10168	89.0
86.10518	1.6
87.04472	1.6
89.06019	24.7
93.07085	1.4
97.10149	1.4
98.21531	2.0
99.11711	13.2
101.09650	3.4
103.07569	4.1
104.26579	1.0
105.07103	1.0
107.08572	1.3
109.10146	1.5
117.09104	7.5
131.06979	1.4
133.08586	21.4
141.16345	11.7
151.09621	10.2
191.12727	13.6
199.20540	28.1
209.13823	11.3
225.16420	1.1
239.14851	8.3
240.23048	1.6
249.17006	4.9
257.24722	18.6
267.17880	1.3
268.44156	1.1
349.29266	1.7
361.45038	1.4
407.33606	16.8
415.66376	1.4
425.21625	8.8
425.27386	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	424.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42842	0.8
55.05489	1.2
57.07064	100.0
58.07383	0.8
59.04991	11.3
59.52518	0.7
60.12033	0.8
64.05044	0.9
69.07052	1.4
69.45096	6.3
71.08619	72.8
72.08919	1.1
77.03906	0.7
83.08614	1.6
85.10168	63.5
86.10478	1.0
87.04430	1.4
89.06012	40.5
95.08566	0.9
97.10152	2.0
98.20869	1.7
99.11713	13.1
100.93615	0.8
103.07568	3.2
107.07072	1.0
109.17390	1.0
113.13261	5.3
121.10187	0.9
130.08632	0.9
131.07028	2.2
133.08592	15.2
151.09659	0.9
155.17915	11.9
177.11185	26.7
177.12682	1.7
178.11455	1.4
195.12239	26.4
213.22101	11.8
235.15395	5.8
239.14917	2.0
253.16335	2.2
257.24734	3.7
280.95319	0.8
407.33569	15.9
408.33966	1.6
424.34387	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85580	1.1
55.05492	4.2
57.03414	1.4
57.07064	95.9
57.97907	1.1
58.99027	1.1
59.04989	20.9
67.05488	6.3
67.42226	1.0
69.03413	2.3
69.07049	4.3
71.08617	98.3
73.06534	1.8
77.06023	2.7
79.05477	4.3
81.03407	1.8
81.07042	7.1
82.07392	1.8
83.08588	4.3
84.08128	1.1
85.10165	100.0
86.10477	1.8
87.04440	11.6
89.06011	25.9
91.05460	4.2
93.07032	5.0
94.07386	1.7
95.08591	4.0
96.08907	2.1
97.10168	2.4
99.11724	13.7
103.03918	32.1
103.07551	4.5
105.07025	2.2
107.07013	1.3
109.06487	1.6
109.10118	1.3
111.11692	2.2
117.07030	1.9
117.09142	1.4
119.08582	2.8
120.08869	1.6
121.10121	2.7
131.08563	1.3
133.08574	14.4
133.10081	1.6
141.16325	13.1
147.06497	2.2
147.10139	2.2
148.11960	1.5
151.09628	1.5
157.10068	1.3
163.09644	10.1
177.11220	2.3
191.09081	10.4
195.12166	2.1
199.20532	21.4
209.10152	21.9
216.67964	1.4
230.61949	1.4
239.14848	13.5
243.23045	2.1
249.13243	2.9
253.12729	1.6
257.24722	2.1
267.14603	1.8
370.24515	1.6
388.25418	2.3
406.26538	2.2
407.29156	3.1
407.34174	11.7
413.06952	1.7
424.31827	3.4
425.18054	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24758	1.2
55.05500	11.3
57.03424	2.1
67.05492	3.7
69.03406	4.8
69.07047	3.8
70.06564	2.4
71.04958	3.3
71.23837	2.5
71.24177	1.9
72.08120	1.2
74.22420	1.3
77.80415	1.2
79.05501	2.8
81.03398	2.3
81.07051	9.7
83.04965	11.1
83.08617	10.2
84.08125	4.5
85.02881	11.1
85.06532	1.8
86.09679	2.7
91.05447	4.4
93.07008	7.2
95.04951	11.3
95.08579	6.3
97.02850	4.1
97.06506	5.0
97.10150	2.9
99.04440	2.9
99.08079	1.9
105.07002	7.4
107.08565	11.8
109.02836	2.2
109.06483	14.1
109.10140	15.6
110.05991	1.5
111.08067	4.6
113.09708	1.5
115.07537	2.2
119.04964	2.4
119.08547	4.1
120.08099	1.4
121.02821	1.5
121.10121	14.9
123.08089	2.3
123.11677	4.1
124.07565	1.3
125.09594	4.2
126.09122	1.8
127.03880	3.6
130.08649	1.4
131.08554	3.7
133.10107	25.3
135.08011	4.8
135.11647	5.6
137.05968	2.1
139.03889	1.7
139.11142	3.3
145.04950	1.7
145.10086	2.4
147.04379	5.9
147.11632	5.4
149.09666	1.6
149.13243	6.3
151.11168	17.3
153.09109	8.4
154.08614	1.4
163.14804	5.1
164.07043	1.6
167.14261	13.3
173.13217	19.2
175.14775	1.4
177.05403	3.5
180.08746	1.4
181.15773	1.2
191.12654	2.1
191.14278	25.2
192.14711	1.5
206.93372	1.2
209.15327	100.0
210.15776	2.2
221.79788	1.3
227.16373	15.5
256.60794	1.3
364.48798	1.2
393.06693	1.2
424.16666	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	423.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41243	0.4
53.03938	0.8
55.01849	0.6
55.05500	5.2
57.03413	2.2
57.07050	1.7
67.05495	8.5
69.03410	1.5
69.07058	8.7
71.04962	1.5
71.08601	1.5
73.33773	0.4
78.29688	0.5
79.05482	6.6
81.03407	0.9
81.07037	12.0
83.04948	1.2
83.08601	3.2
85.02866	1.0
85.06514	2.0
91.05477	3.8
91.19724	0.5
93.07028	9.1
95.04934	1.2
95.08588	12.0
97.06503	2.1
97.10136	1.2
99.08061	0.6
105.07011	5.4
106.65210	0.5
106.68327	0.5
107.08580	7.4
109.06499	8.0
109.10139	5.8
111.08046	2.4
117.07008	1.8
119.07800	0.6
119.08563	6.7
121.06470	0.8
121.10126	5.7
123.08044	39.4
123.11686	1.7
124.08365	1.1
125.09561	0.7
131.08537	2.7
133.10120	5.4
135.08034	6.1
135.11655	4.0
137.09613	3.1
137.13239	1.1
143.08571	0.5
145.10110	3.4
147.11681	4.5
149.09599	1.9
149.13228	2.0
151.11139	0.8
155.08498	0.7
159.11646	3.3
161.09601	0.5
161.13234	2.4
163.11162	1.3
163.14763	0.9
165.12775	0.8
167.14285	0.9
171.11600	1.0
172.56975	0.5
173.13249	1.7
175.14783	1.4
177.12737	3.5
179.14259	17.5
185.13168	1.1
187.14828	0.8
193.15828	0.6
201.16385	0.5
205.15849	0.9
233.19031	1.1
246.08128	0.7
247.20454	1.6
259.20633	0.9
261.22055	1.2
263.20081	1.4
275.20050	4.1
289.25342	1.1
293.20944	2.7
303.23395	1.0
303.26794	3.7
307.22461	0.5
313.25125	0.9
331.26236	23.2
332.26770	1.7
341.24908	0.6
349.27295	5.1
362.81033	0.6
367.24744	1.7
369.24161	1.1
387.25217	1.5
405.26212	1.6
405.30722	0.8
423.30988	100.0
424.31317	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	423.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.2
55.01858	1.5
55.05501	5.5
57.03428	2.5
57.07058	1.8
61.32290	0.5
67.05493	8.6
69.03414	1.9
69.07050	6.2
70.72744	1.0
70.73112	1.0
71.04978	2.0
71.08613	1.6
73.02924	0.5
79.05474	6.3
81.03420	0.9
81.07041	12.8
82.07336	0.5
83.04964	0.9
83.08605	3.8
85.06511	1.2
91.05447	3.1
93.07024	8.6
95.04928	1.1
95.08591	10.6
97.02865	2.9
97.06493	1.8
97.10125	0.8
99.04430	2.5
99.08070	1.3
105.07014	5.3
107.08582	7.2
109.02885	1.1
109.06491	8.7
109.10133	4.6
111.08050	1.9
117.06995	1.2
119.08543	6.1
121.10134	5.7
123.08045	37.8
123.11672	2.4
124.08386	0.6
125.09557	0.6
127.03897	1.7
130.37375	0.5
131.08563	1.5
133.10095	3.2
135.08023	5.6
135.11652	3.0
137.09552	2.4
137.13216	0.8
143.08466	0.6
145.10117	2.3
147.11650	2.3
149.09605	2.3
149.13205	2.5
151.11057	0.6
159.11629	2.8
161.13252	2.0
163.11198	0.8
165.12791	1.0
167.14272	0.9
173.13249	1.9
175.14822	1.0
177.12708	2.8
177.16325	0.7
179.14276	29.6
180.14612	1.0
187.14789	0.7
193.15810	1.2
205.15862	1.1
233.18933	0.9
247.20512	0.9
254.07230	0.5
261.22095	1.6
263.19998	1.5
275.20065	3.3
289.25244	1.1
293.21274	2.4
303.26666	2.5
313.25464	0.8
331.22296	1.1
331.26260	22.3
332.26553	1.4
349.27390	6.3
367.24680	1.2
405.29953	1.2
423.30975	100.0
424.31296	5.3
426.67691	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.6
53.03928	2.7
53.13767	0.5
55.01859	5.0
55.05499	14.6
57.03427	4.1
57.07063	4.8
59.04979	2.1
61.02903	0.5
65.03917	2.5
67.05489	45.1
68.05012	1.9
68.05829	1.0
69.03066	1.0
69.03415	11.4
69.06675	0.9
69.07049	16.4
70.06564	0.7
71.01340	2.1
71.04977	5.5
71.08620	3.6
71.54295	1.0
72.08121	0.6
73.02894	2.6
77.03866	0.7
79.05472	40.5
80.05004	1.5
80.05793	0.7
81.03398	11.4
81.07037	55.1
82.07375	1.7
83.04969	2.7
83.08599	8.5
84.08138	0.6
85.02890	3.4
85.06525	2.8
89.06027	0.6
91.05457	27.0
92.05771	0.8
93.07021	51.5
94.07363	1.4
95.04958	6.6
95.08585	42.5
96.08906	1.3
97.02868	39.3
97.06493	4.2
97.10145	2.8
98.03237	0.8
98.06039	5.8
99.04434	12.4
99.06369	1.4
99.08056	3.2
101.02368	1.2
103.05452	0.6
105.07007	20.2
107.04913	1.0
107.08568	26.1
108.08897	0.7
109.02855	7.3
109.06493	14.5
109.10125	17.4
110.10479	0.7
111.04434	1.3
111.08032	3.0
111.11690	1.0
113.09599	0.7
115.03935	0.5
115.05414	1.0
117.06986	9.1
119.08553	18.3
121.06482	2.0
121.10113	30.0
122.07260	1.0
122.10435	1.0
123.08039	36.8
123.11674	7.7
125.05946	1.0
125.09601	1.9
127.03885	17.7
128.06171	0.7
129.06950	2.8
130.08640	0.6
131.04907	1.8
131.08539	14.8
133.09093	0.9
133.10101	15.4
135.08029	7.0
135.11658	16.1
137.09560	3.6
137.13155	2.6
137.36067	0.5
139.11183	0.9
141.06964	0.7
143.08510	2.9
144.06519	8.5
144.09438	0.5
145.04935	2.5
145.06750	2.7
145.10088	11.3
145.11243	0.5
147.08054	0.8
147.11659	9.8
149.09560	3.8
149.13219	8.6
151.11179	1.4
153.12700	1.2
155.08554	1.3
157.06496	0.7
157.10077	2.6
159.08015	1.0
159.11656	10.8
161.09613	1.9
161.13211	7.1
162.07654	2.2
163.07816	0.8
163.11154	1.5
163.14757	3.0
165.12744	2.1
165.16402	0.6
167.08574	0.6
167.14287	1.0
169.10075	1.1
170.04736	0.7
171.07950	0.6
171.11691	2.8
173.09613	1.3
173.13202	8.7
175.11127	0.8
175.14789	4.1
177.12711	3.3
177.16385	1.1
179.14267	45.7
180.14566	1.2
183.11584	1.5
185.13315	1.6
187.11151	0.8
187.14769	3.9
189.16417	1.0
191.10672	1.1
191.14339	1.3
193.15889	1.9
197.13242	1.6
199.14810	1.2
201.12756	1.1
201.16316	1.8
203.18033	0.7
205.15871	1.8
209.13193	1.0
211.14760	0.9
213.12715	0.8
213.16394	0.9
215.14417	0.8
215.17932	0.7
217.12247	0.8
219.17253	0.8
223.15080	0.7
227.14156	0.7
229.15891	0.9
231.13896	0.6
233.18983	1.4
241.19563	0.8
243.21049	4.9
247.20555	0.9
255.21211	0.8
259.20581	4.1
261.22095	22.8
262.22501	1.8
263.20102	1.2
266.02521	0.7
273.22119	1.7
275.20078	2.9
277.21765	1.3
279.23151	0.7
285.22177	0.6
287.23672	1.2
289.25375	1.0
293.21112	2.2
303.23834	0.6
303.26791	3.2
311.23685	1.8
313.21725	0.8
313.25134	1.1
321.22235	0.7
329.24680	2.7
331.22284	1.3
331.26233	24.1
332.26657	1.8
339.23227	2.9
349.27274	7.6
357.24118	5.9
367.24890	0.7
369.24213	1.7
371.75989	0.5
387.25110	0.6
405.25702	1.2
405.30136	1.7
423.31021	100.0
424.31351	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	423.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24690	2.6
53.03928	8.0
55.01847	3.7
55.05501	22.4
57.03415	10.0
57.07059	5.0
67.05492	76.3
69.03413	28.8
69.06478	2.6
69.07055	24.5
70.43132	2.3
71.04967	8.2
71.08611	3.0
79.05476	50.4
81.03410	28.3
81.06572	5.2
81.07042	84.8
83.04951	10.3
83.08622	11.8
84.07615	5.3
84.08126	100.0
85.02894	20.1
85.06503	5.4
85.08456	32.7
91.05459	39.9
93.07024	66.2
95.04955	13.8
95.08591	56.5
97.02871	40.8
97.06505	8.5
97.10143	5.9
99.04433	6.3
99.08047	5.3
102.09135	5.9
103.03903	2.7
103.05482	2.5
105.07012	40.1
107.04922	3.0
107.08572	37.9
109.02862	4.5
109.06503	15.0
109.10145	29.8
111.04420	7.1
111.08089	5.7
117.06999	23.9
119.08564	32.3
121.06529	5.6
121.10103	30.6
123.04412	2.5
123.08031	23.7
123.11678	10.4
125.09586	3.2
127.03854	8.2
129.05423	3.2
129.06946	9.2
130.08597	3.5
131.08542	29.5
133.06453	3.4
133.10100	26.1
135.08011	10.1
135.11661	21.0
137.09619	3.2
141.06937	3.4
143.08534	13.6
144.10164	38.5
145.10172	24.7
147.08040	6.3
147.11673	18.3
149.09619	5.8
149.13211	17.8
155.08533	7.1
157.10075	9.9
159.11696	19.5
161.09564	5.6
161.13214	15.9
162.11223	4.9
163.11371	4.1
163.14833	4.8
169.10089	6.4
170.30304	2.6
171.11624	8.8
173.09583	4.7
173.13213	12.8
175.11130	4.7
175.14784	5.7
177.12692	3.6
179.14270	28.1
183.11539	3.8
185.09641	3.4
185.13237	4.9
187.11171	4.0
187.14734	7.2
193.15758	3.1
195.11728	3.0
197.13176	4.7
199.14819	4.0
201.16418	2.4
203.14325	3.3
213.12883	2.7
213.16425	4.1
227.14227	2.9
230.15524	3.5
243.21010	6.4
259.20450	9.9
261.22141	20.9
273.21909	5.4
275.19946	5.6
277.21518	7.1
285.22021	4.2
289.21664	6.3
290.14774	2.8
291.22919	3.5
301.21481	6.3
303.23047	10.0
303.26477	3.3
315.23163	5.8
319.22586	3.9
327.23209	3.7
331.26337	13.6
341.24484	3.0
345.24271	4.2
349.27341	4.3
351.23068	7.3
357.24149	3.2
369.24097	20.0
387.25156	21.4
405.26248	28.9
423.31784	65.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89656	2.7
52.16714	3.1
53.03934	5.6
55.01857	6.2
55.05500	35.1
57.03418	6.4
57.07066	16.5
59.04975	3.4
67.05498	55.6
69.03426	26.3
69.07069	33.7
69.10593	2.8
70.07372	2.8
70.10693	3.1
70.23000	13.6
71.01320	3.8
71.04976	6.1
71.08620	9.1
72.08959	3.3
73.02893	3.3
79.05479	43.8
81.03405	24.5
81.07037	81.0
83.04973	21.0
83.08609	18.0
85.02879	13.0
85.06519	6.2
85.10160	7.3
89.05973	3.3
91.05475	35.3
93.07025	55.8
95.04954	12.5
95.08594	67.5
97.02865	8.6
97.06498	10.4
97.10136	7.4
99.04476	4.0
99.08076	5.1
103.03896	3.0
103.05489	2.9
105.07017	39.2
107.04928	5.1
107.08578	43.2
109.02877	6.6
109.06512	21.4
109.10143	33.3
111.04419	8.2
111.08050	9.7
112.99986	8.7
117.06982	16.7
119.08569	45.5
119.09380	5.6
121.06465	8.7
121.10121	31.6
123.04366	4.0
123.08061	35.3
123.11679	16.7
127.03889	4.1
129.06987	10.1
131.08543	24.9
133.06500	6.7
133.10098	32.7
135.08025	10.0
135.11670	22.5
137.05882	2.9
137.09547	5.7
137.13206	5.4
143.08543	12.8
145.10077	28.4
147.11667	29.3
149.09557	5.2
149.13214	18.1
151.07538	3.6
151.11209	5.0
155.08543	6.8
157.10036	14.5
159.08086	5.5
159.11641	23.8
161.13239	16.5
163.14838	8.4
165.12633	3.7
169.02568	5.6
169.10106	6.2
171.11673	11.8
173.13234	16.8
175.11198	4.3
175.14813	10.2
177.12677	5.9
177.16379	3.9
179.14278	85.2
183.11606	5.5
185.09601	3.4
185.13222	8.7
187.14778	11.7
189.16261	5.4
197.13174	4.8
199.11139	4.9
199.14751	5.3
201.16336	3.8
203.17870	3.2
205.15813	5.4
213.16499	4.8
225.78619	3.4
227.19974	4.3
228.20334	7.4
243.21162	4.4
249.14624	3.7
255.21008	3.0
259.20477	6.6
261.22162	14.1
262.75369	2.9
273.22107	5.3
277.21500	7.2
279.23087	4.0
289.21503	3.5
289.24734	3.0
291.23184	6.6
294.89966	3.5
301.21484	5.8
303.23132	15.0
311.25659	4.5
319.22482	4.5
327.23193	4.6
331.26166	24.9
334.27350	6.2
339.81686	3.1
341.24612	3.9
345.23856	4.8
349.27200	5.4
351.23151	9.9
358.75763	3.3
359.25784	3.8
369.24121	18.6
377.26688	3.4
387.25266	30.9
401.25534	3.5
405.26178	29.1
405.34631	4.8
423.31326	100.0
423.36121	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2733
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
51.02376	2.1
51.97972	2.0
53.03929	10.2
54.01470	1.8
55.01863	9.3
55.05503	37.5
56.29085	1.8
57.03429	11.5
57.07059	5.8
59.03441	1.7
61.02895	2.1
65.03928	4.9
65.53566	1.7
67.05496	98.9
69.03421	31.7
69.07057	33.6
69.36842	12.5
69.37267	6.1
71.01341	4.0
71.04982	9.5
73.02905	3.0
79.05484	74.8
81.03403	47.9
81.07041	100.0
83.04970	12.9
83.08611	14.9
85.02901	21.7
85.06504	2.3
91.05468	66.9
92.05791	2.2
93.07030	88.8
95.04958	19.7
95.08595	76.5
97.02876	14.1
97.06514	8.5
97.10162	10.5
99.04456	12.4
99.08067	6.1
103.03938	3.2
105.07018	57.1
107.04936	8.0
107.08575	53.8
109.02843	5.8
109.06479	9.8
109.10138	34.3
111.04449	11.8
111.08056	5.0
113.09647	2.6
115.05431	4.5
117.05473	2.4
117.07008	27.9
119.08559	51.3
119.86077	2.6
121.06494	7.9
121.10121	48.6
123.04423	3.7
123.08061	11.7
123.11649	10.0
123.89288	2.0
125.09615	3.7
127.03914	6.0
128.06223	3.0
129.05495	9.3
129.06956	20.6
131.08546	49.9
133.06450	4.6
133.10106	36.6
135.08029	6.8
135.11681	31.0
137.09654	3.7
139.11168	3.4
141.06963	6.0
142.07782	4.8
143.08534	15.8
145.06470	5.1
145.10088	32.8
147.08040	7.4
147.11655	32.9
149.05986	3.0
149.09610	7.8
149.13229	16.9
151.07582	2.7
151.11148	4.2
155.08566	5.6
156.09242	4.3
157.06557	3.1
157.10100	17.3
159.08028	4.4
159.11667	26.7
161.09558	5.0
161.13231	18.6
163.11209	3.5
163.14795	8.1
167.08501	2.5
169.10075	9.8
171.08080	3.4
171.11668	13.5
173.09634	3.8
173.13228	24.7
175.11197	3.3
175.14796	5.8
177.12645	3.1
177.16249	3.8
179.14323	4.8
181.10135	4.7
183.11650	5.9
185.09569	4.7
185.13206	11.6
187.11128	3.7
187.14778	11.6
189.12733	5.2
189.16341	2.5
191.14307	3.4
193.12169	2.6
195.11714	3.0
197.09589	3.3
197.13190	6.4
199.11258	4.0
199.14784	9.9
201.12730	4.1
201.16423	3.0
203.14278	2.6
205.12259	2.3
209.13228	4.4
213.12738	3.6
213.16428	3.3
225.12669	2.7
225.16277	2.3
227.14308	3.5
231.17342	3.0
233.22641	2.5
239.14200	2.9
241.19510	6.6
243.21083	8.8
247.16913	2.9
249.14870	4.5
259.17792	2.5
259.20450	14.0
261.22095	34.6
271.20560	5.4
273.22092	5.6
275.23593	2.7
277.21506	9.4
285.21838	3.4
289.21570	7.7
291.23145	5.8
297.22122	2.8
301.21674	5.2
303.23105	15.9
313.21545	3.4
315.23135	7.0
323.23563	2.2
327.23105	6.0
331.22626	3.7
331.26242	2.2
341.24619	4.1
345.24280	5.9
351.23093	13.1
357.24304	2.8
359.25552	2.7
369.24234	41.0
372.38068	2.2
387.25244	37.2
405.26315	41.9
423.27026	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	423.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	10.0
55.01866	10.5
55.05507	27.0
57.03426	5.0
57.07071	3.3
64.92564	2.0
65.03924	3.3
67.05498	91.8
69.03142	1.9
69.03421	22.4
69.07055	25.6
69.76315	13.7
71.01355	5.3
71.04988	12.7
73.02884	6.1
79.05015	2.3
79.05484	77.8
81.03405	25.0
81.07047	92.7
83.04951	6.0
83.08622	14.9
83.13796	1.9
85.02890	6.9
85.06531	3.3
91.05473	46.6
93.07032	96.7
95.04952	8.5
95.08598	74.5
96.08893	2.0
97.02880	100.0
97.06517	4.4
97.10145	7.7
99.04454	29.4
101.02379	2.4
105.07016	45.7
107.04951	3.9
107.08582	48.7
109.02864	18.6
109.06498	6.7
109.10138	31.7
111.04419	2.9
111.08096	2.7
117.06980	16.3
119.08572	33.9
121.06433	2.3
121.10133	57.0
122.10361	2.3
123.08074	11.8
123.11720	9.7
125.09601	4.9
127.03911	41.2
127.14872	2.0
129.06993	5.0
131.04903	3.6
131.08553	31.1
133.10103	26.2
135.07976	2.4
135.11671	37.3
137.13232	4.1
141.06990	2.5
143.08539	5.5
145.04950	5.6
145.06447	4.8
145.10104	28.1
147.08040	2.4
147.11662	21.6
149.09612	5.1
149.13249	19.2
151.11143	1.9
155.08501	2.8
157.10101	4.0
159.08031	3.4
159.11684	19.8
161.13242	16.3
163.14815	5.9
167.14351	2.2
169.10127	2.3
171.07956	2.3
171.11713	5.6
173.09535	2.5
173.13226	18.1
175.14783	5.2
177.16504	2.0
178.43317	2.0
179.14331	12.3
185.13290	3.9
187.11198	3.4
187.14790	8.2
193.15810	3.3
199.14838	3.4
201.12744	2.6
213.12715	2.4
215.17819	2.7
227.14240	3.7
241.19478	2.6
243.21072	11.1
259.20511	11.5
261.22107	57.7
273.22119	5.8
293.15454	2.4
311.23715	5.4
313.21558	3.1
329.24612	7.7
331.26364	4.1
339.23157	7.6
357.24222	15.5
423.31586	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	423.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	3.2
53.03934	6.7
53.10262	3.2
55.01858	9.9
55.05503	34.8
57.03411	8.3
57.07056	9.3
58.09124	2.9
65.03919	5.9
67.05493	97.9
69.03415	29.0
69.07059	39.6
69.32269	29.1
71.04972	10.0
71.08607	4.2
73.02878	3.7
77.03894	3.1
79.05483	63.3
81.03408	38.5
81.07043	100.0
83.04974	16.9
83.08601	17.0
85.02882	13.4
85.06514	5.3
91.05475	58.9
93.07030	70.2
95.04943	19.1
95.08595	80.6
97.02882	14.7
97.06507	12.9
97.10157	9.5
99.04432	9.1
99.08083	7.2
103.03970	4.0
105.07011	64.0
107.04947	9.7
107.08575	57.3
109.02860	12.5
109.06496	22.4
109.10139	44.3
111.04447	9.7
111.08054	10.3
115.03873	5.1
115.05500	3.5
117.06993	27.7
119.08562	54.0
121.06482	7.8
121.10124	42.0
121.10951	4.8
123.04375	6.9
123.07192	5.3
123.08035	42.2
123.11681	9.8
127.03910	6.7
128.06206	3.5
129.05475	4.2
129.06967	11.9
131.08548	40.6
133.06451	8.4
133.10104	36.0
135.08029	15.0
135.11682	26.2
137.09593	3.8
137.13179	3.4
139.11115	4.9
141.06927	5.9
143.08525	13.6
145.06529	4.9
145.10100	30.5
147.08026	10.4
147.11623	27.3
149.09563	8.4
149.13235	17.9
155.08528	13.1
157.10109	15.4
159.08029	5.1
159.11664	28.2
161.09619	6.7
161.13242	14.3
163.11156	5.3
163.14774	7.4
165.12732	5.1
167.14253	3.8
169.10126	10.1
171.11685	19.1
173.09648	5.4
173.11890	3.6
173.13159	15.7
175.11118	7.1
175.14854	5.2
176.92033	3.5
177.12726	6.0
179.08492	4.0
179.14290	48.7
181.10057	4.3
183.11630	7.3
185.13235	10.3
187.11104	5.9
187.14813	8.7
189.12811	3.9
189.16330	4.0
195.11708	3.1
195.13770	3.5
197.13255	5.5
199.11174	4.4
199.14790	9.0
203.14362	4.0
205.15762	3.3
211.14784	3.7
213.16339	7.0
225.16380	4.0
234.04160	3.3
241.19626	4.1
243.21045	4.6
259.20566	14.2
261.22098	19.2
269.19559	3.0
273.22003	7.1
275.20004	8.7
277.21771	7.1
279.23215	3.5
285.22147	4.0
289.21570	10.0
291.23218	8.3
297.22150	3.3
301.21588	8.9
303.23102	24.7
303.26581	5.4
313.21545	4.5
315.23029	6.4
317.24551	3.5
319.22620	7.0
323.23444	3.3
327.23032	3.7
331.26263	27.9
341.24734	12.1
345.24063	5.6
349.27454	5.4
351.23135	13.0
359.25864	6.7
369.24167	41.4
387.25272	46.3
405.26172	51.4
423.31598	99.8
445.13315	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	423.2733
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
53.03936	7.6
55.01855	10.9
55.05500	39.7
57.03425	8.8
57.07064	9.6
58.02989	3.6
67.05499	80.5
69.03421	40.6
69.06795	3.1
69.07064	37.8
69.21765	3.7
71.01324	5.0
71.04977	8.1
73.02878	6.8
76.04215	3.1
79.05483	68.3
81.03410	48.5
81.07047	100.0
83.04964	15.5
83.08611	19.0
85.02879	16.6
85.06522	8.1
91.05466	47.9
93.07032	88.1
95.04945	22.9
95.08597	84.0
97.02895	20.0
97.06507	8.9
97.10139	9.1
98.20773	13.4
99.04446	9.6
103.03948	6.6
105.07015	50.0
107.04956	9.5
107.08579	53.0
109.02846	5.7
109.06542	9.6
109.10133	35.3
111.04421	15.3
111.08058	6.5
112.99957	8.2
115.03922	4.9
117.07002	30.0
119.08569	57.6
121.06493	10.5
121.10130	48.4
123.08024	8.0
123.11687	15.4
125.09598	7.4
127.03902	4.9
128.06192	7.4
129.05502	5.2
129.06979	19.7
130.07770	5.3
131.08546	43.5
133.06503	6.0
133.10117	41.1
135.08020	7.2
135.11702	25.6
137.09618	7.8
137.13182	5.0
143.08569	20.4
145.06444	5.3
145.10091	39.8
147.08025	5.2
147.11664	29.4
149.09630	6.0
149.13235	18.5
151.03934	4.2
151.07516	6.0
155.08527	8.3
157.10109	16.9
159.11668	31.2
161.09590	8.4
161.13210	24.9
163.11142	5.7
163.14822	7.7
168.09343	4.3
169.02603	13.2
169.10117	9.8
171.08047	4.0
171.11699	17.7
173.09567	3.9
173.11900	3.9
173.13211	23.0
175.11093	9.6
175.14743	7.2
177.12718	5.7
179.14241	6.2
181.09993	6.0
183.11690	9.0
185.13200	10.7
187.11151	3.8
187.14790	5.2
189.12750	5.1
195.11653	4.1
197.13225	6.7
199.14828	7.3
201.12862	5.1
213.16315	4.3
215.14342	5.1
229.27893	4.3
235.16855	4.9
238.71965	3.9
241.19415	7.1
243.13847	4.2
253.19540	6.2
259.20615	19.2
261.22101	16.4
273.22092	8.7
275.23666	4.5
277.21606	11.4
285.22150	7.1
289.21265	4.5
291.23077	9.7
291.27820	4.2
301.21597	12.2
303.20151	4.7
303.23087	24.7
309.22034	4.1
311.25739	15.7
313.21307	4.4
315.23148	7.5
319.22440	9.3
325.21008	4.4
327.23059	10.5
341.24640	8.1
345.24020	8.8
351.23111	14.9
369.24146	52.1
387.25156	53.9
405.26227	55.1
423.27072	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2731
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
53.03948	8.0
55.01868	7.4
55.05501	41.4
57.03415	11.1
57.07048	6.8
60.99300	3.2
65.03916	4.7
67.05495	91.7
69.03420	35.9
69.07056	32.4
71.01339	6.1
71.05005	6.3
73.02906	8.1
79.05476	73.6
81.03405	53.8
81.07041	100.0
83.04958	15.5
83.08593	13.0
85.02910	19.3
85.06525	6.9
87.03741	3.2
91.05469	67.9
93.06464	7.1
93.07022	93.1
95.04919	17.6
95.08590	80.6
97.02872	14.2
97.06503	8.9
97.10145	7.5
98.06831	3.4
99.04437	12.4
99.08076	4.6
105.07014	55.3
107.04917	10.0
107.08578	54.3
109.02836	5.9
109.06497	12.7
109.10149	43.1
111.04403	11.5
111.08068	5.4
117.07002	38.0
119.08567	52.6
121.06475	12.8
121.10120	55.7
123.04356	4.7
123.08048	6.6
123.11681	10.1
127.03892	8.3
129.05502	7.2
129.07004	21.3
131.08546	48.3
133.06468	6.8
133.10110	43.5
135.08089	4.0
135.11670	30.0
137.09525	4.4
137.13243	4.0
137.24484	3.7
141.06926	3.9
142.07823	4.4
143.08534	19.2
145.06453	7.1
145.10097	31.8
145.15179	3.2
147.08003	4.6
147.11658	33.3
149.09619	6.0
149.13216	21.8
151.11116	4.4
152.71474	3.1
155.08507	11.9
157.10114	19.0
159.08118	5.1
159.11627	28.1
161.09573	7.3
161.13310	17.2
163.11121	7.2
163.14793	8.5
169.10049	12.9
171.08026	5.1
171.11626	18.8
173.13213	27.1
175.07544	3.6
175.14804	6.4
177.12741	5.2
181.10086	4.6
183.11588	10.8
185.09508	4.7
185.13203	10.5
187.14804	9.8
189.12628	5.0
195.11713	3.8
197.13176	8.7
199.14807	11.7
201.12723	5.1
201.16364	3.7
209.13277	5.0
211.14760	5.3
213.12648	4.5
215.14214	4.8
241.19473	6.9
243.20929	4.7
259.20514	14.9
261.22116	30.4
273.22220	8.2
275.20547	3.9
277.21643	13.2
285.22067	6.1
287.20074	3.5
289.21542	8.7
291.23105	7.0
297.21762	4.1
301.21494	6.0
303.23145	20.2
314.33722	3.9
315.23120	10.1
319.22629	8.3
327.23074	8.9
341.24814	4.8
345.24146	7.4
351.23047	11.6
357.24240	5.0
359.25620	6.2
369.24091	45.3
387.25229	39.9
396.81946	3.5
405.26270	56.4
423.27249	32.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05480	0.8
56.05017	0.4
58.99572	0.2
67.05476	0.3
69.03406	0.7
69.07051	0.4
70.06577	1.9
70.71671	0.9
72.08141	1.7
73.02908	0.4
79.05455	0.7
81.03391	0.4
81.07022	0.7
82.06561	0.9
83.04950	0.3
84.04478	0.6
84.08136	4.1
85.02888	1.4
85.08473	0.6
86.09676	1.0
88.02174	0.5
91.05460	0.6
93.07032	0.5
95.04952	0.8
95.08611	0.4
97.02900	0.3
97.06516	0.3
102.09122	0.3
107.04935	0.3
108.04446	0.9
109.06493	1.0
109.10130	0.4
110.07137	0.4
110.09625	0.3
111.04370	0.3
111.08029	0.3
112.02190	0.6
116.07102	0.4
116.10764	0.5
117.03391	0.3
119.04913	0.7
120.08051	0.6
121.06501	0.4
121.10159	0.3
122.06001	0.8
125.07095	5.0
126.09142	0.8
127.03886	0.5
127.09468	0.6
129.10214	1.0
130.04971	0.3
130.08591	0.5
133.10034	0.4
134.02679	0.4
136.07497	0.5
137.05933	0.9
139.07564	0.3
140.07039	0.6
145.02818	1.0
145.04877	0.3
147.04402	1.0
150.05623	0.4
154.08612	0.5
155.07010	0.3
163.03836	0.5
165.05452	0.7
168.06529	0.6
172.04166	0.4
173.08093	0.4
177.05476	1.5
182.09369	0.6
185.09207	1.9
186.07582	0.6
209.15337	1.4
214.39912	0.3
227.16565	0.3
228.12148	0.5
229.10641	0.7
229.12608	0.9
238.34821	0.3
247.04231	0.8
261.13055	10.1
261.17960	0.8
347.28552	0.3
405.12625	0.4
423.18283	100.0
424.18610	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	423.25
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.7
55.01861	3.8
55.05501	38.0
57.03428	13.8
57.07076	20.4
59.04999	3.0
65.83057	2.0
67.05495	32.7
69.03416	9.1
69.07056	46.9
71.04964	3.7
71.08624	13.9
71.52757	2.4
71.53228	2.8
73.02892	2.4
75.50878	2.2
79.05474	21.4
81.03410	12.4
81.03801	1.9
81.07042	48.2
81.63056	2.1
83.04968	8.1
83.08614	34.2
85.02891	5.5
85.06548	3.2
85.10168	6.2
87.04453	2.1
89.06029	5.2
91.05456	18.9
93.07030	33.1
95.04961	7.8
95.06895	1.9
95.08590	40.3
96.08945	2.3
97.02891	3.3
97.06542	7.2
97.10157	24.8
99.04483	2.1
99.08065	2.7
105.07025	24.2
107.08563	29.8
109.06501	6.3
109.10140	23.2
111.08059	3.5
111.11703	4.7
112.99996	80.0
116.02856	2.0
117.06995	11.1
117.65649	2.3
119.08553	24.6
121.06488	2.2
121.10105	23.4
123.08028	6.3
123.11697	8.9
125.09565	3.0
125.36948	2.3
127.03866	2.3
127.11466	2.2
129.06999	4.1
131.08531	10.8
133.08615	2.1
133.10106	16.2
135.08052	4.1
135.11679	16.9
137.13239	3.7
139.11107	3.0
143.08556	6.3
145.10097	11.4
147.08067	2.4
147.11659	13.5
149.09608	5.8
149.13240	10.9
155.08521	2.8
157.10143	8.2
159.11684	14.9
161.13255	9.0
163.11166	4.2
163.14815	5.2
169.02588	74.2
169.10065	3.8
171.11670	6.1
173.13188	11.1
175.14799	6.3
177.16339	2.4
179.14262	4.5
181.10065	2.3
185.13170	4.3
187.03679	5.2
187.14746	6.6
189.16389	4.3
189.55243	2.1
199.14738	3.4
201.16325	2.7
203.17815	2.9
207.13847	2.3
209.13182	2.1
213.16545	3.1
214.18768	3.8
227.17938	2.5
229.19588	3.6
231.20909	2.6
237.22131	6.3
239.14777	2.8
259.20532	3.4
259.62296	2.1
261.22110	4.6
277.21658	2.3
291.23224	3.0
303.23117	5.0
311.25739	100.0
312.26126	3.8
331.26251	4.5
338.79034	2.4
341.24826	2.4
345.24179	4.8
351.23196	2.8
369.24237	10.6
377.32208	2.2
387.25223	9.8
405.26315	13.4
405.34268	4.3
423.26443	3.6
423.31613	5.9
423.36124	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	423.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	7.0
55.05507	1.8
55.25015	0.9
56.02179	1.0
56.05025	1.9
58.99578	4.1
59.04992	1.1
60.04510	1.8
60.91872	0.9
61.01139	5.8
62.63128	1.0
67.05477	1.3
69.03415	1.6
69.07059	6.4
70.06583	7.6
70.07384	2.2
71.04972	4.2
71.55039	1.0
72.04502	9.4
72.08138	6.4
73.02886	1.2
74.00655	1.4
76.02211	2.2
78.03779	14.9
79.05479	2.2
81.03400	3.0
81.07045	3.2
83.04961	2.1
83.06077	1.2
84.04485	6.4
84.08147	7.1
85.02891	14.3
85.06535	2.3
86.03202	1.0
86.06047	2.0
86.09698	8.3
86.99027	1.3
87.00832	1.2
88.02209	7.3
91.05488	3.0
93.07017	2.4
95.04945	2.3
95.08564	5.8
97.02870	2.2
97.06515	16.9
98.02359	1.5
98.06855	6.2
99.04453	7.9
99.05561	3.4
100.02171	1.9
102.03755	21.0
102.05507	1.6
103.02163	2.6
103.03931	12.5
105.01871	1.4
105.07031	2.9
107.04951	1.4
107.08557	2.6
109.02863	5.8
109.06494	1.3
110.07151	2.1
111.08101	1.1
113.05976	2.4
114.03741	3.0
114.05531	2.0
115.07541	3.1
115.08656	1.2
116.01669	4.2
117.97858	1.7
119.04916	1.5
119.08560	2.1
120.04783	5.0
120.08085	9.5
120.08851	1.7
121.06509	1.5
121.10148	2.9
121.15762	1.0
122.05995	1.0
123.04440	0.9
123.08094	2.9
124.03873	1.2
124.07604	2.7
124.32642	1.0
125.05956	1.6
126.05503	16.7
127.03889	9.1
129.10272	2.5
130.08624	2.0
131.06346	8.9
132.04764	11.1
134.02678	1.8
136.07576	4.4
137.05948	2.0
139.11165	1.3
141.06534	2.0
141.09064	3.2
142.08650	4.3
144.01122	1.6
145.01573	1.1
145.04988	1.7
145.10110	1.7
146.02740	2.1
147.04457	1.5
147.05843	1.6
147.08000	1.2
148.07521	2.2
149.07417	44.6
152.07057	2.1
154.08594	2.2
155.05199	1.1
159.05864	3.1
159.10144	1.6
161.05942	1.1
162.02184	4.8
163.02548	2.1
163.03876	1.5
164.07085	2.1
167.07019	4.3
168.06586	1.3
172.07849	1.8
173.07057	1.4
175.05333	2.1
177.05486	1.9
180.06573	10.8
182.08093	1.6
184.09650	2.8
189.12692	1.8
190.08878	5.2
191.09276	3.8
198.07600	3.7
199.13216	2.1
216.08688	2.4
218.08112	1.3
222.08022	1.2
225.06572	1.9
225.10315	2.1
226.15338	1.2
227.16379	2.3
231.11574	5.0
233.09453	1.4
233.16432	2.0
239.08224	1.8
241.09647	1.1
253.09656	2.2
255.11552	1.6
257.09512	2.4
259.08295	2.0
261.12619	3.6
275.10556	1.7
276.11380	1.2
277.09344	3.9
285.12256	1.3
286.09375	1.4
293.11606	100.0
294.11826	9.1
299.10263	4.4
327.09781	9.4
345.10785	8.9
387.11499	5.6
405.12567	13.5
405.16898	26.5
406.12741	1.5
406.17395	2.0
423.14279	11.7
424.14594	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1425
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45519	0.6
50.72548	0.6
52.01954	0.6
56.96555	0.8
57.03421	1.2
57.96421	0.6
58.99572	6.9
61.02896	0.6
67.05493	6.2
69.03419	5.4
69.07056	17.3
70.06571	0.7
70.31502	0.5
71.04967	0.7
71.44921	0.7
71.45265	1.3
73.02872	0.7
76.02215	3.3
81.03385	1.9
84.08109	2.3
85.02892	10.8
86.09686	0.9
93.06941	0.8
95.04939	2.1
97.02882	4.1
99.02657	2.8
99.04422	1.3
101.04225	45.8
103.03938	1.2
109.02840	2.2
110.06017	1.4
112.07574	1.9
117.88321	0.7
122.02678	1.2
125.04169	0.8
127.02122	5.4
127.03867	1.7
127.05739	3.0
129.03653	1.8
136.07570	1.2
138.05515	1.4
140.07028	9.5
145.02887	0.8
145.04941	0.7
147.04396	1.9
149.10271	0.6
152.07076	1.0
155.01591	1.7
170.06340	2.0
172.04242	100.0
173.04536	1.5
177.05496	1.6
180.04759	2.0
182.08160	3.0
197.07442	2.7
198.05811	6.3
214.05290	10.1
215.08455	5.3
244.06358	8.5
248.09303	0.8
261.09006	16.9
284.11404	0.8
286.07391	1.9
302.12106	0.8
303.10059	0.9
314.01801	0.6
316.08334	0.9
334.09589	5.3
338.56671	0.6
377.13754	7.8
423.14255	72.9
424.14496	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	423.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
61.18632	0.6
70.41699	2.6
70.42056	1.2
75.88819	0.6
84.08140	3.0
91.86666	0.6
130.08624	5.6
142.02084	0.9
146.08119	2.4
176.17888	0.7
191.28123	0.8
221.59628	0.8
379.09991	0.9
423.00729	2.5
423.12753	100.0
424.13477	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	423.1422
Annotation	Lepidissipyrone
Peak:m/z	Relative Intensity
53.03915	0.7
55.01839	0.9
56.05010	1.2
56.96526	1.8
57.03411	1.0
58.99572	6.4
60.04490	1.0
61.02886	0.9
61.70968	0.5
61.91279	0.5
63.78751	0.6
65.03894	0.7
66.48769	0.6
67.05168	0.7
67.05493	7.2
69.03416	4.3
69.07053	15.9
70.06586	4.1
71.53220	0.7
71.53614	0.7
72.08113	1.7
73.02911	0.9
74.06055	0.9
76.02207	4.0
79.05465	0.7
81.03384	2.6
82.06527	0.9
84.04486	1.5
84.07694	0.7
84.08125	8.1
85.02889	9.3
85.08433	0.6
86.09674	1.1
87.04453	1.0
88.02185	1.2
88.03935	1.6
89.03877	0.8
91.05484	1.0
93.07002	1.2
95.04939	2.5
96.04469	0.8
97.02874	5.5
98.97561	2.1
99.02630	2.4
99.04433	1.1
100.02189	0.6
100.07587	0.7
101.04223	43.1
103.03923	0.7
104.07041	0.7
105.06986	0.8
109.02848	2.0
110.05994	1.8
110.07092	1.2
112.07572	2.8
113.05957	0.7
116.07052	0.9
116.33846	0.5
116.98600	1.3
117.03323	1.3
119.04901	1.7
120.08092	2.0
122.02703	1.1
124.07565	0.6
126.05464	1.4
126.09098	0.8
127.02098	5.8
127.03905	2.9
127.05766	2.1
129.03673	2.2
129.10193	1.8
130.04970	0.6
130.06523	1.4
130.08614	6.0
131.08919	0.9
134.02699	0.6
136.07478	1.1
138.05466	14.2
139.03990	0.5
139.05832	8.0
140.07021	9.1
145.02824	2.1
145.04958	1.1
145.06059	1.1
145.14787	0.5
146.08078	0.8
147.04362	3.7
154.04967	0.6
154.08627	1.1
155.01567	1.5
158.06032	0.9
158.08096	1.0
158.99686	0.7
163.03874	0.9
164.07037	0.6
165.05511	0.7
168.06537	0.6
170.04959	0.6
170.06296	2.8
172.04239	100.0
173.04585	1.8
175.03955	1.0
177.00705	0.8
177.05420	3.7
178.05830	0.5
180.04753	1.4
180.06335	0.7
182.08107	3.0
197.07347	2.7
198.05794	4.6
206.08032	1.2
214.05286	9.4
215.08429	5.5
237.02679	1.1
238.05205	0.7
244.06366	7.3
247.04294	1.3
261.09039	14.2
261.18082	0.8
284.11322	1.0
286.07510	1.8
302.12418	1.1
303.10019	1.9
334.09573	1.9
338.56378	0.7
339.09814	0.8
342.09970	1.1
359.12729	0.9
360.11115	1.5
377.13721	8.8
388.10788	0.8
405.12656	0.8
423.14282	91.9
424.14532	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	422.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.4
55.05501	2.8
56.05009	0.6
57.07067	0.5
66.76714	0.2
67.05495	2.6
69.03413	0.7
69.07057	0.7
70.06583	0.3
71.04984	0.6
71.53790	0.5
72.04507	0.4
73.06546	1.3
79.05488	1.8
79.16173	0.3
81.03387	0.7
81.07063	2.1
83.04958	0.5
83.08602	0.3
84.04488	0.9
84.08128	100.0
85.08463	1.1
86.09690	0.4
90.05556	1.1
91.05472	1.4
93.07037	2.1
95.04948	0.3
95.08591	1.7
97.02863	0.9
102.05526	0.4
102.09163	4.3
105.07022	1.4
107.08585	0.8
109.02962	0.2
109.06523	0.6
109.10153	1.1
111.08031	0.3
117.07011	0.5
119.08563	1.2
121.10123	1.2
123.08031	0.8
123.11714	0.3
127.03852	0.4
129.07004	0.4
130.08611	3.2
131.08539	0.9
133.10101	0.7
135.07994	0.4
135.11674	0.8
144.10173	46.5
145.10362	0.9
147.11664	0.5
149.13306	0.4
151.46588	0.2
157.10138	0.5
158.18715	0.2
159.11655	0.4
161.13214	0.4
162.11230	6.7
163.14894	0.3
171.11613	0.3
173.13249	0.3
179.14297	1.0
185.13164	0.4
194.42258	0.2
259.20349	0.3
261.22055	0.6
329.90094	0.3
331.26358	0.6
360.05463	0.2
362.30429	0.3
369.24124	0.3
387.24918	0.4
405.26059	0.4
422.32599	33.3
423.26587	0.4
423.32462	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	422.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64847	1.1
55.05492	3.0
57.07064	100.0
59.04698	1.7
59.04987	25.7
59.25830	0.8
59.81413	0.8
61.13501	0.9
64.35774	0.9
67.05475	2.7
69.07045	3.6
71.08618	77.9
71.19078	2.3
72.08973	1.0
73.02905	29.4
79.05489	0.9
81.07028	2.3
83.08582	2.3
85.10166	65.8
87.04424	2.0
88.22988	0.8
89.05999	2.6
92.93843	1.0
93.07015	3.4
95.08579	4.1
97.10143	2.7
99.11718	13.4
107.08576	1.3
111.08049	2.3
113.13255	5.2
114.18225	0.9
117.05377	1.0
117.09103	11.7
118.95512	1.2
121.10143	1.0
135.06485	1.3
139.07503	1.3
141.16298	1.2
147.11673	1.0
153.08963	1.1
155.17920	9.7
158.11754	1.6
165.11137	1.1
167.10684	1.1
175.09610	2.8
193.10716	2.3
213.22107	17.2
223.67152	1.0
254.24640	1.2
271.26273	10.9
377.32428	3.5
404.35889	7.2
405.31461	1.6
422.37125	9.1
423.36261	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	2.5
56.05030	1.4
57.72132	0.6
67.05496	1.5
69.07053	1.0
71.53271	1.2
73.17364	0.8
79.05488	1.7
81.07039	2.6
81.77570	0.7
83.08624	0.8
84.04477	0.7
84.08128	100.0
85.08495	1.0
85.10163	0.7
86.29005	0.8
88.02212	1.1
91.05460	1.7
93.07027	1.4
95.08583	1.2
97.02894	0.7
102.09161	2.2
103.07330	0.7
107.08572	1.4
109.10132	1.1
119.08581	0.9
121.10205	0.9
123.08034	0.8
130.08615	89.3
133.10139	0.7
144.09015	1.2
144.10168	24.5
155.14279	1.6
162.11267	3.0
179.14359	1.2
194.15457	1.0
268.19073	1.4
270.01160	0.8
362.30573	0.8
422.32751	17.1
423.31448	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	422.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	2.9
57.07062	100.0
58.07402	15.7
59.04991	28.8
67.05487	8.3
69.07050	10.9
69.20604	10.0
69.21027	16.7
71.04984	2.5
71.08617	75.2
72.08945	11.2
73.02878	4.8
76.12560	2.3
81.07028	3.4
83.08601	5.2
85.09699	4.7
85.10168	42.8
86.10477	12.1
87.04453	3.9
89.06025	20.8
95.08577	5.5
99.11717	7.6
100.12072	2.9
103.07565	3.1
105.07002	3.7
107.08554	4.4
109.10132	44.1
113.13273	3.3
117.05492	2.6
117.09090	4.2
120.08856	2.8
121.02848	2.6
121.10126	4.4
127.11160	96.4
131.07069	5.9
133.08580	12.5
134.54350	2.4
149.02324	51.5
151.09647	3.7
155.17880	4.4
170.46519	2.5
189.11223	2.6
193.13612	2.3
195.12341	3.3
213.22047	6.2
214.22409	4.5
271.22748	2.9
272.26657	3.4
278.39828	2.6
342.60641	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	422.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	0.3
54.03458	0.5
55.05495	1.0
56.05026	2.3
57.07069	0.8
67.05495	2.5
68.05019	22.0
69.03416	1.5
69.07048	1.3
69.76182	2.3
70.06580	5.0
70.60445	0.3
71.04987	1.9
71.08584	0.4
71.68488	0.3
74.02422	0.4
79.05476	2.2
80.05005	18.8
81.03414	0.7
81.07045	2.5
83.08618	0.4
84.08128	0.4
86.06050	0.5
87.04468	0.8
91.05463	1.0
93.07031	2.9
95.08583	2.5
97.02841	0.4
98.06039	60.2
99.04471	0.3
99.06305	0.4
100.03976	0.8
105.07027	1.3
107.08575	1.4
109.06526	0.9
109.10139	0.8
116.07073	4.7
119.08562	0.8
121.10133	1.2
123.08053	1.8
126.05499	5.8
130.08618	0.6
131.08522	0.7
135.08047	0.6
135.11684	0.4
144.06537	100.0
145.06827	1.0
145.10078	0.5
147.11613	0.6
159.11655	0.5
162.07590	24.2
169.15848	0.8
179.14264	2.4
193.04771	0.4
261.21967	0.5
301.56833	0.4
308.99017	0.4
331.26236	1.3
421.78262	0.9
422.28894	19.8
423.30991	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	422.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.2
55.05493	2.3
56.05011	0.5
57.03418	0.7
67.05490	1.1
69.03398	0.8
69.06722	0.7
69.07060	6.8
69.42339	1.0
69.42751	3.8
70.06570	2.0
71.04589	0.8
71.04977	12.3
72.08126	1.3
73.06535	1.3
74.09686	1.6
78.02146	0.5
79.05463	2.3
81.03397	1.9
81.07050	3.7
83.04951	2.0
83.08608	3.3
84.08118	2.1
85.02872	2.9
85.06583	0.5
86.09689	5.9
87.10026	0.9
91.05480	1.4
92.16753	0.5
93.07030	3.1
95.04922	0.8
95.08614	3.0
97.02859	0.8
97.06530	3.0
98.06136	0.6
99.04436	44.1
100.04755	1.0
105.06995	1.9
107.08567	13.5
108.08925	0.8
108.38950	0.6
109.06496	11.0
109.10153	1.0
110.07176	0.7
111.08055	1.0
113.09618	2.2
115.07545	9.0
119.04791	0.6
119.08541	1.6
120.04391	0.9
120.08062	0.9
121.06497	0.6
121.10130	7.3
123.08029	7.2
123.11695	5.0
124.07582	0.5
125.06011	1.0
125.09620	3.0
127.03888	1.3
129.09143	0.6
130.08594	1.8
131.08516	0.7
133.10065	0.8
136.06145	2.0
136.07550	0.6
137.05983	1.7
137.09648	1.0
139.11118	1.8
141.09032	0.8
141.12688	1.1
145.04868	0.6
145.10106	0.7
147.11633	2.8
148.05974	0.9
149.09576	4.7
157.10085	1.0
165.12729	7.4
167.07007	2.2
167.09305	1.2
167.10651	15.8
183.10158	1.0
183.13768	17.7
184.14090	0.6
189.12669	1.9
199.13190	0.7
207.13782	2.2
219.10130	0.6
225.14810	100.0
226.15160	3.5
243.15810	3.7
324.56097	0.7
326.08328	0.7
358.44333	0.6
422.12134	0.9
423.12811	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.3
56.05020	2.8
56.29974	0.2
57.03432	0.3
58.64314	0.3
59.04975	0.4
60.33203	0.2
67.05499	0.4
69.03414	0.5
69.07053	0.6
69.55706	1.5
69.56112	0.5
70.06577	1.0
72.08145	0.2
74.06065	8.4
79.05487	0.4
81.07030	0.6
85.02895	0.4
86.09689	100.0
87.00819	0.2
87.10022	1.8
88.03959	0.3
91.05470	1.1
93.07062	0.5
95.08592	0.5
97.02850	0.3
98.06041	1.3
99.05562	0.6
103.05439	0.7
105.07018	0.6
107.04961	0.4
107.08603	0.4
116.07080	1.3
119.08596	0.3
120.08087	11.6
121.06523	0.2
121.08374	0.4
121.10152	0.5
126.05485	5.9
126.06385	0.4
127.03909	0.4
130.06503	0.9
132.08018	0.3
133.08574	0.4
133.10098	0.4
141.13849	0.3
143.11806	0.3
144.06494	0.6
157.07594	0.7
159.09172	0.5
166.08604	5.2
167.07028	1.0
167.11763	0.3
170.05981	0.4
184.07472	0.3
187.14465	0.4
195.11238	2.4
211.14412	1.5
239.13860	15.6
240.14325	0.4
257.14935	1.2
257.49045	0.3
279.16971	10.7
280.17279	0.4
294.21329	0.2
359.18286	0.7
360.19028	1.8
404.21790	0.5
413.70084	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
55.01863	8.4
55.05492	3.8
56.05014	1.6
56.96543	2.1
57.03423	5.8
58.99570	2.6
59.04983	1.4
59.38611	0.8
60.04499	1.9
61.02927	1.2
67.05496	3.5
68.05001	1.3
69.03418	11.2
69.07053	8.1
70.02550	1.8
70.02943	2.5
70.06578	16.7
71.04975	6.8
72.08144	5.0
73.02889	1.3
74.00644	1.7
76.02220	2.7
76.03976	1.7
77.27468	0.8
79.05469	3.4
81.03399	3.6
81.07018	5.0
82.06562	1.2
83.04976	7.4
83.08601	4.8
84.04495	7.1
84.08129	15.6
85.02895	10.9
85.06532	2.0
86.09686	6.3
86.99044	1.9
87.04450	1.6
88.02193	2.2
88.03973	1.1
91.05468	4.5
93.07036	6.4
95.04947	4.7
95.08586	6.1
96.04497	1.1
97.02871	4.7
97.06514	25.7
97.08889	4.1
98.06042	1.1
98.06824	1.1
98.09680	1.7
98.20863	1.1
98.97565	1.8
99.04434	16.5
99.08054	1.6
100.02142	1.1
100.07623	1.5
101.06009	2.4
102.05478	1.3
103.03919	2.0
103.05432	1.3
105.07001	8.0
107.04942	1.4
107.08573	15.1
109.02851	3.4
109.06499	19.0
109.10149	6.0
110.07154	3.0
110.09663	8.0
111.04440	1.6
111.08067	3.3
113.05279	1.1
113.06013	2.9
115.07521	1.4
116.01646	6.0
116.07062	8.8
117.03370	1.3
117.06982	1.0
119.08569	8.2
120.08063	4.2
121.06460	3.3
121.10123	16.6
122.09689	4.2
122.10397	1.0
123.04406	2.0
123.08046	18.9
123.11688	4.0
124.03912	2.3
125.05949	2.1
125.09613	5.5
127.03918	6.6
127.05788	1.3
127.07557	1.5
129.06563	0.9
129.10202	2.7
130.04984	2.4
130.08621	2.3
131.08527	2.5
133.06439	1.7
133.10112	3.3
134.02715	1.3
134.09599	3.0
135.08034	3.3
135.11661	2.7
136.07542	1.9
137.05933	3.5
137.09593	8.5
138.05397	1.3
138.09116	2.7
139.07524	1.1
139.11191	1.2
140.06996	1.6
141.09067	17.7
144.01111	3.3
145.02827	3.0
145.04936	2.5
145.10101	3.0
147.07988	2.8
147.11655	3.7
149.09598	39.5
150.73672	0.9
151.07530	4.1
151.11157	23.6
153.09123	1.6
155.10622	2.2
156.10167	9.3
158.99562	1.1
159.08057	1.0
161.05899	1.1
161.09602	1.0
161.13199	5.9
162.02170	7.8
162.09032	1.2
163.03831	1.1
163.11185	6.6
165.09062	1.4
165.12677	6.3
167.07002	3.2
167.10649	7.5
168.06551	0.9
169.08571	1.6
171.11655	2.2
172.07881	3.9
174.11313	6.7
177.05437	4.4
179.14247	4.9
180.10165	12.0
181.08598	1.0
181.10574	1.1
181.12227	2.6
182.08214	1.0
183.13698	4.4
186.09050	1.0
189.12689	12.3
190.08905	7.0
199.03540	1.2
200.07318	1.1
207.13765	47.8
208.14125	2.5
209.63107	0.9
225.14815	100.0
226.15190	3.4
241.09618	2.8
243.15872	43.5
244.16315	2.0
247.04231	6.0
251.09518	1.5
255.11237	4.0
258.07825	5.6
259.10721	2.5
269.10626	2.0
275.10672	1.0
276.08994	5.9
277.07144	1.3
283.10760	2.0
285.12170	1.1
293.11563	8.9
295.08481	1.9
301.11783	8.5
315.09589	1.1
327.09750	1.0
333.09717	1.5
345.11127	1.1
347.12643	2.3
348.76239	1.1
355.08911	1.2
359.12216	1.0
363.00830	1.0
399.06171	3.6
404.13354	1.2
405.12689	2.0
416.60400	1.1
422.15921	9.8
422.22141	1.6
422.69797	1.1
423.08856	3.2
423.13742	2.8
423.17709	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.165
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07571	0.4
52.86190	0.4
55.05502	0.8
56.05015	1.1
69.03427	1.0
69.59760	2.4
69.60180	1.1
70.06578	2.4
71.01328	0.6
71.04985	0.7
71.47350	0.5
72.08139	0.6
73.02906	1.1
76.80342	0.5
84.08127	89.9
85.02886	4.9
85.08470	1.4
86.09674	0.8
95.01295	0.8
97.02881	1.5
97.06519	0.7
98.06062	0.8
99.04408	0.7
103.03905	2.0
110.07099	0.6
113.02348	2.1
116.01783	0.5
116.06329	1.0
116.07084	13.0
119.08608	0.6
120.08089	1.0
120.71452	0.5
121.10145	0.5
126.09130	100.0
127.03890	0.9
127.09478	2.6
130.08615	1.2
131.03397	0.9
141.01831	1.6
145.04935	1.0
147.04445	0.7
154.08601	75.7
155.08952	1.9
167.07042	0.6
186.11285	0.7
189.41969	0.5
204.12302	1.0
225.14673	0.5
228.12267	58.0
229.12627	2.8
243.34236	0.6
246.13347	11.7
269.35785	0.5
404.15366	9.0
405.15762	0.5
434.80133	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.0
55.05500	5.7
57.03429	5.3
66.55587	1.6
67.05488	4.1
69.03413	35.7
69.07063	2.2
70.06562	4.7
70.81518	3.8
71.04992	3.2
72.08134	2.4
75.04447	2.0
79.05482	16.2
80.04983	2.1
81.03383	1.6
81.07036	10.2
81.50639	1.4
84.04547	1.3
84.08152	3.1
85.02899	7.6
85.03339	1.5
86.09689	6.4
86.64219	1.5
87.04448	3.7
91.05462	20.4
93.07026	82.3
95.04942	18.3
95.08595	7.7
96.04483	2.5
97.02857	10.3
97.06496	2.4
99.04436	2.5
105.01872	1.7
105.07021	11.9
107.04928	1.7
107.08591	10.3
109.02866	1.3
109.06538	2.7
109.10136	2.4
109.85062	1.1
111.04423	3.1
111.08064	4.5
115.03909	3.1
116.06198	1.4
119.08546	5.5
120.08069	6.3
121.06514	3.4
121.10120	66.0
122.10505	1.4
123.08068	3.4
123.11711	1.5
124.03928	81.1
127.03924	2.3
128.10663	2.0
131.08543	13.8
133.07565	2.0
133.10117	3.0
136.06146	15.9
137.05959	3.0
139.11159	6.9
140.07062	1.7
145.04921	1.5
149.09589	21.4
161.09526	1.7
167.10629	3.7
169.39674	1.4
173.12955	1.7
181.12123	1.5
185.98611	1.3
189.07538	1.7
191.10611	15.1
201.12627	1.3
225.11099	2.3
225.14793	2.6
243.12292	1.4
267.06732	2.1
281.13763	34.9
282.14014	1.7
295.06204	5.8
296.23242	1.4
299.14832	100.0
300.15213	4.8
305.03513	1.3
330.19202	2.1
353.50592	1.4
377.01718	3.1
386.19681	1.7
395.02603	1.7
401.21930	1.5
422.24237	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	422.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.8
55.01863	23.3
55.05497	2.0
56.05013	1.9
57.03408	1.0
58.99582	7.6
60.04515	0.8
61.01133	0.8
67.05479	1.3
68.05009	1.5
69.03407	1.9
69.05800	1.3
69.07056	23.4
70.06577	8.9
71.52692	1.0
72.08131	3.1
73.06545	4.1
74.00643	4.4
76.02221	6.3
76.03989	1.5
79.05474	1.7
81.03380	1.6
81.07038	1.0
82.06561	1.6
83.04981	1.3
83.06095	2.2
84.04496	21.4
84.08133	22.3
85.01125	0.9
85.02892	3.5
86.09696	3.8
86.99044	6.1
87.02673	1.9
88.02195	2.7
91.05468	1.2
93.07030	2.1
95.04950	1.5
95.08600	1.6
97.02892	1.7
97.06515	100.0
97.08899	5.4
98.06017	0.7
98.06814	1.0
98.09679	2.0
99.04447	1.8
99.05525	0.8
100.02207	1.1
100.07610	1.4
102.00129	0.7
105.07008	1.9
107.08585	1.3
109.10146	1.2
110.07130	1.2
110.09666	12.1
111.04417	0.9
112.03999	1.0
115.07565	4.3
116.01657	30.1
119.08588	1.2
120.08042	1.8
121.10149	1.4
125.05972	0.8
127.03866	2.0
127.05734	5.8
129.06581	5.1
129.10236	1.1
130.04964	6.0
130.06845	3.3
130.08643	1.2
133.10121	0.9
134.02708	0.9
136.07538	1.2
137.05879	0.8
137.09583	1.1
137.66713	0.9
138.09097	4.1
142.03217	1.1
144.01125	13.6
145.02757	0.8
147.04294	1.1
149.09567	1.2
155.05232	2.3
156.10181	25.8
162.02176	33.4
172.06630	0.5
172.07886	14.5
174.11212	2.7
176.16920	0.8
177.05421	1.2
190.08937	31.0
191.07550	0.9
191.09203	1.2
200.07362	5.1
207.13734	1.7
213.10269	1.5
225.11316	1.1
225.14819	2.8
241.09766	1.8
243.15831	0.8
247.04111	0.9
255.11374	2.4
257.09348	1.1
258.07889	25.4
258.12082	1.2
259.10776	2.5
275.10626	3.5
276.08972	32.4
285.12372	1.4
293.11606	41.6
301.11752	5.6
302.10181	1.1
317.13687	1.1
319.13010	1.2
329.11844	0.9
347.12628	14.1
404.13681	1.2
405.12854	1.7
422.16342	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.9
57.03441	1.0
57.07066	100.0
58.07410	0.9
59.04991	26.8
67.05495	1.2
69.07056	2.4
69.49258	4.4
71.08620	74.8
72.08971	0.8
81.07028	1.6
83.08597	1.9
85.10170	62.0
87.04469	1.1
89.06013	21.3
90.12659	0.5
93.07051	1.0
95.08562	1.2
97.10152	2.6
99.11724	12.2
101.09612	1.3
102.81525	0.5
103.07567	3.2
105.07003	1.1
107.07042	1.7
107.08509	0.5
109.10120	1.9
111.11694	0.6
113.13265	4.0
117.09116	8.0
119.08549	1.4
126.48294	0.5
127.11202	2.8
130.08611	0.8
131.06990	0.5
133.08578	15.6
145.10124	0.7
149.02353	2.7
151.09642	8.2
155.17918	5.8
191.12724	3.9
209.13774	3.7
213.22101	6.6
237.00716	0.5
239.14893	3.1
245.66322	0.7
248.16203	0.7
254.24643	0.8
271.26276	3.1
421.34412	1.5
429.86548	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	4.2
55.05502	8.2
55.85645	1.4
57.03439	9.4
57.07070	37.5
67.05496	14.2
69.07053	12.4
70.71960	4.8
71.04973	3.6
71.08615	2.2
79.05483	11.9
81.03393	2.5
81.07040	24.0
83.04953	5.2
83.08609	3.7
83.51660	1.6
85.06531	15.3
88.07602	2.6
91.05467	6.2
93.07029	13.5
93.30540	1.8
95.04945	4.6
95.08600	17.9
97.06548	4.4
97.10168	5.6
105.07011	9.1
107.08586	17.1
109.06514	13.9
109.10128	9.1
110.14448	1.6
111.04434	3.1
111.08071	3.0
117.06986	2.3
119.08564	10.7
121.10156	8.5
123.08076	11.2
123.11689	2.7
125.05963	4.0
126.85175	1.5
131.08554	3.2
133.10126	5.7
135.08029	20.6
135.11673	4.5
137.05965	21.4
137.09613	2.7
137.13239	1.9
139.07588	2.2
143.08531	2.6
145.01312	2.0
145.10104	3.8
147.11661	4.7
149.02382	2.4
149.09628	3.5
149.13231	3.1
151.07549	8.5
151.11206	2.2
159.11670	3.1
161.09622	2.4
161.13234	2.1
162.03140	4.8
163.11157	1.9
165.12749	8.4
167.14317	2.2
173.30969	1.8
175.11188	2.2
177.12718	4.5
179.14320	3.9
181.12093	1.6
184.04451	5.6
184.07245	1.8
184.54462	1.7
191.14394	2.0
193.04938	2.9
193.12415	1.7
206.05704	5.1
207.13811	9.2
228.23373	2.2
233.18898	1.7
256.26447	2.7
261.18567	2.4
263.19998	4.0
265.96933	1.6
268.19095	3.6
277.17975	2.4
306.66287	1.9
319.26285	8.8
320.67715	2.8
329.24628	4.5
337.27332	7.1
347.25772	100.0
348.26254	4.5
365.26889	20.1
385.09256	2.9
393.29922	13.7
403.28369	2.3
421.29428	93.7
421.34622	3.4
421.78467	5.8
422.29523	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	421.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.5
55.01857	5.4
55.05499	11.9
57.03418	7.3
57.07067	11.3
61.23388	1.5
66.98439	1.5
67.05497	17.7
69.03389	1.7
69.07063	18.7
70.00535	5.1
70.00947	3.1
71.04996	3.3
71.08605	2.3
77.03877	2.1
79.05478	13.5
81.07037	24.4
83.04979	4.6
83.08601	7.1
85.06540	6.3
86.09711	2.3
91.05451	11.7
91.49672	1.7
93.07033	21.0
95.04935	2.5
95.08029	3.1
95.08588	25.8
97.06493	8.3
99.08051	2.4
105.07008	10.6
107.08575	20.5
109.06499	15.9
109.10155	9.4
111.04423	5.9
111.08106	2.6
111.11629	1.8
117.07024	2.9
119.08568	11.4
121.10144	10.7
123.08051	7.5
123.11682	3.7
125.05988	4.9
131.08560	3.8
133.10121	8.1
135.08029	37.7
135.11670	9.7
137.05965	11.5
137.13203	1.8
144.06552	3.1
145.10114	6.9
147.11662	5.7
149.09619	6.2
149.13237	3.9
151.07477	4.0
151.11272	2.3
153.12785	2.9
157.10045	2.4
159.11664	3.2
161.09596	4.6
161.13177	2.6
163.11177	2.2
165.12759	4.8
171.11650	3.4
173.13240	3.4
175.14783	2.8
177.12697	11.2
179.10608	1.7
179.14268	5.8
181.12238	6.3
183.94118	1.7
185.13255	1.7
189.12834	2.1
191.14267	2.4
199.31306	1.5
205.15871	3.1
221.18959	3.5
235.20662	2.5
263.20047	4.0
291.19556	2.0
301.25226	2.6
305.24689	66.1
306.24899	2.7
319.26224	16.5
329.21359	2.0
329.24744	9.3
347.25784	68.0
348.26141	3.5
365.26675	9.0
393.30008	3.8
403.28946	2.6
421.29446	100.0
422.29529	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	421.1269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.5
56.96558	2.4
57.03417	2.8
58.99575	2.4
61.02911	1.1
65.03929	3.7
65.82759	1.1
67.05490	16.4
69.03414	4.9
70.06586	6.4
70.67458	2.3
70.67822	2.0
79.05475	1.6
81.03400	5.6
82.06549	1.6
83.06178	0.9
84.08125	4.0
85.02893	19.5
86.09689	2.2
88.02203	2.4
89.03899	1.8
89.04819	0.9
91.05469	4.7
93.03384	4.3
94.06569	1.3
95.04942	8.3
96.04485	1.7
96.08112	1.4
97.01101	2.0
97.02875	10.3
98.97569	2.9
99.02677	6.6
100.02184	2.9
103.03888	2.4
106.06542	1.4
109.02879	4.6
110.06008	1.8
112.07597	5.2
114.05527	1.1
116.98631	2.4
117.03345	3.3
119.01914	2.8
119.04935	7.8
122.06095	2.3
124.07550	2.8
125.00561	9.9
125.04255	1.1
126.03798	1.1
126.05491	2.5
127.02121	92.1
127.03886	3.9
128.02483	1.4
130.08649	5.0
131.01888	2.0
133.50359	1.0
134.05978	8.1
136.06174	8.0
138.03825	1.8
138.05481	41.2
140.07028	4.5
142.03238	1.1
143.01695	3.2
145.02736	5.0
145.04974	1.7
146.02707	3.5
146.08154	1.1
147.04381	31.6
147.05516	1.9
148.04762	4.7
148.07562	1.2
149.04976	1.7
150.05479	3.8
152.01645	1.8
152.07042	8.0
153.00035	6.3
154.03221	1.7
155.01689	2.3
156.04761	1.8
157.03465	1.2
161.02925	2.5
161.05957	1.1
162.05502	2.1
166.03220	2.3
168.04779	7.1
170.02686	51.1
171.01076	10.5
173.03040	1.1
175.03947	2.8
176.07063	3.7
177.05426	9.5
180.06535	57.4
184.04245	9.6
189.00668	1.2
194.02748	1.5
196.04224	7.1
204.06517	11.5
205.04141	1.2
207.06508	2.4
210.05823	4.1
212.03732	93.9
213.04095	2.4
213.06949	4.3
216.06509	1.3
218.08049	1.4
234.07689	2.5
236.03687	9.6
237.02814	1.3
242.04767	12.0
246.07674	7.0
247.04581	1.8
250.05495	1.6
255.08034	5.9
259.07434	41.8
260.05856	3.2
264.08691	2.2
266.04987	4.4
278.04745	5.0
282.09695	3.4
284.05832	15.7
286.13928	3.2
296.05905	1.8
301.08487	40.4
314.06897	3.8
321.09003	1.2
322.18378	1.3
325.08435	4.1
337.08530	4.6
355.09619	1.3
367.09537	3.4
368.08301	1.1
375.11984	5.7
385.10593	3.2
403.11725	2.9
421.12674	100.0
422.13123	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	420.31
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03461	0.3
55.05502	2.2
56.05021	3.1
57.07062	0.5
59.04987	0.3
65.03922	0.4
67.05494	7.5
68.05012	1.8
69.03439	0.3
69.07059	2.2
70.06578	50.8
71.04958	0.4
71.06898	0.8
71.08613	0.4
72.08123	0.5
76.55079	0.2
79.05478	6.6
81.07040	5.6
83.04947	0.3
83.08603	1.1
85.05229	0.3
86.06049	9.6
87.04448	0.3
88.03969	0.4
88.07613	1.0
91.05460	3.2
91.07258	0.2
93.07027	7.1
95.04958	0.6
95.08584	5.1
96.08110	3.4
98.06028	1.1
98.21543	0.5
99.42420	0.3
100.03904	0.3
107.08570	2.4
109.06486	0.4
109.10125	1.2
114.05507	22.2
114.09143	29.2
115.05856	0.5
115.09455	0.6
117.06984	0.5
119.08547	1.2
119.93839	0.2
121.10136	2.3
123.11668	0.3
131.08545	0.9
133.10106	0.7
135.11670	0.9
140.07022	0.5
142.08604	53.6
143.08923	0.9
145.10089	0.4
147.11690	0.3
149.13283	0.3
160.09659	85.0
161.10002	1.7
161.13193	0.4
319.26349	2.4
361.45071	0.3
374.30460	1.5
420.31000	100.0
421.31357	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	420.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02901	1.1
55.05501	2.9
57.03422	5.2
57.07066	100.0
58.07392	1.7
59.04991	30.7
67.05466	1.3
69.07055	4.5
71.08617	74.9
71.46549	2.4
75.04463	3.1
81.07012	2.0
83.08620	2.5
85.10167	61.9
86.10482	1.7
93.07012	1.3
95.08567	1.5
97.06490	6.3
97.10158	2.5
99.11713	11.4
101.09624	1.3
105.06972	1.1
111.11700	1.3
112.99982	1.2
113.13254	4.2
115.06776	2.1
115.07552	28.4
117.08350	1.6
117.09113	11.6
133.08580	1.6
140.26810	1.0
152.26505	1.1
155.00940	1.1
155.17923	9.7
169.02533	1.8
171.13786	4.1
191.12738	4.7
193.12146	1.1
213.22072	15.8
245.13681	1.0
246.02010	1.0
268.27457	1.0
271.26212	18.1
403.34225	1.3
420.36432	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	420.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.1
55.01856	2.6
55.05495	1.7
57.03429	18.1
59.04984	2.7
61.02918	9.0
69.03420	17.5
69.07047	1.6
70.06581	18.1
70.08179	1.3
70.16335	4.3
71.01310	2.1
71.04996	6.3
72.08141	15.9
73.02907	44.8
76.36134	1.1
79.05476	2.8
81.03398	2.0
81.07040	8.0
83.06084	9.0
84.04490	2.5
84.08125	23.0
85.02894	31.4
86.09699	10.4
91.05466	100.0
93.04514	2.0
93.07008	1.9
95.04925	1.5
95.06079	17.8
97.02879	44.6
98.21351	1.7
99.04433	1.9
107.04949	15.0
107.06053	2.6
107.08560	1.3
109.02892	3.1
110.07149	83.9
112.08720	5.0
115.03913	27.9
116.07063	2.4
117.06956	1.8
119.06039	2.5
123.04469	1.4
126.09140	17.9
127.03887	9.3
130.08624	22.5
131.05983	1.5
131.08580	2.2
132.06589	1.4
133.03963	3.4
133.04948	7.7
133.06508	3.1
133.07599	1.3
136.07518	1.4
137.05923	1.8
145.04948	11.9
147.05515	2.0
150.07625	4.7
151.12219	1.2
154.08638	3.3
156.07663	11.8
157.06488	1.3
159.05515	1.6
161.04434	5.0
163.06001	5.4
163.12283	29.2
164.11804	1.6
165.38387	1.2
166.06154	1.6
167.07002	1.7
171.08044	1.5
172.09671	26.7
175.10881	2.6
175.12294	19.1
177.06621	3.1
183.14935	1.6
187.07491	1.4
190.13385	16.7
192.14932	4.5
193.13387	1.8
201.10281	3.7
201.12172	1.3
205.08551	2.6
208.14426	19.7
210.16052	1.8
217.08563	5.0
219.11255	51.5
223.05946	2.3
235.09665	2.4
236.13930	4.9
240.17018	9.8
241.07098	2.9
241.14378	1.3
244.10690	2.0
253.10695	7.0
254.14935	8.3
259.08054	3.6
273.12631	2.5
283.69348	2.6
286.17648	7.5
290.11005	1.6
295.10187	4.2
297.69113	2.5
319.21042	3.7
319.70959	1.2
324.16812	2.0
326.18616	5.3
333.20935	3.8
342.17868	1.4
370.17575	24.3
374.20874	3.2
388.18686	12.0
389.19305	1.3
402.20087	3.6
420.21268	92.5
421.21075	8.4
442.80353	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	419.3511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16630	0.2
55.01847	1.1
57.07045	0.9
59.49504	0.3
59.53600	0.3
70.67159	0.8
71.08611	0.5
93.42870	0.3
95.87196	0.2
99.00780	0.6
99.04435	3.3
111.04427	2.6
120.46968	0.2
125.05966	9.6
137.09599	0.5
141.05434	4.3
147.13287	0.2
153.05435	100.0
154.04640	0.3
154.05743	1.6
167.03539	0.2
167.06978	0.7
182.18211	0.2
195.10176	0.3
275.36774	0.3
361.81723	0.3
419.35104	40.5
420.35358	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	420.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13272	0.8
55.01862	1.4
55.05503	1.5
57.03427	20.7
59.04976	1.4
60.04496	1.1
61.02921	8.6
69.03419	16.9
69.07066	1.6
70.06584	10.9
71.01339	1.1
71.04979	2.8
71.44463	1.9
72.08152	8.7
73.02905	46.5
75.33974	1.0
81.03405	2.6
81.07042	3.0
83.06087	2.8
83.84238	0.9
84.08138	7.5
85.02888	32.4
86.09687	4.6
87.04446	1.8
91.05464	100.0
92.05774	1.5
93.04523	1.6
93.07010	1.1
95.04954	1.2
95.06084	6.2
97.02874	46.8
99.04424	2.9
103.03962	0.9
107.04927	4.7
107.53775	0.9
108.88507	0.8
109.02868	2.9
110.07152	27.9
112.08712	1.8
115.03909	27.9
116.07091	2.9
117.07012	1.4
119.08589	1.5
120.08059	1.1
121.06511	1.8
126.09125	5.7
127.03896	8.8
129.06970	2.1
130.08630	6.9
131.08545	1.3
132.06555	2.1
133.03964	1.6
133.04929	10.9
133.06477	4.1
137.05942	1.1
143.08545	1.1
145.04939	13.3
145.06458	1.9
146.75911	0.9
147.68349	0.9
150.07623	3.4
154.08560	1.4
156.07617	4.4
157.06459	1.8
161.04408	4.7
163.06032	5.8
163.07254	0.8
163.12274	7.9
165.06920	1.1
171.08086	1.3
171.11325	1.0
172.09654	9.2
175.07578	1.7
175.10834	1.7
175.12305	7.0
189.09158	1.0
190.13383	5.2
192.14928	1.7
193.04872	1.1
193.13371	1.5
201.10191	1.6
205.08630	2.3
208.14415	6.9
217.08566	4.0
218.39426	1.0
219.11237	16.7
219.13162	1.2
223.05968	3.0
223.13255	1.2
232.74347	0.9
235.09697	3.1
236.13962	2.7
240.17088	3.4
241.07069	5.7
241.14415	1.2
253.10666	6.6
254.14981	2.8
259.08173	4.2
271.11758	1.3
286.17630	3.2
295.10175	4.4
319.21149	0.9
326.18439	1.1
333.20969	2.3
352.16571	1.3
370.17599	7.2
374.20819	1.3
388.18539	5.2
402.20270	2.1
408.51563	1.0
420.21298	32.0
421.20886	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	419.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.5
55.01858	0.6
55.05492	0.4
56.05017	0.7
56.96542	0.9
57.03407	1.3
57.07051	0.4
59.04975	1.0
61.02919	3.2
67.09683	0.4
69.03425	2.1
69.07033	1.6
70.06583	1.9
71.01325	0.4
71.04990	2.9
71.08598	0.7
71.51413	0.4
71.51781	0.4
72.08144	1.9
73.02878	1.1
74.06068	0.4
79.05470	1.2
81.03397	1.5
81.04528	44.8
81.07042	5.7
82.04893	0.8
83.06078	0.8
84.04459	1.2
84.08119	2.3
85.02428	0.5
85.02895	6.0
86.09689	2.6
87.08096	1.0
88.02207	3.3
88.03944	0.9
88.11237	1.9
90.01770	0.5
90.05536	0.4
91.05460	2.4
93.07043	2.1
94.06582	0.4
95.06065	0.6
95.58089	0.3
97.02885	2.3
98.97576	0.8
99.04433	1.5
99.05534	0.9
99.08031	0.6
102.05520	0.5
103.03930	2.0
105.06982	1.1
107.04903	0.5
109.02835	1.4
110.05990	0.9
110.07108	0.6
110.95853	0.4
113.02345	4.4
116.98615	0.6
117.03338	0.5
117.37707	0.4
119.04925	0.7
119.08535	2.8
120.08040	0.4
122.02702	0.4
122.05981	0.4
123.04399	0.9
124.07588	0.9
127.03923	3.3
127.05013	42.4
128.05370	0.3
129.05359	0.4
129.06960	0.4
130.08614	1.4
133.06451	0.9
134.02711	2.0
134.03555	0.5
134.09392	0.3
135.04301	0.7
136.02214	0.4
137.05908	1.0
137.10721	3.5
138.05472	6.8
139.03812	0.7
140.01585	1.3
140.07014	1.4
141.01805	0.4
141.07391	0.9
145.02806	2.0
145.04904	2.0
146.03188	0.5
147.04370	3.0
147.07962	1.2
148.04785	0.4
149.06021	0.5
150.05479	0.5
151.03848	1.3
152.07065	0.5
153.10204	0.8
157.07558	0.4
161.01135	0.5
161.05945	1.3
161.10783	0.7
163.03894	0.7
163.12271	4.8
167.07033	0.9
168.06532	3.2
169.06967	2.3
175.03838	0.4
177.05446	3.7
178.05775	2.0
179.11761	4.8
193.08578	0.9
193.13353	0.5
201.12349	0.4
207.06383	0.7
207.11240	4.7
211.14388	5.7
219.01695	1.0
225.12309	12.2
237.02832	1.0
239.04715	0.5
239.14064	0.7
240.15199	0.4
242.10201	0.7
243.10544	0.6
257.14917	100.0
258.15378	2.7
286.11121	0.6
287.70230	0.4
298.97318	0.4
299.26706	0.4
385.11078	0.4
393.91815	0.4
419.03223	2.7
419.14536	1.9
419.20154	16.7
420.12695	3.4
420.20407	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.3
55.01859	15.4
55.05509	15.9
56.05032	2.7
57.03421	14.7
57.07066	61.9
61.01148	4.2
61.02903	5.8
62.95758	2.3
63.38896	2.5
67.05499	13.8
69.03419	24.1
69.07060	14.1
69.36097	21.2
70.06573	11.7
71.04969	7.5
72.08131	10.2
73.02895	8.6
73.06538	4.0
78.95116	3.2
79.05463	10.0
79.96401	2.5
81.03407	33.9
81.06594	4.0
81.07046	66.7
83.04969	13.4
83.08591	6.6
84.04477	10.9
84.08128	14.5
85.02892	59.0
85.06526	28.2
86.09698	65.9
87.00812	25.3
87.04446	2.4
88.95070	2.5
91.05453	9.1
93.07021	11.7
95.04936	15.0
95.08575	15.4
97.02883	26.6
97.06528	6.2
99.04421	11.3
99.08084	59.3
101.06008	3.3
102.05494	2.7
103.05456	2.9
104.05322	4.8
105.01843	17.2
105.06987	8.8
107.04929	6.0
107.08563	7.7
109.02856	25.0
109.06496	14.4
109.10143	16.6
111.04433	3.6
111.08065	10.2
115.05399	3.1
116.07042	2.5
117.01841	5.3
117.07034	4.4
119.08545	5.5
120.08052	6.9
121.06487	9.2
121.09296	2.3
121.10110	5.0
123.04414	6.3
123.08022	4.9
123.11623	4.2
125.05984	3.2
125.09452	2.8
127.03878	49.0
127.11155	11.9
128.06204	3.6
129.01796	6.6
129.06992	3.4
130.04991	4.3
130.06575	2.7
130.08617	10.4
131.04927	3.6
131.08553	6.0
133.06485	5.1
133.10100	4.5
135.08038	13.8
135.11639	6.1
136.07497	5.2
137.02231	2.8
137.05948	4.8
137.09586	6.6
137.13226	8.5
139.07533	2.7
141.06950	2.7
143.08603	2.8
144.05658	4.2
145.04955	19.4
145.05951	3.0
145.06508	3.2
145.10112	4.0
148.06023	9.9
149.05965	3.2
149.09550	3.9
151.03871	4.5
151.07582	3.6
151.11203	12.7
153.12714	41.5
155.06992	4.3
155.14282	100.0
156.14615	4.3
159.02873	15.2
159.08012	10.6
161.05931	3.4
161.09602	5.7
165.09019	3.0
167.07013	14.3
169.12230	4.3
170.07245	5.3
171.13786	11.3
177.05461	6.4
177.09109	4.4
177.12677	6.3
181.04979	2.6
183.06467	10.4
187.07527	8.7
189.03928	3.0
195.13757	20.4
203.06943	3.3
204.52298	2.9
209.08051	4.3
216.07672	2.6
217.08597	9.0
217.12137	5.4
218.09264	4.8
219.10106	16.3
231.04823	3.4
231.10220	11.8
235.13223	4.5
247.09569	3.3
257.04456	3.3
273.12555	7.3
287.05347	14.0
293.07684	2.7
309.11108	2.9
315.08499	8.5
330.10876	8.6
337.10660	3.4
339.14310	5.1
369.13287	5.0
387.14417	6.2
393.92578	2.6
401.15973	35.1
402.16562	8.6
419.18118	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	419.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61465	0.6
53.03938	4.1
55.01854	0.8
57.03410	1.0
61.02909	2.4
69.03414	9.4
70.06574	1.3
70.60674	1.6
70.61055	1.4
71.04971	3.1
73.02914	4.7
81.03407	12.4
85.02886	43.5
86.09711	1.0
97.02873	28.6
99.04436	27.3
103.03922	39.4
109.02854	15.6
113.02342	100.0
114.02681	1.3
115.03902	1.8
127.03888	72.4
128.04216	1.7
137.53188	0.6
138.73555	0.6
139.04013	0.7
144.18416	0.7
145.04929	37.2
163.06010	10.7
169.04962	1.4
185.81908	0.7
186.38016	0.7
187.05998	5.1
205.07091	1.6
228.72623	0.7
249.86310	0.7
253.06888	0.9
271.08029	5.0
289.09143	2.2
344.03802	0.8
359.65207	0.8
408.00784	0.7
419.15506	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.8
55.01857	2.1
55.05501	2.5
57.03414	2.1
57.07043	2.2
59.04971	1.5
65.03910	3.2
67.05486	5.5
69.03408	4.6
69.07044	3.2
69.26645	12.9
70.06569	4.3
71.04974	1.2
72.08131	6.4
73.02878	2.0
78.20702	1.2
79.05469	7.1
81.03392	5.2
81.07038	7.8
82.04172	1.4
83.04971	2.2
84.04483	1.2
84.08111	3.8
85.02895	11.6
85.06519	1.8
86.09673	2.5
87.00822	3.1
91.05449	5.5
91.07600	1.2
93.07034	4.2
94.04178	2.4
95.04953	17.3
95.08579	8.0
97.02863	3.6
97.06524	3.0
99.04414	2.4
99.08060	1.8
103.05461	1.3
105.07000	4.0
107.04929	10.1
107.08558	2.2
109.02833	3.9
109.06502	2.1
109.10126	3.7
110.02364	2.3
110.03610	1.8
110.07140	1.7
111.04420	2.1
111.08097	2.3
113.07048	1.3
113.09638	6.8
115.05421	4.5
116.06177	1.8
117.06966	1.8
119.08537	1.6
121.06492	3.9
121.10110	1.3
123.04431	12.1
123.11660	1.7
124.07551	3.6
125.05998	2.3
127.03912	5.7
127.11213	1.4
128.06158	6.6
129.06990	5.1
131.04887	3.2
131.08527	8.6
133.06464	1.3
133.10086	1.9
136.07532	3.5
137.05975	6.4
139.03906	2.4
139.07407	1.3
140.04655	3.6
141.06967	6.6
142.07742	3.6
143.08582	2.9
144.05702	7.9
145.04926	3.0
145.06433	5.1
147.04346	1.7
147.11598	1.3
149.05965	1.9
149.09628	1.2
151.03888	7.0
151.08575	1.8
152.04625	1.5
152.07100	3.2
153.05475	1.5
153.12691	9.4
155.05949	1.7
155.07022	3.6
155.14249	3.6
156.05670	5.5
157.06473	5.3
158.07263	2.1
159.02892	2.2
159.08020	13.6
160.97572	1.3
161.05919	3.5
163.07556	1.9
164.07063	1.8
165.05449	2.2
167.07021	25.0
168.04167	3.4
169.04906	1.2
169.07637	2.2
169.09677	1.6
170.07236	17.4
171.08018	7.9
171.13818	3.1
173.05913	5.7
174.06779	2.4
175.07536	2.8
177.05412	6.4
177.09047	3.0
179.08513	1.6
181.04919	1.3
181.06522	1.3
181.08661	2.0
183.06517	21.2
184.05142	2.6
187.07497	16.9
189.05443	2.9
191.05377	1.3
191.07014	3.7
193.08592	2.9
198.06804	3.1
199.07468	4.7
201.05411	2.8
201.08917	1.4
202.06172	2.7
203.06992	12.9
203.10405	1.3
204.07857	1.8
205.06633	1.8
205.08624	3.5
209.08008	2.1
216.07788	9.2
217.08566	22.6
218.09360	13.7
219.08089	4.9
219.10107	45.8
229.06107	2.5
231.04977	2.1
231.08029	2.7
231.10098	30.1
232.10748	1.7
234.06740	2.4
235.07462	3.2
235.09497	1.4
247.07468	3.6
248.08199	2.6
249.09021	4.5
249.11302	8.9
257.05603	1.3
259.07437	2.2
259.14105	1.5
261.08850	1.8
262.06210	1.6
263.07019	1.6
264.07849	2.2
276.07813	2.4
277.08597	3.7
278.10016	1.9
279.06201	1.5
279.10135	2.3
285.08643	1.8
291.06213	2.4
291.09973	2.8
292.07227	2.6
293.08246	2.2
298.63501	1.3
305.08035	3.4
307.09586	4.6
309.11142	2.9
311.12585	1.5
313.11380	1.2
314.12463	1.2
322.08240	2.1
323.09146	1.4
330.10855	1.7
337.10727	8.9
338.11511	1.4
339.12103	2.5
351.12164	2.5
369.13300	25.9
370.13449	1.4
380.23151	1.5
383.15161	1.7
387.11722	2.3
389.15628	6.0
401.15897	100.0
402.16113	3.5
419.14618	3.9
419.19724	1.5
419.25302	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	419.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89839	0.2
57.03429	5.8
61.02911	1.5
68.99786	0.5
69.03416	0.5
70.66206	0.6
71.01326	0.2
73.02903	14.9
79.79661	0.2
85.02868	0.3
107.04925	0.6
111.00765	0.6
115.03928	1.3
121.02839	2.2
133.02834	0.5
133.04941	0.4
137.02324	0.6
145.06389	0.3
146.83842	0.3
147.04321	0.5
153.01793	3.6
157.06435	0.3
165.01852	1.6
167.07036	0.5
183.02850	0.8
185.05956	0.5
213.05418	1.2
231.06506	0.7
240.30710	0.2
241.04971	0.5
258.05093	1.1
259.05984	0.4
261.93466	0.2
287.05441	100.0
288.05817	4.2
330.10892	0.4
424.46515	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0963
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
51.24546	0.2
51.31361	0.1
55.01860	1.8
57.03426	3.5
59.04994	0.2
61.02900	0.7
68.78209	0.2
68.99773	0.5
69.03416	1.5
71.01340	0.7
71.09728	0.4
73.02905	2.3
81.03371	0.2
85.02890	2.6
87.00813	0.2
87.04448	0.4
93.07067	0.2
97.02859	0.7
103.03908	0.3
103.05433	0.2
105.01884	0.2
105.03377	0.3
107.04886	0.3
108.92476	0.1
109.02805	0.3
111.00780	0.6
115.03914	1.3
121.02849	2.7
127.03870	0.2
129.06996	0.2
133.02805	0.5
133.04932	1.9
137.02290	0.7
145.06454	0.3
147.04381	0.6
153.01804	3.8
157.06432	0.4
165.01810	1.6
171.04341	0.2
181.04910	0.2
183.02846	1.0
185.05927	0.6
187.06065	0.2
197.05936	0.2
213.05423	1.6
231.06499	0.8
241.04907	0.9
244.31683	0.2
258.05203	1.4
259.05917	0.5
286.04749	0.2
287.05438	100.0
288.05774	3.4
295.06082	0.2
309.11716	0.1
311.05316	0.2
383.07303	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.4
55.55165	0.3
57.03424	0.6
61.02910	0.8
63.71431	0.4
65.41261	0.3
69.03415	1.2
70.07264	1.5
72.08126	0.4
73.02878	0.6
73.06528	0.4
81.03401	1.1
84.08174	0.5
85.02890	7.8
87.04443	1.4
88.02191	0.4
89.06014	59.2
90.06360	0.6
97.02864	1.7
98.57893	0.3
99.04433	1.1
103.03902	0.8
107.07051	1.5
109.02828	1.4
110.05998	0.6
111.79605	0.3
112.03910	1.2
113.02369	2.0
117.03336	1.4
127.03895	2.2
127.85594	0.3
130.08588	0.6
133.08575	27.8
134.02646	0.5
145.02837	3.8
145.04930	1.3
147.04349	0.5
149.05940	0.5
150.05449	0.6
151.09633	2.0
177.05440	7.9
177.11209	4.6
178.05862	0.6
195.12219	1.4
221.13837	0.6
239.14842	100.0
240.15175	2.5
242.10150	0.6
296.69611	0.4
418.22513	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	8.6
55.01854	7.1
55.05496	6.2
65.03941	5.3
67.05493	18.6
69.03410	6.5
69.07056	11.5
69.49728	18.3
71.04984	23.7
72.08131	2.1
79.05461	19.7
81.03419	2.9
81.07041	33.1
82.15577	2.2
83.04971	14.2
84.08125	4.6
84.65688	2.5
85.02886	4.3
85.06529	15.1
86.06041	7.6
91.05475	19.1
93.07024	28.7
93.93023	1.9
94.07300	2.3
95.04939	32.1
95.08590	6.6
97.06501	19.9
98.20767	2.1
99.04433	15.2
103.05472	6.5
104.05799	3.5
105.07008	34.8
107.04913	8.3
107.08566	19.2
109.02843	2.1
109.06493	32.1
109.10168	2.2
111.04417	4.2
111.08089	5.0
113.05991	3.9
115.03948	3.5
115.05450	3.1
117.07009	10.3
119.04977	3.4
119.08556	17.4
121.06464	11.4
121.09370	3.5
121.10122	23.3
123.04403	21.2
123.08054	3.4
125.05990	23.1
127.07534	32.9
129.06996	2.7
130.07767	3.4
131.04904	4.5
131.08548	19.6
131.32889	2.0
132.05272	3.6
133.04962	5.5
133.06450	6.2
133.10126	4.7
133.18236	2.1
135.04407	2.0
135.07976	2.5
135.11685	8.6
137.05956	29.5
137.09512	2.0
143.07016	27.5
143.08504	6.1
144.09248	3.6
145.06461	10.8
145.10100	74.7
146.06787	3.6
147.04404	2.5
147.08017	3.8
147.11638	4.9
149.05914	3.3
149.09563	4.3
151.07491	11.7
153.05418	6.4
155.07062	3.5
155.08548	3.5
159.08035	5.0
159.11661	30.5
161.05829	2.3
161.09581	4.8
163.07593	4.0
163.11142	32.1
167.07008	63.6
168.07356	38.3
169.10115	8.0
173.05927	6.4
173.09581	28.3
174.06297	8.2
177.05524	5.3
177.12740	4.8
181.04924	29.9
181.12143	13.3
182.05289	14.7
187.11153	62.2
189.12772	4.8
191.06985	10.1
191.10648	40.1
192.07382	7.9
192.46844	2.3
193.31999	3.2
197.09648	3.3
205.08559	4.7
205.12201	52.7
209.08139	3.7
209.11688	25.7
215.10628	39.6
223.13297	4.4
233.11667	52.5
247.09718	2.9
249.11243	3.8
251.12747	100.0
252.12985	3.8
269.13800	39.2
287.05515	10.5
315.08533	6.0
330.10922	9.3
347.14795	8.2
365.16010	12.0
383.16986	12.3
388.14618	7.5
401.18033	39.3
412.39032	2.4
418.15649	38.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78951	0.4
54.62744	0.3
55.01851	0.4
55.05505	0.6
57.03417	0.4
60.04516	0.6
63.02360	0.8
69.03391	0.4
69.49692	0.3
70.02954	0.4
70.06589	2.3
70.06896	0.5
70.44884	1.3
72.08133	2.0
74.00647	0.4
78.04695	0.4
81.07032	0.5
84.08134	2.4
85.02876	1.2
86.09690	3.9
88.02199	2.1
89.03896	6.5
91.05460	1.9
93.07005	0.6
94.07375	0.5
95.04903	0.5
97.02869	0.7
103.05437	0.4
105.06999	0.4
106.04179	0.4
107.08604	0.5
109.02822	0.5
116.07043	0.9
117.03360	20.9
118.03752	0.5
119.04913	0.4
119.08565	2.1
120.01151	0.4
120.08079	0.5
120.08878	1.4
123.04391	1.5
127.47993	0.3
129.10219	1.1
130.04962	0.4
133.06439	0.4
134.02672	1.3
134.03610	1.5
135.04436	1.8
136.05672	0.4
137.05956	0.9
139.03922	0.6
139.37814	0.3
140.07089	0.5
145.02818	51.9
146.03169	1.7
147.04338	1.2
147.08020	0.9
148.08363	0.8
149.05951	7.4
151.03915	3.1
161.05943	0.4
161.09549	0.5
162.03191	0.4
163.03857	2.5
165.05435	0.6
167.06990	0.6
175.07506	3.8
176.07890	3.4
177.05438	100.0
178.05780	2.6
186.05408	0.7
188.07140	0.4
189.12315	0.4
238.15279	0.4
297.09644	1.0
303.08594	6.3
400.14841	0.4
418.11218	0.6
418.16324	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.4
56.08549	0.4
59.04983	0.7
63.02316	0.5
69.07027	0.4
69.82709	1.4
70.06582	2.6
72.08149	0.7
79.05490	0.5
81.07030	0.7
83.04958	0.4
84.04520	0.5
84.08127	0.7
85.02886	1.2
86.09680	1.4
87.00879	0.4
87.04455	4.5
88.02216	0.5
89.03899	6.1
89.05999	0.9
91.05456	1.4
93.07018	0.7
95.04974	0.6
95.08547	0.4
96.04488	0.4
98.21468	0.8
101.05977	1.2
105.07048	0.5
107.04944	0.4
107.08616	0.6
110.07131	0.5
113.05993	0.6
117.03357	21.6
119.04948	0.4
119.08558	0.6
120.08064	0.6
121.06470	0.5
121.10094	0.5
122.05993	1.3
124.07569	0.5
131.07030	0.6
131.08565	0.6
133.06451	0.4
133.08571	0.6
134.03600	1.0
135.04350	1.2
135.08018	0.5
137.05972	0.8
145.02818	49.2
146.03188	1.3
147.04402	1.0
149.02315	0.6
149.05954	7.6
149.09651	0.5
150.05402	0.7
151.07475	0.4
158.06079	0.4
162.03090	0.4
163.03851	1.1
168.06448	0.4
173.13158	0.6
177.05435	100.0
178.05818	3.4
186.05473	0.5
191.14355	0.4
193.12048	0.4
207.13747	0.8
219.12262	0.4
220.13385	0.4
221.08069	0.5
224.09091	0.4
225.75336	0.3
242.10226	0.6
253.44073	0.4
329.01590	0.4
384.15399	0.4
390.65695	0.4
399.84064	0.4
418.14172	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.3
55.01858	0.8
55.05490	1.3
57.03424	4.0
59.04988	0.8
67.05496	0.8
69.03405	2.5
69.07072	0.5
69.39584	4.0
70.06571	2.5
71.01328	1.1
72.08119	1.2
73.02522	0.5
73.02905	1.9
74.65578	0.5
75.04458	2.1
79.05060	0.7
79.05481	9.1
81.03379	0.5
81.07034	1.8
84.08136	0.8
85.02888	4.7
85.06511	0.4
86.09718	1.1
87.04452	0.9
89.06007	2.1
91.05459	8.6
93.07025	41.2
94.07372	1.1
95.01318	2.8
95.04944	2.4
95.08595	1.3
97.02851	0.9
99.00833	0.5
99.08036	0.5
101.02342	0.6
103.03909	2.8
103.05442	1.6
105.07016	14.3
105.13026	0.5
107.04935	0.8
107.08588	2.4
109.06465	1.0
111.08057	0.8
113.02374	1.6
116.06207	0.9
117.07001	0.7
119.08552	4.0
121.06487	2.2
121.10119	100.0
122.06035	0.5
122.10474	2.4
123.08057	3.7
123.11683	1.0
129.06927	0.6
131.03368	1.3
131.07047	0.7
131.08551	5.3
133.07603	1.2
133.08597	0.8
135.11636	0.6
137.05939	0.6
139.11134	1.4
141.01804	5.0
147.04373	0.6
149.09590	63.9
150.09915	1.8
159.02867	0.9
167.06999	2.9
167.10658	11.4
177.05458	1.0
181.04919	1.0
201.16205	0.5
215.05450	0.8
223.13269	2.3
241.14316	7.7
325.12711	1.7
351.12735	0.5
399.16473	1.6
418.15613	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46133	0.9
51.78703	0.9
53.03934	2.0
55.05499	8.8
57.03425	6.3
57.07062	5.3
65.03942	1.0
67.05491	46.0
69.07053	12.1
69.57974	6.2
71.07333	0.9
71.08604	3.3
77.96716	0.8
79.05479	14.2
81.03404	2.4
81.07041	61.3
82.07347	1.0
83.04948	1.5
83.08608	8.7
84.79353	0.9
85.06518	1.8
91.05461	10.0
93.07027	16.0
95.04961	2.3
95.08590	57.1
95.53847	0.9
97.06499	3.7
97.10142	3.8
98.98448	74.9
99.08083	1.7
105.07011	8.7
107.08573	14.1
109.10139	26.6
110.54202	1.0
111.08060	3.6
111.11709	1.4
113.09593	1.6
116.93112	1.0
116.99474	1.9
119.08569	8.6
121.10120	16.3
123.08053	1.7
123.11687	12.3
123.16496	1.0
131.04712	1.1
133.10112	9.2
135.11674	7.1
136.26775	0.9
137.09563	1.8
137.13226	6.9
140.01077	1.6
143.60533	1.0
147.11658	7.0
149.13203	8.3
151.14760	6.7
153.12712	0.9
155.01015	100.0
161.13239	5.9
163.11172	1.0
163.14754	7.9
165.16374	5.0
175.14766	5.1
177.16365	2.5
179.17842	1.0
189.16385	3.2
191.17943	4.6
193.15807	1.1
195.13713	1.3
203.17928	2.6
205.19458	1.3
217.19400	1.2
245.22609	24.4
246.22850	1.6
260.38922	1.1
263.23651	55.4
264.24014	2.8
335.45370	1.0
399.32471	2.2
417.28326	1.1
417.33380	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	418.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96487	0.6
55.01847	1.4
55.05492	1.1
64.40536	0.6
69.03398	0.8
70.06561	1.7
71.52300	1.3
72.08129	1.4
79.05461	1.3
81.07040	1.1
82.06552	0.7
85.02887	1.6
86.09678	2.5
89.06025	0.9
91.05423	1.0
93.07006	1.4
95.04959	0.7
100.07571	0.9
103.03903	1.1
105.07008	1.9
107.08567	1.0
107.81019	0.6
117.03330	0.9
124.07449	0.7
127.03866	0.7
137.02380	1.0
140.04939	1.9
145.02812	1.2
154.06482	1.6
155.06020	14.3
155.07152	0.6
156.08086	1.1
166.06503	1.1
167.05984	2.9
167.07085	1.9
167.08220	0.7
168.06921	2.1
169.07594	21.1
170.06032	2.2
177.05429	3.7
179.06010	6.4
181.04991	2.4
181.07568	1.8
182.05904	0.8
182.08351	1.3
183.05486	13.6
183.09071	1.4
185.07072	6.9
193.07550	8.4
194.06000	0.9
195.05484	17.1
196.06267	9.9
197.07065	19.2
198.05424	4.5
201.06596	1.3
207.03751	0.8
207.05479	4.8
208.06258	1.5
208.90738	0.7
209.07074	3.3
210.07806	1.2
211.05078	1.5
211.08591	3.7
213.06549	15.2
221.07051	14.0
221.92706	0.7
223.05013	1.4
225.06544	32.8
226.07043	0.7
227.08087	1.1
229.06058	16.6
237.06560	3.4
238.07260	2.9
239.04437	2.1
239.08104	15.9
239.10345	1.2
241.06010	3.1
243.07607	4.6
249.06552	6.9
252.07655	0.8
253.06044	6.0
254.06673	1.0
255.07668	1.5
256.18790	1.4
257.05447	4.7
265.06104	2.4
267.07629	13.1
269.05478	3.1
270.06262	0.8
271.07089	25.3
277.06015	7.8
280.07153	0.9
283.07162	1.1
284.07584	1.0
285.08630	25.3
295.07068	24.0
296.07477	0.9
313.08105	29.7
314.08115	0.8
316.05307	1.3
328.05392	0.9
331.09183	8.7
336.09644	0.9
340.09253	4.1
342.06815	0.7
354.06696	0.8
354.10757	2.8
358.10263	30.4
359.10757	0.8
370.06448	1.1
372.11792	3.1
382.06360	0.8
382.10321	6.2
400.11365	40.1
401.11584	1.2
418.12354	100.0
419.12625	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	417.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.3
53.03925	1.1
55.01858	0.5
55.05497	1.3
57.03423	3.2
60.33297	0.3
61.82028	0.3
62.48120	0.3
65.03928	0.5
67.05493	0.5
69.03407	2.4
70.06564	0.8
71.01335	0.7
71.02742	0.9
72.08148	0.4
73.02901	3.7
74.03233	0.7
75.04472	2.3
77.03885	0.4
79.05476	8.8
81.03382	0.4
81.07053	1.5
83.01316	0.3
83.04951	0.5
84.08137	0.7
85.02890	5.0
86.09699	2.7
87.04456	0.3
89.06012	1.3
90.06441	0.3
91.05457	9.4
91.07579	0.3
93.07025	39.4
94.07341	0.6
95.01319	4.2
95.04929	2.0
95.08585	1.1
97.02880	0.7
98.65865	0.3
103.03945	0.6
103.05439	2.1
105.04524	0.5
105.07012	18.4
106.07802	1.1
107.04945	0.6
107.08571	2.5
109.06517	1.5
111.08071	1.6
113.02365	1.9
115.05402	0.6
116.06228	0.7
117.06966	0.5
119.08552	4.6
121.02868	0.5
121.06513	2.6
121.10120	100.0
122.10442	2.2
123.04422	0.4
123.08050	4.5
123.11699	0.7
127.03885	0.7
129.06958	0.6
131.03374	1.1
131.07002	0.7
131.08542	4.8
133.07582	1.5
133.08577	0.8
133.10081	0.5
134.07242	0.5
137.05925	0.3
139.11151	0.7
141.01793	5.6
145.04924	0.3
145.06392	0.4
147.07996	0.5
149.02312	7.4
149.09590	76.0
150.09933	1.4
159.02864	1.2
167.06967	3.4
167.10646	9.4
169.04915	1.9
169.12259	0.4
175.07558	0.4
177.11249	0.4
181.04930	1.0
215.05489	0.7
221.07997	3.2
223.13222	1.4
225.14679	0.3
233.06361	0.4
241.14297	5.9
325.12793	2.0
362.14508	0.3
372.23004	0.4
387.14063	0.6
399.16187	1.3
417.15750	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1536
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
53.03928	0.6
55.01860	0.8
55.05492	0.4
57.03407	0.4
65.03932	2.5
67.05469	1.3
69.03394	1.0
69.07051	0.5
70.06591	1.9
71.04961	0.7
75.78660	0.4
78.04701	2.1
79.05481	3.6
81.03380	0.6
81.07036	1.5
82.04176	1.0
85.02892	2.6
86.09689	0.4
91.05450	1.4
93.03406	0.5
93.07035	0.8
95.04946	1.1
95.08596	0.6
97.06502	1.2
98.20712	0.7
103.05447	5.5
105.06998	1.3
106.04163	1.5
107.04947	4.6
107.08560	1.0
109.02837	0.5
109.06489	0.5
109.10123	0.5
109.94102	0.3
110.03629	1.2
111.04426	0.8
111.08083	0.4
115.05434	3.0
117.07006	4.7
118.04127	1.1
119.04855	0.4
119.08575	0.8
121.10126	0.9
122.03593	0.5
123.04397	6.4
124.05191	2.2
125.05947	1.5
127.05428	0.7
129.68466	0.4
131.04904	3.9
133.06490	0.9
134.03642	0.5
135.04399	0.4
137.05971	0.8
138.03070	0.6
142.02632	0.5
143.24907	0.4
145.06464	8.4
147.08025	0.9
147.11693	0.7
148.05165	1.8
149.05940	0.5
151.03876	1.4
151.04982	0.4
152.04671	2.2
153.05429	0.8
155.05980	2.3
161.05978	0.6
163.07498	3.4
167.07013	100.0
168.07304	2.6
171.06488	2.1
173.05963	15.6
174.06496	0.4
175.07629	0.6
181.04927	43.4
182.05313	1.3
187.07559	0.6
191.06995	14.7
192.07350	0.7
195.06505	1.1
201.05457	0.6
205.08565	3.5
207.09926	0.4
217.08559	0.9
219.10095	0.9
233.08063	6.9
235.09561	3.2
263.09222	1.0
271.06085	0.8
272.34927	0.4
307.09473	0.5
325.10849	0.5
329.10120	0.6
339.12292	0.5
355.12247	0.5
357.13281	0.5
367.11771	0.8
381.13477	0.9
385.12738	0.6
387.14328	12.5
388.14542	0.6
399.14395	1.3
417.15396	39.0
418.15842	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	417.1536
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
53.03916	0.7
55.01869	0.5
65.03937	2.1
67.05485	1.8
68.46066	0.4
69.03400	0.9
69.07038	0.5
69.60400	1.3
69.60832	1.1
70.06544	0.4
75.54530	0.3
76.92606	0.3
77.03920	0.4
78.04682	2.5
79.05486	2.5
81.03387	0.5
81.07023	1.6
82.00531	0.3
82.04184	0.7
84.08134	2.9
85.02905	1.8
91.05450	1.6
93.03384	0.8
93.07007	1.2
95.04942	2.1
95.08578	0.6
97.02856	0.5
97.06473	0.7
97.58310	0.4
98.21470	0.7
103.04784	0.6
103.05443	6.8
105.07001	1.6
106.04144	1.3
107.04942	4.2
107.08562	0.6
108.02061	0.6
109.02843	0.4
109.06454	0.6
109.10134	0.8
110.03614	1.1
111.04411	0.7
115.05424	3.6
117.06995	5.8
118.04118	1.5
119.04911	0.6
119.08568	0.8
120.05679	0.5
121.06468	0.5
121.10035	0.5
123.04394	4.9
124.05184	3.2
125.05936	1.2
127.05396	0.6
130.04135	0.7
131.04907	5.6
132.05659	0.5
133.02850	0.7
133.06467	1.1
133.10101	0.8
134.03542	0.4
135.08031	0.5
136.07320	0.3
137.02280	0.5
137.05940	1.2
138.03082	0.7
142.02576	1.2
143.04942	0.5
145.05408	0.6
145.06459	9.1
145.21489	0.4
146.03548	0.6
146.06973	0.3
147.08038	0.6
148.05148	3.1
148.07582	0.4
149.05977	0.4
149.09668	0.6
151.03853	1.3
152.04678	2.5
155.04842	0.6
155.05978	2.8
161.05934	1.0
161.99744	0.3
163.07507	6.7
165.09036	0.5
167.07002	100.0
168.07379	2.8
171.06528	2.2
173.05946	16.0
174.06453	0.6
175.07457	1.1
176.04594	1.0
176.17230	0.4
181.04919	47.5
182.05255	1.2
183.06496	0.3
191.06993	23.2
192.07439	0.6
193.08569	1.1
195.06459	1.4
195.27197	0.4
201.05437	1.0
203.06870	0.5
205.08566	3.5
207.06476	0.5
207.10077	0.4
209.08052	1.0
217.08585	0.4
219.10101	1.1
233.08067	7.6
235.07445	0.6
235.09613	4.6
263.09183	1.3
267.10001	0.4
295.09216	0.3
307.09521	0.5
325.10776	0.7
344.12375	0.4
357.13315	0.4
367.11731	0.8
369.13107	0.4
381.13074	1.0
385.12784	1.4
387.14294	15.4
388.14645	1.1
399.14407	1.6
399.32211	0.5
414.30270	0.4
417.15372	43.5
418.15863	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	417.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.4
53.83986	0.3
55.01857	1.3
55.05486	0.9
56.05025	1.6
57.03414	0.3
58.06589	0.3
58.99564	0.9
60.04516	0.5
61.01151	0.3
61.02916	0.4
65.03909	0.6
67.01875	0.3
67.05475	0.7
68.04996	0.4
69.03421	1.9
69.07038	0.7
70.06575	8.0
71.04966	0.8
71.06926	0.4
71.53873	0.5
72.08135	6.3
73.02892	0.7
74.00654	4.6
74.06053	1.1
74.25744	0.2
75.04462	0.5
76.02223	0.5
79.05471	1.4
80.10498	0.3
81.03409	1.4
81.07026	1.0
82.03727	0.3
82.06576	0.4
83.01311	0.4
83.04958	0.6
83.06083	0.7
84.04484	1.0
84.08129	5.1
85.02892	3.6
86.00645	0.5
86.03229	0.7
86.09690	7.4
86.99030	0.4
87.00807	0.5
87.05563	1.2
87.10015	0.5
88.02185	0.5
88.03979	1.1
89.03862	0.3
91.05455	6.2
92.05798	0.4
93.03378	0.9
93.07045	1.4
93.07549	0.3
95.04939	0.7
95.08578	0.6
97.01057	0.3
97.02865	1.7
97.06536	0.4
98.06032	0.6
99.04412	1.4
100.02173	0.6
100.04736	0.5
100.07594	1.7
102.05484	0.3
103.03914	1.6
103.05446	0.4
104.04195	0.3
104.05303	1.0
105.00060	0.3
105.06998	1.1
107.04941	0.9
107.08546	1.3
109.02853	1.3
109.06481	0.6
109.10129	0.7
110.06030	4.5
110.06839	0.3
110.07150	0.6
111.04398	0.5
111.06348	2.0
111.08051	0.4
112.08712	0.4
114.09113	0.3
115.08691	0.5
116.06312	0.3
116.07053	1.4
117.03359	0.8
117.06990	1.8
119.04928	1.0
119.08556	19.8
120.01137	5.4
120.04366	0.3
120.08069	1.7
120.08883	0.6
121.06525	0.4
121.10128	1.2
122.02705	0.5
122.05991	0.6
123.04404	0.9
123.08050	0.6
125.00551	4.1
125.05977	0.5
125.09646	0.3
126.09098	0.3
127.03890	3.3
127.08640	0.7
128.04233	1.1
129.06938	1.0
129.10223	2.1
130.04962	0.5
130.06470	0.5
130.08574	1.3
131.04901	0.5
131.08490	0.5
132.05656	0.3
133.10126	0.5
133.29597	0.2
134.02682	0.3
134.05948	0.5
135.06335	0.5
135.08009	0.8
136.07582	0.5
137.05940	0.8
137.09526	0.4
139.03854	0.3
141.10228	0.3
142.08591	0.4
143.11836	0.5
145.02818	1.4
145.04926	1.1
145.06444	0.4
145.09737	0.5
146.02652	0.6
146.06233	0.7
147.04385	1.1
147.08015	15.0
147.11214	0.5
148.08376	0.3
149.05940	0.8
149.09630	0.9
150.05429	0.5
151.03876	1.6
151.05740	1.0
151.07495	1.2
151.11177	0.7
151.98317	0.3
152.07008	0.7
155.08165	0.4
157.07573	0.3
159.07936	0.3
159.11649	0.4
161.05988	0.4
161.09569	0.4
162.08992	0.3
163.03885	0.3
163.05927	0.5
163.07457	0.6
163.11125	0.5
164.02835	0.5
165.05450	0.4
165.09081	1.2
167.07036	0.7
167.09331	0.5
169.08556	0.4
169.12128	0.5
171.11331	0.5
172.07468	0.5
173.07874	0.4
173.09264	0.8
173.13029	0.4
174.09175	0.3
175.07504	100.0
176.07938	2.5
177.05432	3.6
177.07770	0.4
177.09081	2.2
179.05267	1.3
179.06856	0.3
181.04800	0.4
181.08522	0.4
186.12358	0.3
187.05779	0.4
189.09019	0.3
192.10107	0.5
200.06992	0.9
201.07341	1.3
201.12303	0.9
204.13426	0.8
207.04721	7.5
207.06506	0.7
213.12276	0.7
216.09859	0.4
218.03928	0.5
218.08009	0.4
219.08395	0.5
219.13751	0.7
226.08063	0.3
229.11824	0.7
229.15430	0.8
234.09448	0.3
234.12401	0.3
235.05959	0.4
237.14836	0.8
250.08882	1.0
255.15807	0.6
261.14468	0.3
272.09384	1.1
278.08618	0.4
285.28729	0.3
293.08267	0.3
296.09451	16.9
297.03970	0.4
297.09698	0.7
301.18558	2.2
303.08563	1.2
365.27283	0.3
371.10739	0.3
381.13950	0.3
382.36746	0.3
399.14761	1.0
416.71756	0.6
417.11298	9.8
417.16321	1.8
417.25656	0.4
418.11389	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.4
53.83986	0.3
55.01857	1.3
55.05486	0.9
56.05025	1.6
57.03414	0.3
58.06589	0.3
58.99564	0.9
60.04516	0.5
61.01151	0.3
61.02916	0.4
65.03909	0.6
67.01875	0.3
67.05475	0.7
68.04996	0.4
69.03421	1.9
69.07038	0.7
70.06575	8.0
71.04966	0.8
71.06926	0.4
71.53873	0.5
72.08135	6.3
73.02892	0.7
74.00654	4.6
74.06053	1.1
74.25744	0.2
75.04462	0.5
76.02223	0.5
79.05471	1.4
80.10498	0.3
81.03409	1.4
81.07026	1.0
82.03727	0.3
82.06576	0.4
83.01311	0.4
83.04958	0.6
83.06083	0.7
84.04484	1.0
84.08129	5.1
85.02892	3.6
86.00645	0.5
86.03229	0.7
86.09690	7.4
86.99030	0.4
87.00807	0.5
87.05563	1.2
87.10015	0.5
88.02185	0.5
88.03979	1.1
89.03862	0.3
91.05455	6.2
92.05798	0.4
93.03378	0.9
93.07045	1.4
93.07549	0.3
95.04939	0.7
95.08578	0.6
97.01057	0.3
97.02865	1.7
97.06536	0.4
98.06032	0.6
99.04412	1.4
100.02173	0.6
100.04736	0.5
100.07594	1.7
102.05484	0.3
103.03914	1.6
103.05446	0.4
104.04195	0.3
104.05303	1.0
105.00060	0.3
105.06998	1.1
107.04941	0.9
107.08546	1.3
109.02853	1.3
109.06481	0.6
109.10129	0.7
110.06030	4.5
110.06839	0.3
110.07150	0.6
111.04398	0.5
111.06348	2.0
111.08051	0.4
112.08712	0.4
114.09113	0.3
115.08691	0.5
116.06312	0.3
116.07053	1.4
117.03359	0.8
117.06990	1.8
119.04928	1.0
119.08556	19.8
120.01137	5.4
120.04366	0.3
120.08069	1.7
120.08883	0.6
121.06525	0.4
121.10128	1.2
122.02705	0.5
122.05991	0.6
123.04404	0.9
123.08050	0.6
125.00551	4.1
125.05977	0.5
125.09646	0.3
126.09098	0.3
127.03890	3.3
127.08640	0.7
128.04233	1.1
129.06938	1.0
129.10223	2.1
130.04962	0.5
130.06470	0.5
130.08574	1.3
131.04901	0.5
131.08490	0.5
132.05656	0.3
133.10126	0.5
133.29597	0.2
134.02682	0.3
134.05948	0.5
135.06335	0.5
135.08009	0.8
136.07582	0.5
137.05940	0.8
137.09526	0.4
139.03854	0.3
141.10228	0.3
142.08591	0.4
143.11836	0.5
145.02818	1.4
145.04926	1.1
145.06444	0.4
145.09737	0.5
146.02652	0.6
146.06233	0.7
147.04385	1.1
147.08015	15.0
147.11214	0.5
148.08376	0.3
149.05940	0.8
149.09630	0.9
150.05429	0.5
151.03876	1.6
151.05740	1.0
151.07495	1.2
151.11177	0.7
151.98317	0.3
152.07008	0.7
155.08165	0.4
157.07573	0.3
159.07936	0.3
159.11649	0.4
161.05988	0.4
161.09569	0.4
162.08992	0.3
163.03885	0.3
163.05927	0.5
163.07457	0.6
163.11125	0.5
164.02835	0.5
165.05450	0.4
165.09081	1.2
167.07036	0.7
167.09331	0.5
169.08556	0.4
169.12128	0.5
171.11331	0.5
172.07468	0.5
173.07874	0.4
173.09264	0.8
173.13029	0.4
174.09175	0.3
175.07504	100.0
176.07938	2.5
177.05432	3.6
177.07770	0.4
177.09081	2.2
179.05267	1.3
179.06856	0.3
181.04800	0.4
181.08522	0.4
186.12358	0.3
187.05779	0.4
189.09019	0.3
192.10107	0.5
200.06992	0.9
201.07341	1.3
201.12303	0.9
204.13426	0.8
207.04721	7.5
207.06506	0.7
213.12276	0.7
216.09859	0.4
218.03928	0.5
218.08009	0.4
219.08395	0.5
219.13751	0.7
226.08063	0.3
229.11824	0.7
229.15430	0.8
234.09448	0.3
234.12401	0.3
235.05959	0.4
237.14836	0.8
250.08882	1.0
255.15807	0.6
261.14468	0.3
272.09384	1.1
278.08618	0.4
285.28729	0.3
293.08267	0.3
296.09451	16.9
297.03970	0.4
297.09698	0.7
301.18558	2.2
303.08563	1.2
365.27283	0.3
371.10739	0.3
381.13950	0.3
382.36746	0.3
399.14761	1.0
416.71756	0.6
417.11298	9.8
417.16321	1.8
417.25656	0.4
418.11389	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.1
55.01857	1.8
55.05497	2.0
55.56038	0.6
56.05017	0.7
57.03420	3.9
59.04989	48.3
61.02913	1.0
65.03920	0.9
67.05498	3.5
69.03426	4.6
69.07068	3.4
70.06580	7.0
71.01319	0.9
71.04973	2.3
71.52413	1.2
72.08144	3.9
73.02895	2.6
73.06564	1.4
75.04455	0.9
76.19905	0.6
79.05476	5.2
81.03391	3.3
81.07047	7.4
82.06588	1.5
83.04973	2.7
84.04482	2.0
84.08133	7.3
85.02886	7.9
85.06525	2.0
85.08475	1.1
86.03210	0.9
86.09688	10.6
87.00809	1.1
87.04445	7.2
87.10023	1.5
88.02203	3.4
88.03908	0.8
89.06014	100.0
90.06369	1.3
91.05462	5.5
91.07610	0.6
93.07030	12.1
94.06540	0.8
94.07336	0.8
95.01318	1.0
95.04955	4.1
95.08584	6.4
96.04484	1.2
97.02897	3.0
97.06504	1.8
99.04432	1.8
99.08073	0.9
100.07629	1.2
101.06034	0.9
103.03919	2.7
103.05450	2.0
103.07559	3.7
105.01813	0.7
105.07012	6.4
107.04956	3.7
107.07052	4.5
107.08562	5.9
109.02853	2.5
109.06500	2.6
109.10139	4.0
110.06041	0.9
110.07141	1.5
111.04419	0.8
111.08068	2.2
113.02293	1.0
113.05983	1.2
115.05492	1.6
115.15327	0.6
117.06997	2.5
117.09119	2.6
119.04930	1.8
119.08551	4.2
120.08101	1.6
120.08894	0.8
121.06477	2.9
121.10120	15.5
122.05993	1.1
122.10454	0.8
122.90477	0.6
123.04414	2.9
123.08064	2.3
123.10918	0.7
123.11675	3.7
124.03931	0.9
124.07589	1.5
125.05996	1.5
125.09550	0.7
125.13267	1.2
127.03904	5.3
128.07037	1.2
129.10217	2.3
130.06479	1.6
130.08623	2.5
131.04904	4.3
131.06973	1.3
131.08578	2.6
133.08574	58.4
133.10135	2.9
134.08887	1.8
135.08037	1.8
135.11635	1.6
137.05925	2.4
137.09636	1.0
138.05446	1.3
138.09103	1.5
139.03893	0.8
139.07535	1.1
139.11131	1.7
140.07082	1.2
141.01840	1.6
142.08658	0.8
143.08554	1.8
145.04970	1.3
145.06464	2.9
145.10138	2.0
147.04388	0.7
147.08037	1.1
147.10147	1.6
147.11574	1.2
149.04489	1.0
149.05989	1.1
149.09581	7.0
150.09129	0.9
151.03899	0.8
151.07594	0.9
151.09619	0.8
151.11176	1.5
151.14839	0.6
153.09099	0.6
154.08601	1.8
157.07564	0.8
157.10155	1.0
158.05959	0.9
159.07948	1.1
159.11722	0.8
161.05910	0.6
161.09596	1.3
161.11729	2.2
163.07579	0.8
163.11189	0.8
165.05493	1.0
165.09169	1.1
167.07002	25.0
167.10605	4.0
168.06396	1.1
169.05133	0.7
169.12198	9.0
169.15718	0.8
173.05927	4.2
173.09561	1.5
175.03918	1.0
175.07466	0.8
175.09711	0.8
177.05428	1.5
177.11194	22.0
177.12625	0.9
179.06976	1.2
181.04921	8.6
181.08478	0.7
183.06601	0.9
185.07071	1.0
185.11728	0.7
185.19472	0.7
187.11205	0.7
191.07011	2.2
195.12239	4.1
201.08961	0.7
205.08560	0.8
207.06595	1.3
217.08543	2.7
217.15778	1.5
218.16225	1.5
219.10144	1.1
221.13844	1.4
233.08125	2.2
233.11739	1.7
233.36034	0.7
235.09576	1.0
235.17062	0.7
236.17220	2.8
239.14818	4.8
241.14342	1.6
249.11339	0.8
251.12689	3.5
254.18108	1.2
265.16705	0.8
278.05429	0.7
283.17462	53.3
284.17844	1.8
286.12234	1.0
297.18774	0.7
341.21628	19.7
342.22067	1.5
380.20874	0.7
380.69650	0.9
381.15350	1.4
387.14230	3.7
398.21771	1.1
399.15771	1.0
399.25803	20.9
400.26135	1.6
416.16241	2.1
416.21652	1.1
416.28879	1.7
416.71082	0.9
417.15338	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	416.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	1.3
55.01868	6.2
55.05492	1.3
57.03425	1.6
59.04709	1.1
59.04992	18.4
67.05482	2.9
69.03409	3.2
69.07049	1.3
69.39663	9.2
70.06579	10.2
71.04962	1.4
72.08149	4.7
73.02912	11.6
73.06532	2.1
76.19244	1.0
79.05484	5.4
80.04987	1.5
81.03391	1.5
81.07038	3.5
82.06575	2.4
83.79585	1.0
84.04482	2.1
84.08138	5.3
85.02864	3.8
85.06493	1.3
86.09692	13.8
87.04459	34.0
87.10044	1.2
88.02197	3.0
89.06015	100.0
90.06369	1.2
91.05460	5.0
93.07023	8.6
94.06538	3.3
95.01280	1.2
95.04948	3.5
95.08563	1.3
97.02843	1.3
97.06480	1.5
99.04435	42.4
100.07582	1.9
102.05493	1.0
103.03924	89.1
103.07550	3.8
105.07017	6.4
107.04913	1.1
107.07038	4.2
107.08572	3.1
108.08115	1.4
109.02820	1.2
109.10157	1.8
110.07153	2.7
113.02376	1.4
116.07053	1.0
117.05479	26.7
119.04883	1.8
119.07054	2.3
119.08570	2.9
120.08067	2.3
121.08620	2.8
121.10135	17.8
122.06025	1.2
123.08012	1.6
124.07553	3.8
127.03889	1.8
129.10194	1.7
130.04964	1.7
130.08595	3.0
131.07065	7.1
131.08537	2.0
133.08582	63.1
133.10115	2.4
134.02681	2.5
135.11656	2.4
136.07542	3.8
137.05959	1.8
140.07030	1.2
142.08607	4.4
143.11806	1.7
145.10049	1.7
147.04434	1.5
147.06490	9.1
147.07771	1.8
147.10197	1.6
147.11516	1.3
149.09572	11.4
154.08580	10.2
161.08073	3.8
163.09659	2.2
163.11116	1.5
165.09044	1.6
167.06984	2.6
167.10692	1.4
171.11275	1.3
175.09618	5.0
177.05388	1.5
177.11194	19.7
191.07448	1.1
191.09099	6.4
191.12724	1.2
193.08478	1.2
195.12332	1.7
197.08043	1.8
198.08519	1.6
199.13246	1.3
205.10725	1.7
207.06468	1.5
207.12326	5.2
209.13750	1.2
219.12201	1.4
220.06743	1.2
221.13829	5.9
223.10759	1.8
235.11726	7.2
239.14821	2.7
239.17448	1.1
246.14613	1.7
249.13228	1.4
253.68539	1.0
264.20523	1.0
283.17517	5.3
295.17435	3.2
297.15186	1.6
309.18887	1.9
313.18567	4.3
323.16812	2.0
327.20053	2.2
341.17987	23.5
353.21631	3.5
368.20758	1.8
380.20490	1.5
381.20981	2.3
398.21567	4.3
399.22137	24.0
416.16498	1.4
417.15884	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	416.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.6
55.01864	2.0
55.05499	1.7
56.05025	1.1
57.03423	3.3
59.04984	1.7
61.02919	2.2
65.03925	2.0
67.05476	0.8
69.03420	14.9
69.07050	2.6
69.68906	5.0
70.06583	13.5
71.05000	4.5
72.08147	7.7
73.02906	4.7
79.05481	1.7
80.05010	1.0
80.27824	0.9
81.03409	19.9
81.07018	1.3
82.02647	0.7
82.06561	1.1
83.04945	1.6
84.04495	2.6
84.08124	6.5
85.02896	45.1
85.06499	0.8
86.06047	0.9
86.09695	24.3
87.04450	1.2
87.05605	1.6
88.02234	1.6
88.03980	1.4
91.03985	0.8
91.05463	4.3
92.04990	4.5
92.92490	0.9
93.07022	0.9
95.04965	1.8
97.02881	21.9
99.04440	27.7
99.35044	0.9
100.07608	1.7
102.05518	1.6
103.03931	39.2
105.03318	0.8
105.07003	2.3
106.06544	8.1
107.08562	1.0
108.04434	1.9
109.02860	19.7
109.05264	6.2
110.06026	100.0
111.04416	3.1
111.06339	1.5
111.07471	0.9
115.03885	0.9
116.07077	2.2
119.04928	2.7
119.08559	3.1
120.01208	1.3
120.04446	3.6
120.08084	3.9
121.06524	0.9
122.06019	6.3
124.07544	1.4
127.03902	58.6
128.04192	1.1
129.10207	2.6
129.94890	0.7
130.08647	1.0
131.04961	1.6
132.04480	0.9
133.06120	3.3
134.02644	1.0
134.05984	16.3
136.07495	0.9
137.02258	0.8
137.05960	1.4
143.11778	2.7
144.08035	1.6
145.04950	25.1
145.06212	1.5
146.05995	3.2
147.04424	5.5
147.08009	2.0
148.07526	1.8
148.49861	0.8
149.09538	1.4
149.14410	0.7
152.07042	16.8
158.06003	1.6
160.07564	0.8
160.71544	0.7
161.05968	0.9
162.09056	1.0
163.05995	7.5
164.07106	1.9
169.04930	2.0
170.65103	1.2
171.11342	1.5
172.07538	13.1
174.09161	1.0
175.03854	2.1
175.07498	10.6
176.06987	6.4
177.05421	2.2
187.05960	6.8
190.08588	0.9
200.07034	38.1
201.07487	0.9
205.07082	2.7
207.04703	1.8
207.06526	5.2
218.08081	10.2
229.15428	1.0
236.09039	4.4
245.30812	0.8
246.14456	1.5
254.10295	2.9
255.15939	1.5
271.08041	4.7
284.19763	1.0
289.09134	2.2
296.09641	2.7
307.10037	1.1
362.12286	3.7
380.13248	9.6
385.02023	0.9
398.14334	11.8
416.15350	20.0
417.11365	1.4
427.64206	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.5
58.99583	0.4
59.05009	0.5
67.05481	0.5
69.07054	0.4
69.72633	1.1
69.73062	1.6
70.06571	2.7
70.38212	0.3
71.43910	0.4
72.08131	1.4
73.02911	0.6
73.06535	1.2
77.13669	0.4
79.05474	0.7
79.85091	0.3
81.07032	0.6
83.04985	0.4
84.04436	0.5
84.08118	1.6
85.02888	1.2
86.09690	3.0
87.04454	6.4
88.02203	2.5
89.06014	100.0
90.06343	1.0
91.05450	0.6
91.07573	0.5
93.07024	1.0
95.04940	0.4
95.08580	0.5
98.21435	0.5
99.04459	0.6
103.03967	0.5
105.07014	0.9
107.07043	2.8
107.08552	0.9
107.72294	0.4
109.02873	0.6
109.06438	0.4
116.07053	0.4
116.34251	0.4
117.05502	0.6
117.09141	0.7
119.08562	1.1
119.35213	0.4
120.08096	0.4
125.97281	0.4
127.03860	0.4
129.10202	0.5
130.08601	1.2
131.07040	2.0
133.08580	58.0
134.02661	0.9
134.08954	0.6
135.10138	0.5
135.11668	0.5
136.07526	0.4
137.02330	0.6
137.05882	0.6
145.09996	0.3
149.09576	0.7
160.42714	0.4
175.09618	0.6
177.11203	16.2
177.12653	1.1
179.07053	0.5
191.10603	0.4
195.12093	0.5
201.12259	0.7
217.15826	0.6
221.13838	2.7
223.15398	0.4
239.14749	1.1
253.17972	0.5
283.17462	0.9
327.19922	0.6
371.22592	1.2
415.19843	0.7
415.25327	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	416.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02354	0.2
53.03921	0.5
55.01871	0.2
55.05516	0.2
57.03412	0.4
60.04494	0.2
67.05488	0.3
67.66271	0.2
69.03419	0.4
69.07043	0.3
69.58083	1.3
70.06581	1.7
72.08143	0.9
72.89371	0.2
73.02885	0.4
79.05481	0.4
81.03380	0.3
81.07056	0.5
83.04939	0.4
84.04486	0.2
84.08116	0.5
85.02881	1.4
85.09426	0.2
86.09692	1.1
87.04461	0.2
89.06009	0.2
91.05466	0.5
93.07040	0.8
95.01320	0.9
95.04945	0.7
97.02888	0.2
103.05450	18.4
104.05773	0.5
105.04472	0.2
105.07013	0.5
107.04920	0.4
107.08582	0.5
108.08889	0.2
109.06445	0.2
109.10160	0.3
110.07166	0.3
111.08043	0.2
112.03445	0.2
112.08722	0.2
113.02338	0.4
119.08565	0.3
120.08073	0.3
121.10131	1.5
123.11737	0.4
129.10205	0.2
131.04907	100.0
132.05226	2.4
135.07968	0.2
137.05972	0.3
141.01816	1.7
145.05008	0.3
145.10033	0.2
149.09589	1.5
167.07059	1.5
168.07196	0.2
169.12227	0.7
173.06068	0.3
174.03958	0.2
181.04915	0.6
205.08665	0.5
218.16299	0.2
223.09615	9.0
224.10040	0.2
231.12283	0.2
235.16798	0.2
236.17360	0.2
289.07040	0.3
307.08054	3.8
315.05182	0.2
368.00394	0.2
381.11682	0.4
387.14462	0.2
398.16602	0.2
416.19034	0.3
417.15311	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.4
55.01865	1.2
55.05506	1.6
55.69571	0.7
56.50534	0.7
57.03428	3.1
59.04991	1.7
60.04522	0.7
61.02908	2.1
65.03930	2.4
67.05484	1.2
69.03426	15.5
69.07047	2.2
69.25213	0.7
69.53146	5.6
70.06584	10.0
71.04990	3.8
72.08150	6.1
73.02911	4.6
73.98782	0.7
74.06071	0.7
79.05445	1.5
81.03410	19.9
81.07045	1.3
82.06583	1.1
83.04958	1.3
84.04498	1.5
84.08130	3.4
85.02898	44.2
86.03220	1.1
86.09698	19.3
87.04446	2.2
87.05579	1.3
88.02193	1.5
89.06036	0.8
91.03949	1.0
91.05445	4.1
92.04990	5.1
93.07011	0.9
95.04962	2.4
97.02880	21.6
98.20750	1.3
99.04443	27.2
102.05556	1.2
102.15406	0.7
103.03931	37.0
105.07018	1.3
106.06538	8.8
108.04478	1.1
109.02871	18.2
109.05220	4.9
109.06450	1.3
110.06029	100.0
111.04426	2.2
111.06396	1.7
115.03914	1.2
119.04942	2.7
119.08562	1.8
119.55145	0.8
120.04458	2.9
120.08086	2.4
121.06489	1.0
121.10068	1.2
122.06007	6.2
127.03904	59.8
128.04245	1.2
129.10239	2.8
131.04910	1.6
132.04428	0.8
133.06148	1.7
134.06010	15.4
136.07578	2.1
137.05984	1.2
143.11795	1.0
144.08069	2.1
145.04941	24.2
146.06058	4.0
147.04419	6.1
148.07529	1.4
152.07053	16.2
158.06038	1.3
162.09116	1.2
163.05983	6.5
163.11174	1.1
164.07053	2.5
167.07047	0.8
169.04955	1.4
171.11342	1.0
172.07556	12.6
174.05557	1.2
175.03917	4.0
175.07565	5.2
176.07065	7.5
177.05446	1.0
178.41049	0.8
181.12193	0.9
187.05991	8.4
187.07458	1.1
190.08588	1.9
192.83759	0.8
200.07051	39.1
205.07025	3.0
207.06505	7.3
218.08115	8.3
236.09171	4.8
254.10210	3.0
255.15900	1.6
271.08136	5.4
277.15482	1.3
284.19589	1.0
289.09082	2.2
296.09418	1.1
307.10382	1.7
362.12317	2.8
380.13412	6.3
398.14413	13.0
416.15359	20.4
416.21545	1.2
416.23611	1.3
417.16040	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13794	0.7
54.02721	0.7
54.56355	0.6
55.01841	0.8
55.05514	0.9
56.05015	1.1
56.96551	1.6
57.03429	5.8
57.07068	5.2
57.49943	0.7
58.45589	0.7
58.57187	0.6
61.02917	9.0
65.03956	1.0
67.05140	0.7
67.05494	13.9
69.03421	8.2
70.06583	10.5
70.30433	2.9
71.01348	1.5
71.04972	0.9
72.08125	2.8
73.02905	9.6
81.03379	1.9
82.06557	0.8
83.04968	1.5
83.06090	1.1
84.04478	1.9
84.08134	4.8
85.02888	15.1
85.06531	52.3
86.09699	4.7
88.02184	1.3
88.07624	0.7
89.03893	1.4
89.10744	0.8
91.05421	3.2
94.06547	4.4
95.04972	0.8
95.06062	1.2
97.02872	8.5
98.97559	2.4
99.04438	1.6
103.07562	13.3
106.06548	2.3
107.04948	1.0
109.02847	1.8
109.27074	0.7
110.06039	2.2
110.07162	1.3
111.09167	1.9
112.07600	0.7
113.02287	0.7
115.03925	5.9
116.98613	2.1
117.03327	2.6
117.52570	0.7
119.04932	4.3
119.08574	1.7
121.08601	28.9
122.06007	4.7
123.00694	0.6
123.04409	1.1
125.03447	1.0
127.03876	3.0
127.05033	0.8
130.04144	1.1
130.08589	4.0
131.04893	1.6
133.04892	0.9
134.02704	1.1
134.99667	0.6
135.04443	1.6
137.05923	1.2
138.05449	1.6
139.03883	0.7
140.07001	1.0
141.01805	0.9
145.02811	4.9
145.04945	3.1
146.99602	1.0
147.04393	12.0
147.08002	1.0
148.04738	1.1
149.07130	0.8
150.05478	100.0
152.05806	0.8
152.07042	2.3
153.05377	0.7
153.07802	1.7
155.11714	0.8
162.05478	0.8
163.03864	2.6
165.05353	0.9
166.08640	1.4
167.07159	1.9
168.06535	43.5
175.03891	2.1
176.04591	1.9
177.05446	9.3
179.07094	0.8
181.04898	1.7
199.07851	0.7
199.09674	2.0
201.12303	1.3
202.04909	0.7
206.05669	1.2
207.06470	2.0
215.16014	0.8
219.01581	1.0
223.06105	1.4
224.06825	1.1
237.02817	2.1
253.11977	1.2
253.16493	1.0
254.11411	3.4
283.04755	0.7
297.19162	0.8
344.97720	1.0
415.05508	1.7
415.16461	1.3
415.21292	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	415.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.9
53.18926	0.7
55.01865	3.7
55.05495	1.9
57.03428	7.3
59.04980	2.9
60.58126	0.6
61.02921	0.8
64.28643	0.6
65.03923	1.1
67.05489	2.4
69.03419	3.8
70.06580	10.7
70.80861	2.0
71.01331	6.4
71.04968	1.2
72.08137	3.0
73.02901	9.0
75.04459	2.5
79.05473	5.5
81.03398	4.1
81.07049	2.1
82.06576	0.8
83.01345	1.1
83.04959	1.2
84.04473	0.8
84.08136	4.6
85.02890	21.1
85.06494	0.7
86.09671	3.5
87.04443	0.8
88.02201	2.1
89.06024	5.3
91.04888	1.6
91.05462	31.6
92.05788	0.9
93.03409	1.0
93.05493	1.9
93.07023	19.7
94.70370	0.7
95.01315	5.4
95.04946	2.7
95.08591	2.4
95.73589	0.7
96.00827	0.8
97.02882	5.6
99.00782	2.1
99.04449	5.5
101.02366	2.0
101.59363	0.7
103.03950	5.6
103.05462	2.1
104.04279	0.7
104.06239	1.2
105.07004	5.9
107.04929	1.2
107.08553	2.2
109.02861	4.3
109.06546	1.1
109.10178	1.2
110.06021	1.0
110.07128	1.7
113.02363	6.3
115.03933	0.8
115.05438	1.0
116.07069	1.9
117.05516	0.8
117.07000	9.3
119.04916	2.5
119.08560	100.0
120.08121	1.0
120.08900	3.7
121.06469	2.2
121.10077	1.5
123.04425	2.1
123.08047	1.7
127.03908	7.0
127.05013	15.0
128.01633	0.6
128.06204	1.0
129.06978	3.6
129.10315	0.9
130.08595	2.1
131.03371	3.3
133.08592	2.0
133.10083	1.5
135.08025	1.4
136.07513	0.7
137.05974	2.0
137.09558	3.1
138.09134	1.2
141.01797	9.4
142.08684	0.8
143.08482	1.6
143.11765	1.0
145.04935	2.3
145.06490	1.3
147.04350	4.4
147.08017	60.3
148.08392	2.1
153.06612	0.6
155.07053	1.1
159.02866	2.4
159.07976	0.7
159.66164	0.7
161.09604	1.9
163.03860	1.4
163.06065	1.1
165.09090	28.6
167.07018	1.7
169.06128	0.8
175.03860	0.8
176.04675	0.8
177.05455	2.0
179.06934	1.0
181.04872	0.8
183.10191	0.7
187.05896	0.8
189.09160	1.4
191.03308	1.1
194.54565	0.8
195.12259	3.3
197.12683	0.7
200.19810	0.7
201.08859	0.8
204.04028	0.8
204.06343	0.6
206.50084	0.6
207.06380	0.8
213.12451	0.9
215.05536	2.7
221.11710	7.3
224.06789	1.0
233.06555	1.4
237.13359	2.0
239.12738	9.4
253.06976	2.4
253.16446	3.0
257.38699	0.9
263.12711	1.0
269.08029	0.9
271.09341	0.9
279.76459	0.7
305.10208	1.3
323.11224	1.6
389.41354	0.6
397.14960	3.3
407.73526	0.7
415.06708	1.0
415.15973	8.3
416.15747	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	413.3618
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07421	0.8
53.03919	1.6
55.01859	1.6
55.05501	34.9
56.05826	1.4
57.03432	11.2
57.07066	32.1
58.07425	0.9
63.86659	0.8
64.50500	0.7
67.05494	14.8
69.01260	0.7
69.07056	49.3
69.38678	4.4
69.39107	3.2
70.06577	1.2
71.05015	0.9
71.08617	22.3
77.08392	0.8
78.99715	0.6
79.05464	6.0
81.07044	20.8
83.04980	2.4
83.08604	30.9
85.06531	1.5
85.10165	12.4
91.05482	2.0
93.07032	9.8
95.08151	0.5
95.08592	17.6
97.06532	7.0
97.10145	19.4
99.08086	1.1
99.11722	1.0
101.06001	2.3
105.06985	1.8
107.08559	6.6
109.10130	9.6
111.08057	4.1
111.11678	5.8
115.07562	2.3
115.08656	1.5
121.10132	9.4
123.11697	4.4
125.09647	4.1
125.13229	1.8
135.11662	8.2
137.13264	1.6
139.11169	5.8
143.10677	1.6
149.13252	6.8
153.12685	3.1
154.44214	0.8
155.14526	0.9
163.14818	4.1
167.14255	2.4
167.17888	0.8
171.13727	1.1
177.16382	3.0
181.15903	1.2
185.15311	0.9
191.17932	1.7
195.17456	1.6
206.57410	0.8
209.18954	1.0
216.04161	5.1
219.21034	1.1
223.20575	1.3
231.06487	5.4
232.06709	1.1
237.22020	1.3
251.23695	1.5
303.30417	3.4
308.54056	0.9
321.31467	11.9
339.32584	0.9
366.66846	0.8
372.17456	2.8
383.10892	0.9
395.35233	13.5
413.28226	12.3
413.36209	100.0
414.36713	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	415.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50130	3.0
68.26166	3.1
69.47098	24.1
69.47511	6.6
70.06566	11.8
72.12490	2.9
77.99733	4.3
84.08138	25.5
112.07571	7.7
130.08655	21.4
136.93953	4.9
140.06981	6.2
146.08054	8.6
150.95526	5.3
165.53938	3.4
169.50490	3.6
177.79573	3.7
186.05994	5.0
188.07591	8.2
204.88118	3.3
206.08800	7.7
221.59500	4.7
224.07555	4.1
226.97162	10.2
242.08795	3.9
252.47142	3.4
286.07788	4.2
286.13806	4.5
304.08905	5.2
415.09958	100.0
415.14920	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	415.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02341	0.5
53.03940	1.4
55.01843	1.6
57.03424	5.9
58.10100	0.5
60.42849	0.4
65.03931	0.6
67.05492	1.3
68.36232	0.5
69.03407	2.2
70.06569	2.0
70.68401	1.0
70.68772	1.0
71.01345	4.0
73.02893	5.1
75.04478	2.6
79.05471	3.2
81.03396	1.8
81.07028	1.4
83.01365	0.6
84.04495	0.7
84.08111	1.2
85.02889	11.1
86.09679	0.9
91.05462	26.2
92.05759	0.6
93.03408	1.2
93.05492	3.1
93.07021	12.0
95.01305	5.1
95.04949	1.2
95.08585	2.9
97.02872	2.1
99.00796	1.1
99.04440	1.1
100.07599	0.7
101.02382	1.1
103.03920	2.7
103.05428	1.4
104.06226	0.9
105.03358	1.0
105.07008	3.6
107.08565	1.9
109.02829	3.2
109.06477	0.6
109.10134	1.1
113.02367	5.2
113.25968	0.4
115.05441	1.1
117.06995	6.5
119.08558	100.0
120.08898	2.4
121.06469	0.6
121.10118	1.8
123.04405	1.9
127.03857	1.0
128.06258	0.8
129.05458	0.7
129.06973	1.9
130.08635	0.6
131.03365	3.0
131.08508	1.6
132.04420	0.6
133.06441	0.5
133.10123	1.0
135.08017	1.9
137.05965	1.1
137.09604	2.9
141.01804	8.9
143.08496	1.0
145.04958	0.5
145.06403	0.6
147.08018	56.5
148.08359	2.3
149.09558	1.7
155.06926	1.0
159.02890	2.0
159.07982	1.0
161.09602	2.1
163.06064	0.5
165.09079	21.5
166.09438	0.8
167.07013	0.5
171.07968	0.6
179.07047	0.8
183.10094	0.9
189.09048	0.8
201.09073	0.5
213.08946	0.5
215.05453	1.8
221.11699	3.9
223.13206	3.2
233.06511	0.9
239.12743	11.6
241.08641	0.8
259.09488	0.6
277.10745	1.4
287.09134	0.8
295.11984	0.6
305.10208	1.6
323.11111	1.0
325.25494	0.6
379.13757	0.8
379.34091	0.6
385.14926	0.6
397.14835	2.8
415.15997	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	413.362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00273	0.5
53.03937	0.6
55.01863	0.7
55.05504	31.5
57.03154	0.6
57.03430	12.3
57.07069	32.6
58.07406	0.4
59.04990	0.9
65.03922	0.5
67.05496	11.2
69.03398	0.7
69.07058	39.0
70.06580	0.6
70.07397	0.4
71.04975	1.3
71.08623	20.9
71.13232	0.9
73.06541	1.1
75.04472	0.6
79.05480	4.8
81.07042	16.9
83.04990	1.8
83.08607	26.8
85.06540	1.4
85.10166	10.9
87.04436	0.7
87.08050	0.4
90.80972	0.4
91.05473	0.9
93.07029	8.4
95.08591	16.1
96.08911	0.5
97.06515	6.2
97.10154	18.6
99.08089	0.9
99.11710	0.8
101.06024	0.8
105.07008	0.6
107.08578	6.3
109.10140	8.6
111.08067	4.0
111.11699	5.7
112.12067	0.5
113.13263	0.7
115.07555	1.6
121.09319	0.6
121.10129	7.4
123.11678	3.2
125.09613	3.5
125.13264	1.2
127.44614	0.4
129.09100	1.3
135.11670	6.2
136.12007	0.5
136.87991	0.4
137.13242	1.2
139.11133	4.1
143.10678	1.5
149.12151	0.5
149.13249	4.3
151.14786	0.5
153.12756	3.0
153.41148	0.4
157.12231	0.8
163.14804	2.9
167.14273	2.1
171.13808	1.0
177.16377	2.6
181.15817	2.0
185.15369	0.8
191.17924	1.9
195.17412	1.1
196.93279	0.4
199.16960	0.6
205.19501	1.5
209.18983	1.4
213.18457	0.8
219.21008	1.0
223.20595	1.1
227.20117	0.7
233.22644	1.2
237.22185	0.7
247.24176	0.5
251.23705	1.1
279.26971	0.4
303.30450	4.4
321.31476	11.7
322.31979	0.6
338.52213	0.5
339.32535	0.8
377.31757	0.4
395.35129	12.9
396.35516	1.1
413.36203	100.0
414.36487	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	413.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00745	2.4
52.38738	2.5
53.03931	4.4
55.01847	9.2
55.05498	6.3
57.03430	15.1
57.16213	2.4
59.04971	3.6
61.02908	3.4
61.17466	2.6
67.05478	11.7
67.72569	2.6
69.03415	36.1
69.07050	5.6
70.06564	6.4
71.01330	7.5
73.02908	18.3
75.04459	2.6
79.05475	20.4
81.03386	9.3
81.07034	18.8
83.04945	8.8
84.08134	26.4
85.02885	22.6
86.09668	2.6
87.04429	6.4
91.05451	21.7
91.36261	2.4
93.07027	91.0
95.04957	23.3
95.08604	15.0
96.82068	2.3
97.02876	44.5
97.06520	3.5
99.04440	3.6
103.05475	4.2
105.07014	28.5
107.08543	16.0
109.02831	2.8
109.06487	11.7
109.10096	5.7
111.04427	4.9
111.08059	5.2
113.06087	2.9
115.03922	16.2
115.05434	3.3
117.06986	7.6
119.08562	37.0
121.06471	8.6
121.10119	100.0
122.10390	3.2
123.04398	4.3
123.08055	9.7
123.11654	3.1
125.05960	2.8
129.06978	6.3
130.08681	4.4
131.04887	6.6
131.08508	15.2
133.04944	5.8
133.06462	3.1
133.10077	10.1
135.08028	5.0
137.05963	6.2
139.03918	2.8
143.08548	5.4
145.10104	12.3
147.07968	7.9
147.11639	4.3
149.09593	61.7
151.07536	6.5
157.10069	3.5
159.11687	3.9
161.09525	5.3
163.11183	6.5
167.07013	13.6
167.10687	9.7
169.10197	3.7
173.09637	4.1
173.13249	3.2
175.11118	3.9
187.11151	3.4
189.08995	3.7
191.10640	8.9
199.11154	4.3
205.12218	3.1
215.10585	5.3
217.12053	3.5
281.13766	20.4
323.14816	3.1
395.32587	5.7
413.09152	3.3
413.16367	6.1
413.34192	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	413.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.2
53.93267	1.8
55.01862	26.9
55.05498	12.4
57.03428	29.4
57.07067	54.9
59.04996	2.8
61.02905	8.3
67.05499	13.2
69.03416	30.9
69.07056	23.3
70.06194	2.7
70.06582	24.9
71.04983	6.8
71.52101	3.8
72.08148	4.1
73.02905	16.7
73.06550	6.4
79.05479	6.5
81.03404	19.3
81.07040	48.1
83.04964	11.9
83.08591	7.9
84.08139	5.9
85.02892	100.0
85.06532	23.0
86.09689	10.6
88.02200	1.9
91.03923	4.0
91.05453	6.9
93.07016	8.7
95.04958	17.6
95.08594	13.8
97.02865	11.2
97.06518	9.6
98.09664	2.6
99.04443	12.6
99.08076	43.9
100.07593	3.3
102.05531	2.1
103.03931	2.4
105.07007	7.9
107.04939	2.3
107.08582	8.1
109.02853	16.2
109.06507	14.6
109.10144	30.2
110.07165	3.2
111.04441	2.4
111.08064	18.7
112.11150	2.4
113.05975	2.9
113.09634	4.0
115.03928	2.3
119.08584	2.8
120.07985	1.7
121.06448	4.5
122.02709	2.0
123.08022	3.3
124.07580	3.1
125.05948	1.9
127.03894	46.2
127.09574	1.9
127.11162	36.8
129.10204	2.0
131.08585	3.8
133.06413	2.1
133.10109	4.3
134.65971	1.7
135.08060	6.0
135.11682	4.8
136.07541	4.1
137.05972	5.4
137.09581	3.5
137.13239	4.8
145.02821	2.0
145.04935	29.2
147.04413	4.3
147.08025	2.4
148.07558	5.4
149.09602	5.4
149.11757	3.3
151.11168	12.6
153.09062	2.5
153.12730	45.6
153.99919	1.8
155.14281	97.3
155.15553	4.9
156.14664	3.0
156.46379	1.9
157.09662	2.4
159.08064	3.7
161.09581	3.0
163.05991	9.3
164.07048	4.1
165.09125	1.9
171.13765	24.4
177.05467	5.7
177.09067	2.9
177.12709	3.8
182.08087	3.3
195.13780	8.0
217.12154	3.1
217.76704	1.8
225.00615	5.8
233.15372	5.2
234.10965	1.9
243.01663	2.5
271.15399	2.6
289.16489	4.1
298.17447	2.5
333.10025	2.8
333.18930	3.8
369.12115	6.6
413.14722	2.3
413.22443	3.0
414.16913	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	413.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	3.5
55.01866	6.4
55.05502	5.3
56.05008	1.7
57.03426	6.7
57.07064	14.2
58.06580	1.5
59.04995	10.2
61.02908	3.4
66.30101	1.0
67.05231	0.9
67.05502	10.7
69.03414	26.3
69.07058	13.6
69.33411	11.3
70.06582	10.4
71.04979	4.2
72.08137	4.8
73.02899	9.9
74.06029	1.1
75.80200	1.1
76.02315	0.9
79.05470	5.0
80.04980	1.1
81.03413	11.3
81.07043	7.3
83.01345	2.0
83.04952	2.7
83.06116	1.1
83.08601	2.9
84.04479	2.4
84.08129	6.7
85.02892	47.7
85.06535	12.3
86.09696	9.9
87.04469	1.7
87.08181	1.1
88.03954	1.4
91.03942	1.4
91.05457	3.5
93.07039	5.8
95.04956	2.5
95.08592	46.0
95.94971	1.0
97.02882	8.7
97.06528	6.8
98.21516	1.9
99.04446	9.2
99.08087	13.5
100.07595	3.1
103.05456	1.2
105.06987	3.1
107.04922	1.4
107.08572	12.7
109.02867	10.1
109.06497	3.0
109.10130	16.7
110.07124	2.1
111.08065	11.0
111.11664	3.0
113.09624	72.0
115.03899	1.4
116.07066	1.7
117.03333	1.9
119.04929	2.5
119.08553	3.2
119.10670	1.5
120.08099	1.8
121.10130	2.1
123.08101	1.1
127.03897	19.0
127.11180	39.7
129.09103	2.3
129.10185	2.2
131.04959	1.7
133.10078	1.1
135.04399	1.1
135.08025	3.0
135.11687	16.7
137.05960	2.2
137.09608	1.7
137.13237	3.1
140.07060	1.4
145.02852	3.2
145.04922	12.3
145.10117	1.6
146.05943	1.3
147.04358	4.5
150.01611	1.3
151.03912	1.7
153.12718	64.2
154.13092	1.7
155.14294	16.6
161.05951	2.1
163.05997	2.5
163.07431	2.4
163.11050	1.2
171.13770	100.0
172.14131	2.7
173.13264	1.1
175.03993	1.7
177.05460	4.9
207.06563	1.8
213.14885	1.9
221.08020	3.0
229.28825	1.2
251.09218	1.6
251.16481	1.6
333.19052	17.1
413.13583	1.7
413.17245	4.9
413.21796	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	413.1409
Annotation	t(6)a
Peak:m/z	Relative Intensity
53.03925	0.3
55.01870	0.5
55.05492	0.7
56.05018	0.6
57.03416	0.8
61.02909	0.6
69.03414	0.9
69.07056	0.5
70.06573	2.4
70.83736	0.6
72.08140	0.8
73.02939	0.4
74.06068	2.3
81.03375	0.6
81.07041	0.3
83.08601	2.0
84.04489	0.7
84.08120	1.1
85.02885	2.1
86.09686	1.1
87.04452	0.3
88.26014	0.3
89.03883	0.4
91.05466	0.9
97.02881	0.8
98.06052	0.3
99.04436	0.4
101.09627	1.6
102.05515	1.2
103.03942	0.6
107.08585	0.3
109.02867	0.4
109.06483	0.3
110.06044	0.4
114.05511	0.3
117.03349	0.5
119.03531	2.5
119.04872	0.5
119.10690	0.6
120.06557	8.7
122.06027	0.2
122.09750	0.2
124.07571	0.7
127.03870	0.6
128.07011	0.3
129.10205	0.6
133.98816	0.2
136.06163	100.0
137.04591	1.7
137.06487	1.1
145.02814	0.8
145.04994	0.3
147.04361	0.4
149.05891	0.3
153.09167	0.3
153.12706	0.6
154.08673	0.3
162.04088	60.5
163.04373	0.8
163.05878	0.4
174.07745	0.3
177.05458	2.0
178.05789	0.3
213.12440	0.4
233.15369	0.8
234.84300	0.3
268.10370	0.8
281.09888	59.2
282.10147	2.0
294.08282	0.4
366.56204	0.3
413.14035	0.5
413.20255	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37505	1.8
53.03930	8.3
53.68978	1.6
55.05501	11.2
57.07063	7.7
67.05491	62.4
69.07059	12.7
71.04978	10.9
71.08620	3.5
71.13454	4.6
79.05475	35.7
81.07041	65.1
82.07425	2.1
83.08603	7.5
85.10179	2.8
89.06009	4.1
91.05461	14.5
93.07030	43.8
93.07617	2.3
95.04981	3.2
95.08592	56.0
95.09177	3.9
97.02880	2.3
97.06510	2.9
97.10149	3.6
105.05491	3.0
105.07030	14.8
107.08582	28.7
109.06492	2.6
109.10139	33.2
117.06982	9.2
119.08557	14.6
121.10121	27.2
123.11681	16.5
126.07220	1.8
131.08533	18.8
133.04919	10.9
133.10098	12.1
135.11676	21.4
137.13248	6.6
139.13654	2.0
145.10103	10.1
147.11665	10.7
149.13245	18.4
156.32417	2.0
159.11690	15.7
161.13277	7.7
163.14822	9.1
173.13187	11.6
175.14883	2.5
177.16403	2.6
179.14326	2.7
187.14787	7.7
201.16283	3.0
219.81984	2.1
233.22617	5.5
243.21045	18.8
261.22089	100.0
262.22430	6.1
279.23196	14.0
308.68423	1.9
349.18649	2.4
411.27429	18.5
411.32404	4.3
437.35062	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	411.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.0
57.07066	76.7
58.04199	2.4
59.04988	18.7
60.19074	1.8
67.05474	3.8
69.07043	4.1
71.08620	100.0
71.14193	2.8
72.05757	3.1
72.39234	1.7
73.06551	2.6
81.07024	8.2
83.08588	4.6
85.10169	82.3
87.04449	10.9
89.06004	8.7
90.01907	23.5
91.05431	2.4
93.07027	2.8
95.08589	7.8
99.11728	8.8
103.07545	3.7
105.06983	2.7
107.08542	3.4
109.10108	4.9
117.09058	2.5
118.43723	1.7
121.10098	3.2
133.10100	4.6
135.11627	3.5
138.28452	1.7
141.16341	8.4
145.10089	2.1
147.11668	2.2
159.11812	2.1
178.07127	2.9
185.19037	2.2
196.08133	4.0
199.20549	14.2
222.09720	2.8
240.10739	6.3
243.23140	3.3
353.41159	1.8
393.35208	2.2
394.27844	2.3
411.36026	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	410.9852
Annotation	Unknow
Peak:m/z	Relative Intensity
64.82871	0.5
70.03574	1.6
70.03964	1.2
70.15862	0.5
78.19690	0.6
174.89575	0.9
196.87738	2.0
212.85211	0.9
214.85028	0.9
230.92184	36.2
248.52113	0.6
268.98129	0.9
318.89963	0.8
318.93781	29.9
410.98483	100.0
411.98990	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	411.1279
Annotation	Aloenin
Peak:m/z	Relative Intensity
53.03924	2.5
55.01852	2.4
55.05486	1.3
56.50039	0.7
57.03426	3.3
58.37044	0.7
59.04993	0.7
60.04507	0.8
61.02909	1.6
65.03928	0.8
67.05477	2.3
68.99783	0.7
69.03416	4.6
69.07052	1.8
70.06585	5.6
70.30585	1.7
71.01347	0.9
71.04998	3.2
72.08124	1.9
73.02895	1.1
79.05456	1.5
81.03418	4.8
81.07005	2.2
83.04946	1.4
84.04472	1.1
84.08117	3.1
85.02892	23.3
85.06531	1.4
86.09669	2.2
87.00839	0.9
91.05447	4.5
93.07016	1.7
93.71040	0.6
95.04942	1.8
95.08595	0.8
96.02075	1.1
97.02878	4.3
99.04444	15.7
99.08031	0.7
100.07538	0.8
103.03923	23.2
103.05426	2.7
105.07004	2.9
107.08551	1.4
107.19823	0.6
109.02860	13.7
109.10120	2.9
110.03691	1.2
111.03696	1.2
111.04414	12.8
115.05435	8.4
116.06996	0.7
117.03339	0.6
117.06985	0.6
119.04903	5.2
119.08554	1.7
120.08044	1.2
121.10136	1.2
122.02745	0.7
123.04366	1.0
125.05917	0.7
127.03892	22.9
127.11165	2.3
129.05415	0.7
129.10191	0.8
131.04910	3.8
132.05711	0.8
133.02818	3.5
133.06451	2.3
133.10069	1.4
135.04314	1.0
136.06122	1.8
136.07535	1.4
137.06006	3.4
139.03877	15.5
139.04898	1.3
140.04602	2.0
143.04898	5.5
145.02991	1.0
145.04927	20.4
145.07553	0.8
145.12189	0.7
147.04382	14.1
147.08047	1.2
147.09131	13.1
147.11623	0.7
149.02434	0.7
149.05986	0.9
150.03101	1.4
150.05470	0.7
151.07481	1.1
153.05429	5.3
154.04938	0.7
159.04367	2.1
159.09109	0.7
160.05161	2.4
161.05928	5.7
162.03116	1.6
163.03838	1.8
163.05986	4.5
163.07445	1.3
163.13231	0.9
164.04657	1.1
165.05412	2.7
167.03387	7.2
169.04932	4.0
171.04373	10.8
175.03848	2.7
175.07529	4.9
176.04643	1.0
177.05435	30.5
178.05962	1.0
179.03352	1.7
179.06989	3.2
187.06064	3.2
188.04642	2.2
189.05449	5.5
191.06674	1.2
191.08253	13.0
192.04106	1.1
193.04924	1.0
195.99348	0.7
196.44064	0.7
199.03893	8.1
203.06984	23.2
204.07339	1.1
205.04991	7.4
205.06932	1.5
207.06497	13.7
216.04048	0.8
216.08800	0.8
217.04927	7.1
217.15971	0.8
221.08028	1.9
227.07106	0.7
231.06468	34.0
232.06908	1.9
237.18463	2.5
249.07538	100.0
250.07864	4.9
255.19431	0.8
263.13678	0.9
267.08606	15.3
280.08258	1.3
281.14902	7.4
291.08618	2.3
307.12790	1.2
309.09601	2.0
325.13898	18.2
326.14105	0.8
375.10623	0.9
376.51517	0.7
393.12091	1.3
394.12317	4.2
395.12585	0.9
411.12674	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	410.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78533	0.4
52.11694	0.4
53.69796	0.5
55.05500	0.6
56.05014	1.2
71.51850	0.5
82.06568	0.8
84.08129	53.0
85.08474	0.9
91.61514	0.5
122.63173	0.5
130.08615	15.2
130.71460	0.5
131.09001	0.4
145.02815	0.8
146.03116	0.8
146.08070	1.9
152.06798	100.0
153.07182	1.3
156.05003	1.7
160.08257	0.7
170.06604	10.9
177.05452	1.4
178.05772	1.2
186.06035	1.2
186.52283	0.5
188.07651	2.3
200.03970	1.0
206.08710	1.2
217.11827	1.1
233.02652	1.3
234.03065	0.9
235.12871	17.9
236.12946	1.2
237.14381	1.6
245.11305	8.8
251.12575	0.8
253.14006	1.5
261.10898	0.7
263.12360	24.4
264.12576	1.6
271.14890	1.7
279.11935	1.3
281.13391	30.6
282.13678	2.1
297.12891	1.7
299.14459	71.9
300.14670	5.3
304.14920	1.1
317.15518	61.5
318.15723	3.8
322.16055	4.1
410.07324	1.5
410.11533	3.6
410.21292	35.4
410.98672	0.8
411.10275	2.0
411.21408	3.3
430.00964	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.9
56.05026	1.8
59.66952	0.2
67.05459	0.2
68.84207	0.2
69.64551	1.3
69.64932	0.4
82.06571	0.2
82.97337	0.2
84.08129	62.4
85.08451	0.7
86.09686	0.2
91.23497	0.2
98.21461	0.3
112.07552	1.1
130.08618	14.6
131.08990	0.3
134.04594	0.6
138.04005	0.3
140.05542	0.2
142.07079	0.4
148.79219	0.2
152.05576	1.2
152.06813	3.7
154.07094	0.2
156.05020	1.7
158.06635	0.3
160.08189	0.6
168.05084	0.5
170.06599	14.6
171.06731	0.5
172.08182	0.3
174.06181	1.1
176.07736	0.6
186.06128	1.5
188.07669	2.3
193.08257	0.2
198.06107	0.4
202.05615	0.4
204.07211	0.3
205.11786	0.2
206.08716	0.4
207.13400	0.4
217.11780	2.4
219.13432	0.2
223.12993	0.3
225.14455	0.6
233.11261	0.2
235.12877	24.3
236.13075	1.6
237.14441	1.7
245.11322	11.6
246.11548	0.8
251.12292	1.0
253.13934	1.7
254.14230	0.2
258.14520	0.4
261.10886	1.3
263.12363	36.0
264.12543	1.9
269.13559	0.8
271.15012	2.6
279.11819	1.1
281.13406	38.0
282.13620	2.3
286.14001	0.2
297.12958	2.8
299.14459	100.0
300.14676	6.2
301.15103	0.2
304.14975	0.6
315.13931	0.2
317.15518	73.7
318.15714	5.0
319.15860	0.4
322.16064	3.3
323.16418	0.3
410.21295	39.9
411.21533	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	410.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.9
55.01846	2.0
55.05498	2.5
56.05002	2.0
56.96518	0.9
57.03411	3.2
59.04965	1.0
60.16315	0.7
61.02898	2.2
61.62016	0.8
64.53188	0.8
67.05503	4.5
69.03423	7.5
69.07046	3.9
70.06583	8.3
70.98877	1.2
70.99191	0.7
71.04982	11.0
72.08140	5.3
73.02882	1.8
74.06048	1.2
75.99848	0.7
79.05459	3.3
79.52230	0.7
81.03388	3.7
81.07054	3.7
82.06547	1.9
83.04935	1.7
83.08590	1.1
84.04488	1.6
84.07781	0.6
84.08135	7.3
85.02889	25.6
85.06496	1.7
86.05959	0.7
86.09695	12.1
87.00823	1.1
87.04433	1.4
87.10024	1.0
88.02190	1.3
88.03963	1.3
91.05441	5.9
93.07028	3.0
94.06548	1.5
95.04928	3.5
95.08567	2.8
97.02872	5.2
97.06504	1.6
98.97557	1.1
99.04424	1.5
99.08100	0.7
100.07590	0.9
103.05417	1.0
105.03348	0.9
105.06995	4.1
107.04939	1.1
107.08566	2.1
109.02837	3.4
109.06476	1.1
109.10106	2.8
110.06057	1.2
110.07125	2.6
111.04410	1.5
115.05434	1.3
116.06985	1.1
117.06969	1.8
119.04943	1.6
119.08545	2.7
120.08087	8.6
121.06474	1.7
121.10091	2.5
122.02719	1.2
122.05998	1.5
124.07562	3.0
125.05996	1.1
125.09632	3.7
126.09119	0.9
126.09971	1.6
127.03890	6.4
127.11169	5.8
128.06203	1.1
128.07050	9.7
129.05455	1.5
129.07007	3.8
129.10196	2.1
130.06494	1.7
130.08597	1.0
131.04886	0.9
131.07262	2.2
131.08490	3.4
132.08138	1.7
133.10083	2.0
135.08047	1.5
135.11655	1.8
136.07516	3.0
137.05931	4.0
137.09602	1.1
140.07062	1.9
142.07658	1.2
142.08650	5.9
143.08513	1.3
144.08081	1.2
144.10204	1.8
145.04941	2.2
145.08850	1.6
145.09998	1.1
145.12233	1.7
146.05963	2.8
146.09593	3.6
147.04405	1.0
147.06868	1.2
147.08018	1.8
148.07520	1.8
149.05991	1.3
149.09529	1.0
154.04964	1.2
154.08598	1.0
156.07970	1.7
157.10097	3.5
158.06010	1.4
158.09637	1.5
159.06784	1.1
159.08014	1.7
159.10448	1.2
159.11601	4.2
160.07533	2.7
160.11220	0.9
161.09558	0.9
162.05409	1.2
163.03845	4.1
164.07066	1.0
167.08389	0.8
172.07515	2.6
172.60423	0.8
173.08350	5.2
174.09103	15.1
174.12695	4.2
176.10660	10.9
177.00645	0.9
177.05368	1.2
184.07559	0.9
184.11118	1.2
185.09528	2.3
186.08989	1.2
187.09846	2.0
187.11258	1.4
188.09129	15.3
188.10677	3.1
191.11786	1.1
193.12082	1.0
194.07985	0.9
195.13789	1.3
195.79295	0.7
200.06941	2.7
200.10678	0.9
201.07811	6.5
202.08595	43.6
202.12209	20.6
212.10535	1.3
212.17120	1.3
213.14775	1.5
230.11717	100.0
231.12010	2.1
231.15956	1.2
243.14395	1.0
248.12782	82.0
249.13359	1.7
256.16159	0.9
287.05466	6.1
317.05838	1.2
326.06458	1.5
334.89569	0.9
342.36154	0.8
343.01248	1.7
361.02264	9.8
362.02487	1.4
379.03278	3.7
390.08975	1.7
393.10938	2.8
410.17224	2.3
410.21436	5.2
410.33862	0.9
411.19791	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	410.1377
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54736	1.0
53.03931	1.4
55.01868	2.2
55.05497	3.3
56.05019	4.2
57.03400	1.2
58.08226	1.0
58.99580	2.4
59.91179	0.9
60.72856	1.0
61.01140	4.8
61.02911	2.1
61.73531	1.1
67.05478	4.1
69.03418	6.6
69.07053	2.7
70.06580	18.2
71.01352	1.1
71.04982	2.8
71.08614	1.2
72.08143	5.6
73.02925	1.0
79.05465	3.0
79.29497	0.9
81.03408	3.3
81.07050	5.6
82.06565	1.4
83.04980	1.2
83.08582	1.7
84.04487	1.9
84.08137	6.0
85.02891	2.5
85.06508	1.3
86.09691	13.7
86.99042	1.1
88.02187	1.4
91.05454	6.4
92.12837	1.0
93.07058	2.6
95.04945	3.4
95.08583	3.6
97.02902	1.4
97.06506	2.1
98.09682	2.1
99.04433	3.0
100.07605	1.3
103.05459	2.5
104.05334	6.5
105.07033	5.5
107.04948	2.9
107.08578	2.6
109.02902	1.6
109.06518	1.4
109.10152	2.5
110.07143	1.4
117.07008	1.6
119.04938	2.1
119.08572	2.2
120.08083	8.9
121.06491	2.1
121.10124	2.2
122.03595	1.4
123.11733	1.1
124.07574	2.3
124.11143	1.1
127.03862	1.9
129.06978	3.5
129.10283	2.3
131.04909	1.7
131.08556	2.5
133.10144	1.8
135.08028	1.9
135.11707	1.0
137.05963	17.2
145.04875	1.1
145.07587	1.5
145.10176	1.6
146.05969	2.4
147.04424	1.6
147.08040	1.2
147.09175	4.5
149.05971	2.3
151.07529	7.9
157.06422	2.7
157.07587	1.8
159.08047	1.2
159.09171	6.1
159.11726	1.5
161.05969	4.0
161.09560	1.4
163.07492	1.7
165.06929	2.2
165.12746	1.2
166.08643	2.6
172.08632	5.1
172.11516	8.2
175.08688	2.8
178.07770	2.5
185.10750	1.9
187.12363	1.7
189.04793	53.9
189.09074	7.7
190.05243	1.7
191.06445	2.0
191.08131	20.5
193.06493	1.8
193.10144	1.6
198.10295	5.4
199.12344	1.0
200.09477	1.0
203.06418	1.1
203.08339	1.3
207.06026	3.8
210.06760	1.4
211.07463	1.4
213.10129	2.3
213.14732	1.4
213.18451	3.2
215.11800	2.1
217.13643	17.9
221.05998	1.7
221.09552	2.2
225.09091	1.4
229.13612	1.2
230.07477	9.4
231.08092	3.4
231.11301	1.4
232.08972	20.3
240.07776	1.1
243.11299	1.9
245.13008	9.2
249.08955	1.0
253.08662	4.9
253.12172	3.4
269.08176	1.4
271.10794	1.7
272.10654	1.8
276.08014	14.1
279.16937	2.4
281.11768	1.7
285.11185	5.2
287.05783	2.3
287.12839	1.4
289.11768	8.9
313.14233	5.9
323.10590	9.4
331.15570	1.2
366.14746	22.1
410.13770	100.0
410.18701	12.8
411.10223	1.6
411.14688	3.3
411.19470	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	409.3824
Annotation	4,4'-Diapophytoene
Peak:m/z	Relative Intensity
53.03921	1.2
55.05504	13.8
57.07072	10.2
66.53032	0.9
67.05496	20.3
69.07059	42.2
71.08602	3.0
71.13652	2.3
74.94919	0.8
79.05486	10.9
81.07047	67.2
83.08614	19.0
84.24580	0.9
85.10149	1.2
89.06004	2.3
91.05473	7.8
93.07037	22.3
95.04970	1.3
95.08595	65.3
96.08932	1.4
97.10168	7.8
105.07021	18.2
107.08580	31.8
109.10141	48.7
111.11722	5.1
117.07026	2.4
119.08559	22.4
121.10133	32.6
123.11691	28.1
125.13337	2.1
131.08525	8.7
133.10123	18.3
135.11678	22.2
137.13237	16.9
143.08534	2.0
145.10088	14.3
147.11665	16.8
149.13242	19.6
151.07536	1.4
151.14828	4.6
157.10092	2.4
158.10735	1.1
159.11665	15.7
160.12375	1.1
161.13255	15.6
163.14793	11.4
165.16333	1.2
171.11662	3.3
173.13249	12.4
175.14816	13.5
177.16382	9.4
185.13242	2.3
187.14809	9.0
189.16350	10.6
191.17928	7.4
195.12236	1.9
196.12674	1.5
199.14844	2.6
201.16406	8.1
203.17921	9.6
205.19492	2.6
213.16373	2.9
215.17958	5.5
217.19484	7.7
219.21046	1.9
227.17928	3.3
229.19518	7.4
231.21075	7.2
241.19615	2.3
243.21091	3.4
245.22624	3.5
257.22586	7.5
259.24197	6.3
269.22659	1.3
271.24228	6.8
273.25705	1.3
283.24271	1.8
285.25729	4.6
297.25851	1.6
299.27267	3.3
311.27194	1.8
325.28870	5.0
327.30344	6.5
339.30658	2.5
341.94919	1.2
353.32083	4.5
361.04138	1.0
367.33981	1.9
385.65756	1.2
409.38242	100.0
410.38605	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3823
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24954	1.3
53.03929	1.7
55.05502	13.6
55.84300	1.3
57.07064	7.8
61.81844	1.3
67.05495	19.0
68.40570	1.3
69.07057	41.8
69.86165	7.8
71.08627	2.9
79.05473	11.4
81.07044	74.2
83.08604	11.9
89.06006	2.5
91.05472	7.0
93.07025	23.9
95.08591	75.6
97.10129	8.0
105.07003	14.1
107.08573	32.4
109.10143	50.5
111.11703	5.7
117.07024	1.4
119.08559	21.9
121.10121	27.3
121.10931	2.2
123.11677	27.2
125.13251	3.0
131.08557	4.0
133.10114	15.3
134.23239	1.4
135.11681	22.0
137.13242	19.8
145.10091	8.7
147.11661	15.8
149.13225	18.5
151.14812	5.0
157.10126	3.4
159.11685	10.0
161.13234	16.4
163.14804	10.1
171.11690	2.0
173.13258	11.5
175.14795	13.8
177.16354	17.3
187.14787	8.1
189.16316	11.1
191.17964	8.1
193.19540	1.5
195.12349	1.8
199.14938	2.6
201.16379	6.1
203.17953	8.8
205.19505	3.0
215.17940	8.8
217.19440	7.9
219.21036	1.9
229.19455	10.6
231.21036	10.9
241.19516	2.3
243.21115	3.8
245.22621	3.6
257.22678	6.2
259.24185	10.2
271.24158	9.9
283.24051	1.4
285.25760	4.7
299.27356	4.1
325.29102	2.2
327.30371	5.2
330.28018	1.3
339.30136	1.4
353.32025	2.7
367.33444	1.6
367.93887	1.5
409.38245	100.0
410.38626	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	409.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.3
55.05500	16.3
57.07050	5.0
59.04989	2.7
62.36604	1.5
67.05176	2.2
67.05496	26.0
69.07056	24.3
71.04980	12.6
71.08604	2.7
79.05479	19.9
80.01817	1.5
81.07040	100.0
83.08607	10.6
85.06521	5.8
89.06018	4.3
91.05461	20.8
93.07026	86.5
95.04946	6.5
95.08591	88.3
97.06507	1.9
97.10161	11.1
103.33101	1.3
105.06298	2.8
105.07011	58.7
107.08576	61.0
108.07343	1.5
109.06477	8.3
109.10135	53.8
111.08062	13.7
111.11725	2.4
113.09628	7.4
115.05412	1.8
117.07010	6.0
119.08563	86.5
120.08855	2.1
121.10126	61.5
123.08070	2.6
123.11684	29.4
128.06195	1.5
131.08560	16.3
133.10107	36.0
135.11670	37.7
137.09592	6.9
137.13245	8.1
142.07698	2.1
143.08539	4.5
144.09308	1.4
145.10097	30.6
147.11653	28.6
149.09589	2.7
149.13232	77.9
150.13597	2.3
151.11162	4.2
151.14801	3.1
156.09311	1.7
157.10080	14.0
159.11662	33.6
161.13239	37.8
163.14796	27.4
165.12785	2.8
169.10054	2.5
171.11647	9.4
173.13246	22.5
175.14793	25.0
177.12772	3.5
177.16373	6.7
179.14264	2.4
183.11694	3.3
185.13232	7.8
187.14787	14.9
189.16342	24.3
191.17914	10.9
195.12273	4.3
197.13116	1.7
199.14822	7.8
201.16341	13.5
203.17931	17.1
205.15814	2.6
205.19525	2.0
211.14836	3.2
213.16357	8.8
215.17892	13.8
217.19485	31.5
225.16319	3.2
227.17859	9.4
229.19518	11.8
231.21014	12.2
239.17921	2.1
241.19420	5.9
243.21048	6.5
245.18964	2.1
253.19440	2.2
255.21094	7.3
257.22604	12.4
259.24170	18.7
267.21039	3.3
269.22540	4.9
271.20551	2.8
271.23825	1.8
278.63821	1.5
281.22504	2.0
283.24185	3.9
285.22238	2.4
295.24243	3.4
299.23694	2.5
325.29037	3.5
335.27301	1.6
351.30377	16.0
365.31906	2.3
391.33447	25.2
392.34167	3.2
409.34573	84.1
410.34900	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	409.273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.7
55.05497	18.1
57.07060	9.1
59.04990	3.2
63.18327	2.7
65.03925	4.8
65.45539	2.8
67.05499	23.0
69.03423	10.7
69.07058	11.1
69.75557	2.1
69.75887	17.2
71.04994	2.9
71.08614	5.3
79.05480	32.8
81.07043	44.9
83.04978	8.9
83.08617	8.4
85.06545	4.8
87.89385	3.1
89.06008	2.7
91.05463	44.9
93.07029	70.0
93.07614	3.5
93.08257	2.3
94.38470	2.6
95.04958	56.8
95.08591	36.7
96.05334	2.7
97.06519	11.9
103.05453	4.4
105.06304	5.5
105.07010	100.0
106.99643	2.5
107.08567	32.9
109.06484	14.4
109.10140	14.1
111.08085	3.1
115.05460	4.8
117.06985	17.8
119.08557	65.7
119.09346	4.1
120.09342	2.9
121.06473	19.0
121.10112	22.7
123.08038	22.3
123.11709	3.1
128.06187	7.0
129.07021	11.1
130.07756	5.0
131.08513	25.1
132.09355	2.7
133.06508	4.8
133.10114	23.2
135.08035	16.7
135.11693	5.1
137.09666	8.0
141.06987	6.7
142.07744	15.2
143.08514	24.7
144.09303	6.0
145.06477	4.9
145.10101	48.0
145.11177	4.8
147.08018	14.4
147.11667	42.7
149.09601	13.5
151.07526	15.5
155.08542	11.7
156.09373	7.6
157.10101	28.7
157.11084	2.6
158.10910	3.6
159.08014	6.3
159.11632	15.3
161.09641	9.7
161.13177	5.0
163.11215	5.1
165.06958	4.6
165.09084	30.7
167.08556	4.3
168.09267	3.3
169.10075	16.5
170.10912	5.8
171.11700	16.8
173.09668	8.2
173.13263	7.5
175.11166	29.9
176.71399	2.9
177.09082	4.1
179.08527	5.2
181.12296	6.4
183.11664	14.0
185.13261	6.4
187.11232	6.1
187.14859	6.0
189.12709	7.5
191.14348	4.2
193.10115	4.6
195.11795	5.6
197.13315	5.6
199.11264	3.4
199.14868	6.5
201.12759	8.2
201.16441	3.6
203.14275	15.4
207.11781	4.0
207.13722	6.4
209.13272	8.9
209.15356	5.3
211.14859	7.4
214.18895	4.2
219.13678	3.0
221.13284	3.4
221.15315	74.3
222.15800	4.0
223.14873	5.3
229.15874	6.5
229.27229	3.1
231.13783	5.1
233.15456	3.9
234.16121	17.5
241.15923	3.5
253.15874	5.7
287.20236	8.4
300.20789	7.4
329.21231	8.5
341.27640	3.0
352.98422	2.9
391.26221	6.4
393.09897	6.4
394.10754	6.7
395.11490	6.2
407.11343	6.1
408.11929	16.4
409.12958	98.2
409.27213	62.1
409.32422	3.2
410.13525	57.6
410.28012	5.3
412.11713	3.2
426.12964	3.4
427.14066	5.5
428.14676	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	409.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.6
55.01846	1.5
55.05231	1.4
55.05503	28.7
56.86676	1.3
57.03424	1.8
57.06789	1.5
57.07066	22.3
59.04984	4.3
65.03925	2.3
67.05496	30.0
69.03413	5.7
69.07058	28.9
69.28423	8.2
69.28848	4.2
71.04969	2.2
71.08607	12.0
79.05482	18.6
81.03391	1.9
81.07044	51.5
81.07526	2.6
82.04142	1.3
83.04961	4.5
83.08601	20.9
85.06524	4.9
85.10181	7.1
89.06002	1.4
91.05467	30.4
93.07027	45.7
95.04950	38.1
95.08589	48.1
97.06513	12.1
97.10165	11.8
99.18396	1.3
103.05447	1.9
105.07012	67.6
106.32800	1.1
107.08574	28.1
109.06519	11.0
109.10142	18.3
111.08070	6.3
111.11690	3.8
113.09596	1.7
115.05419	2.0
117.07001	11.5
119.08562	47.4
121.06483	15.2
121.10126	23.0
122.82972	1.4
123.08059	14.1
123.11680	5.2
125.09599	3.4
128.06197	4.0
129.06979	8.0
130.07788	1.8
131.08542	20.2
132.09325	1.3
133.06471	3.4
133.08583	2.2
133.10092	15.0
135.08043	10.0
135.11664	11.9
137.05936	1.5
137.09608	6.5
139.11139	3.9
141.06960	3.7
142.07735	10.6
143.08542	16.5
144.09244	3.4
145.06480	1.3
145.10101	29.1
146.10722	1.8
147.08002	12.5
147.11662	23.8
149.09598	7.3
149.13249	4.1
150.10379	1.5
151.07518	16.7
152.29686	1.1
153.06987	1.3
153.09056	2.6
153.12680	1.8
154.07713	2.0
155.08559	6.5
156.09335	4.9
157.10114	17.4
159.08051	6.2
159.11671	12.1
160.08751	1.8
161.09557	6.9
161.13242	4.8
163.11189	3.8
163.14745	3.1
165.09085	16.9
167.08502	1.7
168.09337	4.1
169.10104	10.6
170.10901	2.9
171.11670	10.4
173.09587	3.7
173.13252	5.3
175.11163	18.1
177.09077	2.7
177.16394	2.4
179.08580	2.7
181.10083	3.8
181.12189	2.1
181.15828	1.3
182.10849	2.0
183.11665	10.5
185.09538	1.9
185.13283	6.3
187.11153	3.0
187.14798	2.7
189.12672	6.4
191.14325	2.0
191.17960	1.4
193.10034	1.9
195.11665	2.9
196.12503	2.5
197.13214	4.8
199.11208	2.2
201.12730	6.8
201.16418	2.5
203.14308	8.1
207.11752	2.3
207.13776	7.2
209.13216	3.5
209.15240	2.9
211.14853	7.0
213.12769	2.3
213.16315	2.1
215.14352	1.4
219.13597	1.2
221.13286	2.7
221.15320	55.7
223.14795	2.4
225.16306	1.8
229.15793	5.4
231.13846	1.5
233.13103	1.4
233.15334	1.7
234.16068	9.0
239.14612	1.7
239.17715	1.3
246.14519	1.3
249.09741	1.2
249.16367	1.4
253.15810	2.9
263.18347	1.5
274.40634	1.4
281.18845	2.0
286.19250	2.7
287.20068	7.2
289.19370	1.5
299.20084	2.0
300.20795	4.2
307.30051	1.7
312.20776	1.5
317.21277	1.7
317.28406	3.3
329.20871	2.8
335.29556	5.8
371.31482	7.4
373.25171	2.7
391.26196	6.5
409.27280	56.1
409.33057	100.0
410.27695	3.3
410.33365	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99976	0.5
55.05504	0.6
55.13063	0.5
58.48050	0.5
62.94337	0.5
67.05484	1.5
69.07046	0.9
69.85333	1.0
69.85748	2.3
81.07043	2.0
83.08590	0.6
84.08135	0.9
91.05486	1.5
93.07021	1.4
95.04911	0.6
95.08590	2.0
98.20741	0.6
100.08211	0.6
100.30760	0.5
105.07012	1.3
107.08577	1.4
109.10141	1.2
119.08611	2.7
121.10120	1.6
123.11682	0.6
131.04893	0.6
131.08540	1.4
133.10103	1.4
135.11664	1.1
145.10126	1.8
147.11641	1.1
149.09605	0.6
157.10147	0.6
159.11710	1.1
173.13225	1.1
175.14789	0.5
187.14821	1.7
189.16487	0.5
201.16333	1.8
203.17970	0.8
221.28009	0.6
379.23004	0.6
391.33731	0.6
409.25546	100.0
409.34494	4.0
410.26025	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	1.8
53.03934	5.9
55.01862	4.8
55.05498	30.1
57.03416	2.4
57.07064	23.4
59.04985	6.4
65.03947	3.9
67.05495	34.5
67.63107	1.3
69.03411	10.7
69.07056	28.6
69.88422	2.6
69.88828	5.6
71.04983	4.1
71.08614	13.1
75.52286	1.4
79.05476	32.2
81.03393	4.2
81.07038	61.0
81.07516	3.1
83.04964	7.4
83.08604	20.2
85.02859	1.6
85.06521	4.7
85.10142	6.6
87.04461	1.7
89.06010	11.6
91.05464	40.3
93.07026	68.7
95.04359	3.1
95.04953	50.7
95.05556	2.8
95.08590	58.9
97.06510	19.8
97.10143	11.4
98.20918	3.2
98.21473	1.6
99.08057	1.7
101.09818	1.6
103.05449	4.5
105.07013	95.6
107.08576	41.1
108.05731	1.8
109.06496	15.3
109.10139	22.9
111.08052	4.7
111.11693	3.3
115.05473	2.9
117.06990	13.8
119.04903	1.6
119.08559	66.6
120.09380	1.8
121.06490	22.5
121.10121	28.7
122.10461	1.8
123.08057	21.2
123.11684	6.2
125.09609	2.8
125.84297	1.3
128.06204	6.3
129.06987	10.3
130.07761	5.8
131.08543	23.9
132.09296	1.5
133.06497	4.2
133.08546	3.8
133.10107	23.0
135.08028	14.2
135.11673	13.4
137.05923	2.5
137.09586	7.3
137.13203	3.3
139.11147	4.6
141.06932	4.1
142.07767	14.7
143.08540	23.0
144.09315	3.2
145.06438	3.0
145.10092	48.4
146.10681	2.9
147.08052	16.3
147.11655	36.8
149.09579	10.7
149.13248	4.8
150.10385	1.4
151.07509	24.7
153.06955	3.3
153.09064	3.5
153.12704	2.7
154.07715	2.3
155.08527	11.1
155.10597	2.4
156.09267	6.7
157.10097	24.2
158.10881	2.1
159.08051	6.1
159.11676	15.3
160.08771	2.7
161.09631	9.4
161.13255	5.5
163.11211	6.7
163.14804	2.8
165.06960	3.3
165.09093	30.3
167.08562	3.9
168.09296	4.6
169.10115	16.3
170.10857	2.6
171.11641	13.8
172.12422	2.1
173.09631	7.1
173.13269	9.8
174.10262	2.2
175.11143	24.9
175.12537	2.1
175.14767	1.9
177.09009	2.9
179.08466	2.8
180.09219	1.5
181.10144	7.1
181.12077	3.8
182.10889	3.3
183.11635	15.7
185.09782	2.7
185.13206	5.2
187.11157	5.2
187.14751	4.0
189.12711	7.6
191.10603	1.4
191.14171	3.5
192.14282	1.5
193.10117	3.9
194.10904	1.7
195.11670	7.4
196.12413	2.1
197.13176	4.2
199.11150	4.8
199.14850	2.5
200.12032	1.8
201.12721	10.4
201.16295	3.3
203.14259	14.8
206.10954	1.9
207.11838	2.9
207.13771	10.5
209.13203	5.2
209.15312	4.3
211.11186	2.0
211.14806	8.5
213.12767	2.1
213.16328	3.1
215.14195	3.2
216.15096	2.3
219.13718	4.4
221.13458	3.0
221.15323	77.1
222.15692	3.8
223.14693	2.8
225.16347	2.5
227.17781	1.7
229.15869	6.0
231.13792	2.8
233.15331	5.4
234.16089	12.9
235.14665	1.9
239.14659	5.1
241.15831	1.9
243.67705	1.6
247.17024	1.8
253.15848	3.1
271.16916	2.2
286.19193	3.5
287.20004	11.1
299.20105	1.9
300.20779	3.4
307.29950	2.4
317.21005	2.4
317.28336	2.4
329.20911	7.6
335.20099	1.7
335.29468	3.6
353.21078	2.8
371.31537	6.8
373.25247	1.8
391.26154	10.4
393.32111	4.1
409.27246	81.9
409.33063	100.0
410.27594	6.4
410.33218	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	409.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.9
55.01857	1.5
55.05500	7.8
57.03427	2.7
59.04994	1.3
67.05492	12.6
69.03426	6.2
69.07050	7.7
69.60551	4.7
69.60981	5.0
70.06575	10.2
71.04974	3.1
72.08144	3.7
79.05486	5.7
81.03392	4.4
81.07032	7.2
82.06576	1.4
83.04973	6.7
83.08605	5.7
84.04497	3.8
84.08118	3.9
85.02888	15.2
85.06534	7.9
86.06071	1.7
86.09697	7.6
88.02200	1.8
88.04005	1.9
91.05480	4.2
93.07026	7.2
95.04942	44.3
95.08578	15.0
97.02886	6.4
97.06502	2.9
97.47278	1.5
99.04446	5.9
99.08074	39.5
101.05972	2.0
103.03934	4.7
103.07571	1.6
105.07021	3.8
107.08569	8.6
109.02839	5.8
109.06493	4.1
109.10135	23.1
111.08069	3.2
113.05906	1.9
113.09628	2.2
116.06298	1.2
116.07069	5.1
119.04890	2.8
119.08559	10.6
120.08098	7.1
121.06457	2.6
121.10111	5.1
123.08061	2.7
127.03902	11.7
127.07595	1.4
127.39429	1.4
128.24181	1.3
129.10216	2.1
130.04993	2.2
131.07034	2.1
131.08546	2.1
133.10104	11.8
135.11658	14.5
136.07582	2.9
137.09578	22.4
140.07037	2.9
142.07777	1.5
144.08060	1.5
145.02817	4.1
145.04987	3.4
145.08675	1.2
145.10149	2.4
147.04384	3.2
149.05849	1.7
149.13246	2.0
151.07635	1.9
151.11195	1.7
151.14830	1.6
153.12714	5.3
155.10629	17.7
157.10178	2.0
161.09563	2.9
163.05928	1.9
167.07004	12.5
168.07486	10.0
171.13765	1.6
175.11179	1.8
175.14784	12.7
177.05446	5.8
182.30644	1.3
182.32245	1.2
189.09009	2.0
193.15839	23.2
199.03656	5.5
203.10672	1.8
208.09622	2.5
211.16884	100.0
212.09950	2.3
212.17285	3.2
217.12184	1.5
229.17947	20.0
230.11040	2.2
233.02556	6.2
246.69154	1.3
247.10869	2.3
247.13132	7.6
260.69226	1.3
268.06018	1.8
289.12680	1.5
306.85120	1.2
325.09174	2.1
356.09857	1.9
391.11179	1.8
409.06992	3.2
409.18646	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26032	1.1
53.03930	2.0
55.01860	1.9
55.05493	2.6
58.92802	1.2
65.03894	1.8
67.05490	6.3
68.05001	1.9
69.03401	5.0
69.07053	8.0
70.06578	8.3
71.52339	1.3
71.52744	2.3
72.08140	10.9
79.05466	1.8
80.04976	1.8
81.03402	2.5
81.07019	3.9
83.08631	1.2
84.04480	2.6
84.08127	7.7
85.02880	4.3
85.06526	1.7
86.09710	7.9
88.02316	1.2
91.05465	2.1
93.07002	2.2
94.06548	17.7
95.04976	5.9
95.08588	2.4
96.04466	2.1
97.02884	2.3
97.06478	1.9
100.07593	4.1
105.03381	1.3
105.07011	2.4
108.04439	4.1
109.06457	1.6
109.10102	1.2
110.06020	3.0
110.07150	2.5
112.07563	2.0
112.11181	1.1
116.07069	1.4
119.08582	3.6
120.08106	6.7
120.08821	1.5
121.10065	1.2
122.06010	35.1
123.04397	2.2
123.06808	1.4
123.11640	1.5
124.03898	1.2
124.07555	1.6
125.07046	1.5
126.05511	1.5
127.03910	1.9
129.10155	1.7
133.10133	3.4
134.10400	1.6
136.03918	2.8
136.07536	3.1
137.04971	1.2
137.05983	5.7
138.05505	2.0
140.07047	38.5
142.08604	2.4
145.02786	1.6
145.04912	1.9
147.04390	4.0
149.02443	1.4
149.05989	2.2
153.09106	1.3
154.04967	100.0
154.08560	13.6
159.11324	2.0
165.06943	4.5
167.08562	2.0
168.06538	1.8
173.05908	1.3
176.03404	3.4
176.05865	1.3
177.04134	2.3
177.05492	2.3
177.06830	1.6
178.04958	55.5
179.05388	1.8
179.08488	6.0
181.06448	2.8
181.25504	1.2
185.09171	1.3
187.07477	1.9
193.06441	4.1
195.07997	3.0
205.03571	2.0
205.06442	2.4
206.04449	58.7
207.04849	1.6
207.08026	4.6
210.07556	5.6
211.16785	1.2
212.13518	1.5
219.08012	1.5
221.05927	3.5
222.03958	17.5
222.06310	2.5
223.04579	2.4
223.07460	3.8
223.10771	1.3
224.05482	2.9
224.08136	2.9
225.08897	6.2
227.10576	1.6
232.11726	3.3
234.06651	1.4
235.07487	4.5
236.05466	8.2
236.07729	1.7
237.09050	5.6
238.07057	34.5
239.08217	1.9
239.10588	5.6
243.07605	4.3
243.09879	1.5
244.09599	2.7
247.10916	2.4
251.07024	2.5
253.08446	9.3
255.10226	3.5
257.09186	3.2
257.11710	1.6
261.08810	1.9
265.08652	3.4
267.07635	1.8
267.10123	5.0
271.07016	1.7
271.10690	2.1
272.08997	1.8
275.10010	1.6
277.08582	1.7
281.08060	2.9
283.09558	4.4
285.08572	9.6
285.11288	3.0
289.08142	4.9
293.11194	4.2
295.09613	5.7
297.11301	4.7
298.28412	2.8
299.09613	1.3
300.08521	8.2
303.09641	2.0
311.09045	2.0
313.07758	9.5
313.10858	4.5
315.09595	2.0
317.11084	2.5
318.09799	7.8
327.09482	3.5
327.12683	1.8
331.09021	10.2
332.11166	1.9
333.10733	2.6
341.10330	2.7
343.11871	1.6
345.10730	33.9
345.14682	2.7
349.10187	12.9
355.11496	2.0
359.08450	3.3
363.11728	7.9
367.11221	2.5
373.12561	2.4
377.09482	5.3
377.13339	27.3
391.11292	4.8
409.11508	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	408.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	3.5
57.07069	100.0
57.45888	1.1
58.07399	1.5
59.04708	1.7
59.04993	32.5
67.05514	2.0
69.07047	5.2
71.08622	99.5
72.08945	1.8
73.02906	38.6
81.07053	3.0
83.08616	4.3
85.10173	92.0
86.10509	1.7
87.04462	2.8
89.06030	3.9
93.07002	1.8
95.08607	3.4
96.08918	2.1
97.10147	1.8
98.21530	2.6
99.11726	11.8
101.09651	1.5
105.07025	2.0
112.99209	2.1
113.00004	42.4
114.00360	2.0
117.09116	10.0
131.08551	1.7
141.16322	9.3
147.11664	5.6
155.17906	1.5
169.02589	42.9
170.02954	11.8
175.09622	1.7
193.10693	2.9
195.12270	4.2
199.20557	18.5
200.21030	2.7
229.29933	1.7
239.37440	1.4
243.23288	1.7
257.24805	13.1
332.83405	1.3
363.30994	3.5
391.30301	1.9
408.26971	1.4
408.33072	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	409.0523
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12257	2.5
59.60202	2.3
71.53198	4.2
79.57020	2.1
81.69718	2.2
82.06544	4.9
84.08124	9.4
89.03880	7.8
95.24168	2.5
95.67010	3.0
100.07561	3.5
117.03345	24.8
119.01920	3.0
130.08606	11.7
130.79716	2.4
135.04393	2.7
145.02812	67.2
146.08101	16.8
149.05969	8.4
177.05426	90.3
199.03632	73.0
215.01526	5.5
233.02637	100.0
296.22601	2.9
409.07010	61.1
409.11072	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	409.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
70.11770	1.6
70.12154	1.2
77.26118	0.6
84.08125	1.0
93.61213	0.6
104.10633	0.5
121.81136	0.6
122.24334	0.5
299.14471	0.9
392.97092	0.7
408.99661	2.0
409.11011	100.0
410.11447	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	409.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.1
54.40287	1.0
55.01869	3.8
55.05497	2.4
61.02911	1.3
61.04127	1.0
65.03940	1.8
67.05502	4.9
69.03412	4.0
69.07056	7.7
69.97157	6.2
70.06573	10.5
71.04967	2.2
72.08129	6.7
79.05485	2.4
80.04996	2.8
81.03394	1.8
81.07035	4.5
82.06567	3.6
83.08607	2.3
84.04470	2.1
84.08129	7.4
85.02883	4.5
85.06522	2.2
86.09692	6.4
87.04488	1.4
87.05533	1.3
88.02193	1.9
91.05470	4.0
93.07031	4.4
94.06545	7.2
95.04958	5.0
95.08609	3.1
97.02901	1.9
97.06490	1.9
99.04466	1.1
99.08071	1.6
100.07578	1.9
105.03365	1.9
105.07018	2.6
107.04920	2.8
107.08578	4.0
108.04443	4.8
109.02873	1.4
109.06537	2.5
109.10171	2.7
110.06007	2.8
111.04413	1.7
111.08060	1.6
116.01627	1.5
117.07000	1.8
119.04919	1.9
119.08621	2.1
120.02216	1.1
120.08086	4.2
121.02840	1.5
121.06516	1.0
121.10117	2.7
122.05997	12.7
123.04386	1.3
123.06801	2.9
123.08034	1.4
123.11693	4.2
124.07560	3.8
124.12028	1.2
125.07074	13.9
125.13255	5.4
126.05498	4.8
127.03904	3.5
127.04983	1.5
127.07578	1.3
129.10228	2.4
130.06500	1.1
131.04956	1.2
133.10110	5.2
133.53352	1.4
134.10457	2.4
135.11678	1.8
136.07578	5.9
137.05962	5.0
140.07047	12.1
142.08595	1.9
145.02785	1.5
145.04871	1.4
147.04369	1.9
147.11638	1.3
148.02107	1.4
150.05434	2.0
151.11183	1.6
152.11430	1.2
154.04962	32.0
154.08533	3.1
159.08089	1.2
159.11441	2.1
159.44904	1.1
161.05928	1.7
161.07109	1.3
163.07381	1.2
165.07004	3.1
167.08434	1.8
168.06587	2.5
172.07568	1.2
175.07468	1.8
176.03374	1.6
177.04117	2.0
177.05504	2.8
178.04958	13.9
179.07054	1.7
179.08514	4.6
181.06349	1.2
185.07274	1.3
185.09184	5.6
186.09053	1.5
187.04979	15.7
187.07384	2.1
187.08783	1.6
189.06766	1.9
191.08374	1.4
193.06371	2.0
193.09682	1.4
193.15878	2.9
194.07307	1.6
194.12674	1.8
195.08026	3.4
196.07637	1.8
200.07103	2.2
201.06604	5.1
204.02878	1.5
205.03706	1.2
205.06595	1.8
206.04440	16.4
207.06387	1.4
207.08073	4.8
211.04999	3.6
211.08665	4.4
211.13293	4.8
211.16951	1.6
212.13562	6.1
213.10359	1.9
214.08643	1.9
215.08148	14.3
215.12660	1.4
216.31497	1.2
217.06180	2.3
217.09735	2.3
221.05807	1.3
222.03961	12.0
222.06259	1.8
223.04707	2.8
223.07416	2.2
224.08405	2.6
225.06535	4.9
225.09027	6.0
226.07289	2.6
227.08200	1.9
229.06032	9.1
229.09735	2.1
229.14369	1.7
229.17789	1.3
230.06728	3.3
230.14772	2.1
233.05928	2.1
233.09143	6.2
235.07460	2.4
236.05528	5.9
237.09155	3.7
238.07094	7.5
239.08121	13.7
239.10619	4.9
241.06178	2.7
241.09830	5.6
243.07607	28.5
244.09662	3.9
245.05586	1.7
253.06000	7.6
253.08609	7.8
254.06923	4.6
255.07648	2.0
255.10124	1.9
257.09192	15.4
258.06470	1.5
259.07114	3.6
261.08649	11.9
265.08603	2.2
267.07605	13.3
267.10257	3.6
268.08417	1.7
269.09225	6.9
269.11642	1.6
271.07050	23.6
273.08578	6.0
277.08453	1.8
279.10043	1.4
281.08096	1.6
283.09564	4.0
285.08636	56.7
285.11002	2.7
286.08975	3.2
287.10165	3.8
289.08139	36.0
291.09735	1.7
295.06995	5.0
295.09747	4.4
297.08649	13.4
297.11349	2.8
300.08609	6.5
303.09671	17.7
307.09232	10.7
313.08057	68.7
314.08475	4.7
315.09671	24.0
316.09860	1.4
317.07623	3.7
317.11115	1.5
318.09720	4.1
327.09604	2.9
331.09155	100.0
332.09686	4.6
333.10733	20.3
335.08694	1.7
341.07498	4.6
345.10596	15.2
345.13901	1.2
349.10220	81.3
350.10913	2.6
354.90186	1.3
359.08542	18.3
359.12131	1.6
360.09494	1.2
363.11734	5.9
367.11258	17.0
368.70035	1.2
377.09680	45.2
377.13556	10.1
378.09888	2.8
391.11188	37.3
391.15814	2.7
392.11670	3.6
395.10980	1.7
409.12311	82.0
409.18167	33.2
409.23376	8.9
410.12775	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	408.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11087	1.2
55.05493	3.3
57.03425	1.1
57.07065	100.0
58.07410	2.2
59.04696	2.3
59.04989	32.4
67.05479	1.7
69.07065	2.2
71.08619	84.1
77.36125	1.1
81.07022	3.6
83.08598	3.1
85.10167	70.1
86.10497	1.8
87.04453	7.6
89.06005	5.5
95.08591	1.4
97.10121	1.5
98.20751	3.6
99.08068	1.7
99.11720	9.4
101.09688	1.9
103.03937	12.1
106.21722	1.4
109.10112	1.8
112.99987	14.8
113.13238	2.8
117.05484	2.5
117.09111	10.0
121.04969	1.9
133.08566	3.0
133.10161	1.4
141.16272	3.0
145.08549	1.5
151.97084	1.2
155.17899	8.7
169.02573	18.3
170.02913	4.2
170.69992	1.3
179.09203	2.4
193.10681	1.7
195.12244	5.5
199.20552	5.7
213.22124	11.5
257.24786	5.9
271.26199	5.8
340.50711	1.3
373.29477	5.0
391.30023	2.2
391.34540	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	408.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	4.5
57.03390	1.5
57.07048	1.5
58.76543	1.0
64.06989	1.1
65.03917	1.4
67.05505	8.7
68.50005	1.1
69.03417	2.5
69.07057	4.4
70.06598	6.1
71.04999	2.0
71.26080	1.8
71.26424	1.7
72.08118	2.1
77.37604	1.0
78.22584	0.9
79.05468	4.4
81.07036	5.7
83.04977	2.8
83.08598	2.6
84.04509	1.7
84.08127	5.8
85.02869	2.2
85.06533	8.7
86.03125	1.0
86.09686	4.4
87.04436	1.2
91.05464	4.5
93.07048	9.6
95.04964	3.4
95.08595	7.0
96.05301	1.2
97.06516	1.7
99.08076	79.4
105.07009	4.1
107.08579	5.7
109.06477	1.6
109.10136	12.7
110.06018	1.6
111.04420	2.2
111.08070	2.0
116.01655	1.5
119.04946	3.0
119.08556	5.4
120.05249	2.6
120.08067	1.8
121.10131	4.6
122.05984	1.3
123.08065	1.4
123.11678	2.9
123.92983	1.2
124.07568	1.5
125.09594	1.4
127.03900	1.2
130.06551	1.0
130.08611	1.3
131.08488	1.2
133.09100	2.2
133.10106	37.6
135.11670	9.1
137.05984	1.3
137.09592	5.6
138.09094	1.5
140.07080	2.6
147.04379	10.3
147.11691	1.3
148.04683	8.4
149.09587	1.7
151.11133	2.4
154.04956	2.1
156.07669	1.3
159.08376	1.3
161.05937	2.6
162.02182	1.5
166.76778	1.0
167.06982	1.8
175.14771	9.7
178.05022	1.8
189.89255	1.1
191.18320	1.2
193.15846	100.0
194.16205	2.3
206.04350	1.9
207.10069	2.4
211.13263	3.1
211.16928	1.3
229.18002	1.5
262.11038	1.3
313.07956	1.5
358.11295	1.1
408.09888	2.6
408.22711	4.8
409.12503	2.3
409.18167	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	408.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.1
55.05500	34.8
56.05031	1.3
57.98772	0.9
58.99286	0.8
58.99572	16.7
61.01135	1.0
70.82738	0.8
70.83060	1.3
73.01109	1.9
76.02215	6.9
76.03995	4.2
79.05502	0.8
81.07014	1.4
83.06067	2.1
83.08601	47.8
84.04490	25.8
85.01093	1.2
86.99036	13.9
88.02209	3.9
99.05555	2.1
101.04185	0.8
101.09630	2.3
103.02150	1.3
105.21588	0.7
107.08578	2.1
114.03737	0.9
115.05735	1.4
116.01648	64.8
129.06558	2.7
129.07388	1.1
130.04970	4.5
141.07257	1.2
142.03160	5.2
144.01112	28.1
145.06070	1.4
159.08359	42.2
160.08765	1.0
162.02165	100.0
166.40588	0.9
170.02612	1.3
176.11008	6.4
179.04817	1.3
187.07758	1.1
244.09958	2.1
245.05811	1.3
255.04247	0.7
261.10681	1.6
262.11014	54.2
263.11356	1.3
279.13675	33.0
280.13956	1.0
333.14700	12.0
345.14874	1.4
390.16568	1.1
391.15283	0.8
408.17917	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	408.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	0.8
55.01858	2.3
55.05502	3.6
57.03415	2.4
57.07034	0.8
57.45070	0.6
58.40488	0.7
59.04977	0.9
61.02899	1.5
67.05495	8.1
69.03421	4.8
69.07058	6.9
70.06568	2.8
71.04979	2.3
71.52180	1.2
72.08132	1.0
73.02908	1.3
79.05478	4.6
81.03405	3.2
81.07043	30.1
82.07359	0.7
83.04949	3.2
83.08612	3.6
84.08128	5.2
85.02890	12.3
85.06525	2.5
86.09692	5.4
87.04440	0.9
88.93300	0.8
91.05460	9.0
93.07024	6.1
95.04940	1.4
95.08602	8.3
97.02872	5.0
97.06504	4.4
99.04430	1.8
99.08051	2.1
100.07632	0.9
101.06013	0.8
105.07018	15.7
105.97620	0.8
107.08581	6.7
109.02848	1.8
109.06505	3.2
109.10160	1.9
118.96708	0.7
119.08563	13.4
120.08024	0.9
120.08885	0.8
121.10120	12.2
123.08048	2.5
123.11689	16.1
124.07572	0.8
127.03882	3.0
127.07517	2.2
130.06482	5.1
130.08633	0.9
131.08476	1.0
132.08057	1.8
133.10101	2.9
135.07986	0.7
136.07458	0.7
137.13202	2.2
141.09021	1.0
145.04941	2.8
145.06195	0.8
145.10088	1.9
147.08028	0.9
147.11662	44.7
148.11977	1.9
149.13283	0.8
157.07579	5.5
157.10080	2.1
159.09189	2.9
159.11662	1.0
162.02110	0.8
165.12730	32.5
166.13150	0.8
167.06984	0.8
170.06018	3.2
173.13205	0.9
180.08693	3.6
183.13762	10.8
193.12167	4.4
197.13029	0.7
203.08116	1.9
211.13222	7.6
229.14305	100.0
230.14661	3.9
241.10539	0.7
246.16750	1.0
262.10974	1.0
272.19830	0.8
307.39868	0.7
313.16583	1.0
331.17514	4.7
332.17932	0.7
350.18338	0.9
355.17419	1.1
408.27264	4.0
408.32751	1.5
425.35358	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78061	0.7
55.05502	32.1
56.05015	0.9
56.05843	0.7
58.99574	14.9
69.51611	5.1
69.52011	1.4
69.76814	0.8
73.01127	1.9
76.02201	7.5
76.03986	2.9
81.07039	2.0
83.06073	2.3
83.08604	42.1
84.04492	25.4
86.99042	13.3
88.02183	3.6
98.20746	1.5
99.05579	1.9
99.08108	0.7
101.09609	2.4
103.02198	0.9
107.08549	1.6
115.05745	1.1
116.01655	61.1
129.06560	5.4
129.07359	2.1
130.04999	5.1
134.48431	0.8
142.03221	3.9
144.01118	29.4
145.06059	1.9
159.08363	33.8
162.02173	100.0
163.02599	1.1
164.01712	0.8
170.02663	1.5
176.10976	4.7
187.07841	1.0
205.08876	1.3
225.48376	0.8
244.09953	1.6
245.05858	1.1
261.10669	1.9
262.11035	66.4
263.11328	2.3
279.13684	29.3
333.14700	15.8
334.15079	0.7
345.14886	1.2
381.75226	0.8
390.16815	1.4
399.99332	0.7
408.17911	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	407.3665
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
55.05504	9.6
55.65834	1.4
57.07069	8.1
64.28799	1.7
67.05497	17.2
69.07061	33.8
71.08617	3.6
71.26081	3.7
78.26859	1.4
79.05473	8.3
81.07047	54.2
83.08607	11.2
89.06024	7.6
91.05447	9.5
91.87336	1.5
93.07028	20.0
95.08593	48.6
96.08894	2.1
97.10153	4.7
105.07018	21.3
107.08589	26.8
107.99975	1.6
109.10145	37.6
111.11700	3.1
112.99996	1.8
117.06993	3.7
119.08562	25.0
119.09358	2.0
121.10125	28.0
123.11690	23.6
129.06969	2.2
131.08531	8.2
133.08572	3.9
133.10101	22.8
135.11658	16.4
137.13222	8.6
142.07663	1.8
143.08556	6.2
145.10107	13.4
147.11673	19.5
149.13252	11.3
151.14764	2.4
155.08395	1.9
157.10155	9.2
159.11653	18.1
161.13229	12.7
163.14809	7.5
169.10092	1.7
171.11682	8.9
173.13202	12.3
175.14804	10.0
177.16342	7.4
183.11617	2.3
185.13228	9.4
187.14873	9.9
189.16393	7.0
189.50002	1.7
191.17953	5.5
195.12270	9.6
197.13313	3.0
199.14832	7.8
201.16354	11.0
203.17921	6.5
205.19472	1.9
211.14766	2.5
213.16359	5.4
215.17934	6.6
217.19559	3.9
225.16304	1.7
227.17987	5.4
229.19563	5.1
231.21086	2.0
239.17754	1.7
241.19527	4.4
243.21123	4.7
243.67821	1.6
253.19415	2.7
255.20929	4.1
257.22589	5.1
269.22452	4.4
271.24261	2.3
283.24200	7.6
295.24228	2.6
297.25882	2.5
311.27686	1.6
325.28891	3.8
337.29095	3.3
351.30499	4.3
365.31735	1.8
389.34451	2.3
407.36676	100.0
408.36920	7.7
418.30444	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	407.3665
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
53.03938	1.5
55.05499	12.4
57.07063	7.7
67.05494	15.9
69.07059	33.3
71.08609	1.4
71.17628	2.0
79.05059	1.2
79.05482	11.3
81.07043	55.0
83.08610	11.7
85.10144	1.1
87.04427	1.0
89.06005	1.7
91.05444	7.8
93.06482	1.8
93.07030	22.3
95.08591	46.9
97.10158	6.1
105.07018	18.8
107.08572	31.4
107.09294	1.6
109.10139	37.3
111.11691	3.7
117.07018	1.8
119.08567	19.7
121.10126	24.6
123.11691	15.3
125.13233	1.0
129.07027	1.1
131.08562	8.6
133.10110	16.2
135.11673	19.5
137.13243	9.7
143.08548	4.3
144.09271	1.2
145.10098	17.0
147.11668	18.3
148.12132	1.0
149.13245	16.1
151.14789	2.4
155.08540	1.3
156.09335	1.9
157.10101	8.6
159.11673	18.3
161.13239	14.2
162.13663	1.2
163.14816	9.5
169.10100	1.6
171.11644	5.2
173.13220	14.4
175.14804	12.0
177.16364	9.0
183.11697	1.6
183.82732	1.0
185.13260	7.2
187.14792	11.0
189.16385	7.6
191.17967	5.2
195.12228	1.7
197.13300	2.9
199.14725	6.3
201.16309	7.6
203.17952	7.2
205.19556	2.2
211.14780	1.7
213.16327	6.7
215.17978	8.6
215.65553	0.9
217.19461	4.9
225.16422	1.9
227.17822	6.9
228.18561	1.3
229.19484	8.5
231.21066	4.4
241.19528	4.4
243.20984	3.8
245.22440	2.4
253.19711	1.3
255.21054	3.2
257.22601	6.8
259.24249	1.7
267.21030	1.8
269.22598	6.2
271.24182	2.8
281.22562	2.1
283.24197	6.5
285.25708	2.2
295.24216	1.6
297.25748	4.8
299.27310	1.3
309.25641	1.3
311.27155	3.5
322.99426	1.1
323.27234	2.7
325.28879	6.1
337.28864	3.1
351.30142	4.7
367.10349	1.0
407.36661	100.0
408.37000	9.8
423.91537	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.0468
Annotation	Unknow
Peak:m/z	Relative Intensity
59.15207	0.3
69.30893	0.3
71.41260	0.4
101.00850	1.0
119.01910	5.6
129.69022	0.3
134.49992	0.4
134.99826	0.5
137.02896	1.7
142.59044	0.4
157.60768	0.3
157.62267	0.3
158.99835	0.5
177.00928	13.9
178.01060	0.8
180.00964	0.3
181.59142	0.3
182.63470	0.4
188.77243	0.3
201.01003	1.2
217.04045	3.2
219.01974	24.1
220.02042	1.9
225.00755	3.2
234.99942	0.5
242.03606	0.4
243.01930	7.5
243.04230	0.4
244.02217	0.8
258.99826	0.4
259.99860	0.4
261.03021	100.0
262.03186	7.5
263.02939	0.5
277.00980	0.5
278.00888	0.5
279.00848	0.6
282.99933	1.1
284.00125	0.7
284.01727	0.4
284.04535	3.0
284.99731	0.6
285.04855	0.4
301.00946	1.5
302.01129	1.1
303.00760	0.8
320.02316	0.4
335.40359	0.4
361.27789	0.4
367.01770	2.6
379.45297	0.4
385.03091	16.4
386.03140	2.3
403.04202	23.7
404.04340	3.7
408.04926	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3514
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02894	4.2
55.05502	28.1
57.07059	30.4
66.91400	4.2
67.05498	22.2
69.07057	54.4
71.08617	15.3
71.52438	5.3
79.05472	15.7
81.07039	50.4
83.08620	24.6
85.10184	9.7
89.06007	18.7
91.05466	16.9
93.07031	25.9
95.08591	69.0
97.10139	17.1
105.06997	27.3
107.08561	40.5
109.06489	9.9
109.10139	56.5
111.04421	8.1
111.11684	17.1
119.08580	32.7
121.10137	34.3
123.08049	17.2
123.11687	27.2
125.05963	23.0
131.08533	10.5
133.08583	12.0
133.10104	30.2
135.11685	19.3
137.05943	22.3
137.09601	5.3
137.13242	14.0
137.64517	3.9
139.07530	7.8
145.10051	13.8
147.11633	23.0
149.13237	21.2
151.07542	6.0
151.14738	6.9
159.11700	13.8
161.13216	15.4
163.14828	5.8
165.09096	7.5
167.10620	7.8
172.85130	5.0
173.13237	8.0
175.14803	5.1
177.16347	9.6
179.10666	8.2
181.12236	5.3
187.14877	7.0
189.16386	14.1
191.17920	14.0
193.12251	8.4
195.12231	16.4
201.16336	8.1
203.17961	16.9
205.19467	10.2
207.13728	7.2
215.17999	6.7
217.19521	5.9
221.15297	5.9
224.20226	4.4
229.19463	5.7
235.16821	8.0
239.14749	5.2
243.20938	9.4
249.18443	12.4
255.20938	10.2
263.19974	6.7
269.22495	9.4
271.24155	7.1
277.21603	7.6
281.21274	4.1
291.22998	4.3
319.26312	5.6
328.25168	6.1
333.27771	5.8
371.33203	5.5
389.34085	47.4
407.36694	100.0
408.32343	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	407.336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99822	0.5
55.05505	1.8
57.07068	100.0
58.07415	0.6
59.04993	11.6
62.07442	0.5
67.05508	1.0
69.07067	2.6
71.08622	75.9
71.53001	0.9
72.08167	0.8
72.08959	0.7
73.04258	0.6
73.06564	0.6
79.05471	1.0
81.07057	1.7
83.08619	2.7
85.10172	60.4
86.10528	0.9
87.04456	0.6
87.90714	0.5
89.06017	37.1
91.05461	0.9
93.07062	0.9
95.08606	1.7
97.10164	1.7
99.11724	10.5
99.12329	1.0
103.07552	4.0
105.07020	1.2
107.07072	2.9
107.08595	1.0
109.10120	1.4
111.11745	0.7
113.00005	7.7
113.13265	4.2
118.07153	0.5
119.08533	0.7
121.10107	0.7
130.08627	1.8
131.07037	1.0
131.08470	0.5
133.08583	13.1
133.10083	1.2
145.10120	0.9
151.09590	1.7
155.17928	6.1
159.11737	0.6
162.33426	0.6
169.02583	7.5
170.02928	0.7
171.02966	0.6
177.11194	12.5
195.12257	16.4
213.22061	3.7
221.41107	0.6
235.15501	0.6
239.14755	0.9
253.16504	1.2
257.24506	0.9
275.19778	1.1
284.25537	0.5
312.69949	0.5
407.33353	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
55.01863	6.0
55.05504	2.9
57.03431	0.9
57.07067	100.0
59.04991	37.3
63.29883	0.7
66.42402	0.6
67.05491	1.7
67.06457	0.6
69.07062	4.2
69.25385	6.5
69.25797	1.5
71.08620	99.2
78.03458	0.8
79.05483	1.7
81.03398	0.9
81.07047	6.5
82.07378	0.7
83.08595	3.6
85.10170	93.6
86.10513	0.7
87.04434	0.7
89.06013	24.3
91.05450	1.7
93.07042	1.6
94.45658	0.6
95.08611	2.7
97.06516	8.3
97.10158	1.8
98.20700	1.1
98.21391	2.0
99.11711	9.0
101.09632	1.8
103.07555	4.3
105.07011	2.7
107.07056	1.6
107.08573	1.9
109.06480	1.7
109.10142	1.6
109.31723	0.7
113.00018	1.9
117.09111	8.0
119.08550	2.1
121.10098	1.8
123.11674	0.7
130.08591	0.8
131.08511	0.8
133.08582	17.4
133.10094	1.5
135.11621	0.9
141.16354	8.1
147.11610	1.3
151.09628	8.2
157.10001	0.8
159.11732	1.1
163.14725	0.9
169.02611	1.5
170.02931	1.0
187.14995	0.8
191.12767	3.9
195.12146	1.2
199.20566	11.0
203.18118	0.7
209.13795	4.5
239.14716	1.1
240.23193	1.5
257.24680	6.0
275.20004	3.9
314.81897	0.7
407.27036	1.3
407.32663	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	407.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.0
67.05495	0.9
70.06586	0.8
76.39785	0.4
79.05466	1.2
81.07040	1.6
81.81306	0.4
83.04966	4.3
84.08121	1.4
91.05476	1.0
93.07020	1.1
95.04972	0.8
95.08586	1.6
97.06481	0.5
98.81615	0.4
99.78265	0.4
103.05452	5.5
105.07014	1.5
107.08595	1.4
109.10142	0.7
111.04433	2.1
119.08553	1.1
121.10119	1.1
123.11708	0.5
130.08624	1.4
131.04904	15.2
131.08534	0.5
132.05316	0.7
133.10028	0.7
145.10124	0.7
147.11591	0.6
157.10158	0.5
159.11673	0.5
185.13252	0.7
187.14792	0.6
201.16235	0.5
257.26801	0.5
259.09537	0.5
301.29297	0.5
337.15933	0.5
351.19675	0.5
407.23978	100.0
407.35742	2.5
408.24341	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	407.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.3
57.03421	4.1
57.07064	7.2
64.97927	0.3
67.05492	2.6
69.07060	2.3
70.79286	0.7
71.08617	4.7
79.05489	0.5
81.07040	3.7
83.08610	2.4
85.10159	2.6
89.06018	0.4
91.05469	0.3
93.07023	0.8
95.08588	4.9
95.09159	0.4
97.10143	1.0
103.64568	0.2
105.07014	0.7
107.08577	0.9
109.10139	2.8
111.11716	1.2
112.99993	81.9
119.08601	0.6
121.10134	0.7
121.21849	0.2
123.11662	1.2
131.01036	0.8
131.08528	0.2
133.10092	0.5
135.11641	0.4
137.13240	0.8
139.01517	0.6
145.10123	0.6
147.11655	0.5
149.02272	0.2
149.13235	1.0
154.02623	1.0
155.01041	0.2
159.11626	0.5
161.13243	0.5
163.14780	0.5
169.02574	100.0
170.02959	1.3
173.13120	0.5
175.14830	0.6
187.14810	0.3
189.16389	0.5
201.16316	0.3
203.17770	0.3
239.23619	0.9
245.22607	0.6
257.22635	0.3
283.24161	0.5
311.27081	0.3
372.21323	0.3
407.25272	0.6
407.31750	0.2
407.36694	3.2
430.83389	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	3.6
56.03793	1.3
57.03420	7.0
57.07069	100.0
58.07415	1.8
59.04706	2.6
59.04992	41.3
67.05492	3.9
69.07056	7.9
69.37376	1.6
71.08622	95.5
72.08144	2.7
72.08952	2.9
75.04474	3.1
75.35198	1.3
79.05479	2.1
81.07054	10.6
83.08612	5.2
85.10172	95.1
86.10507	1.5
93.07046	3.2
95.08600	12.2
97.06522	6.3
97.10140	4.1
99.11728	11.4
101.09637	2.9
105.07007	3.7
107.08583	4.8
109.10133	6.0
111.11714	2.3
113.00013	5.2
113.13255	1.8
115.07554	36.8
117.09118	17.7
119.08582	2.8
121.10164	3.3
123.11652	3.0
131.08594	1.8
133.08615	2.4
133.10133	3.9
135.11641	2.0
137.13242	4.3
141.16341	10.5
145.10106	2.9
147.11700	2.4
149.13216	2.8
155.67232	1.5
159.11639	2.5
161.13300	3.2
166.27255	1.6
169.02609	10.1
173.11697	2.3
173.13286	2.4
187.14780	4.2
191.12807	5.8
191.18059	1.8
199.20561	21.7
227.17897	3.1
229.30542	1.9
240.23254	2.0
257.24701	28.8
257.83929	1.6
258.24817	1.5
389.32703	2.6
406.20959	2.6
406.35510	4.4
407.36923	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	406.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.2
55.05499	31.2
56.05018	1.9
63.49623	0.4
67.04250	0.6
67.05489	2.6
67.32374	0.3
69.03378	0.5
69.07057	0.9
70.06564	2.4
71.52708	0.7
72.08144	0.8
74.02425	16.2
76.04777	0.4
79.05481	2.1
80.04992	1.6
81.07039	2.3
82.06563	100.0
83.04958	0.8
83.06897	1.2
83.08627	0.4
84.08146	0.6
86.02440	0.5
91.05454	1.6
92.05730	0.4
93.07030	2.1
95.04929	0.6
95.08570	2.1
100.07597	14.4
104.05187	0.4
105.07008	1.1
107.08571	0.7
109.10163	1.0
110.06062	0.6
117.07022	0.6
119.08591	0.7
121.10119	0.6
122.49125	0.4
123.11684	0.5
126.05516	1.7
128.07051	93.2
129.07405	1.5
131.08580	0.8
133.06454	0.7
135.11641	0.5
143.08533	0.6
146.08081	8.0
147.11688	0.6
177.09053	0.8
232.55954	0.4
251.00346	2.0
256.26297	0.9
259.11362	0.4
279.23422	0.4
333.15158	1.2
370.24518	0.4
389.26910	0.5
405.74475	0.4
406.07083	0.5
406.29434	22.6
407.29852	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	406.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
55.01841	0.9
55.05487	2.2
57.03411	2.3
57.07045	1.0
58.99544	1.0
61.02896	2.0
67.05474	3.4
69.03419	6.4
69.07047	6.3
69.65962	7.0
70.06566	3.5
71.04963	2.7
72.08118	1.7
73.02894	0.9
76.02202	2.1
79.05461	2.5
81.03382	3.2
81.07043	6.9
83.04975	4.7
83.08609	2.0
84.04481	3.6
84.08124	2.1
85.02882	15.9
86.09683	9.1
87.04465	1.5
91.05434	4.9
93.07023	12.4
95.04947	2.5
95.08585	17.0
96.08941	1.1
97.02876	5.6
97.06522	6.5
99.04420	1.8
99.08064	3.6
103.05457	1.0
105.07019	9.6
106.02891	2.1
107.08580	12.2
109.02800	1.9
109.06490	3.1
109.10145	6.5
110.07139	2.0
110.22617	1.0
111.08037	2.1
115.07537	2.7
116.01715	1.0
117.06984	1.1
118.06551	1.0
119.08542	3.9
120.08044	2.7
121.06458	3.9
121.10120	16.6
123.08025	3.5
123.11691	2.4
124.03920	3.6
124.07534	1.4
125.05939	1.1
125.09576	1.9
127.03900	3.7
130.08621	3.2
131.08537	7.7
133.10100	100.0
134.10416	3.9
135.07983	3.6
135.11638	4.5
139.11151	3.2
145.04942	6.1
145.10069	5.2
147.04373	1.4
147.11667	6.5
149.09610	3.9
149.13258	5.2
151.11148	20.6
153.09148	2.1
158.10858	3.0
163.05974	1.4
163.14786	6.7
167.07033	3.3
168.07362	1.5
173.13231	39.3
174.13487	1.2
177.05423	1.5
179.04828	1.8
189.12706	1.1
191.14268	63.4
192.14607	1.9
207.33313	1.0
209.15320	29.5
210.15808	1.4
227.16360	2.2
250.06902	1.4
256.09598	1.3
259.11060	3.0
339.09784	1.1
357.10449	1.3
371.20444	2.6
375.11493	1.6
379.47827	0.9
406.15610	3.9
407.15121	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	406.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	2.2
55.05486	2.3
57.03397	2.3
57.07063	2.1
59.04964	2.1
67.05505	2.2
67.06983	1.6
69.03412	3.9
69.07036	4.3
69.57379	5.2
69.57799	6.4
70.06563	5.9
71.04971	5.1
72.08131	1.4
79.05466	4.7
81.03416	1.8
81.07043	10.0
83.08597	2.8
84.04482	1.9
84.08115	3.3
85.02480	1.5
85.02895	13.9
85.06512	4.6
86.09681	3.9
91.05463	6.0
93.07025	7.7
94.31398	1.4
95.04940	16.0
95.08572	5.5
97.02851	2.4
97.06495	12.7
99.04454	3.4
99.08071	4.0
103.05431	1.5
105.07024	9.7
107.08582	14.3
109.06500	21.3
109.10133	8.0
110.07146	3.6
111.08048	2.7
115.07542	5.0
117.06992	2.0
119.04907	1.6
119.08572	9.7
120.08097	1.6
121.06444	3.1
121.10118	20.8
123.08055	4.0
123.11707	4.9
124.07563	1.5
125.09609	4.0
127.03834	2.6
127.07531	1.5
131.08530	10.4
133.10107	51.4
135.08023	6.6
135.11664	3.2
137.05920	4.4
137.09615	2.2
139.11131	3.9
145.04958	2.4
145.10098	4.5
147.11665	19.8
149.09578	2.7
149.13226	3.8
151.07526	2.6
151.11131	4.2
153.09079	12.6
158.10912	1.9
161.06003	2.1
163.14778	3.2
164.07359	1.9
165.07149	1.5
165.12624	2.6
167.14330	2.4
171.10130	3.9
173.13216	27.8
181.08488	3.1
191.14284	45.7
192.14684	2.2
209.15332	63.4
210.15636	2.1
227.16371	100.0
258.09375	1.4
259.11078	3.1
295.10767	1.8
297.10074	1.5
313.11478	1.7
339.09662	2.6
346.11014	2.6
348.31870	1.7
350.65720	1.7
357.10742	3.7
374.10364	2.6
375.11691	3.6
389.12979	1.6
406.14053	1.9
407.14279	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	405.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.2
57.03431	4.0
57.07065	100.0
58.07402	2.2
58.48254	0.6
59.04992	57.4
59.83699	0.6
61.80740	0.6
64.79919	0.7
69.07061	2.8
71.01299	1.5
71.08617	81.6
72.08970	1.3
81.07035	1.3
83.08620	2.3
85.10167	60.8
86.10493	0.8
91.05490	0.8
93.07014	1.0
95.08591	1.5
97.10166	2.2
99.08070	1.1
99.11710	12.2
100.07603	1.4
101.09644	1.9
106.54111	0.6
107.08605	1.2
113.13253	4.9
117.09112	17.1
117.63674	0.6
128.64766	0.6
135.10118	1.1
140.31081	0.6
154.28278	0.7
155.17940	5.4
158.11726	1.1
175.13228	2.1
193.14294	0.8
213.22066	6.2
271.26236	5.6
292.41660	0.6
325.29626	0.7
405.35461	3.4
406.25027	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.3723
Annotation	5alpha-Cholestan-5alpha,6beta-diol
Peak:m/z	Relative Intensity
55.05516	5.6
57.06815	1.2
57.07071	10.5
58.47591	0.8
67.05495	1.4
69.06783	0.8
69.07069	9.1
71.08621	6.7
71.37681	1.4
73.38234	0.8
74.60135	0.8
79.05475	1.6
81.07034	3.8
83.01321	4.3
83.08604	5.0
84.72679	0.9
85.10149	3.1
91.05452	1.8
91.51427	0.8
93.07021	7.5
95.08601	4.6
97.06483	2.4
97.10147	2.2
107.08591	3.5
109.06505	1.6
109.10130	2.0
111.08076	6.3
119.08519	1.6
121.06487	1.8
121.10146	2.4
123.08058	1.6
125.06027	4.5
125.09616	3.0
127.07538	2.0
133.46179	0.9
135.08063	1.6
135.11633	1.0
137.09619	1.1
139.07515	15.6
139.11116	1.1
151.11174	3.8
153.09119	4.5
153.12660	1.2
159.11731	1.0
167.10692	4.3
177.12697	0.9
181.12219	8.3
195.13734	5.7
209.15385	4.0
223.16910	2.6
237.18512	1.8
251.20113	2.1
265.21631	2.5
279.23242	1.9
293.24579	2.0
335.29315	1.1
369.93912	0.9
387.36121	1.7
405.37234	100.0
406.37674	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	406.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	4.7
55.01849	3.4
55.05490	13.9
56.05018	4.4
57.03417	6.1
57.07055	6.0
58.99575	4.8
61.02908	3.0
65.03917	3.7
67.05494	17.2
68.44426	2.1
69.03416	15.1
69.07061	17.0
70.06575	24.0
71.01347	2.5
71.04955	4.8
71.55244	3.1
72.08121	6.6
73.02880	2.5
74.00645	2.3
74.09690	3.5
76.02207	9.5
79.05476	18.3
81.03403	13.2
81.07042	56.5
82.06581	3.1
83.04965	39.3
83.08600	9.6
84.04481	16.0
84.08132	17.3
85.02890	37.0
85.06522	4.5
86.09684	8.9
86.99019	2.7
87.00791	5.0
87.02658	2.6
87.04456	10.3
88.02195	5.2
88.03944	2.4
88.84825	2.0
89.31931	2.4
91.05452	18.5
93.07018	22.3
95.04968	22.8
95.06068	2.6
95.08027	2.9
95.08593	24.5
95.09177	3.5
97.02860	8.6
97.06501	8.3
97.10136	3.9
98.09687	7.1
99.04415	6.1
99.08070	3.5
100.07593	2.8
102.05499	5.2
105.01828	3.6
105.06999	12.6
107.04922	5.6
107.08563	26.3
108.04460	2.8
109.02863	6.0
109.06496	38.2
109.10123	12.6
110.07164	12.5
111.04426	9.5
111.08075	8.8
112.03933	2.4
113.04211	4.1
116.01675	12.8
119.04913	26.4
119.08546	11.5
120.08088	4.8
120.08850	2.4
121.06461	3.9
121.10123	57.9
121.11004	2.8
122.02674	3.6
122.06007	2.2
122.10454	2.8
123.08022	11.9
123.11678	69.4
125.06039	2.5
125.07093	4.5
125.09574	11.3
127.03915	11.8
129.05525	2.8
129.10219	4.7
130.04996	6.2
131.08514	6.0
133.10103	22.6
135.08022	5.4
135.11650	5.5
136.07541	5.1
137.05930	6.6
137.09555	7.7
137.13170	3.8
139.03860	6.1
139.11172	7.0
142.08626	3.9
143.06993	2.3
144.01071	3.0
145.02834	3.2
145.04932	7.6
145.10098	4.6
147.04379	100.0
147.07954	2.6
147.11671	10.9
147.13774	4.6
148.07523	2.0
149.05948	5.0
149.09602	16.8
149.13232	13.3
151.03842	5.1
151.11137	23.9
153.09081	14.7
156.08383	6.6
156.10165	5.3
158.11734	4.1
161.13243	6.1
162.02196	13.3
162.07610	2.3
163.07494	2.9
163.14731	17.0
165.05484	2.2
165.12775	9.8
167.06987	8.2
167.10654	57.1
167.12050	3.1
167.14299	8.2
171.10216	2.5
173.13229	8.3
174.09467	5.6
177.05441	7.9
179.04790	5.0
179.14284	4.5
181.05009	2.3
181.15852	7.9
186.01883	1.8
191.14288	18.7
193.12172	4.6
203.06854	2.2
204.99254	2.1
207.13753	4.0
208.14377	4.6
209.08142	2.4
209.11842	3.0
209.15340	81.9
210.15746	2.3
226.15469	5.1
227.16377	76.1
231.04970	2.4
239.05457	2.1
243.04950	11.9
244.09689	5.7
259.08521	3.0
259.11075	46.4
267.15875	3.9
272.15723	2.6
285.12421	5.0
303.08582	7.7
329.11267	4.7
370.12152	2.2
371.20667	3.3
388.13489	2.1
388.18710	3.3
388.23221	5.4
389.13208	8.1
394.45374	2.1
406.19989	13.0
407.09616	17.5
407.14423	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	405.2628
Annotation	7alpha,12alpha-Dihydroxy-3-oxochol-4-enoate
Peak:m/z	Relative Intensity
53.03939	5.4
55.01855	10.6
55.05249	3.8
55.05498	29.5
57.03413	4.5
57.07061	8.4
65.03918	6.3
67.05491	59.0
69.03413	25.2
69.07056	27.1
71.04967	5.9
71.08606	6.6
73.02897	4.7
79.05479	54.2
81.03394	25.6
81.07040	67.1
83.04963	12.5
83.08605	13.2
85.02901	9.2
85.06509	3.5
85.10162	3.0
87.04457	5.3
89.06010	12.3
91.05466	53.5
93.07024	63.1
95.04929	15.7
95.08592	45.6
97.02901	14.2
97.06515	4.8
97.10146	7.2
97.51572	2.7
99.04408	6.9
103.03947	3.5
105.06372	5.5
105.07013	64.4
106.07334	3.9
107.04932	9.9
107.08565	38.2
109.02863	7.5
109.06487	8.6
109.10135	24.8
111.04424	12.0
111.08052	3.4
115.03901	4.4
115.05421	3.4
117.07002	35.8
119.00364	2.7
119.08555	42.4
121.06524	11.6
121.10110	28.8
123.00280	2.7
123.04453	3.0
123.08044	7.3
123.11679	8.3
127.03880	6.4
128.06204	6.5
129.05554	3.1
129.06982	20.9
131.08540	42.7
133.06479	8.3
133.08568	7.0
133.10098	37.1
135.07985	14.1
135.11667	16.7
137.05954	4.2
137.09604	4.2
141.06970	7.5
142.07741	4.1
143.08551	19.6
145.06458	7.7
145.10107	32.1
147.08003	5.3
147.11658	23.7
149.06004	5.0
149.09615	8.1
149.13242	12.1
151.07541	4.6
155.08488	10.0
157.06410	3.6
157.10136	15.5
159.08049	7.4
159.11673	31.0
161.09586	10.6
161.13203	15.8
163.11151	6.0
163.14761	4.4
165.09105	6.1
167.08490	3.1
169.10083	14.0
171.08032	6.0
171.11592	14.3
173.13234	17.4
175.11104	6.2
175.14806	8.1
177.09009	4.4
177.12547	3.4
181.10059	5.3
183.11647	8.2
185.09593	5.7
185.13232	12.1
187.11192	6.0
187.14815	11.3
189.12715	6.5
193.10156	4.8
195.11642	4.6
197.13266	6.3
199.11137	6.5
199.14821	10.4
201.12723	4.5
203.10635	3.3
203.14365	3.7
207.11696	3.3
211.14816	5.1
213.12666	5.9
213.16347	4.0
215.14348	4.2
241.19589	3.5
247.88322	3.0
259.20551	5.3
261.21991	4.4
271.20538	5.2
273.18564	3.5
273.22040	10.4
277.21619	4.5
287.23645	3.0
289.21667	4.0
291.23111	3.2
301.21744	16.6
303.23212	10.8
307.27469	2.9
313.21500	6.7
315.23187	14.1
319.22592	11.0
321.46921	3.6
323.23721	5.1
327.23218	7.4
331.22635	6.7
341.24655	18.2
345.24219	12.7
351.23163	13.0
359.25797	6.2
369.24188	62.0
377.26575	3.2
387.25186	74.2
405.26266	100.0
406.26440	3.7
416.63858	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	405.2629
Annotation	7alpha,12alpha-Dihydroxy-3-oxochol-4-enoate
Peak:m/z	Relative Intensity
51.02356	1.7
53.03928	5.5
55.01868	9.6
55.05505	22.0
57.03418	5.6
57.07051	3.2
60.41827	1.1
61.13783	1.3
65.03928	3.1
67.05495	51.2
69.03416	19.1
69.06719	1.9
69.07059	22.0
70.25936	4.0
71.01325	2.4
71.04977	7.8
71.08606	1.6
73.02894	3.3
79.05480	43.5
81.03403	18.6
81.07042	55.2
83.04964	13.4
83.08599	10.8
85.02887	7.4
85.06538	2.6
87.04450	1.7
91.05467	47.4
93.07028	48.8
95.04955	10.3
95.08593	40.4
97.02867	8.0
97.06520	7.4
97.10159	5.7
99.04422	5.1
99.08056	2.2
103.03913	2.2
103.05435	2.7
105.07020	48.7
107.04937	6.4
107.08573	32.8
109.02867	5.0
109.06499	11.1
109.10140	21.5
111.04429	12.2
111.08054	2.5
115.03920	2.5
115.05393	4.4
117.07005	30.2
119.08566	40.7
121.05766	1.3
121.06455	7.1
121.10120	19.8
123.04407	4.2
123.08048	4.1
123.11683	6.5
125.09572	3.6
127.03917	3.2
127.07539	1.4
128.06218	3.4
129.05447	4.6
129.06984	19.2
130.07751	1.6
131.04889	1.7
131.08545	38.7
133.06487	6.0
133.10104	28.9
135.08057	8.5
135.11697	15.6
137.05930	2.7
137.09589	3.9
139.11201	1.8
141.06989	5.1
142.07721	2.3
143.08537	20.3
145.06487	6.9
145.10094	36.4
147.08005	8.3
147.11667	22.9
149.05972	1.5
149.09584	5.1
149.13261	7.5
151.07532	3.9
151.11188	2.1
153.09052	2.3
155.08493	8.8
156.09305	1.6
157.06468	4.2
157.10110	16.2
159.08018	4.9
159.11668	28.8
161.09586	5.7
161.13220	12.3
163.07462	1.4
163.11153	3.9
163.14796	3.5
165.09096	2.2
165.12639	1.5
167.08557	2.0
168.09300	1.8
169.06468	1.7
169.10088	9.9
171.08018	4.3
171.11653	11.8
173.09619	4.9
173.13217	17.8
175.07570	1.6
175.11172	5.2
175.14861	5.9
177.12743	3.2
179.08548	1.6
179.10562	1.8
181.08659	1.5
181.10112	5.1
183.08018	1.9
183.11607	8.0
185.09601	3.3
185.13190	9.4
187.11159	5.8
187.14775	7.3
189.12746	4.9
189.16402	2.5
191.10710	2.1
193.12123	1.4
193.86359	1.3
195.11775	2.3
195.13780	1.9
197.09525	2.5
197.13266	5.3
199.11124	5.6
199.14769	6.7
201.12704	3.7
201.16367	2.4
203.14244	2.5
207.11722	2.0
207.13571	1.4
209.13231	3.8
209.15227	2.2
211.11166	2.1
211.14801	4.7
213.12666	3.8
213.16357	3.6
215.14232	2.5
217.15842	1.5
219.13893	1.5
223.14792	2.3
225.12737	2.7
225.16364	2.6
226.68216	1.4
227.14230	2.0
227.17834	1.6
233.15326	1.7
235.16971	1.7
239.14302	2.2
241.15869	1.9
241.19461	1.6
243.13806	2.1
243.21063	1.7
245.15289	2.0
255.17191	1.4
255.20949	2.0
257.19058	2.0
259.20538	7.1
261.22159	2.2
271.20554	4.9
273.22064	5.3
275.20010	2.1
277.21732	7.1
279.23355	1.7
283.20557	2.8
285.18915	1.5
285.21957	5.9
289.21652	8.2
291.23160	4.7
299.20200	2.6
299.23499	1.6
301.21561	11.5
303.19992	1.3
303.23215	5.5
309.22040	2.1
313.21454	4.3
315.23038	12.3
319.22488	7.6
323.23816	1.9
327.23111	7.8
329.24518	1.6
331.22745	4.1
333.21860	1.9
339.22797	1.4
341.24631	11.0
345.24149	7.4
351.23126	13.9
357.24258	1.8
359.25793	5.2
369.24203	51.1
370.24512	1.7
377.26990	2.3
387.25211	42.4
388.25327	2.0
405.26263	100.0
406.26620	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	405.263
Annotation	7alpha,12alpha-Dihydroxy-3-oxochol-4-enoate
Peak:m/z	Relative Intensity
53.03935	5.7
55.01855	8.6
55.05505	21.8
57.03432	5.1
57.07054	2.6
65.03922	3.1
67.05494	45.6
69.03420	19.2
69.07058	20.2
69.29350	8.9
71.01332	1.8
71.04975	7.6
71.08609	1.2
73.02896	3.8
75.25157	0.9
77.03917	1.3
79.05011	1.1
79.05481	40.3
81.03403	19.4
81.07044	51.2
82.07399	1.0
83.04963	11.4
83.08603	9.2
85.02889	10.0
85.06512	3.2
86.03204	0.7
87.04437	2.4
91.05468	43.8
92.05771	1.1
93.03404	0.8
93.07030	44.9
95.01288	1.3
95.04954	13.1
95.08591	38.4
97.02873	7.8
97.06512	8.0
97.10133	4.9
99.04450	7.4
99.08059	1.2
103.03905	1.0
103.05450	2.4
105.04532	1.0
105.07014	47.5
107.04951	7.0
107.07867	1.7
107.08578	31.3
109.02854	3.5
109.06501	8.2
109.09456	1.4
109.10137	16.0
111.04422	11.4
111.08058	3.1
113.02357	0.7
113.06020	1.6
115.03902	1.1
115.05434	3.5
117.07002	27.0
119.04890	1.9
119.08569	36.7
120.08842	1.1
121.06496	7.5
121.10124	20.6
121.58384	0.9
123.04396	2.9
123.08045	5.0
123.11696	5.6
125.05979	1.6
125.09573	2.5
127.03882	2.8
127.07527	1.1
128.06190	4.5
129.05440	3.2
129.06990	16.8
130.07745	1.6
131.04915	1.8
131.07587	1.8
131.08546	34.2
132.08850	1.3
133.06474	7.7
133.09105	1.4
133.10114	27.7
134.10469	1.4
135.04437	1.1
135.08049	4.5
135.11673	15.2
137.05914	2.3
137.09569	3.2
139.11156	1.1
141.06996	4.6
142.07750	3.1
143.08540	18.1
144.09164	1.0
145.06461	5.6
145.10101	30.1
147.08020	7.9
147.11644	19.6
149.05974	1.1
149.09622	5.0
149.13223	8.9
151.07494	2.8
151.11162	2.1
153.07008	1.0
153.09045	1.5
155.08539	8.4
156.09344	1.7
157.06432	3.2
157.10101	14.4
159.08061	5.6
159.11662	22.5
161.05923	1.1
161.09666	5.9
161.13237	10.0
163.07512	2.2
163.11186	3.4
163.14813	3.7
165.06900	0.9
165.09059	1.7
165.12811	1.0
166.07703	1.4
167.08507	4.1
169.10104	7.9
171.08023	5.2
171.11664	12.0
173.09604	3.8
173.13243	15.7
175.07515	2.3
175.11174	6.1
175.14818	4.6
177.12689	2.0
179.08565	1.3
179.10635	1.0
180.09387	1.1
181.10088	4.3
183.08072	2.6
183.11667	5.9
185.09587	3.7
185.13251	12.3
187.11142	4.2
187.14777	5.1
189.09114	1.6
189.12714	3.6
191.10616	2.0
191.14320	1.6
193.10175	1.2
195.11644	3.3
197.09663	2.1
197.13159	4.6
199.11111	3.9
199.14792	7.8
201.12691	3.8
201.16367	2.1
203.10435	1.6
203.14291	2.0
205.12288	1.7
207.11711	1.6
207.13692	1.0
209.13219	2.4
211.11122	2.1
211.14775	3.0
213.12691	3.6
213.16333	2.8
215.14236	2.7
217.12289	1.1
217.15756	1.4
219.13574	1.0
221.15367	1.3
223.14903	1.4
225.12704	2.2
225.16336	2.1
227.14276	2.6
229.15802	1.5
231.13847	1.0
233.15327	1.5
235.16792	1.2
239.14211	1.6
241.15828	1.1
241.19514	1.9
243.17424	1.3
243.21065	1.6
245.15353	1.2
253.15820	1.3
255.21056	1.5
257.15509	1.1
257.18881	1.1
259.20401	5.0
261.22119	3.2
267.16943	1.2
270.44791	0.9
271.20520	4.6
273.19275	0.8
273.21964	5.3
275.20184	1.7
275.23651	1.1
277.21649	5.5
283.20554	2.3
285.18787	1.0
285.22174	5.0
287.20218	1.3
287.23721	2.0
289.21646	7.7
291.23141	3.6
295.20468	1.1
297.22131	3.1
299.19937	1.5
299.23642	2.0
301.21573	9.4
303.23117	7.5
305.22498	1.2
309.22223	1.9
313.21542	3.7
315.23129	11.9
317.21179	1.2
317.24622	1.7
319.19043	1.1
319.22598	7.3
323.23642	2.4
327.23117	5.7
331.22623	5.5
331.25983	1.2
333.21747	1.6
335.18286	1.1
339.23245	1.7
341.24664	7.7
343.22595	1.5
345.24203	6.0
349.23947	1.1
351.23141	11.1
357.24188	2.1
359.25705	3.8
361.23660	1.5
369.24182	45.6
370.24567	2.0
387.25232	43.7
388.25641	1.7
405.26285	100.0
406.26703	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	405.2628
Annotation	7alpha,12alpha-Dihydroxy-3-oxochol-4-enoate
Peak:m/z	Relative Intensity
53.03936	4.3
55.01846	10.0
55.05499	28.1
57.03413	9.8
57.07054	5.7
59.04987	3.1
65.03914	6.5
67.05492	60.7
69.03422	29.3
69.07059	30.5
71.01308	3.0
71.04961	8.8
71.08620	3.6
71.19930	5.8
79.05470	49.0
81.03416	19.5
81.07040	68.6
83.04954	15.5
83.08588	16.9
85.02905	15.8
85.06519	3.7
87.04420	2.4
90.39214	2.2
91.05461	61.7
93.07027	58.1
95.04958	12.7
95.08046	3.4
95.08598	52.0
97.02872	11.6
97.06496	8.3
97.10122	8.2
99.04424	8.8
103.03899	2.9
103.05499	3.4
105.07011	59.8
107.04916	10.4
107.08575	44.2
109.02861	6.4
109.06502	12.9
109.10130	26.4
111.04408	12.1
111.08039	5.7
113.00002	30.8
115.03889	3.4
115.05426	5.6
117.07008	30.7
119.08551	43.2
121.06467	7.9
121.10130	29.9
123.04396	7.1
123.08044	6.6
123.11675	5.5
127.03866	5.9
128.06157	4.6
129.05469	5.6
129.07007	20.8
131.04816	2.4
131.08545	46.7
133.06419	8.5
133.10106	33.4
135.08018	6.8
135.11673	20.3
137.05968	4.2
137.09564	3.7
141.06935	4.6
142.07698	5.5
143.08534	16.7
144.09291	2.6
145.06441	7.9
145.10094	32.4
147.08011	10.9
147.11653	26.3
149.09575	8.6
149.13235	11.5
151.07487	5.3
154.07686	2.4
155.08548	8.4
157.06496	5.0
157.10063	20.3
159.07991	8.5
159.11652	26.7
161.09587	10.0
161.13225	17.1
163.11133	3.0
169.02586	33.6
169.10066	11.9
171.08035	5.6
171.11642	18.3
173.09695	4.9
173.13188	19.8
175.07458	3.6
175.11166	8.6
175.14772	8.1
177.09047	2.8
177.12656	3.1
181.09975	5.0
183.08041	3.0
183.11633	11.7
184.40540	2.6
185.09645	4.7
185.13194	16.0
187.07527	2.9
187.11044	3.8
187.14835	7.4
187.85086	2.5
189.12700	3.7
191.14340	3.0
193.12154	2.7
195.11656	4.5
197.13150	6.3
199.11169	4.3
199.14799	9.9
201.12766	4.9
201.16339	2.9
209.13106	3.5
211.14807	3.1
213.12744	4.3
213.16359	6.7
215.14412	3.4
217.12189	2.5
223.14778	4.0
227.19855	2.7
229.19490	2.5
231.17325	2.4
233.15259	2.9
239.18141	3.1
241.19461	5.1
243.13931	2.9
253.16229	2.8
255.21005	3.3
259.20511	7.0
260.33081	2.5
261.21896	3.7
271.20551	4.1
273.21991	13.8
277.21588	9.0
285.22202	4.9
289.21518	4.9
291.23068	6.4
297.22064	3.4
299.23599	3.3
301.21552	8.6
303.23099	6.3
313.21472	5.2
315.23041	10.5
317.40683	2.5
319.22467	9.5
323.23639	3.6
327.23163	8.4
331.22488	5.7
335.25784	3.0
341.24658	15.6
345.23941	5.5
351.23126	15.9
359.25769	7.5
369.24225	65.4
369.28696	2.2
370.24451	4.1
381.40527	2.5
387.25220	73.7
388.25641	2.9
405.26251	100.0
405.34808	5.8
406.26553	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	405.2627
Annotation	7alpha,12alpha-Dihydroxy-3-oxochol-4-enoate
Peak:m/z	Relative Intensity
53.03928	1.5
55.01661	0.7
55.01862	7.5
55.05500	15.7
57.03418	7.3
57.07067	5.3
58.32574	0.8
59.04981	1.3
66.91767	1.0
67.05492	17.4
69.03411	8.8
69.07058	15.9
69.83701	4.6
71.04971	1.4
71.08605	2.9
78.44463	1.0
79.05483	16.5
81.03406	6.2
81.07042	20.3
83.04958	3.4
83.08607	9.8
85.02879	3.2
85.06528	1.4
85.10149	1.0
91.05471	17.6
93.07033	16.6
95.04958	4.7
95.08595	18.5
97.02866	2.8
97.06512	2.8
97.10157	5.5
99.04435	1.4
105.07010	15.4
107.04925	2.2
107.08582	12.0
109.02885	1.2
109.06477	2.5
109.10139	8.7
111.04428	3.8
111.08047	1.8
112.99998	89.9
115.05446	1.2
117.07000	10.2
119.08574	12.6
121.06515	2.2
121.10130	10.0
123.04430	1.1
123.08062	1.3
123.11692	3.0
125.05917	1.3
125.09615	1.9
127.03902	1.6
129.05490	1.5
129.06987	5.2
131.00998	0.9
131.08546	10.0
133.06491	2.5
133.10114	10.4
134.57530	1.0
135.08025	2.0
135.11664	6.9
137.05952	1.1
141.06993	1.3
142.07777	1.4
143.08546	5.1
145.10097	10.2
147.08009	2.7
147.11673	7.8
149.13248	3.1
151.07541	1.2
155.08536	2.3
157.06462	1.3
157.10086	6.0
159.08035	1.5
159.11681	8.8
161.09590	1.5
161.13217	4.4
163.11148	1.3
167.08499	1.2
169.02586	100.0
169.10103	3.1
170.02885	1.1
171.08070	0.9
171.11612	5.0
173.09584	1.2
173.11993	1.1
173.13237	5.7
175.11150	2.2
175.14792	1.9
181.10129	1.7
183.11670	2.1
185.09540	1.1
185.13200	4.4
187.11176	1.2
187.14816	2.2
189.12704	1.0
195.11694	1.6
196.48042	0.9
197.13278	2.2
199.11130	1.4
199.14807	2.4
201.12747	1.6
203.10681	1.1
203.14314	0.9
213.12750	1.8
213.18472	1.8
219.20967	1.1
225.16415	1.1
227.20113	4.0
237.22054	7.3
241.19499	1.4
259.20508	2.2
261.22156	1.0
271.20712	1.3
273.22076	2.6
277.21655	2.0
285.22009	2.0
289.21655	1.6
291.23163	1.7
299.23700	1.6
301.21616	2.6
303.23047	1.2
313.21616	1.5
315.23102	2.6
319.22604	2.5
323.23566	1.0
327.23163	2.3
331.22687	1.5
341.24673	3.2
341.93600	0.9
345.24149	3.0
351.23181	4.3
359.25610	1.8
369.24158	16.3
387.25214	16.6
388.25626	1.1
405.26306	32.5
405.37177	1.5
406.25980	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
54.47530	0.3
54.83979	0.4
55.01857	3.2
55.05501	8.5
57.03425	6.0
57.07058	3.7
67.05491	6.1
69.03416	1.6
69.07056	8.9
71.08622	2.7
77.15768	0.4
79.05479	4.3
81.03395	1.0
81.07040	6.5
83.04968	0.7
83.08604	8.0
85.02871	0.8
85.06529	0.6
85.10164	1.1
91.05472	3.2
93.07024	6.0
95.04967	0.6
95.08590	5.4
96.08909	0.4
97.02950	0.5
97.06517	1.8
97.10162	5.9
98.21528	0.7
102.29599	0.3
105.06413	0.4
105.07010	2.7
107.04891	0.4
107.08588	3.9
109.10139	2.3
111.08056	1.2
111.11688	1.3
112.99995	96.4
117.07003	1.5
119.08561	2.9
121.06471	0.5
121.10114	4.9
123.08019	0.5
123.11668	1.1
125.09571	0.4
125.13252	0.4
129.05455	0.5
129.06998	1.0
131.01018	1.1
131.08528	2.2
133.10089	1.6
135.11652	3.1
137.09589	0.4
137.13246	0.9
139.01530	0.8
143.08522	0.9
145.06438	0.4
145.10051	1.3
146.76991	0.3
147.11668	1.1
149.13208	1.4
154.02571	0.9
155.08498	0.4
157.10019	1.1
159.11676	1.3
160.12904	0.3
161.13222	0.5
163.14658	0.6
169.02579	100.0
170.02896	1.0
171.11609	0.6
173.13214	0.9
185.13249	0.7
187.14761	0.6
201.16388	0.4
213.12845	0.4
213.18452	2.7
219.21071	1.5
227.17926	0.5
237.22079	8.0
238.22243	0.4
255.21133	0.6
259.20599	0.5
301.21414	0.5
315.23096	0.6
341.24548	0.6
351.22986	0.8
359.16812	0.4
369.24203	2.3
387.25171	2.4
405.26352	3.8
405.36707	1.0
406.26544	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.3
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76050	2.4
55.01868	16.4
55.05505	24.3
56.35425	2.4
57.03428	7.0
57.07064	5.3
60.14365	2.5
62.48495	2.6
67.05496	28.2
69.07062	16.0
70.06581	27.9
70.15861	11.9
71.04971	3.1
71.08621	15.1
74.92155	2.9
75.25666	2.6
79.05478	15.1
81.03397	3.2
81.07040	28.1
83.04948	6.0
83.08604	16.7
85.10145	7.2
86.09681	7.5
91.05460	22.7
91.32288	2.5
93.07037	27.0
95.04944	5.9
95.08610	20.5
97.06532	6.2
97.10125	3.3
99.08072	7.6
105.07003	12.0
107.04916	4.5
107.08585	17.2
109.10116	12.8
111.08051	19.8
112.87913	2.6
113.09620	6.9
119.08555	14.5
121.10102	10.1
123.08041	4.0
123.11660	5.9
129.07011	2.9
131.08569	2.8
133.10094	12.7
134.06029	3.4
135.11659	5.1
137.13246	3.6
143.05977	2.8
145.02792	4.2
145.10031	4.8
147.11671	14.9
149.09583	6.5
149.13211	6.7
151.11197	7.0
151.20349	2.8
156.04402	3.7
157.09995	3.4
161.13242	7.0
163.11145	4.0
165.12703	16.6
171.35744	3.1
172.03864	4.8
173.11644	3.8
175.11111	4.0
175.14706	3.2
177.05397	11.6
179.14291	6.9
183.05505	3.0
229.14334	5.0
259.20541	5.0
277.21600	49.5
295.22665	15.3
326.38806	2.6
329.07751	13.7
344.10208	9.0
347.18741	9.7
351.25232	60.2
352.25665	5.7
369.26248	100.0
370.26672	7.3
372.09683	42.5
373.09708	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	404.227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.9
55.01857	2.5
57.03416	2.7
61.02895	2.3
61.19164	1.6
65.25536	1.4
67.05489	4.6
69.03423	5.5
69.07059	2.6
69.35266	11.7
70.06567	6.9
71.05007	1.9
72.08147	4.1
73.02892	3.9
79.05474	2.9
81.03432	3.2
81.07032	7.6
83.04986	2.1
84.04484	1.8
84.08135	3.6
85.02892	21.1
86.09691	7.1
87.00811	3.5
87.04465	2.2
89.03922	1.9
91.05460	5.5
93.07027	4.8
95.04932	2.7
95.08554	2.3
97.02886	7.2
97.06481	2.0
99.04462	4.0
105.01886	4.3
105.06995	7.8
107.04932	3.4
107.08575	4.8
109.02875	3.6
109.06512	4.8
109.10149	5.6
119.04876	2.1
119.08560	8.9
121.06486	2.1
121.10115	5.1
123.00776	3.3
123.04481	2.9
123.07994	2.9
123.11701	5.2
127.03914	9.3
131.08571	3.8
133.06462	5.3
133.10155	2.3
135.04358	1.7
135.07909	2.0
137.05934	2.1
137.09570	4.2
138.09100	2.7
139.07428	1.7
139.11261	2.0
143.08566	2.3
145.02846	6.5
145.04936	7.6
145.10097	13.2
147.07983	3.9
147.11650	13.9
149.05896	2.1
149.09596	4.8
151.07516	2.7
156.09290	4.0
161.05968	4.6
161.13235	2.5
163.07384	1.8
163.11157	1.7
165.09186	2.9
167.07005	10.5
171.11696	6.8
174.10435	1.9
177.05405	15.1
179.06923	2.3
189.12709	100.0
190.12979	2.9
193.08551	4.1
201.05354	1.8
204.02899	3.1
204.70036	1.7
207.06432	2.0
207.13747	20.2
221.07979	1.9
222.03964	2.4
225.11223	2.1
225.14772	2.6
231.04933	2.1
240.15900	1.8
275.33594	1.5
281.21228	1.5
386.25586	2.0
405.16919	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	404.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
61.01280	0.4
63.02374	0.7
70.06590	0.7
71.01144	1.0
71.01515	0.5
72.08119	0.4
78.04705	0.4
84.08130	1.4
89.03902	6.0
89.04411	0.5
98.06073	0.8
106.04145	0.5
114.23202	0.4
117.03364	21.3
134.03612	1.2
135.04395	1.6
136.03926	0.8
145.02824	49.2
146.03210	1.1
149.05978	7.3
152.44318	0.4
163.03941	0.7
167.07031	0.7
177.05446	100.0
178.05759	2.7
186.05446	1.0
288.02853	0.4
415.23355	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.2
57.03416	1.3
57.07060	8.8
67.05482	3.1
69.03394	2.9
69.07046	2.2
69.45575	4.3
69.46001	3.6
70.06581	25.2
70.73853	0.8
71.04996	1.1
79.05472	2.3
81.03398	1.5
81.07021	2.8
81.80460	1.0
83.04948	3.3
85.02892	7.7
85.06548	8.5
86.09698	8.4
91.05454	2.3
93.07025	2.4
95.04951	2.6
95.08582	5.0
97.02847	2.8
97.06509	3.0
99.04445	1.2
105.07008	6.7
107.08563	2.5
108.05706	1.7
109.06479	4.0
109.10134	2.2
110.05826	1.0
111.08052	3.3
112.08708	0.8
118.06510	1.1
119.08571	6.6
119.98953	1.0
120.08068	1.0
121.06468	1.5
121.10116	6.2
123.08041	100.0
123.11659	1.4
124.08372	1.8
125.05959	2.9
127.03894	0.9
131.04895	1.4
131.08545	1.9
131.78419	0.9
133.06462	2.6
133.10081	2.1
135.08011	3.2
135.11603	0.9
137.09586	4.0
139.11143	10.3
145.04900	2.6
145.10100	1.2
146.05939	2.3
147.08040	8.4
147.11650	3.3
149.09569	7.9
151.07516	45.5
156.09286	3.3
161.09593	1.1
161.13222	5.0
163.11102	4.3
165.09058	2.1
165.12685	2.8
167.06999	3.0
169.08543	1.8
171.11618	7.4
174.10349	1.8
189.12706	48.8
190.12996	1.9
200.88341	0.9
201.11134	2.0
207.13762	96.8
208.14075	3.2
225.14806	3.5
257.92130	1.1
328.35477	0.9
347.18921	10.0
347.69034	3.3
404.20905	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15060	1.1
50.74461	0.9
53.03918	1.0
55.01866	1.2
55.05496	2.6
57.07048	1.5
62.86408	1.0
67.05485	3.1
67.18284	1.0
69.03402	3.3
69.07054	5.8
70.06581	45.7
71.04967	4.2
71.06889	1.4
71.14435	2.2
73.02882	1.3
79.05482	4.9
81.03420	1.8
81.07053	6.0
83.04951	4.8
83.08588	3.8
84.08121	1.7
85.02878	8.8
86.09203	1.3
86.09686	14.7
87.04451	7.2
88.03986	1.6
91.05454	6.3
93.07011	5.0
95.04948	6.5
95.08575	4.6
97.02863	3.6
97.06548	1.8
99.04436	10.1
103.05436	2.0
105.07001	5.8
107.04966	1.8
107.08575	37.0
108.08895	1.4
109.06522	6.1
109.10129	1.3
111.04404	2.3
112.08669	2.3
118.06511	2.5
119.04916	2.5
119.08559	2.9
120.08073	3.2
121.06453	2.0
121.10146	9.6
123.08045	100.0
123.11678	6.6
124.08356	2.7
125.05954	2.1
125.09607	24.4
127.03869	3.5
131.00557	1.0
131.04916	2.1
131.08531	3.9
133.06480	1.7
133.10048	2.2
137.05914	4.7
137.09593	1.4
139.11147	4.6
145.02797	2.1
145.06487	0.9
145.10124	1.3
146.05959	4.1
147.04417	1.8
147.11650	2.7
149.02284	5.4
149.06006	1.5
149.09589	41.6
150.02664	3.5
151.02809	2.8
151.03889	1.1
151.07484	3.9
151.11137	3.0
152.07028	1.1
157.09766	1.5
161.05977	1.9
161.09537	1.1
161.13321	1.3
163.07494	1.2
165.12704	3.5
167.07008	6.4
167.10663	13.0
168.07320	1.7
171.11639	1.6
173.13141	1.1
177.05403	5.3
179.07043	1.7
183.13725	3.9
189.12704	6.1
191.10646	1.4
192.08145	1.2
193.08560	2.1
203.06935	1.5
207.13774	9.8
212.65747	1.1
225.14813	76.3
226.15096	4.1
233.07965	1.2
235.13223	2.0
237.14664	2.4
242.18260	1.3
249.12419	1.2
249.14786	2.5
291.16003	1.4
347.18954	10.0
347.69037	7.6
348.19022	1.7
351.17993	1.6
358.55286	1.3
404.13898	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	404.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60786	0.3
57.24767	0.4
63.02374	0.5
70.64552	0.8
70.64913	0.7
72.08130	0.5
85.02884	0.5
89.03900	6.1
89.82489	0.4
91.05444	0.6
103.05486	0.4
117.03363	18.8
118.03728	0.8
127.03909	0.4
134.03584	1.8
135.04396	1.2
143.14316	0.4
145.02820	48.2
146.03157	2.0
149.05954	6.9
155.64655	0.4
163.03812	0.7
164.23599	0.3
167.07033	0.9
177.05443	100.0
178.05763	3.2
186.05444	1.0
245.74825	0.4
248.02391	0.4
249.46701	0.3
252.35724	0.5
273.47205	0.5
404.34802	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61396	0.3
56.25083	0.3
59.04987	0.4
64.26837	0.3
69.03423	0.6
70.06588	0.5
70.57272	1.1
72.08143	0.6
74.26963	0.3
79.64931	0.3
79.99529	0.3
81.03418	0.5
82.06557	0.4
84.08120	0.7
85.02880	1.5
87.00817	0.4
87.42767	0.3
88.02136	0.4
89.03907	6.1
91.05481	0.8
93.07034	0.4
94.02920	0.7
95.01292	0.5
95.04945	0.3
103.05442	0.4
105.01857	0.5
106.04153	0.5
107.04941	0.3
109.08820	0.3
117.03364	20.3
118.03650	0.5
119.04917	0.4
121.06443	0.4
122.06024	0.5
123.08044	0.4
127.03925	0.8
134.03618	1.5
135.04402	1.4
136.03920	12.5
136.04947	0.7
145.02824	49.1
146.03151	1.3
147.04370	0.5
149.05952	7.5
149.66969	0.3
150.05455	0.6
151.07507	0.4
154.04951	0.9
161.05962	0.3
162.03177	0.4
163.03917	0.9
167.07004	1.5
175.03786	0.4
177.05443	100.0
178.05809	3.4
186.05513	0.9
207.06415	0.4
210.07620	2.4
228.08629	2.9
239.46049	0.4
371.22794	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.2
55.01855	3.6
55.05500	2.7
56.05016	3.1
57.03428	1.9
58.87814	0.9
59.04986	3.0
61.02921	1.3
62.82640	1.0
67.05511	5.4
67.05794	0.9
69.03414	8.5
69.07054	3.6
70.06198	1.4
70.06580	26.1
70.85960	3.1
71.04984	2.2
72.08143	12.2
73.02914	1.2
73.08457	1.3
74.06050	1.4
79.05467	5.4
81.03381	2.3
81.07039	3.2
83.04967	8.7
83.53104	1.1
84.04493	15.1
84.08128	8.5
85.02895	8.9
85.06499	3.0
86.09691	17.0
88.02195	1.3
88.03951	1.3
89.03899	5.5
91.05451	16.5
93.07025	58.5
95.04951	9.4
95.08594	2.9
97.02871	2.0
97.06527	4.5
99.04424	1.4
102.05505	6.8
103.05454	4.0
104.05286	1.7
105.06995	6.5
107.04980	1.6
107.08578	5.7
109.02917	2.1
109.06516	3.2
109.10146	1.7
110.07192	1.4
111.04398	1.7
111.08072	2.0
113.02366	1.6
113.06020	1.5
116.07103	2.5
117.03366	21.5
117.07040	1.8
119.04912	1.9
119.08555	3.9
120.08068	2.8
121.06483	97.6
121.10117	3.4
122.06813	1.4
123.04428	1.4
123.08045	1.7
127.03875	2.6
127.07516	8.8
129.01823	1.9
129.10223	3.6
130.08635	2.0
131.08536	2.3
133.10132	2.0
134.03618	2.4
135.04416	2.7
135.08018	10.9
135.11668	2.0
136.03885	8.7
136.07492	1.6
137.05954	1.6
137.09601	2.6
139.07536	3.1
145.02815	53.8
145.06512	2.0
145.10068	3.3
147.04411	2.6
147.07985	3.9
149.05937	11.0
149.09610	6.1
151.03839	2.0
153.09079	2.6
153.10204	1.8
154.08627	1.7
155.10626	2.2
159.07936	1.2
159.11674	8.5
163.03815	1.9
163.11174	2.5
165.09067	2.0
167.07002	5.1
167.08269	1.7
167.10783	1.2
171.11374	1.5
172.10764	2.4
175.11087	3.7
177.05438	100.0
177.12761	3.8
179.10645	1.4
183.06465	2.5
187.11122	5.1
195.07672	1.4
201.12396	2.1
205.12201	62.9
207.06483	2.1
209.11711	2.6
210.07611	1.6
223.13255	28.2
223.15430	2.1
224.15793	2.1
228.08636	2.1
229.15370	2.4
235.07413	1.4
241.05130	1.1
241.07967	1.1
241.14284	3.0
252.10213	1.6
274.03830	1.2
403.19925	1.4
417.22681	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67815	2.7
53.03933	3.2
55.01851	3.7
55.05498	16.3
57.03428	5.5
67.05493	35.7
69.03400	3.0
69.07057	25.5
69.77168	11.3
74.02955	3.1
79.05064	3.0
79.05485	32.0
81.07042	98.6
83.04975	6.7
83.08593	20.3
91.05460	27.1
93.07031	22.0
95.04932	13.9
95.08586	26.0
97.06499	8.7
97.10134	3.4
99.08080	3.6
105.07014	26.5
105.09740	2.5
107.04927	10.8
107.08546	16.5
109.06491	28.4
109.10122	10.7
111.08040	5.0
117.06983	8.1
119.08543	18.7
121.06483	4.9
121.10110	12.6
123.08044	6.1
123.11695	5.6
129.01805	4.3
129.06969	3.1
130.81361	2.9
131.08533	13.0
133.10127	18.7
135.08029	5.6
135.11682	7.7
137.09608	4.9
145.10078	14.1
147.11632	18.5
149.09560	10.1
149.13232	7.7
151.11154	3.0
156.20781	3.0
157.10013	2.9
159.11662	7.0
161.09613	3.4
161.13240	3.9
163.11186	9.0
165.12698	6.3
173.13202	4.9
173.26370	2.8
175.11183	5.6
177.12749	4.5
183.11742	3.5
247.20520	4.5
257.19022	6.1
275.20029	57.0
276.20239	3.5
293.21042	16.7
296.90662	2.9
349.23703	85.2
350.24030	6.6
352.24689	3.2
367.24728	100.0
368.25095	11.3
402.32071	6.0
403.24487	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	402.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	27.4
57.03420	23.0
62.23674	8.0
63.69579	7.3
65.97916	7.8
67.05493	84.2
69.03402	15.1
69.07057	53.2
69.80409	51.4
71.04974	7.9
79.05473	68.1
79.34328	7.2
81.03390	9.1
81.07040	100.0
83.04945	19.5
83.08624	19.3
83.40514	7.8
85.02859	10.9
85.06496	7.7
91.05459	46.8
91.05924	7.8
93.07023	86.7
93.34172	7.0
95.04946	21.4
95.08573	34.7
97.02890	9.0
97.06499	27.7
97.10136	11.9
98.20803	11.5
105.07010	46.2
107.08566	58.1
109.10143	17.3
111.08073	9.9
117.06994	27.8
119.08546	25.8
121.10108	28.3
123.11650	8.4
131.08510	24.7
133.10095	34.4
135.11652	33.9
135.81851	7.7
145.10085	27.1
147.11650	18.2
149.09592	18.9
149.13223	29.2
150.34789	7.6
157.10106	16.0
159.11649	35.8
163.11140	14.8
177.12724	19.9
179.14319	9.8
213.07697	8.6
227.12782	15.6
229.14488	8.1
247.37286	7.8
255.15848	88.7
257.18811	10.1
269.17407	94.0
275.20013	54.9
349.23651	44.1
367.24716	9.9
373.09268	13.0
403.13647	18.7
403.24670	14.2
421.12717	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	402.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.9
55.01858	7.4
55.05261	1.9
55.05503	24.2
57.03428	5.8
57.07054	2.3
61.26708	1.9
67.05492	40.6
69.03402	2.6
69.07057	23.4
70.06580	2.3
71.04980	4.1
71.55448	3.0
76.42485	2.3
79.05479	35.1
79.96548	1.9
81.03397	5.7
81.07043	100.0
83.04974	8.8
83.08595	15.8
85.06577	2.4
91.05467	28.5
93.07026	32.8
93.23923	1.8
95.04950	12.6
95.08591	29.0
97.06519	8.9
97.10161	2.4
99.08019	2.2
105.07014	28.0
107.04919	10.0
107.08575	21.8
107.66898	2.0
109.02915	2.2
109.06486	31.3
109.10150	12.7
111.08078	5.6
117.07023	10.4
119.08556	26.1
121.06507	4.5
121.10119	16.8
123.08043	10.6
123.11681	5.2
125.09626	3.1
129.06966	3.8
131.08519	16.2
133.06473	2.0
133.10100	19.1
135.08038	4.5
135.11682	6.8
137.09607	5.1
141.06940	2.9
143.96439	2.1
145.06451	2.7
145.10097	12.7
147.11661	19.0
149.09534	11.7
149.13255	7.1
151.11179	4.7
157.10107	4.7
159.11638	12.1
161.13255	4.1
163.11194	9.4
165.12704	4.2
173.13245	5.7
175.11214	3.5
176.16458	2.1
177.12749	2.9
183.11679	2.2
193.12155	3.6
215.14423	2.8
229.19476	3.9
239.17903	3.9
247.20570	5.9
257.19012	8.0
275.20016	94.5
276.20087	2.2
293.21106	15.4
349.23685	98.6
350.24127	5.0
367.24774	73.5
367.29388	4.3
368.24963	4.8
373.08963	4.2
403.13660	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	402.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96881	0.5
55.01840	0.6
55.05483	0.6
59.04990	7.0
67.05492	0.8
69.03426	0.7
69.07042	0.8
69.75579	1.1
69.75987	2.2
70.06585	3.5
71.04971	0.5
72.08119	1.2
73.06550	1.1
74.28710	0.5
79.05473	1.6
81.03414	0.6
81.07040	1.4
83.04942	0.8
84.08128	1.7
85.02882	1.6
86.09692	3.1
87.04437	4.5
89.06013	100.0
90.06351	0.9
91.05463	1.8
93.07036	1.9
95.04922	0.7
95.08600	0.9
96.04449	0.7
97.02848	0.6
98.20856	0.9
99.08073	0.8
103.07548	2.3
105.07040	1.1
107.04971	0.7
107.07053	2.6
107.08555	0.8
110.07143	0.8
119.04917	0.6
120.01194	0.7
121.06484	1.0
121.10117	0.6
122.06029	0.7
127.03910	1.2
130.08635	1.2
131.07019	1.4
133.08574	55.9
134.08882	1.2
135.08006	0.6
137.05949	1.1
140.07114	1.0
142.08607	0.9
146.05963	0.7
147.04393	1.6
147.10153	1.7
153.01799	0.5
154.08578	4.6
167.07045	2.3
168.07420	0.6
175.09674	0.7
177.05467	0.6
177.11188	19.1
178.05336	0.7
181.04898	0.5
189.09024	0.6
191.06995	1.0
191.12791	1.0
193.08536	0.5
195.12277	1.0
201.05528	0.9
205.06610	0.6
205.09937	2.3
205.12021	0.6
221.13733	4.6
229.04994	1.8
239.14844	3.5
248.07851	0.6
270.17526	0.5
275.05576	1.1
283.17508	5.3
292.10492	0.7
305.11331	0.7
311.05597	0.7
316.09146	1.1
321.52917	0.6
327.20078	43.3
328.20532	1.5
330.10831	0.6
331.11237	1.1
339.05280	0.6
384.15335	2.1
385.05527	1.7
385.24252	21.2
386.24753	0.7
402.26801	1.0
403.19537	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.7
55.01856	0.7
55.05497	1.1
57.03423	3.9
58.99570	0.7
59.04992	85.3
59.23060	0.6
59.71906	0.6
60.04519	1.0
61.02909	1.5
67.05468	0.9
69.03417	3.7
69.07047	1.4
70.06584	8.2
70.39855	1.6
70.40242	1.5
71.04968	0.7
71.06895	0.6
72.08145	5.1
73.02883	0.9
79.05489	0.9
81.03394	1.8
81.07028	1.0
83.08555	0.7
84.04478	1.6
84.08106	3.8
85.02897	8.7
86.09697	8.6
87.04411	1.6
87.05572	0.7
87.76328	0.7
88.03963	0.9
89.06025	14.4
91.05471	1.6
93.07023	1.5
95.04920	1.2
97.02863	2.8
97.24236	0.6
100.07590	0.8
102.05489	0.7
103.03913	1.7
103.07556	2.9
106.12233	0.7
107.04977	0.8
107.07051	15.3
109.02844	1.1
109.06527	1.0
110.07144	1.6
116.07076	1.6
117.09111	16.8
120.08089	1.4
123.04383	1.3
124.07584	1.2
126.09118	2.4
127.03881	2.8
129.10240	2.2
131.04878	2.9
132.95880	0.7
133.05984	0.7
133.08501	0.7
136.07524	2.9
137.05988	1.1
137.09518	0.8
138.09091	0.9
141.10208	0.8
142.57904	0.9
145.02797	0.9
145.04930	1.4
147.04427	3.4
147.10139	2.3
151.03763	0.7
154.05798	0.9
154.08597	15.1
163.03812	0.9
165.11218	7.9
167.07011	1.3
167.10689	0.6
177.05441	3.0
178.05644	1.5
179.03331	1.9
179.06972	0.8
181.04883	0.9
191.06944	0.7
200.13937	1.0
223.15367	100.0
224.15712	2.3
228.13379	1.4
327.20139	1.0
331.11200	0.8
375.65787	0.8
384.14819	1.2
402.14499	2.0
402.20160	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	402.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27561	0.7
55.01851	1.5
57.03139	1.1
57.03425	18.8
59.04974	0.8
61.02918	7.8
69.03419	21.1
69.65385	3.1
69.65801	1.7
70.06584	1.8
71.01347	2.5
71.04979	0.9
72.08160	1.1
73.02905	43.4
73.06543	100.0
74.06882	1.3
80.49199	0.7
81.03407	2.7
84.04539	0.8
84.08129	1.6
85.02891	39.4
86.03183	0.8
86.09723	1.8
87.04459	1.6
91.03938	1.1
91.07575	15.9
97.02876	38.6
98.21432	1.3
99.04444	1.3
104.46986	0.7
105.07003	1.9
109.02869	3.2
115.03912	27.0
122.09642	0.7
124.07579	0.8
127.03886	12.2
132.06635	1.0
133.04927	8.5
136.07578	1.0
145.02870	1.7
145.04942	12.8
147.04407	2.2
150.07661	1.4
151.03957	0.8
152.07004	2.0
160.07654	0.8
163.05946	5.1
177.05486	2.0
178.05798	2.0
179.03355	0.7
179.25140	0.7
181.05106	0.7
187.09700	3.0
213.87721	0.8
217.10860	0.8
223.06013	2.5
223.11720	3.3
225.69539	0.7
231.69684	0.8
241.07004	4.9
253.12827	11.4
254.32617	0.7
259.08124	5.3
266.73920	0.7
292.77682	0.9
295.10144	5.8
306.46011	0.8
407.30756	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.2
55.01849	1.1
55.05497	14.9
57.03421	5.8
57.07061	100.0
57.60920	0.8
61.02917	1.2
67.05124	1.9
67.05488	32.6
69.03413	23.4
69.07053	20.9
71.04975	3.7
71.08614	77.2
73.02884	1.4
79.05473	2.6
81.02925	1.1
81.03400	23.5
81.07037	46.4
82.07377	1.1
83.08599	32.8
84.08908	1.0
85.02886	29.4
85.10163	40.4
86.10557	0.9
87.04451	1.3
88.07607	1.4
89.06014	1.5
93.07017	2.9
95.08585	73.3
96.08911	1.9
97.02867	17.8
97.10144	18.9
99.04429	10.4
99.11710	4.4
101.02359	1.6
109.02866	9.7
109.10128	34.3
110.10455	1.8
111.11711	6.0
113.13258	1.7
123.11674	18.5
124.12052	1.2
125.13226	6.2
127.03884	24.7
131.08502	1.3
137.13213	8.4
139.14767	2.6
145.04926	13.8
151.14806	4.5
165.16373	3.1
177.12761	1.0
178.13083	1.7
220.14064	1.1
221.22685	5.6
231.93181	0.9
239.23642	62.1
240.23999	1.6
243.63686	0.9
257.24741	4.9
298.27383	1.6
300.26373	1.0
329.03015	1.2
339.34265	1.3
341.26755	2.4
343.06613	1.0
383.27823	14.3
384.28226	1.5
401.28821	5.4
401.38022	5.5
402.39285	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84385	0.2
55.01855	0.2
55.05513	0.2
57.03418	0.2
57.07066	5.3
61.02914	0.2
65.03931	0.7
69.03417	0.5
69.07056	0.2
69.21366	2.3
70.06584	0.3
79.05488	0.3
81.03438	0.4
81.07034	0.3
84.08121	0.4
85.02884	1.2
91.05460	0.4
93.03415	0.4
93.07028	0.5
95.08589	0.3
97.02855	0.5
101.03354	0.2
105.07005	0.5
107.04904	0.3
107.08562	0.3
119.08584	0.4
121.02844	2.1
121.06498	0.2
121.10132	0.2
127.03917	0.5
131.08600	0.3
133.10094	0.2
145.04987	0.2
145.06284	0.2
145.10130	0.8
147.11662	0.2
149.02318	100.0
150.02644	1.6
151.07530	0.2
156.05559	0.2
159.07961	0.2
161.05991	0.2
167.03372	7.6
167.07008	1.8
168.07355	0.8
169.22742	0.2
177.05553	0.2
180.08643	0.5
181.04990	0.4
185.13164	0.3
190.04984	0.7
205.08560	1.5
207.06468	0.2
217.08594	0.3
220.08313	0.2
223.09613	17.7
224.07935	0.2
224.10034	0.4
227.29033	0.2
235.07320	0.2
245.15437	0.7
248.10037	0.4
270.08246	0.4
309.10434	0.3
315.08566	0.3
316.08896	0.8
324.13080	0.3
330.10892	0.4
331.11246	1.1
332.12115	0.3
340.12473	0.3
344.12436	0.2
349.16174	0.3
352.12695	0.4
373.12601	0.2
373.17413	0.2
384.15308	1.1
401.73041	0.2
402.16339	1.0
402.27115	0.4
403.13770	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.3
55.01853	3.2
55.05498	8.0
57.03416	1.6
57.07066	58.3
65.58312	1.0
67.05497	16.8
69.03426	8.3
69.07053	10.7
69.46188	7.7
71.04972	2.0
71.08620	46.9
73.02889	1.3
80.47493	0.9
81.03402	11.3
81.07043	22.9
83.08603	18.0
85.02888	2.6
85.06502	1.3
85.10172	25.9
95.08595	37.1
97.02877	67.5
97.10151	8.9
99.04436	18.5
99.11694	2.6
109.02847	11.0
109.10139	17.9
111.11672	3.0
123.11691	9.1
125.13248	4.0
127.03891	34.1
137.13206	5.2
139.14795	1.6
145.04947	5.5
151.14755	1.5
165.16321	1.3
170.28647	0.8
186.14427	0.9
195.13388	1.1
221.22592	4.2
239.23660	100.0
240.23981	2.7
257.24765	2.0
298.27319	1.2
303.06412	1.0
310.25989	1.1
314.44400	1.2
335.25790	3.7
383.27823	4.1
401.29077	1.5
401.37903	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	401.283
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26322	2.6
53.03930	3.9
55.05502	13.5
57.07060	10.2
67.05489	18.4
69.03394	4.1
69.07075	12.6
71.04996	13.0
71.08606	4.0
71.65843	2.3
74.93138	2.4
79.05479	21.6
81.03360	3.4
81.07036	40.7
83.08617	4.7
83.35106	2.4
87.04456	2.7
91.05464	42.8
93.07024	53.8
95.04948	10.1
95.08593	27.9
97.02901	2.5
105.07014	98.2
106.07247	3.5
107.08578	45.4
109.06498	58.2
109.10136	15.8
111.08042	6.1
115.05419	5.0
116.06198	2.7
117.07007	26.8
117.18219	2.8
119.08555	82.9
121.10110	18.8
123.08035	5.5
123.11711	6.1
127.03851	5.7
128.06200	8.2
129.06981	21.8
130.07733	9.7
131.08546	71.9
133.09106	4.8
133.10104	90.5
135.08028	19.0
135.11668	27.3
137.09589	6.7
141.06960	8.8
142.07764	28.5
143.08551	45.5
144.09331	12.5
145.10095	100.0
146.10480	3.6
147.07971	7.8
147.11638	16.6
149.09576	4.0
153.07025	3.8
154.07739	4.4
155.08517	19.9
156.09309	18.4
157.10097	68.4
158.10909	18.0
159.11665	32.2
161.09586	3.7
161.13206	5.3
165.06973	8.7
166.07625	3.0
167.08528	9.0
168.09319	10.0
169.10101	24.5
170.10826	10.6
171.11667	33.9
172.12448	4.2
173.13239	42.1
174.13527	3.6
175.14786	17.3
179.08536	12.2
180.09276	5.8
181.10101	11.4
182.10782	8.8
183.11644	26.9
184.12497	6.1
185.13223	15.8
187.14790	43.8
189.12712	2.9
193.10062	10.1
194.10829	9.4
195.11636	21.2
196.12439	5.5
197.13179	19.0
199.14780	24.5
201.12700	9.1
201.16341	3.4
206.10855	5.4
207.11627	14.9
208.12405	4.5
209.13222	21.4
210.13718	3.6
211.14775	11.1
213.12656	4.0
213.16280	3.0
220.12469	5.0
221.13211	15.6
222.13911	4.7
223.14717	9.7
233.13124	2.7
235.14836	8.0
237.16261	10.0
239.17816	3.4
239.23648	5.0
246.13947	3.9
247.14983	4.4
249.16393	4.7
251.17896	7.6
252.18558	4.3
253.19371	5.3
260.15576	3.3
261.16241	6.4
263.17764	6.4
265.19434	7.5
273.16443	3.6
275.17999	4.2
277.95465	2.4
301.19623	3.5
345.22052	4.0
401.13675	8.9
401.18484	14.2
401.27203	43.0
401.37964	4.3
402.13974	4.6
402.18744	5.1
402.27649	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	401.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.9
55.01860	4.3
55.05506	5.2
57.03419	3.4
59.24224	2.7
61.02898	4.3
67.05482	11.2
69.03407	23.1
69.07045	5.4
70.06564	9.4
70.64301	2.9
70.64645	9.7
71.05002	3.6
79.05476	19.2
81.03413	16.8
81.07048	26.2
83.04956	8.3
84.08121	8.8
85.02893	40.9
85.06514	3.4
86.09679	4.1
87.00814	14.7
91.05442	13.7
93.07026	36.9
95.04965	13.9
95.08598	21.7
97.02864	16.6
97.06522	9.9
97.83688	3.1
99.04425	8.4
103.03930	3.5
105.01861	17.4
105.06997	22.3
107.04944	28.6
107.08574	46.5
109.02846	11.3
109.06502	5.7
109.10139	8.1
110.02370	3.1
111.04430	7.0
115.03925	3.3
117.06970	3.9
119.08555	10.2
120.08076	2.9
121.06480	3.8
121.10134	8.2
123.04401	7.2
123.08039	6.8
124.05196	4.3
125.05944	3.2
127.03901	25.1
128.06128	3.7
129.06946	8.2
131.04889	8.5
131.08569	13.8
133.06471	3.7
133.10092	9.1
135.08115	2.7
135.11667	24.8
137.05965	2.9
137.09605	3.7
137.13235	5.6
141.06947	4.4
144.05630	4.2
145.04918	9.6
145.06480	5.6
145.10110	7.0
147.11624	8.4
148.07555	3.2
149.05965	3.0
151.11133	2.8
152.04688	4.6
153.12746	7.6
156.05641	8.3
157.06465	5.3
157.10118	3.2
159.02861	8.8
159.08038	10.0
159.11639	6.3
161.05896	5.8
163.11171	12.0
165.09087	3.9
165.12743	10.0
167.07008	89.3
171.11635	3.1
173.05956	6.0
173.13165	3.6
177.12677	5.8
181.03348	2.8
181.04898	4.5
183.76180	2.4
185.09599	3.4
186.06810	3.7
187.07492	8.6
193.08577	3.2
193.12199	5.5
195.06429	4.0
202.06076	3.4
205.08572	12.5
207.06422	4.9
208.05164	20.2
214.34631	2.9
215.14252	3.0
217.08551	34.3
217.10405	4.0
218.07291	4.4
219.08041	12.4
219.10098	6.9
219.13942	3.2
221.05963	5.6
229.08481	6.4
231.04941	4.5
231.08173	5.2
231.10156	6.4
233.09685	3.7
233.15140	3.2
236.04611	5.8
236.08328	5.2
243.13800	5.2
247.07468	12.0
247.09673	17.2
248.08247	9.1
249.08902	3.0
254.05640	6.2
259.07700	4.3
261.09067	6.8
261.14819	28.2
262.09830	5.5
262.68875	2.7
263.06970	4.6
263.10580	5.1
264.07813	6.3
265.08511	7.5
267.06412	6.8
268.03632	3.2
269.08109	22.6
271.09595	7.8
272.06711	4.4
275.07019	9.1
276.07825	5.3
277.08481	7.9
279.10031	7.4
279.15729	3.8
282.05362	3.7
282.08774	12.7
290.09341	4.1
291.10117	15.5
292.07208	7.1
293.07953	11.0
299.09036	4.8
301.06961	4.1
307.09564	8.8
308.10379	8.9
309.11157	3.4
310.08289	5.6
311.12772	3.2
315.08554	88.8
319.09598	8.5
321.11008	5.0
321.16791	8.2
323.12723	12.8
328.09604	3.5
330.10898	100.0
331.11496	16.4
335.09296	3.8
336.09833	5.3
337.10678	8.7
339.12234	7.1
341.13974	3.3
343.11661	13.1
347.14807	13.3
351.12250	25.3
352.12997	5.7
353.10046	6.9
356.12592	3.9
365.15842	13.4
368.12424	9.4
369.13309	8.3
371.14658	8.2
383.14749	73.5
384.15134	6.8
401.15961	39.8
401.23853	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	401.159
Annotation	CHEMBL1821994
Peak:m/z	Relative Intensity
51.02388	1.1
53.03924	2.4
55.01850	3.0
55.05492	1.9
56.18183	1.0
57.03418	1.9
57.56990	0.9
58.99569	1.3
63.17598	0.9
65.03915	4.3
67.05489	7.4
67.68768	0.9
68.99776	1.9
69.03415	4.1
69.07050	2.6
70.06576	9.4
71.04955	2.0
71.51929	1.1
72.08154	8.5
73.02894	2.3
74.00638	1.1
77.03916	1.0
78.04671	1.0
79.05485	12.6
81.03392	2.9
81.07047	9.0
82.04166	1.1
83.04957	1.6
83.08624	1.1
84.04456	1.2
84.08134	3.9
85.02893	5.8
85.24010	1.0
86.09692	13.6
89.05979	1.6
91.05469	9.1
93.07030	6.4
94.04156	1.8
94.06515	1.5
95.01311	1.5
95.04952	18.0
95.08591	9.3
97.02870	1.8
97.06479	1.9
103.05454	5.3
105.03370	1.6
105.07021	6.4
106.04144	1.7
107.04943	17.9
107.08585	5.1
109.02856	1.2
109.06509	3.1
109.10117	3.9
109.26440	1.0
111.04437	3.1
111.08064	1.8
113.02335	1.5
115.05440	4.6
115.35644	1.0
116.06219	2.0
117.03350	1.8
117.06997	3.7
119.04893	1.7
119.08556	3.2
120.08121	1.4
121.06464	6.5
121.10109	1.7
122.02748	1.2
122.03621	1.3
122.06027	1.7
123.04414	14.5
123.11684	7.2
124.05155	2.4
124.07579	2.5
125.02339	1.3
125.06001	2.8
127.03866	2.7
128.06195	7.7
129.06999	7.5
129.10161	1.7
131.04889	6.3
131.08524	6.6
132.05667	2.1
133.02823	1.7
133.06412	2.3
133.10120	3.0
135.08096	1.6
135.11659	2.4
137.05968	5.6
137.09579	2.9
139.11090	1.6
140.04655	3.1
140.07045	3.0
141.01779	2.0
141.05496	1.1
141.06966	7.8
142.07663	5.0
143.04906	1.9
143.08527	3.6
144.05692	6.4
145.06448	6.8
145.10086	2.1
147.04401	2.4
147.11591	1.2
148.05089	1.5
149.05948	5.8
149.09619	2.0
151.03856	8.5
151.11143	2.9
152.04680	2.6
153.05504	2.2
153.06992	2.5
155.07010	4.8
156.05681	7.1
157.06467	6.3
158.07271	3.2
159.08035	12.5
159.09221	1.9
159.11540	1.1
161.05952	4.2
161.09599	1.9
163.03868	2.0
163.07500	3.5
165.05397	2.0
167.07014	41.5
168.04126	3.1
169.05023	1.6
169.06433	2.8
170.05931	1.9
170.07243	19.9
171.04482	1.4
171.06686	1.2
171.07986	7.5
171.11282	1.6
172.05196	2.0
173.05879	5.4
173.09566	1.5
174.06757	2.7
175.07478	4.5
175.11095	1.2
176.04689	1.4
177.05458	14.1
177.09042	1.4
179.07016	2.2
181.04950	1.7
181.06459	1.8
181.08562	2.7
183.06499	25.6
184.05170	1.8
184.06827	1.1
185.05931	2.7
186.06743	2.8
187.07512	12.9
189.05562	5.3
189.09012	1.8
191.07001	10.8
191.08498	1.7
193.08603	4.6
195.06441	1.4
197.08012	2.5
198.06743	5.4
199.07526	3.8
201.05429	4.7
201.09050	2.5
202.06155	3.3
202.07820	1.5
203.06978	15.5
203.08594	1.8
203.10371	1.8
204.07826	1.9
205.06691	2.0
205.08580	5.5
205.10275	1.4
206.07056	1.3
207.06422	1.8
207.08134	2.6
207.10088	1.3
208.05215	3.7
209.06221	1.0
209.08020	5.2
215.07008	2.0
215.14088	1.6
216.07770	10.3
217.06636	1.3
217.08534	35.4
218.07220	3.5
218.09309	18.1
219.08054	5.6
219.10095	47.0
220.08743	3.7
220.10628	1.4
221.05946	2.3
221.09676	1.7
223.07640	1.6
229.06264	1.3
229.08525	1.6
231.07997	4.8
231.10098	38.2
232.10707	3.6
233.06023	2.2
233.09592	2.1
234.06696	3.0
235.07509	4.6
236.04700	1.8
236.08357	2.1
243.08089	1.2
245.09523	2.4
246.06578	1.4
247.07495	8.2
247.09705	3.0
248.08318	6.3
249.09093	5.0
249.11310	1.5
251.07014	1.9
254.05690	1.5
259.07568	1.8
260.08209	2.2
261.09012	2.7
262.06189	1.5
262.09766	1.8
263.07010	2.5
263.10599	4.3
264.07889	5.1
265.08563	4.4
267.06516	1.6
269.08078	4.8
273.09177	1.3
275.07001	3.8
276.07773	4.0
277.08603	8.2
278.09354	1.9
279.06540	3.0
279.10150	5.4
280.07236	1.3
281.08026	2.1
282.08627	1.8
290.09427	2.8
291.06827	1.6
291.09958	7.3
292.07306	2.4
292.10550	1.2
293.08081	5.6
294.08691	2.6
305.08185	7.6
307.09512	8.7
308.07016	1.3
308.10355	4.8
309.11078	5.0
310.08231	1.5
311.09357	1.6
311.12723	2.5
315.08633	15.1
319.09644	2.9
320.10400	1.5
321.07486	1.5
321.11057	2.0
322.08295	3.7
323.09042	2.6
323.12790	5.3
324.09674	1.7
325.10535	1.4
330.10922	14.9
331.11722	3.0
335.08984	1.3
336.09818	2.1
337.10629	10.6
338.11398	1.5
339.08585	2.0
339.12238	4.6
340.13000	1.7
341.13779	3.3
343.11697	3.8
351.12177	10.0
352.12781	2.0
353.10150	3.1
355.11810	1.7
358.14014	2.4
368.12332	2.4
369.13260	31.1
370.13770	2.3
371.14893	2.8
373.16879	1.4
383.14810	28.6
386.13629	1.3
401.15915	100.0
402.16312	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	401.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.5
55.01857	3.0
55.05494	4.4
56.05017	2.2
57.03413	3.5
59.04991	2.0
60.61527	1.5
61.02928	2.3
64.30997	1.3
65.03917	2.2
67.05488	6.2
69.03413	7.6
69.07042	2.1
70.06577	13.1
71.04958	3.2
71.53276	2.0
71.53649	1.9
72.08140	9.8
73.02899	8.6
79.05476	18.2
81.03397	4.2
81.07031	6.7
83.04947	6.3
84.04481	1.9
84.08107	5.8
85.02901	15.6
85.06517	1.7
86.09692	15.1
87.04453	1.9
88.02195	1.8
89.06006	2.1
91.05464	10.5
93.07015	5.8
95.04938	6.3
95.08596	3.7
96.04477	2.8
97.02858	5.0
99.04438	3.5
103.03921	3.3
103.05454	2.3
105.01796	1.7
105.06989	6.3
107.04936	27.0
107.08573	3.6
109.02872	3.5
109.06493	4.1
109.10104	4.1
110.07150	4.4
111.04430	2.9
111.08086	1.8
111.75789	1.5
114.09233	1.7
115.03916	2.5
115.05436	4.4
116.07086	2.2
117.03359	2.3
117.06990	4.5
119.04937	2.6
119.08553	5.3
120.08060	2.0
121.06431	2.3
121.10120	2.2
122.05999	4.1
123.04404	5.5
123.08088	1.5
124.05183	6.2
124.07536	2.0
125.05962	3.3
127.03894	5.4
128.04266	1.4
128.06235	2.0
129.07004	7.6
129.10188	3.2
131.04919	2.4
131.07004	1.7
131.08521	10.3
133.06432	2.6
133.10124	3.6
134.03568	1.9
135.11670	2.1
136.07593	2.1
137.05936	5.2
137.09567	4.9
139.07523	2.2
140.07036	4.0
141.06932	4.1
143.08528	2.6
144.05672	7.4
145.02820	6.5
145.04907	5.7
145.06451	6.1
145.10110	3.8
146.03189	1.9
147.04362	4.1
147.07965	1.8
149.05919	3.1
149.09550	1.6
151.03821	3.2
151.07510	2.1
152.04680	3.2
153.05428	3.6
154.08617	16.5
156.05626	10.3
157.06468	4.7
157.29872	1.4
158.07253	2.8
159.08046	13.2
159.11563	1.4
160.22691	1.4
161.05902	5.5
161.09575	2.4
163.03911	2.2
163.06027	2.4
163.07530	2.2
165.05537	2.1
165.06912	2.6
165.09106	3.5
167.07004	92.4
168.07373	1.5
169.06447	2.8
173.05920	5.2
174.06714	2.9
175.07504	2.9
177.05469	15.9
177.08896	2.0
177.12712	1.8
178.05788	7.9
179.06982	3.1
179.08461	1.8
181.04924	4.9
181.06415	2.0
181.08563	3.8
184.05222	3.1
185.06050	1.3
185.16426	1.7
186.06728	3.4
187.07524	8.4
189.09067	2.3
189.12326	2.5
190.06200	3.2
190.07715	2.7
191.07013	7.8
191.08522	2.5
193.06593	1.7
193.08536	4.7
195.06441	4.3
199.18010	2.5
201.09119	2.0
202.06192	4.5
202.07816	2.4
203.06952	2.8
203.08643	3.3
204.07872	1.9
205.06645	2.3
205.08559	13.7
205.10194	2.3
207.06490	6.3
207.08241	2.2
207.10057	2.5
208.05147	19.3
208.08746	3.1
209.06029	1.6
209.08026	2.5
211.07512	2.6
211.15282	1.7
213.15849	1.7
215.08572	1.7
217.08539	33.9
218.07253	5.1
219.08015	10.8
219.10173	5.0
220.08777	5.1
221.05997	5.1
221.15196	2.0
228.90424	2.0
229.08594	6.6
231.08035	5.9
231.10153	3.4
232.08788	4.5
233.06129	2.2
233.09492	5.0
234.06731	2.7
235.07512	3.8
236.04552	8.3
236.08322	3.3
237.08871	3.3
238.06230	2.2
240.04187	3.2
245.09561	3.3
246.06738	1.7
247.07413	13.1
247.09647	21.2
248.08234	12.9
249.05370	2.3
249.09027	5.4
250.06284	2.4
251.10463	3.1
254.05704	10.7
255.06204	2.1
257.07877	1.6
258.06769	2.0
259.07571	3.7
260.08444	2.0
261.09064	4.8
262.09900	5.1
263.07019	4.0
263.10583	11.0
264.07730	8.1
265.08496	6.0
267.06586	7.4
267.09467	1.3
268.03708	2.7
269.08044	27.6
271.05807	1.9
271.09579	6.4
272.06680	3.6
275.06985	5.8
276.07837	8.7
277.08615	6.0
279.07117	2.3
279.10153	10.4
280.10938	2.7
281.08215	2.4
282.05472	3.3
282.08813	12.4
284.06699	2.1
285.07526	2.7
285.11624	2.5
287.09372	2.1
290.09216	5.1
291.10059	17.4
292.07190	6.8
292.10431	2.3
293.08044	12.3
293.11234	2.4
294.08401	2.5
296.10458	3.3
299.09052	4.3
300.06296	3.7
300.09634	2.4
301.07040	3.3
305.08206	3.0
307.09628	10.6
308.10367	6.3
309.10913	2.4
310.08115	6.9
311.12720	4.4
315.08563	88.5
316.08994	4.3
318.08621	2.2
319.09708	7.3
320.10226	2.5
321.07532	6.1
321.11060	4.2
322.08316	2.9
322.11963	2.7
323.09143	2.5
323.12711	15.3
325.10687	3.2
328.09235	3.9
330.10916	100.0
331.11542	13.1
335.09113	1.7
336.09982	4.6
337.10550	7.3
338.07700	2.4
339.12238	11.1
343.11710	21.4
351.12167	29.4
352.12692	4.8
353.10172	7.1
356.12540	2.3
368.12460	10.6
369.13226	6.2
370.13751	1.8
371.14844	6.7
373.16708	1.9
383.14807	91.3
384.15161	4.2
401.16125	23.5
401.21371	2.1
401.23380	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	401.1585
Annotation	Gomisin R
Peak:m/z	Relative Intensity
53.03931	3.6
67.05490	2.9
69.03398	4.6
69.64101	18.2
71.77707	2.3
76.55655	2.5
79.05487	14.7
81.03386	2.8
81.07035	5.5
84.08102	5.4
91.05463	6.5
92.08058	2.4
93.07020	3.4
95.04929	5.1
95.08595	4.1
103.20600	2.9
105.07023	3.1
107.04927	30.8
109.06451	3.2
115.05469	3.7
117.06994	3.7
121.06530	2.7
124.05183	4.7
125.92081	2.5
127.03843	6.2
128.06155	4.3
129.06961	7.0
131.08542	11.9
133.06441	3.2
133.10065	2.8
137.05956	4.0
137.09515	2.8
141.06967	5.9
144.05690	4.2
145.06464	5.1
152.04663	5.3
156.05650	14.5
157.06435	2.9
159.08017	16.9
161.05922	2.9
165.09142	4.0
167.07002	100.0
167.08421	5.5
173.05943	3.6
175.07475	3.6
177.05434	4.6
181.06354	2.6
182.07240	2.6
184.05110	3.7
186.06686	3.4
187.07491	8.7
190.06171	3.3
191.08545	2.9
195.06516	4.8
202.06218	3.6
202.80510	2.9
205.06711	4.3
205.08524	18.0
207.06496	7.5
208.05182	18.3
209.07864	3.7
217.08525	45.1
218.07231	5.0
219.07991	6.8
219.10072	5.9
220.08742	3.9
221.05939	4.1
225.05525	3.0
229.08574	4.1
231.08020	6.9
231.10178	4.1
232.08850	2.9
233.05814	3.3
233.09738	3.4
234.06819	2.8
235.07466	2.6
236.04694	8.3
246.06718	3.4
247.07536	13.2
247.09714	21.2
248.08220	14.4
249.05464	5.0
249.08882	3.5
254.05626	10.5
255.06366	2.8
261.08984	3.6
262.09909	4.7
263.10654	10.8
264.07813	8.5
265.08560	6.0
267.06476	4.9
269.08002	23.6
271.09534	6.6
272.06747	3.5
275.06937	9.2
276.07773	7.1
277.08524	6.9
279.10013	9.5
281.08023	3.3
282.08881	10.8
287.09128	3.4
290.09265	4.2
291.10092	15.8
292.07416	3.8
293.08011	10.1
299.09122	7.4
307.09543	13.0
308.10355	8.9
309.07526	2.9
310.08298	7.4
311.09116	2.8
311.12598	5.3
315.08542	73.6
316.08932	4.6
318.08865	3.1
319.09518	10.5
321.07513	3.9
323.12744	13.1
324.09808	4.9
330.07135	5.4
330.10913	89.6
331.11655	16.9
336.09894	6.0
337.10526	7.2
339.12360	15.4
341.14087	2.8
343.11667	17.0
351.12152	22.6
352.12860	7.6
353.10150	8.7
356.12537	3.6
358.14557	2.7
368.12381	11.7
369.13156	7.0
371.14713	6.2
383.14804	87.6
384.15179	4.9
401.15942	36.5
402.16360	2.7
407.85352	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	401.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28173	0.7
55.01839	0.8
55.05489	1.2
56.05014	1.6
67.05489	1.0
69.03422	1.2
69.07052	1.2
70.06582	12.9
71.04989	0.9
71.52592	0.8
72.08149	8.2
79.05469	2.5
81.07010	1.2
81.80342	0.7
84.04487	1.9
84.08132	4.2
85.02872	2.5
86.09216	0.8
86.09693	9.5
88.02206	8.3
89.02530	0.7
89.03896	9.4
91.05460	2.3
93.07034	1.5
95.04959	1.6
97.02872	0.9
99.04412	0.9
103.03950	0.8
103.05476	1.0
105.03405	0.7
105.06971	1.1
106.04151	1.2
107.04919	2.6
107.08557	1.4
109.02876	0.6
109.06470	1.0
110.07127	1.1
111.04416	0.9
112.08698	1.1
116.07076	2.7
117.03360	21.3
117.43388	0.7
118.03694	1.0
119.08550	1.4
120.08069	1.4
121.06493	0.9
124.87955	0.7
127.03884	0.7
129.10217	1.5
130.08578	0.8
131.04909	1.5
131.08540	0.9
133.10129	0.8
134.02678	3.3
134.03618	2.1
135.04417	1.7
135.08054	1.3
136.07542	1.6
137.06012	1.3
137.09631	1.2
141.07008	0.8
145.02821	50.0
146.03191	4.3
147.04408	1.9
149.05963	6.6
151.03860	2.6
153.05371	0.9
155.08226	0.7
156.05646	0.9
161.09587	0.7
163.03889	0.7
167.06984	5.5
177.05438	100.0
178.05777	7.0
181.04921	2.1
183.14954	0.9
186.05458	1.8
203.13939	1.7
217.08487	1.8
219.08159	1.1
231.08081	1.0
239.12781	1.2
240.10527	3.4
247.07364	1.0
247.09715	1.1
250.09496	0.7
260.09167	1.3
262.28558	0.6
263.10864	0.9
264.07819	1.0
279.10236	1.0
286.17502	0.8
290.09329	0.7
291.10025	1.4
293.07895	1.6
307.09766	0.8
315.08636	2.1
323.12717	1.0
327.01483	0.7
330.10995	4.0
331.11493	0.9
339.12195	1.8
351.12305	1.1
361.00253	0.7
368.12555	0.9
383.15198	11.5
401.16724	2.2
401.29001	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	401.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22932	0.6
55.01870	0.9
55.05470	0.8
58.35054	0.7
63.02337	0.7
67.05476	1.3
68.99773	0.9
69.03420	1.0
69.07053	1.4
70.06580	9.1
71.54955	1.5
72.08149	4.6
79.05476	1.1
81.03413	0.7
81.07024	1.9
84.04492	1.0
84.08138	4.1
85.02894	1.6
86.09679	5.2
88.02203	1.1
89.03905	9.9
91.05471	3.4
93.07022	1.3
94.06525	0.7
95.04965	1.2
95.08570	2.2
97.02847	1.5
99.00749	0.9
100.07619	0.7
103.05444	0.7
105.07016	1.1
106.04132	1.2
107.04903	1.6
107.08527	0.8
109.02835	1.2
109.06442	1.2
109.10125	1.2
110.07092	0.9
112.08688	0.9
116.07027	1.5
117.03354	22.1
118.03719	0.8
119.04907	1.4
120.01198	1.0
120.02004	0.8
120.38935	0.8
121.06488	1.7
123.04410	0.8
125.05937	0.7
129.10184	2.9
131.04881	0.8
133.06538	0.9
134.03603	2.5
135.04367	2.7
135.07930	0.8
136.07544	1.2
137.05902	1.3
137.09552	1.6
145.02820	53.8
146.03168	1.7
147.04372	2.9
147.08028	0.7
149.05945	10.0
151.03851	1.6
153.05406	1.4
154.08586	0.7
163.03926	1.7
167.07031	4.1
167.08252	0.7
175.07568	1.2
177.05435	100.0
178.05782	4.7
181.04887	3.9
185.27562	0.6
186.05489	1.3
209.04422	2.5
221.11693	0.9
221.15271	0.9
225.11182	5.6
229.12099	0.8
232.22958	0.7
248.08247	1.4
260.08951	0.9
315.08566	1.2
329.64526	0.7
330.10977	0.8
383.14999	2.7
401.17139	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	400.217
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73468	1.1
53.03928	2.9
55.01853	5.2
55.05490	2.3
56.05009	1.3
57.03426	28.6
57.11190	1.0
57.73380	1.1
59.04980	4.0
60.04517	1.6
61.02916	17.1
61.86779	1.2
67.05491	2.8
69.03418	30.8
69.07048	2.5
70.06582	23.7
71.01338	3.8
71.04973	5.0
71.06896	2.3
71.07476	2.8
72.08150	6.5
73.02905	68.4
79.05471	4.0
81.03393	8.5
81.07033	4.0
83.04970	2.4
83.08578	1.7
84.04470	1.8
84.08115	4.9
85.02892	100.0
86.09705	9.2
87.04446	7.7
89.06031	5.9
91.03944	6.0
91.05464	5.5
93.07009	3.7
95.04941	4.6
95.08572	2.8
96.04517	1.4
97.02876	51.3
97.06544	1.2
98.06033	1.4
99.04449	6.9
100.07590	2.3
100.11202	1.3
101.02381	1.7
101.05965	1.7
102.05486	1.9
103.03317	1.6
103.03922	9.1
105.07004	4.7
107.04939	2.0
107.08576	2.4
107.85936	1.1
109.02857	9.5
109.06499	2.3
109.10148	2.1
110.06013	1.5
110.07128	3.0
111.04454	1.6
112.07590	3.0
113.06024	1.5
114.05499	1.1
115.03910	34.2
117.03336	4.5
119.08527	2.3
120.08096	3.0
121.06452	1.4
121.10024	1.5
122.05970	2.0
123.04408	1.8
125.05957	1.6
127.03902	35.3
130.90477	1.3
131.06981	1.4
131.08530	2.2
133.04933	15.5
133.08598	2.6
133.10074	2.8
137.05948	3.5
137.09619	1.9
140.07051	2.2
141.06996	1.4
145.02960	9.6
145.04930	68.9
145.10023	1.6
147.04416	3.5
149.05901	3.7
150.07574	4.9
159.08035	2.2
162.07539	1.4
163.05995	34.4
163.07372	2.1
165.09074	1.5
167.07030	10.3
177.05449	20.1
187.07513	1.8
191.10675	1.4
199.05948	1.5
201.09206	1.8
205.08745	1.4
207.06479	1.4
211.15071	2.3
215.10579	1.5
217.08508	3.1
219.08099	1.5
219.10062	2.9
220.13245	2.0
223.06030	5.2
233.11694	1.8
238.08899	3.4
238.10916	2.1
238.14299	2.2
241.07028	5.7
247.07458	2.3
247.09682	2.5
248.08284	2.0
251.14919	8.9
259.07919	6.0
261.11279	1.8
279.10022	1.4
295.10202	5.4
307.09732	1.2
308.10391	1.4
315.08597	4.2
319.09586	1.5
330.10791	8.9
336.09830	1.6
343.11667	1.8
348.32208	1.4
351.12357	2.6
383.14835	13.0
388.04059	1.2
396.81854	1.2
400.14731	2.4
400.37286	1.3
401.15829	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	400.3779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	8.7
56.05022	0.5
57.07074	2.3
58.06579	1.6
66.00080	0.5
66.39804	0.4
67.05486	0.9
69.07061	6.0
69.33495	0.4
70.06579	12.4
71.08597	0.8
71.52745	0.4
71.53111	0.5
72.08135	0.7
74.06071	0.9
81.07034	1.4
83.08606	3.5
84.08144	0.6
85.10181	0.6
86.09708	0.8
87.04443	0.7
88.07614	27.1
91.05476	0.5
93.07033	0.5
95.08582	1.2
97.10164	1.0
102.09167	10.4
105.07011	0.8
109.06516	0.6
125.08492	0.4
132.10184	2.1
133.10057	0.7
146.11752	1.0
146.16159	0.5
150.11273	1.0
184.86224	0.5
205.10855	0.5
212.38974	0.4
214.58624	0.5
277.81787	0.5
281.93890	0.4
338.34103	30.5
339.34457	1.5
382.36661	2.2
400.37793	100.0
401.28439	0.7
401.38205	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	401.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49168	0.2
55.01848	0.4
55.05473	0.4
56.05010	0.3
58.99575	0.4
62.70791	0.3
64.71601	0.2
65.03931	0.9
67.05494	0.3
69.03406	0.5
69.47240	0.7
69.47662	0.9
70.06575	3.1
72.08142	1.1
73.02882	0.3
74.06052	0.2
76.02231	0.2
79.05477	0.3
79.25455	0.2
79.93362	0.2
81.03391	0.4
83.01292	0.2
84.04491	0.4
84.08134	1.3
85.02872	0.7
86.06018	0.2
86.09684	2.0
86.98994	0.2
88.01676	0.4
88.02200	7.3
89.03885	0.9
91.05464	7.9
92.05795	0.3
95.04943	0.4
95.27036	0.2
97.02864	0.3
98.20810	0.4
99.04416	0.4
100.07600	0.3
105.06971	0.3
107.04945	0.3
107.08560	0.2
110.07146	0.3
112.07580	0.3
112.08706	0.2
113.02341	0.3
115.08627	0.2
115.42675	0.2
116.07046	0.7
117.03318	1.0
119.04918	21.0
120.02056	0.3
120.05279	0.5
120.08085	0.6
121.02873	0.2
121.06502	0.2
122.02674	0.6
127.03909	0.6
129.10211	0.4
130.08612	0.3
133.02826	0.3
134.02686	4.8
135.02896	0.2
135.04369	0.4
137.05952	0.5
140.07040	0.3
141.01794	0.3
145.02835	2.3
147.04378	100.0
148.04698	2.5
148.20306	0.2
149.02289	0.6
149.05945	0.5
151.03873	0.7
153.05423	2.5
158.09248	0.3
163.03920	1.5
165.05431	0.3
167.07056	1.0
173.12849	0.3
174.12770	0.4
175.03824	0.4
175.13159	0.5
176.04181	0.3
177.01883	0.4
177.05432	5.1
177.06866	0.4
178.05838	0.4
181.04892	1.7
191.03430	0.5
193.04918	0.3
193.14136	0.4
194.02182	0.3
207.06476	0.4
209.04402	3.5
219.10321	0.3
224.16414	0.2
238.14340	0.7
239.14632	0.9
255.04622	3.2
268.06369	1.5
271.14404	0.2
280.06378	0.3
303.13672	0.5
305.06641	0.2
330.11285	0.3
337.05554	0.4
355.06909	0.3
383.14935	0.4
400.37314	0.2
401.08051	1.7
401.20386	0.3
401.25034	0.5
404.14667	0.2
416.08347	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34633	0.3
53.13709	0.3
55.05497	3.4
56.05017	1.4
70.06564	0.4
70.74426	1.0
72.98450	0.3
73.41923	0.3
74.02415	2.4
80.04980	0.4
81.53439	0.3
82.06564	17.7
83.06901	0.5
84.08125	1.6
85.02875	0.3
91.05465	0.3
97.02865	1.2
100.07592	14.6
102.05521	0.6
119.04931	0.4
128.07053	7.1
130.08618	1.4
136.06174	1.8
137.06544	0.5
138.05432	0.4
146.08089	100.0
147.04366	1.3
147.08398	1.0
177.05299	0.4
207.48213	0.3
229.15424	0.5
250.09366	0.7
251.09633	1.1
256.94315	0.3
283.02286	0.4
289.09253	0.3
383.03781	0.3
400.07739	0.4
401.06058	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.01854	2.2
55.05494	3.0
56.05015	1.7
56.30124	0.9
56.96547	3.8
57.03426	21.4
60.04513	1.4
61.02914	9.0
69.03065	1.7
69.03418	21.2
70.06579	25.4
71.01337	2.5
71.04987	14.9
71.54525	1.1
71.54918	1.0
72.08145	19.4
73.02907	50.4
74.06046	1.2
75.30772	1.0
79.05479	1.2
81.03400	2.7
81.07055	1.1
82.06592	1.1
83.04964	1.4
83.06090	8.7
83.59614	0.9
84.04491	5.7
84.08128	6.6
85.02888	40.2
86.09715	2.2
87.04446	2.8
88.02193	3.5
89.03893	2.7
89.06014	100.0
91.03938	2.3
91.05473	5.3
95.06103	1.0
97.02878	35.2
98.03214	1.5
98.97577	4.2
99.04422	1.8
100.07578	1.7
102.05522	2.5
103.03912	1.8
109.02854	4.1
110.07128	3.0
110.73011	0.9
110.97517	1.1
115.03912	29.1
115.08629	1.3
116.07039	1.4
116.98584	3.3
117.03358	5.8
119.04914	7.9
121.02840	1.3
123.04417	1.2
126.64404	1.0
127.03897	13.3
128.98573	2.4
129.05582	1.2
129.06541	1.0
129.10210	1.6
130.08554	2.1
133.04947	10.1
133.06459	1.2
134.02734	2.2
134.03648	1.1
134.99576	1.5
135.04433	2.4
136.06163	25.1
136.07590	1.9
137.05931	1.2
138.05455	1.2
145.02827	14.7
145.04904	16.3
146.03137	1.3
146.08150	2.4
146.99637	2.1
147.03201	1.8
147.04378	30.9
147.05505	2.1
148.04723	2.1
149.05971	2.7
151.03905	1.0
153.05441	3.7
155.06943	1.7
155.08116	1.4
157.04990	1.2
163.03900	4.7
163.05963	7.0
167.07063	2.7
169.13341	1.8
175.03946	1.3
175.10757	9.1
176.04391	1.4
177.05432	24.4
178.05804	2.2
180.11205	5.0
181.04916	2.9
181.09683	5.3
181.91159	0.9
185.07996	3.7
189.03899	1.2
202.06003	1.0
207.06412	1.5
208.06702	1.6
208.10814	7.4
209.04410	3.2
209.09128	2.6
215.09149	1.9
219.01817	2.5
223.05927	3.2
232.08139	1.1
233.10234	2.0
237.00659	1.0
237.02663	4.7
238.10854	1.5
241.06926	3.1
241.97661	1.0
250.09358	2.6
251.11548	5.4
259.08078	3.7
268.10471	4.9
280.16495	2.2
280.48105	1.0
295.10223	3.1
299.09958	1.2
314.27939	1.5
359.06793	1.5
382.20801	9.9
383.19550	1.2
400.14984	5.3
401.07401	1.3
409.07306	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.3461
Annotation	Lauroyl peroxide
Peak:m/z	Relative Intensity
55.05502	30.5
57.03429	11.2
57.07066	29.6
67.05496	14.8
69.07056	42.4
70.81536	1.3
71.05008	1.5
71.08617	21.3
72.04507	5.1
75.04465	1.6
79.05474	8.0
81.07038	21.5
83.04941	2.3
83.08601	29.0
85.06525	2.4
85.10172	10.3
88.02216	5.6
91.05460	2.2
93.07028	11.0
95.08588	23.6
97.06548	7.8
97.10156	20.6
99.11738	1.7
100.73624	1.5
101.06050	1.4
105.07035	3.9
107.08561	9.5
109.10140	9.1
111.08080	5.5
111.11728	3.3
119.08527	2.4
121.10126	12.8
123.11719	3.9
125.09642	4.4
125.13290	2.3
133.10133	2.4
135.11635	7.5
139.11203	4.9
139.14856	1.4
149.13254	5.7
153.12718	3.6
159.11736	1.4
161.13284	1.3
163.14815	4.8
167.14348	2.1
177.16432	2.6
181.15858	2.8
191.17908	1.6
195.17450	3.1
205.06404	1.5
223.20595	1.8
229.41953	1.5
289.29010	5.1
307.29846	10.8
341.24240	1.5
381.33664	13.4
399.30817	7.8
399.34799	100.0
400.35056	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	400.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55362	0.3
55.05494	0.4
56.05024	0.7
57.03407	0.4
57.07060	0.2
59.04989	0.3
60.04509	0.3
61.01136	0.6
63.02376	0.5
67.05480	0.4
69.03432	0.3
69.07053	0.4
69.70537	1.7
70.06583	3.8
72.08152	2.5
73.02917	0.5
78.04700	0.3
79.05485	0.3
81.03407	0.5
81.07058	0.6
82.06602	0.2
84.04491	0.5
84.08121	2.0
85.02897	1.1
86.09681	1.8
87.04452	0.3
88.02201	47.1
89.03905	3.9
91.05460	1.4
93.07020	0.3
95.04925	0.3
96.86224	0.3
97.02866	0.4
97.06535	0.3
98.09684	0.5
100.07607	0.7
101.97211	0.2
103.05465	0.5
104.10749	0.3
106.04139	0.5
107.04949	0.4
107.08612	0.3
109.02864	0.3
109.06509	0.3
110.07174	0.6
112.11207	0.3
116.07078	0.3
117.03364	14.0
118.03679	0.4
118.08627	0.2
119.04932	0.5
120.08073	1.2
121.06478	0.3
122.06022	0.3
124.07546	0.4
129.10222	0.6
130.08594	0.3
130.40637	0.2
131.04968	0.4
134.02693	29.3
134.05998	1.0
135.04395	0.8
136.06200	0.3
136.07570	0.8
137.05954	0.4
138.09091	0.4
145.02820	39.4
146.03178	1.1
147.04344	1.2
149.05972	5.0
163.03835	0.4
163.06041	0.3
164.06987	0.4
165.14160	0.2
166.08607	0.3
167.07011	0.6
169.09787	0.2
176.02255	0.3
177.05440	100.0
178.05789	2.2
183.14911	0.3
186.05481	0.8
221.11765	0.3
221.68814	0.3
262.14331	0.5
283.14572	0.3
296.34354	0.3
299.09589	0.3
299.57758	0.2
315.08578	0.4
354.14471	0.3
382.14801	0.7
383.15442	0.4
400.10461	0.5
400.15802	0.8
413.43951	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08691	1.7
54.35160	1.8
55.01863	20.4
55.05504	9.9
56.05024	2.9
57.03432	9.2
59.04992	42.1
61.02903	2.1
65.03957	1.7
67.05482	7.2
69.03409	7.9
69.07060	5.2
70.06203	3.1
70.06583	61.6
70.50205	6.2
71.04982	5.2
71.06921	2.3
72.08143	14.2
72.89476	1.9
73.02908	92.3
73.06510	2.2
74.02409	2.2
74.03240	1.7
74.06075	2.3
79.05486	8.8
81.03381	4.3
81.07046	8.3
83.04971	10.3
84.04499	5.5
84.08144	10.6
84.32793	1.9
85.02898	14.0
85.06525	2.7
86.06040	9.4
86.09695	17.1
87.04455	34.8
87.10005	1.7
88.02207	3.0
88.03970	3.5
89.06014	44.0
91.03944	2.4
91.05477	13.7
93.07034	11.5
94.07403	1.6
95.04939	10.3
95.08591	5.2
97.02882	5.2
97.06512	3.2
98.06071	3.3
98.09673	3.4
99.04441	100.0
100.07580	3.7
101.05997	9.2
102.05534	1.9
103.03931	95.1
103.07571	30.6
105.07019	7.9
106.04166	2.2
107.04927	13.9
107.07053	4.1
107.08575	6.3
108.50177	1.8
109.02867	2.1
109.06487	5.6
109.10136	6.2
110.06026	2.4
110.07159	5.1
111.04480	2.3
111.08095	2.3
112.07542	2.4
113.05993	26.6
114.05532	2.1
116.06299	2.1
116.07074	3.6
117.03388	3.2
117.05476	28.1
117.07005	3.5
119.04940	3.1
119.07011	2.0
119.08555	5.6
120.08077	6.5
121.02882	2.2
121.06452	5.6
121.08609	23.8
121.10115	7.1
122.02710	2.3
122.05986	3.7
122.09656	2.6
122.10464	2.9
123.04366	3.7
123.08009	2.2
123.44009	1.9
124.07577	3.1
125.05984	4.1
127.03886	4.2
128.06180	2.6
129.06990	4.2
129.10260	3.7
130.04997	2.0
130.08629	3.4
131.04951	3.1
131.07022	34.7
131.08572	6.3
133.08588	30.1
133.10150	4.8
134.08920	2.1
135.08073	2.4
136.07500	3.9
137.02325	13.4
137.05949	8.7
137.09622	2.2
140.06985	3.5
141.06978	3.2
143.07042	2.2
145.02863	8.7
145.06435	4.9
145.10060	3.1
146.06010	2.3
147.04419	8.9
147.06496	13.3
147.10141	5.0
149.02316	3.6
149.05945	7.5
149.09601	7.5
151.03848	3.1
153.05421	3.2
156.05650	4.4
157.06451	3.1
157.08601	14.5
159.07999	5.8
159.11632	3.5
161.05923	4.2
161.08095	4.0
161.09538	3.2
163.03902	3.0
163.07533	2.4
163.09563	4.7
163.11084	2.0
164.06978	3.8
167.07021	32.4
171.11435	2.2
173.05966	3.0
175.03877	2.6
175.09644	15.6
177.05463	33.9
177.11218	5.0
177.12650	2.6
181.04939	3.0
181.08633	2.2
183.06488	2.1
187.07513	5.5
189.05409	2.1
191.07007	4.5
191.08966	3.8
191.10667	3.6
191.12772	3.4
201.09044	2.9
203.06870	3.4
205.08636	3.0
205.10590	3.9
207.06516	6.0
207.10399	2.3
207.12233	33.0
208.05167	3.5
209.08067	2.8
215.10640	2.0
217.08546	11.5
218.07195	3.0
219.08144	7.8
219.10188	3.9
219.12212	4.2
220.08664	2.8
221.05962	2.6
229.08609	3.1
231.10150	3.2
233.06131	2.0
233.09648	2.5
234.06555	2.3
234.11186	2.3
235.07452	2.1
235.11667	17.1
238.14232	1.9
238.18013	3.1
247.07509	6.0
247.09702	7.8
248.08388	4.1
251.06956	1.9
253.12810	26.5
254.13145	2.0
259.07428	3.5
261.08936	2.4
262.09778	2.5
262.14355	2.8
263.06918	2.6
263.10846	2.8
263.14874	4.1
264.07748	5.3
265.08633	3.0
267.06424	2.4
268.10843	2.2
269.08072	4.2
271.09705	2.9
275.07129	3.2
276.07913	3.6
277.08514	2.6
279.10049	5.0
279.14404	2.0
281.08060	2.5
282.08759	3.0
290.09152	2.2
291.10150	6.4
293.07993	4.3
293.16022	2.7
307.09625	6.6
307.13943	3.3
307.17456	7.8
308.10291	4.3
311.12936	2.2
311.16913	2.5
315.04861	5.0
315.08588	16.1
319.09674	4.1
319.17331	3.5
322.12091	2.5
323.12717	4.0
325.18451	2.8
330.10907	16.9
331.11624	3.5
334.87161	2.0
336.09705	3.3
337.10446	4.4
337.18564	39.0
338.18915	2.9
339.08490	6.2
339.12424	5.2
343.11664	7.9
351.08560	2.1
351.12082	10.0
353.10175	6.7
356.12457	3.1
368.12405	7.0
368.62366	2.0
371.14529	4.3
383.10303	2.6
383.14813	48.5
383.19141	5.4
400.13165	25.9
400.17734	9.7
400.22885	3.8
400.37140	2.9
401.16568	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	399.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.8
53.84039	1.3
55.01857	2.3
55.05490	2.2
56.05024	2.4
56.96524	1.3
57.03426	15.8
61.02909	5.9
67.05499	1.7
69.03421	22.3
69.07057	31.9
70.06573	6.1
70.81403	3.7
71.08585	1.7
72.08134	3.6
73.02907	25.5
79.05498	1.5
81.03388	5.3
81.07046	1.3
83.04937	2.6
84.08112	5.7
85.02893	84.2
86.09734	1.7
87.04435	1.4
87.08092	27.2
88.02216	2.4
89.03904	5.5
91.03947	3.9
91.05468	7.5
95.04935	2.1
97.02879	37.7
99.04415	4.9
100.07570	4.8
102.05549	2.1
103.03900	2.3
103.05551	1.4
105.07035	7.6
109.02885	6.8
110.07152	1.5
112.11214	2.1
115.03931	16.2
115.05448	2.9
117.03361	23.3
119.04904	10.2
120.08114	2.0
123.89893	1.6
127.03894	21.1
129.05405	2.3
131.04913	3.1
133.04900	5.8
133.06482	4.9
136.06161	4.7
140.91164	1.5
145.02843	55.5
145.04919	29.8
147.04384	16.3
148.04713	4.3
149.05984	7.6
151.03827	4.0
161.05978	10.3
163.03841	2.7
163.05997	14.8
169.13348	1.6
175.03867	9.6
177.05446	100.0
178.05798	3.6
183.10086	7.4
193.08575	5.9
195.45580	1.5
201.11053	1.5
207.06503	19.4
210.10379	1.5
231.12250	1.8
238.14366	2.7
241.06956	1.7
250.09360	4.6
259.08118	1.7
261.07608	1.9
267.14380	7.7
358.66077	1.6
384.79019	1.5
399.23444	2.7
399.36929	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	399.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.6
53.42524	1.7
54.92849	1.7
55.01857	3.0
56.05032	4.4
56.96560	2.4
57.03430	10.3
61.01139	2.0
61.02930	4.2
61.71481	1.7
62.38623	1.7
66.35532	1.7
69.03423	14.1
69.07059	100.0
70.06591	13.4
71.01319	2.2
71.04975	5.7
71.08630	2.7
71.51566	4.3
72.08153	3.0
73.02903	15.0
74.06075	3.7
77.36903	1.5
81.03432	3.5
81.07050	1.6
83.04975	2.2
83.36857	1.5
84.04457	2.3
84.08137	9.2
85.02896	27.2
86.09695	3.0
87.08101	30.5
88.02212	5.7
89.03915	3.3
91.05460	16.4
93.07027	2.5
97.02876	34.6
98.06051	1.9
99.04452	2.4
99.14212	1.7
100.07617	4.5
101.05984	2.4
102.05532	4.8
103.03927	3.3
105.09130	50.7
107.04953	3.3
109.02861	3.4
110.07155	5.9
111.04419	2.8
115.03921	6.6
116.98629	1.8
117.03327	8.5
119.04919	23.2
123.04404	2.2
124.91422	1.8
125.02298	9.9
127.03888	6.6
129.05487	4.1
131.04991	1.8
133.04936	3.0
134.02660	1.8
135.04347	2.5
136.06172	18.9
145.02838	19.8
145.04897	1.9
147.04398	41.4
147.06503	2.9
147.07848	2.3
148.04706	3.8
149.05960	3.7
151.03896	9.4
157.08643	2.3
161.06091	2.5
162.09093	3.1
163.03906	2.6
163.06174	2.1
165.05542	2.0
167.06909	2.3
171.38652	1.9
175.03906	16.5
177.05453	29.7
178.05855	2.5
206.08136	2.2
207.06494	34.0
219.06464	4.4
237.02672	2.1
250.09314	21.1
298.09534	2.1
322.66763	2.0
377.30276	1.9
399.09326	3.6
399.35742	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	399.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.8
57.07049	1.2
67.05480	1.2
69.07035	1.4
69.50725	0.9
69.51128	3.6
71.08618	0.7
79.05444	0.7
81.07021	2.1
83.08601	1.1
85.06520	0.7
85.10158	0.6
87.04440	0.9
93.07029	0.8
95.08569	1.5
103.13987	0.5
105.07012	0.7
107.08540	0.8
109.10136	1.0
119.08548	0.7
161.13179	0.8
175.14722	0.6
229.19536	0.5
399.30734	100.0
400.30878	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	399.325
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56753	2.7
55.05503	16.1
57.07064	6.8
59.04968	4.4
63.04046	2.5
64.23019	2.6
67.05486	23.7
69.07059	19.5
71.08631	5.6
71.55203	2.7
79.05473	12.9
81.07040	46.2
81.07510	4.4
83.04957	2.9
83.08595	9.0
85.06547	3.4
89.05960	3.3
91.05450	9.2
93.07030	35.8
93.54713	2.8
95.04938	3.9
95.08591	88.8
97.06486	4.4
98.73443	2.8
99.04430	4.8
101.05990	10.5
105.07013	27.5
107.08575	54.7
109.06426	2.9
109.10134	41.5
111.04418	3.9
119.08568	30.0
121.10120	51.8
123.11697	10.9
125.13091	2.9
129.05429	3.8
131.08578	6.5
133.10106	21.2
135.08025	6.0
135.11662	55.9
137.13141	3.5
145.10143	6.9
147.06487	3.4
147.11652	24.6
149.09615	4.3
149.13255	26.4
159.11636	8.8
161.13261	13.4
163.14783	10.8
173.13235	8.9
175.14793	10.3
177.12733	12.1
177.16386	4.0
181.12169	6.1
187.14752	2.9
189.16356	12.9
191.14330	6.8
191.17902	100.0
192.18463	3.4
195.13742	17.0
199.07361	2.8
201.16386	3.4
203.17915	17.4
205.19502	7.4
207.13768	8.5
209.15292	22.6
217.19472	20.4
221.15250	3.1
225.16245	2.9
289.21347	3.5
381.31442	3.5
399.27072	10.9
399.32468	58.5
400.32922	4.2
400.37619	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	399.128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02342	0.4
53.03942	0.4
55.01846	0.6
55.05496	0.7
57.03416	0.7
63.22540	0.4
65.91826	0.3
67.05485	0.6
69.03402	1.2
69.07034	0.4
69.32928	3.0
69.99067	0.3
70.06572	2.6
71.08607	0.6
71.71143	0.3
72.08126	0.6
73.02901	1.1
77.03897	0.5
79.05481	0.7
81.03419	0.5
81.07018	1.2
84.08125	1.8
85.02893	3.1
85.06490	0.5
86.09686	2.5
88.03992	0.4
91.05467	0.9
93.07018	1.1
95.01308	2.2
95.04936	0.8
95.08594	0.8
97.02867	1.0
99.68418	0.3
100.07590	0.8
102.05530	0.4
103.03938	0.5
103.05452	16.8
105.07006	0.7
107.04942	0.6
107.08582	0.7
109.06520	0.3
109.10133	1.4
112.11221	0.3
113.02370	0.7
119.08549	0.7
121.10135	0.8
123.11650	0.5
124.07589	0.4
127.03909	0.6
127.08684	0.4
129.99586	0.5
130.05011	0.3
131.04904	100.0
132.05258	1.7
133.10063	0.6
135.08031	0.5
135.11668	0.8
136.06123	0.7
141.01808	3.8
145.10152	0.6
149.09622	0.7
151.07526	0.6
155.08159	0.4
157.06348	0.3
157.07591	0.4
159.02902	0.5
159.11708	0.5
170.06012	0.4
187.01767	0.4
187.11053	0.4
189.08957	0.4
189.12509	0.3
205.08542	2.0
219.17393	1.3
223.09631	6.5
223.11578	0.2
229.15527	1.0
233.02277	1.3
250.09290	0.5
307.08112	1.2
339.13391	1.0
399.15424	3.3
399.36749	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
55.01859	1.3
55.05513	1.0
57.03426	6.7
61.02917	1.1
65.03922	0.5
67.05501	1.0
68.84113	0.5
69.03402	3.1
69.67473	3.3
69.99350	0.5
70.06586	2.9
71.01339	5.7
72.08133	0.8
73.02901	9.2
75.04447	2.5
77.03888	0.6
79.05472	10.6
81.03394	1.3
81.07049	3.0
82.63302	0.4
83.01347	0.6
84.08147	0.9
85.02888	13.2
86.09687	0.6
87.04471	0.8
89.06018	1.5
91.05458	9.5
93.05489	2.7
93.07024	42.0
94.07341	0.8
95.01295	2.8
95.04961	3.5
95.08571	2.0
97.02879	2.9
99.00790	1.8
99.04459	0.6
100.07597	0.5
101.02383	3.2
103.03923	3.2
103.05465	1.2
105.07008	14.4
106.07803	0.8
107.04907	1.0
107.08560	4.3
109.06503	0.9
111.08060	0.6
113.02338	5.4
116.06229	1.0
117.06982	0.8
119.08553	7.7
121.06533	2.5
121.10118	100.0
122.10429	2.3
123.08059	3.3
125.05914	0.6
129.07021	0.9
130.06448	0.6
131.03394	3.2
131.07025	0.7
131.08531	5.8
132.08041	0.8
133.07613	1.0
133.08559	0.8
133.10109	2.1
135.95258	0.5
136.06158	0.8
139.11165	0.7
141.01805	6.3
143.08496	0.9
145.10115	2.0
147.08012	1.2
149.09589	49.5
150.09947	1.3
153.05501	0.6
157.10149	0.6
159.02827	2.1
159.07973	0.5
159.09193	0.9
159.11658	1.3
161.09657	0.7
163.11188	0.6
167.06943	0.5
167.10637	4.2
169.10097	0.8
170.06020	0.8
173.09541	0.4
176.78789	0.4
179.08563	0.4
188.07037	0.7
197.09608	0.7
199.11131	0.7
201.16212	0.5
205.82097	0.4
209.83534	0.5
213.12376	0.9
214.84482	0.6
215.05434	0.6
215.10571	0.5
221.11659	0.6
223.13254	4.5
241.14308	0.6
250.09364	0.8
261.11218	0.8
279.12280	1.8
307.11746	3.3
381.15439	1.6
399.16406	16.1
400.16949	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.3
56.05016	1.8
57.06822	0.7
57.07068	9.2
67.05482	2.7
68.05035	1.4
69.07056	1.1
69.60406	4.2
70.06580	40.5
71.08626	5.8
81.07026	3.5
83.08589	1.8
85.09338	0.6
85.10165	2.8
86.06052	7.5
88.07616	0.9
95.08598	4.7
96.08138	1.3
98.06059	0.8
98.20729	0.9
109.10130	2.6
114.05509	21.3
114.09143	24.0
121.10107	0.8
142.08607	50.8
157.24171	0.7
160.09669	73.0
161.09927	1.0
277.49387	0.6
297.27826	8.4
315.10394	0.6
398.32581	100.0
399.32785	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	399.0919
Annotation	O-Sinapoylglucarolactone
Peak:m/z	Relative Intensity
53.03913	0.5
55.01863	4.5
55.05505	1.2
56.05028	0.8
57.03419	2.3
57.07090	0.6
58.06588	0.7
59.04968	0.6
61.02915	0.6
65.03920	2.8
67.05495	0.9
69.03418	5.2
69.07049	2.3
69.80047	0.6
70.06578	7.6
71.08617	1.5
71.52494	1.0
71.73835	0.6
72.08147	3.9
73.02901	4.4
77.03921	1.3
79.05470	1.4
79.66579	0.5
81.03397	1.4
81.07043	0.5
83.01328	3.1
83.04987	0.9
83.06091	0.6
84.04494	1.6
84.08125	6.5
85.02888	11.3
86.09681	2.1
87.08096	6.0
88.02195	1.9
88.03998	0.5
89.03900	2.8
89.12175	0.5
91.03967	0.7
91.05463	28.5
92.05793	0.7
93.07045	1.4
94.84912	0.6
95.01321	2.8
95.04960	2.3
95.08615	1.0
97.02872	7.3
98.09669	1.9
99.04435	0.9
100.07592	4.8
101.02364	3.6
101.05997	0.9
102.05527	1.7
102.24879	0.6
103.05472	1.9
105.04489	0.7
105.07030	0.8
107.04940	1.1
107.08565	0.8
109.02834	1.5
109.10078	0.6
110.07156	1.6
111.04407	1.4
112.07594	0.7
112.11221	1.6
113.02353	1.3
115.03891	1.2
116.07082	0.8
117.03365	5.9
119.04922	42.0
119.08549	0.6
120.05293	1.1
121.06480	0.7
121.10096	0.7
122.03658	0.7
122.05946	0.7
122.99422	0.6
123.04405	0.9
124.07542	1.7
125.05954	0.6
126.36926	0.5
126.99107	0.5
127.03875	3.3
129.01839	1.4
129.03365	0.7
129.05533	1.2
129.10207	0.9
130.08612	1.2
131.04893	2.7
132.02060	1.5
133.02805	0.9
134.02721	0.7
135.04391	1.1
136.06172	3.6
136.07487	1.0
137.05905	1.5
138.09097	1.6
139.09485	1.5
145.02821	17.4
145.04865	3.1
145.10129	0.8
146.03426	0.6
147.04385	40.3
148.04765	1.9
149.02335	1.5
149.05995	1.6
151.03883	24.5
151.04964	1.4
152.04269	0.9
152.07112	1.3
156.10217	1.7
157.04010	2.7
157.10545	1.9
161.05965	1.1
163.03938	0.9
163.06004	1.3
163.07491	1.1
164.04602	1.3
167.07085	1.0
169.13344	1.1
173.05919	0.9
175.03879	58.6
176.04283	1.5
177.05441	30.2
178.05792	1.6
179.06982	2.6
182.18863	0.6
189.05557	0.8
192.04120	2.2
193.04924	1.6
194.08102	1.6
199.07738	0.6
203.07124	0.7
207.06494	100.0
208.06821	3.8
212.09184	0.9
219.06468	1.2
219.11224	1.7
225.07483	0.7
232.39526	0.6
237.08517	1.0
237.12285	2.0
238.14374	0.7
250.09291	4.1
260.14700	0.7
267.14374	1.3
278.15723	0.7
312.26480	0.7
340.29492	0.9
351.14102	0.8
353.08514	1.0
359.60175	0.6
381.64572	0.6
382.10782	0.6
398.35849	0.7
399.09088	33.1
399.17117	1.2
399.22394	0.8
399.36819	5.0
400.09561	1.5
416.56531	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3094
Annotation	delta-Tocotrienol
Peak:m/z	Relative Intensity
50.82533	0.9
51.48418	0.9
53.03930	2.5
55.05507	11.8
57.07048	3.9
59.04983	1.4
65.03918	1.5
67.05496	16.2
69.07053	12.7
69.34679	8.6
71.04976	2.4
71.08600	1.4
77.03857	1.1
79.05478	15.2
81.07043	65.7
82.07382	1.2
83.04975	2.2
83.08610	6.0
85.06532	17.5
87.04428	1.7
91.05470	9.6
93.07027	31.5
95.04956	1.9
95.08591	42.0
97.03809	1.0
97.06507	2.3
97.10156	4.8
98.21532	1.7
99.04433	11.4
101.05990	4.4
103.52454	0.9
105.06302	1.6
105.07016	35.3
107.08581	48.5
109.06506	7.7
109.10144	21.5
111.08083	1.5
117.06974	3.4
119.08564	43.1
121.10123	33.2
123.08057	2.1
123.11691	15.0
127.07544	9.8
129.06964	2.3
131.08551	15.2
133.10118	30.0
135.08080	1.2
135.11678	16.5
137.09593	1.5
137.13261	2.5
141.09032	1.7
141.36235	1.0
142.07838	2.4
143.08513	7.2
144.09312	2.5
145.10114	24.2
147.11673	20.1
149.09595	4.5
149.13243	18.0
151.11143	1.4
155.08559	1.4
156.09393	2.0
157.10115	15.0
158.10875	3.0
159.11667	32.9
160.12389	1.3
161.09644	1.1
161.13228	17.4
163.11116	2.2
163.14798	15.0
165.09111	1.2
167.10692	3.6
169.10118	1.2
171.11659	11.7
173.13234	20.7
175.11131	3.3
175.14853	9.7
177.12669	1.5
177.16345	3.6
181.12206	2.9
183.11789	1.7
185.13214	6.7
187.11157	1.1
187.14790	21.7
189.12776	2.0
189.16362	18.0
191.17931	6.6
193.12209	2.9
195.13788	3.4
197.13269	2.1
199.14809	8.8
201.16367	7.8
203.17902	7.0
205.12259	2.0
207.13788	3.0
209.13063	1.2
209.15395	1.5
211.14813	2.1
213.16350	16.8
214.17017	1.1
215.14375	2.0
215.17917	11.1
217.19499	3.7
219.13780	1.8
219.17340	1.2
221.15475	1.2
225.16426	1.3
227.17903	19.7
228.18454	1.7
229.19487	3.4
233.15353	3.8
235.16891	4.0
241.19479	4.4
243.21002	2.3
247.16914	3.1
249.18436	1.3
253.19470	1.1
255.21060	6.0
257.22610	5.6
258.22980	1.1
261.18372	1.9
269.22610	6.8
271.24142	2.5
283.24222	11.8
287.19980	3.1
289.21628	1.6
297.25604	1.5
301.21533	3.5
315.23160	2.5
316.23108	1.0
323.23743	1.7
327.23236	1.9
379.30032	4.2
397.30963	100.0
398.31296	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	396.201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.9
63.18171	0.3
64.49850	0.4
65.73386	0.3
67.05489	0.5
69.03423	0.5
69.07062	0.5
69.77275	0.4
69.77680	1.5
70.06575	0.4
79.05467	0.7
81.07040	0.7
82.06539	0.9
83.04966	0.3
84.08097	0.9
85.02905	0.7
86.09686	0.4
91.05456	0.9
93.07026	0.7
95.04927	0.4
100.07609	0.6
105.07020	1.3
107.08556	0.7
108.22548	0.3
109.02935	0.3
109.06438	0.4
110.06020	2.8
115.05417	0.4
117.06986	0.4
119.08562	1.2
120.08122	0.4
121.10149	0.4
122.05984	0.4
124.07610	0.6
127.03905	0.3
127.05342	0.3
128.07059	0.6
129.06963	0.3
131.07283	0.8
131.08527	1.2
132.08029	0.7
133.10123	0.5
134.09564	0.6
136.07550	0.4
137.05904	0.6
141.06860	0.3
143.08539	1.4
144.08040	3.2
144.68631	0.3
145.08914	0.4
145.10106	1.1
146.05998	0.5
146.09578	0.8
147.06743	0.3
147.07947	0.3
148.07506	0.8
155.08569	0.4
156.08141	0.4
156.09329	1.0
157.09955	0.4
158.09627	4.2
159.10425	3.5
159.11676	0.5
160.07533	2.8
160.11182	2.3
161.08392	0.6
161.09506	0.4
162.09082	1.6
163.11021	0.3
164.03391	0.3
171.11629	2.3
172.07542	4.9
172.11131	1.8
173.08174	0.4
173.09625	0.5
173.11981	1.8
173.13005	1.6
174.09097	2.7
174.12711	0.3
183.10464	0.6
186.09113	4.9
186.12756	0.4
187.09888	39.3
188.10660	5.4
188.12357	0.5
188.12672	0.5
188.14268	5.4
189.14572	0.4
198.12735	1.0
199.11136	1.1
200.10609	0.9
201.11453	3.9
216.13800	100.0
217.14149	3.5
234.14885	0.4
249.18269	0.3
361.15277	0.3
363.27621	0.3
396.20270	3.0
396.27484	0.3
397.16318	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	1.8
56.21651	0.7
57.07063	50.5
59.04988	14.8
69.07056	3.1
70.06566	1.1
70.82083	2.7
71.08614	100.0
72.08972	0.8
81.07048	1.0
83.08611	2.1
84.08160	0.9
85.10163	57.9
86.10497	1.0
87.04434	1.2
89.06010	45.7
95.04887	0.8
97.10153	1.8
100.07615	0.9
100.47966	0.8
103.07579	2.7
107.07043	2.1
111.11702	1.2
127.14826	10.3
128.15111	0.7
130.08623	0.9
131.07034	1.3
133.08577	20.2
134.37958	0.7
141.42871	0.7
145.20482	0.7
151.09665	1.5
165.53337	0.7
167.17926	1.0
169.84453	0.7
177.11176	26.2
185.18954	18.0
195.12241	21.1
219.29153	0.8
229.21649	2.2
235.15303	5.1
239.14828	13.9
249.92410	0.8
253.16553	2.8
325.51764	0.8
379.30472	22.4
379.35074	1.4
396.33524	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.4
55.01858	2.2
55.05502	45.2
57.03436	11.6
57.07053	3.6
59.04985	4.2
61.01137	2.6
67.05496	64.3
69.03413	4.0
69.07066	10.0
71.04599	2.4
71.04980	45.5
71.08608	2.6
71.53999	3.2
79.05048	2.8
79.05479	22.5
81.07042	72.9
83.04970	51.0
83.08614	6.5
84.08121	4.2
85.06514	2.6
91.05465	13.7
93.07030	31.8
95.04978	2.6
95.08591	66.5
97.10140	5.6
98.09698	2.2
99.04414	5.6
100.07605	7.2
101.06001	100.0
105.03711	3.2
105.07005	8.9
107.08587	21.1
109.09447	3.8
109.10143	40.0
111.11720	3.7
113.09626	2.5
113.55639	2.1
117.05463	5.1
119.07045	28.3
119.08567	8.9
121.10134	15.5
123.11687	23.5
131.08571	10.7
133.10098	8.7
135.11664	15.3
137.08066	4.2
137.13248	10.4
141.49416	2.0
145.10103	8.3
147.11639	8.3
149.09622	2.4
149.13217	7.9
151.14819	3.6
153.09090	2.7
159.11649	5.0
161.13226	6.0
163.14766	3.9
165.12668	3.4
167.76074	2.3
173.13248	7.3
175.37634	2.3
177.16333	4.2
179.14360	3.2
187.14771	6.6
195.10014	2.1
201.16438	3.1
243.20959	6.8
261.22119	36.6
263.23706	3.1
279.23129	63.9
321.51196	2.1
343.26285	2.9
379.28143	6.3
397.29507	16.6
397.35260	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.8
55.01867	2.4
55.05499	4.5
56.05013	2.7
56.20886	1.0
57.03419	3.0
57.98452	0.9
59.04983	3.1
60.04512	2.4
61.01147	1.1
61.02910	2.8
67.05492	2.8
68.05013	1.3
69.03422	12.0
69.07056	2.5
70.02934	3.2
70.06588	14.7
71.04972	3.4
71.08620	1.3
71.53135	1.4
72.04501	6.8
72.08150	10.8
73.02903	5.7
74.06057	1.7
79.05475	2.8
79.74764	1.0
81.03418	9.1
81.07042	8.9
82.06606	1.2
83.08605	4.1
84.04492	3.4
84.08128	9.2
85.02893	33.8
85.06535	1.3
86.06042	3.0
86.09700	8.5
87.00820	10.6
88.02174	2.1
88.03983	1.5
88.27691	1.0
90.05544	55.4
91.05440	4.7
93.07041	2.9
95.04955	2.4
95.08610	3.0
96.04474	3.2
97.02877	13.6
97.06511	1.2
98.02390	6.3
98.06015	1.1
98.09663	1.5
99.04456	8.2
99.08083	3.9
100.07587	1.9
102.05517	1.3
103.03912	6.9
103.05400	1.4
104.05303	2.4
105.01842	20.9
107.04939	1.3
107.08547	1.6
109.02862	10.9
109.06502	12.9
109.10154	1.5
110.05992	1.5
110.07153	2.4
111.04457	1.3
111.08094	1.4
112.07568	2.0
113.06015	5.4
113.09624	1.0
115.08745	1.2
116.03423	6.1
117.09146	1.9
119.04959	2.5
119.08553	3.4
120.08091	3.1
122.06049	1.2
124.07581	2.2
126.09088	0.9
127.03895	28.2
127.07516	1.9
128.04234	1.7
129.01846	1.9
129.10223	8.5
130.08615	3.2
131.07008	4.0
136.07579	9.8
137.05975	2.4
137.09612	1.6
138.09125	12.0
139.07570	1.5
140.07047	1.6
145.02835	1.6
145.04947	16.4
146.08102	2.2
147.04376	3.4
147.08038	3.8
152.07005	1.5
153.09120	1.2
154.08588	9.6
156.10229	2.5
159.02908	4.8
162.68144	1.0
163.03914	1.7
163.05977	2.1
174.07564	1.7
177.05420	2.7
180.10168	1.4
186.92918	1.0
187.05988	1.1
187.14394	1.3
188.12834	2.4
192.07642	1.6
196.08308	1.2
198.11220	20.1
199.09691	2.3
199.13239	1.6
208.09630	1.4
212.07042	1.4
213.03934	2.3
216.12242	14.8
217.10767	1.3
221.05550	4.7
229.11810	1.8
231.04880	9.1
234.13324	100.0
235.05975	2.8
235.08199	2.1
235.13693	2.6
242.10678	1.3
249.06062	4.2
249.16014	2.9
262.10110	1.2
275.13925	2.0
284.71786	1.3
343.10098	1.3
361.11932	0.9
362.12234	1.2
380.10834	6.4
396.15854	7.0
396.21262	2.0
397.14807	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	396.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	7.3
55.01859	10.4
55.05486	5.8
56.05020	6.8
57.03419	7.6
59.04989	2.4
60.04508	2.1
61.01131	5.8
61.02920	8.4
67.05485	4.2
68.05026	1.6
68.99766	2.3
69.03029	2.2
69.03418	39.2
69.04533	1.6
69.07055	4.4
69.73729	5.3
69.74138	3.9
70.02937	2.1
70.06577	23.4
70.35914	1.6
71.04984	7.9
71.08567	1.7
72.04500	2.1
72.08157	14.7
73.02907	11.9
74.06056	4.3
79.01849	1.3
79.05469	4.2
81.03402	29.4
81.07039	6.3
82.06572	2.7
83.08607	2.3
84.04471	4.1
84.08136	18.0
85.02892	100.0
85.06519	1.5
86.06041	5.6
86.09669	9.4
87.00812	39.8
88.02207	3.6
88.03986	2.2
90.05527	22.1
91.03938	2.7
91.05453	6.7
93.06973	2.0
95.04945	5.5
95.06075	2.1
95.08589	3.9
96.04463	3.8
96.08094	1.6
97.02283	2.9
97.02880	43.1
97.06503	2.7
98.09686	1.9
99.04430	18.1
99.08064	2.2
100.07594	7.3
102.05524	2.8
103.03893	5.0
104.05299	4.6
105.01850	71.5
105.07053	2.1
106.06559	2.0
107.08551	3.8
109.02856	35.3
109.06490	6.6
109.10157	2.0
110.06011	3.3
110.07144	4.3
111.04402	1.9
112.08759	2.3
112.11234	1.8
113.05978	6.3
116.03436	2.8
116.07040	2.8
116.35702	1.6
117.01811	2.1
117.03428	1.6
119.04951	3.8
120.08092	6.7
121.06501	1.6
122.05985	3.7
124.07566	4.9
127.03891	94.1
129.01849	2.6
129.10229	12.5
130.04990	1.7
130.08618	5.7
131.07021	5.5
133.07640	2.1
134.06020	2.0
136.03979	2.6
136.07555	11.3
137.05899	2.7
137.09589	1.7
138.09143	8.1
140.07072	2.9
145.02908	3.9
145.04930	49.7
146.06148	2.2
146.08084	3.8
147.02754	3.0
147.04384	7.1
147.07930	1.7
148.04755	1.8
154.08618	19.4
155.10661	1.9
159.02869	19.8
163.03870	1.9
166.08673	3.4
174.07538	2.0
175.12167	3.7
177.04033	1.8
177.05486	4.4
178.09737	3.7
181.08606	2.2
192.07640	5.4
198.11250	7.2
199.09653	3.2
199.13101	1.8
212.07086	3.2
213.03812	7.8
215.77594	1.8
216.06696	1.5
216.12294	4.8
217.10780	3.2
218.05598	3.1
221.05606	5.6
231.04964	37.7
234.11113	2.7
234.13342	39.4
235.08246	5.8
238.09006	1.7
249.05977	12.5
249.15717	1.9
257.12808	3.1
262.17749	1.7
275.13724	5.5
276.14297	1.9
332.09579	2.0
378.13855	3.0
379.12531	2.2
380.10703	5.4
395.33694	3.2
396.15524	7.5
396.21021	2.4
396.33853	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	396.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73016	0.7
55.05500	6.4
56.05022	1.5
56.96555	0.8
57.03424	2.0
60.05473	0.6
64.98113	0.7
69.03413	1.5
69.72215	1.7
69.72626	2.9
70.06582	21.0
71.01357	3.5
72.08133	1.3
73.02905	6.9
75.04449	1.4
82.06564	17.2
83.01291	0.9
84.04510	0.9
84.08122	13.6
85.02885	17.6
85.08511	0.8
87.04453	0.9
90.05512	0.7
95.01310	4.5
97.02864	1.8
98.09677	1.4
99.00820	1.4
100.07599	67.1
101.02371	1.6
101.07963	0.7
103.03937	3.0
110.06020	24.5
112.11208	0.7
113.02357	6.6
120.08078	0.6
127.03965	0.9
128.07057	100.0
129.07425	0.9
130.08643	3.4
131.03384	4.8
141.01797	10.3
145.04910	0.8
146.08107	2.0
147.04375	1.2
159.02927	1.9
171.14879	0.9
174.11259	5.5
202.10715	10.4
220.11765	84.0
221.12144	1.5
272.51984	0.6
329.43588	0.7
378.14047	4.9
395.33826	2.5
396.14948	55.3
396.33911	3.1
397.15375	1.1
401.24216	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.5
57.03416	1.2
57.07064	100.0
57.66173	1.0
58.07416	1.1
59.04701	1.7
59.04988	26.9
69.07039	1.6
70.14938	4.0
71.08620	75.0
80.83149	0.9
83.08586	1.8
85.10168	64.6
89.06017	22.9
90.49028	0.9
94.97147	1.1
97.10145	3.8
99.11713	14.3
101.09596	2.5
107.07047	2.8
113.13226	6.3
117.09107	9.2
133.08585	4.4
147.10117	4.6
155.17928	8.8
156.10196	1.1
165.11185	4.2
195.12234	18.8
197.20523	1.0
205.14268	3.0
213.22076	20.0
223.15442	1.6
238.16621	1.0
257.57245	1.1
271.26273	11.2
355.34018	1.2
377.32550	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	395.0368
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73124	12.1
62.93459	10.0
64.14594	9.4
65.00910	9.6
70.22229	33.5
70.22617	22.2
84.08138	12.7
105.35248	11.4
112.44926	10.7
130.08656	14.4
130.76341	11.8
151.49207	12.1
351.29178	14.1
395.03659	41.3
395.09415	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0946
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59520	0.5
55.94328	0.5
63.57469	0.6
70.09155	1.8
70.09575	1.6
73.60790	0.5
84.08131	6.0
130.08615	9.9
142.70688	0.6
233.12909	1.1
284.02045	1.3
395.09454	100.0
396.09979	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	395.0943
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69954	0.4
67.45428	0.4
68.54518	0.4
68.88457	0.4
69.24857	3.9
69.25269	1.1
78.59639	0.4
84.08112	0.9
92.19389	0.4
102.90334	0.4
167.21776	0.4
173.20168	0.4
195.27373	0.4
196.28960	0.5
205.99709	0.6
228.96979	0.5
246.42599	0.6
286.05328	0.5
363.36313	0.4
385.53519	0.5
394.98682	3.4
395.09427	100.0
396.09863	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	395.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20906	2.6
51.59024	2.7
53.03933	5.4
55.01857	9.5
55.05499	6.0
57.03432	17.0
61.02906	12.5
67.05478	11.2
68.43279	2.9
68.99788	14.9
69.03419	33.5
69.07049	9.3
69.90394	12.1
70.06561	8.3
71.04987	6.7
72.08139	3.1
73.02896	7.4
79.05466	11.9
81.03400	18.1
81.07027	20.3
82.75744	2.4
83.04963	5.2
84.04511	3.7
84.08125	21.4
85.02892	59.9
85.06538	4.6
87.00814	30.1
87.04427	6.6
91.05466	25.8
93.07029	18.3
95.04936	9.5
95.08597	16.7
97.02884	14.8
99.04424	11.3
100.07596	10.5
103.03936	19.1
103.05451	10.5
103.52834	2.4
105.01838	7.3
105.07015	39.5
107.08556	13.1
109.02865	5.8
109.06494	4.4
109.10172	13.3
110.07240	3.1
111.04417	5.8
112.11211	6.6
115.05429	15.7
117.06987	37.6
119.04951	7.5
119.08547	21.1
120.08064	3.4
121.06480	10.0
121.10122	7.7
123.04415	5.2
123.08061	4.2
123.11651	2.8
124.05210	5.3
125.09642	3.1
127.03874	5.7
127.11079	2.8
128.06190	20.3
129.01842	13.2
129.06979	43.5
131.04916	13.6
131.08527	17.7
133.06470	6.4
133.10118	18.5
135.04327	4.5
135.08044	3.5
135.11646	4.8
137.05960	36.3
137.09641	4.4
137.13260	3.4
141.06969	17.3
142.07726	4.0
143.04886	5.7
143.08531	17.0
144.05676	11.5
145.06467	31.1
145.10077	14.7
147.02869	9.3
147.04373	11.9
147.08017	6.7
147.11661	8.5
149.05945	3.8
149.09599	7.5
151.03880	3.1
151.07475	8.8
152.06151	6.8
153.06937	7.5
155.08517	3.7
157.06499	28.2
157.10092	12.1
158.07224	10.6
159.02859	3.8
159.08014	12.4
159.11621	18.1
160.05142	22.7
161.05969	13.0
161.09563	15.4
161.13219	5.0
162.06693	6.0
163.07492	10.7
163.11128	5.6
165.06947	10.1
165.09091	3.9
167.08482	15.2
169.06430	16.4
169.10110	3.3
170.07211	5.9
171.02846	9.5
171.04286	4.0
171.08034	13.0
172.05164	10.7
172.58600	3.1
173.05901	4.2
173.09604	8.3
173.13312	7.7
174.06703	19.3
175.07516	87.4
175.14798	4.7
176.08058	3.7
177.05511	6.1
177.06886	2.6
177.07518	4.3
177.09090	61.1
181.06419	12.5
183.07988	8.5
183.11684	4.0
184.08792	3.1
185.09656	5.9
185.13228	6.7
186.06712	8.3
187.07501	100.0
187.11038	4.1
187.14809	5.5
188.04576	3.1
188.08035	6.1
189.03949	15.8
189.09068	64.4
190.06241	4.5
191.07039	10.1
191.10635	12.5
193.08485	5.3
194.07358	3.2
195.08026	31.4
197.05965	4.4
198.06709	5.2
199.07452	13.6
199.11163	4.4
201.09081	73.1
203.07002	4.0
203.10564	16.7
203.14259	17.1
205.08632	10.1
209.09615	4.4
211.07509	5.0
212.08229	8.4
213.09050	23.3
214.06198	5.7
215.10634	12.5
216.07893	6.3
217.08479	7.4
217.12158	5.5
219.10153	3.5
223.07449	10.4
225.09036	8.1
227.10638	53.0
229.08542	19.6
229.15633	3.7
231.10023	30.0
233.11646	4.2
234.65167	2.9
237.09241	5.5
241.08553	4.3
243.10095	9.9
245.11681	12.2
255.10120	70.4
259.09525	4.6
261.11276	3.1
265.15387	3.1
273.11194	48.3
291.12198	12.1
295.09940	3.0
324.09717	3.1
359.11057	7.8
377.12088	6.1
395.07413	4.1
395.14459	13.9
395.33749	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	394.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	4.1
56.70069	1.0
57.03420	1.7
57.07064	87.9
58.07396	3.1
59.04713	1.5
59.04987	19.4
65.16562	1.0
65.29187	0.9
67.05498	5.0
68.45602	1.1
69.07044	5.2
69.50340	1.0
71.08616	100.0
71.53035	0.9
71.53431	1.5
72.08942	2.8
73.02901	30.5
76.97314	1.1
77.50517	1.0
79.81860	1.1
81.07027	3.9
82.07355	1.8
83.08601	4.2
84.08934	1.3
85.06508	1.0
85.10165	82.2
86.10480	3.5
86.69196	0.9
87.04454	1.3
87.08080	1.4
89.06012	35.9
93.07011	1.8
95.08588	6.3
96.08914	3.9
97.10136	2.4
98.98444	20.2
99.11713	10.0
103.07541	3.1
107.07031	3.1
109.10175	2.4
110.10455	1.7
111.11681	1.3
113.13252	1.4
117.09103	2.3
117.30020	1.0
119.08578	1.5
123.11680	2.2
127.14793	1.3
133.08572	15.1
135.11659	1.2
141.16350	9.8
151.09683	5.7
155.01015	30.9
156.01324	5.1
177.11143	4.2
179.09018	3.2
185.19002	2.6
195.12233	31.2
199.20532	13.7
200.21021	1.0
240.23972	2.7
243.23096	4.1
329.89459	1.2
349.29391	9.0
377.28815	1.5
377.32651	13.9
378.32697	1.5
395.32907	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10544	1.0
55.05478	1.3
57.03407	1.8
57.07066	28.9
59.04987	26.2
69.07042	1.9
70.67517	3.3
71.08620	38.9
73.04430	1.2
81.07077	1.4
83.08601	1.5
85.10170	23.6
89.06012	71.5
90.06329	1.6
93.07014	1.8
95.08573	1.3
98.21253	1.2
98.98467	1.5
99.11690	2.4
101.09618	1.9
103.07559	2.0
107.07056	6.7
112.07385	1.0
117.09129	5.6
127.14808	2.4
130.08627	2.6
131.06723	1.1
133.08580	29.1
150.97646	1.2
151.09607	4.4
155.01051	1.5
161.11766	1.1
177.11188	5.1
185.18918	6.0
195.12247	100.0
196.12502	1.8
210.30124	1.2
226.21486	1.2
240.79836	1.1
243.23102	5.4
316.08704	1.3
324.41656	1.1
377.32605	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	394.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	0.6
56.35984	0.4
57.07050	0.9
58.06605	0.5
58.45505	0.5
67.05491	1.0
69.07030	0.7
70.06577	96.1
71.04978	7.4
71.06914	0.8
74.02426	0.7
75.35214	0.5
76.53915	0.5
79.05495	0.9
79.30627	0.4
81.07054	1.3
88.07616	8.3
91.05473	0.9
93.07045	1.1
95.04927	0.7
95.08588	0.9
105.06996	0.7
116.07067	100.0
117.07374	0.8
119.08525	0.5
121.10145	0.9
134.08092	13.1
138.38304	0.4
138.94672	0.4
147.11740	0.6
178.91281	0.5
194.04402	0.5
203.92996	0.4
216.85173	0.5
229.17871	0.5
271.73703	0.4
313.79819	0.4
336.43454	0.5
394.10342	0.8
394.29376	2.8
394.34348	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	2.0
56.13276	1.2
56.79567	1.5
57.03399	1.7
57.07066	94.2
58.07381	2.2
59.04712	2.1
59.04990	30.2
64.98872	1.2
67.05486	2.5
67.22023	1.3
69.07056	4.4
71.08620	100.0
71.53174	2.2
71.53544	1.7
72.08972	1.8
73.06548	1.4
76.82969	1.3
81.07039	6.2
81.98992	1.2
82.65855	1.1
83.08607	3.9
85.10170	84.2
86.10513	1.5
87.04453	6.5
89.06009	10.9
91.05482	1.6
95.05009	1.8
95.08594	3.9
97.10149	2.4
98.98456	6.7
99.11731	11.2
101.09656	2.2
103.03930	22.0
107.07072	2.3
107.08575	1.4
109.10117	1.4
117.09110	9.4
119.08545	1.7
121.04948	1.8
127.14780	1.4
133.08577	3.3
141.16374	10.2
145.08571	1.7
155.01016	10.4
155.17944	2.2
173.13220	1.6
179.09082	3.7
185.19032	2.5
193.10686	1.2
195.12230	10.1
199.20546	18.5
228.72617	1.5
240.23756	2.2
243.23154	4.0
244.74138	1.2
256.00735	1.4
257.24783	10.7
306.23782	1.4
359.27863	2.4
377.28558	2.0
377.32849	7.8
382.64633	1.6
399.33588	1.4
407.61823	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	394.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.3
56.66914	0.9
57.03431	0.8
57.07065	100.0
58.07400	1.6
58.24243	0.9
59.04995	9.1
67.05489	1.0
69.07051	4.4
69.92894	4.9
71.08618	83.7
71.58132	0.9
72.08937	1.8
73.06539	1.0
81.07026	2.3
83.08603	3.4
85.06516	1.1
85.10166	66.9
86.10473	1.5
87.04458	4.0
89.06010	26.9
93.07053	0.8
95.08581	3.2
97.10140	2.4
98.98437	5.5
99.11713	12.4
103.03917	11.2
103.07583	3.4
107.07037	4.0
111.11692	1.4
113.13267	6.1
119.07136	2.0
122.05998	1.5
123.11672	0.9
133.08591	10.6
145.50404	1.0
147.06493	3.6
155.01025	6.2
155.17912	9.6
156.01381	1.4
165.07574	3.8
168.61835	0.8
177.11127	4.5
195.12239	25.8
213.22083	12.9
214.22472	1.0
257.24774	2.1
359.27777	2.6
377.28876	1.6
377.32605	24.7
378.32706	1.1
394.34680	1.3
407.67917	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.01867	1.4
56.05033	2.0
56.96566	4.4
57.03415	2.4
58.06586	1.8
59.04987	1.0
60.04513	1.1
61.02912	2.1
65.03915	1.1
67.09502	0.9
68.05029	0.8
69.03417	4.8
69.07079	1.7
69.53402	6.3
70.06585	10.5
71.04929	0.8
72.08143	2.0
73.02890	1.9
74.06047	1.1
74.09697	0.8
79.05489	4.3
81.03400	2.8
82.06555	2.0
83.04959	0.9
84.04492	12.3
84.08129	80.8
84.95997	1.0
85.02890	19.2
85.08461	1.6
86.06071	0.9
86.09701	5.3
86.99065	0.8
88.02187	1.6
88.03976	1.0
88.11240	2.3
89.03897	2.2
91.05467	19.0
92.05782	0.8
95.04926	1.4
97.02874	6.2
98.06006	1.0
98.09666	1.7
98.21474	1.8
98.97571	1.8
100.07597	2.5
100.28453	0.8
102.09156	3.0
105.04407	0.8
107.04939	8.2
107.62929	0.9
109.02869	2.2
109.06520	0.7
110.07135	3.1
112.07568	5.4
116.07015	0.9
116.98572	2.0
117.03345	1.9
119.04922	46.9
119.56042	1.0
120.05325	1.1
120.08080	3.6
121.06481	4.6
122.02742	1.0
122.03674	1.0
123.04441	0.8
127.03915	6.5
129.10184	2.0
130.06532	1.4
130.08611	11.4
131.04916	1.4
134.02686	1.4
134.09637	1.5
134.99648	1.1
135.04390	13.4
136.06169	0.9
136.07535	4.9
137.05951	36.6
140.07040	3.7
141.13858	2.3
143.00119	1.0
144.06487	0.9
145.02823	2.8
145.04941	4.0
146.08110	1.1
147.04385	82.1
148.04715	3.8
149.05962	7.8
151.07513	9.1
152.10675	2.1
156.07645	2.3
162.04166	1.7
163.03850	6.7
163.07518	1.8
165.05408	1.2
167.07016	26.2
167.08426	1.7
169.11995	1.3
169.13329	6.7
177.05461	6.1
179.07002	100.0
180.07317	4.4
191.06940	2.6
197.07930	5.1
202.81931	0.8
203.06999	1.5
207.06485	0.9
209.07941	1.7
213.04333	1.3
215.07031	1.9
218.10010	1.0
225.16014	1.2
227.09097	1.6
229.08565	1.3
233.12830	0.9
237.02821	1.8
239.02240	3.8
248.09383	0.9
257.03241	2.9
257.07843	0.9
261.16348	2.2
263.08942	1.7
275.09097	1.3
289.15741	2.3
293.10181	1.0
295.12231	1.8
302.17154	5.5
311.11182	8.0
323.11047	1.0
330.20187	21.0
339.13049	0.9
349.14328	1.2
394.11182	1.1
394.20010	13.0
394.34335	1.0
395.13681	1.7
395.18671	1.0
395.33801	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.163
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	4.3
55.05494	1.9
56.05021	3.5
57.03446	1.6
57.07067	1.5
58.99564	13.5
59.06176	1.5
60.03236	1.3
60.04515	2.6
61.01147	2.3
61.02911	1.4
62.99054	6.0
66.02679	1.2
66.56704	1.5
67.05488	5.0
68.05000	1.7
69.03408	6.0
69.07056	73.4
69.53071	3.8
69.53500	6.3
70.06590	10.1
72.08138	4.5
74.00648	8.1
76.02212	4.9
76.03979	2.8
79.05463	1.7
81.03413	2.5
81.07023	2.4
82.06576	2.9
83.06080	4.9
84.04495	41.6
84.08125	9.1
85.02886	5.2
85.06490	1.8
86.09683	3.9
86.99032	12.9
88.02200	6.8
91.05470	3.4
93.07015	4.7
95.08620	1.6
97.02852	3.1
98.09696	1.8
99.04446	1.8
99.05566	1.8
100.07608	5.2
101.04230	10.0
101.85018	1.3
102.05555	2.0
105.00050	1.7
105.07022	1.7
109.02820	1.9
109.06490	3.2
110.07158	3.3
111.04415	1.5
112.03982	6.7
113.03489	1.5
114.05492	1.6
116.01660	50.7
116.07062	2.0
117.02017	1.4
117.03720	7.9
119.05294	9.8
120.08074	25.2
122.06057	1.4
127.03896	2.2
127.05787	5.5
129.06580	9.2
129.10205	2.7
130.04970	26.2
130.08611	3.1
133.06419	1.5
134.09636	1.4
136.07555	2.2
137.05959	1.8
142.03217	2.9
142.08662	1.7
144.01120	29.0
144.02196	2.4
145.02821	4.6
145.04977	2.7
145.06833	34.3
146.06038	2.1
146.08090	2.6
147.04347	8.6
151.07550	8.3
152.07051	2.0
154.04932	1.8
161.05965	1.8
162.02174	100.0
162.09450	11.2
163.02586	1.8
170.02649	1.8
174.02174	2.2
177.03255	3.0
177.05431	5.7
178.05887	1.7
179.06993	2.4
190.09044	1.3
197.08057	4.1
197.11667	1.7
204.07304	1.8
205.09720	1.6
208.09723	1.6
215.09097	2.5
230.08434	21.0
232.06616	1.7
232.09865	1.8
232.15395	3.6
247.11110	4.7
248.09482	88.3
262.11795	1.8
265.12112	44.1
319.13177	25.3
376.15646	2.2
394.16916	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
55.01868	0.9
55.05499	1.4
56.05021	1.0
57.03433	0.7
59.05001	0.4
61.02923	0.7
67.05489	0.8
69.03420	4.9
69.07053	0.7
70.06580	10.8
71.04993	2.1
71.52433	0.4
71.52826	0.5
72.08149	4.7
73.02894	0.7
76.51521	0.4
77.83423	0.4
79.05477	1.0
81.03394	4.5
81.07047	1.7
83.04951	0.6
84.04487	0.8
84.08138	1.4
85.02891	23.8
86.09692	5.7
87.04466	1.0
88.02206	0.4
88.03947	0.5
88.07615	100.0
89.07959	1.4
91.05460	1.4
93.07030	1.7
95.04951	1.1
95.08596	1.4
97.02879	6.3
98.06066	0.5
99.04446	11.3
100.04774	0.5
100.07587	1.0
103.03928	21.4
105.07019	1.0
105.54723	0.4
107.04957	0.5
107.08598	1.4
107.12132	0.4
109.02869	6.6
109.06494	0.8
109.10132	0.5
110.07178	1.0
112.11260	0.5
113.35122	0.4
115.03916	0.7
116.07068	1.0
117.03307	0.4
119.08583	1.3
120.08061	2.8
121.10145	1.4
122.06059	0.8
123.04411	0.5
123.08103	0.5
123.11690	0.5
125.05989	0.5
127.03899	31.9
128.04245	0.6
129.10164	0.5
130.08575	0.6
133.10088	1.0
136.07590	0.8
137.05949	4.4
137.09645	0.6
137.67119	0.4
140.07080	1.0
141.09085	0.6
145.04944	19.0
146.05994	1.5
149.09636	0.9
151.07529	1.0
154.05020	0.7
154.08617	0.4
161.09657	0.5
162.88951	0.4
163.06004	9.9
177.05536	0.5
177.18254	0.4
179.10609	2.5
185.16493	1.1
187.05901	2.9
191.68419	0.6
197.11676	4.1
203.67328	0.4
205.07057	1.7
208.95169	0.4
213.15904	0.6
217.08823	0.8
232.07898	0.5
232.11687	1.2
253.06944	0.5
271.08072	2.2
287.13693	0.4
289.09122	1.5
301.11240	1.0
307.10153	1.2
376.15924	0.9
394.16776	3.7
394.20947	0.8
395.14554	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.3202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00287	0.6
55.05497	2.7
56.93865	0.6
57.07064	98.1
58.07403	1.7
59.04990	15.7
67.05493	1.5
69.07063	3.0
69.68732	3.6
71.08618	100.0
72.08943	1.5
79.05479	1.0
81.07047	2.5
83.08608	2.2
85.10165	89.6
86.10493	2.0
87.04451	1.6
89.06013	47.0
90.06334	0.7
91.05449	1.0
93.07029	2.5
95.04974	0.6
95.08588	2.5
97.10165	1.4
98.21532	0.6
98.98431	1.1
99.11713	10.2
103.07571	3.8
105.07001	2.2
107.07040	4.0
107.08588	1.0
109.10105	1.4
111.11734	0.9
111.87892	0.6
112.96775	0.5
119.08552	2.0
121.06496	0.7
121.10139	0.8
130.08607	2.4
131.06972	0.9
131.08554	1.0
133.08580	19.8
133.10100	1.4
134.08910	0.7
138.37686	0.6
141.16357	6.9
145.10097	1.3
145.34058	0.5
151.09604	1.4
155.00981	2.6
157.10059	1.2
159.11601	1.2
161.13200	1.1
177.11189	14.9
178.11426	0.7
187.14803	0.8
195.12247	17.8
199.20532	7.1
201.16193	0.7
235.15396	0.7
239.14801	2.7
243.23187	1.3
253.16299	1.0
289.99750	0.7
330.25375	0.6
375.08072	0.6
376.25540	1.4
393.31241	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51175	0.4
52.87829	0.4
55.01870	0.7
56.05024	0.8
56.96551	4.9
58.99575	1.2
59.04956	0.5
60.04520	0.6
61.01150	0.6
61.02905	0.6
68.05001	0.7
69.03416	1.6
69.07060	1.1
70.04488	1.2
70.04893	1.0
70.06579	94.3
71.04996	0.5
71.06902	1.2
72.08137	1.2
73.02897	0.8
75.03486	0.4
76.47057	0.4
81.03393	0.5
81.07027	0.5
82.06557	1.2
84.04486	1.4
84.08126	6.1
84.96024	0.4
85.02888	3.8
86.09682	1.3
88.02197	19.2
88.03973	0.7
89.03893	0.8
91.05472	3.6
93.04520	0.5
94.06546	0.6
95.32609	0.4
97.02872	1.2
98.97570	2.7
100.07605	0.5
107.04948	0.9
110.07160	1.2
112.07586	100.0
113.07922	2.3
114.05505	1.8
116.01640	0.6
116.07081	0.5
116.98583	1.7
117.03355	1.6
119.04914	7.6
120.08060	1.3
121.06497	0.9
126.05479	0.5
127.03871	1.0
128.07076	0.5
128.98582	0.8
129.10185	0.9
130.06519	0.8
130.08617	8.0
132.23560	0.4
134.02698	5.3
134.99611	1.1
135.04369	1.3
136.06166	1.1
136.07550	1.2
137.05948	17.8
138.05460	3.2
139.05809	1.2
140.07039	78.0
141.07364	1.5
144.01102	0.7
145.00723	0.6
145.02826	1.9
145.04929	0.5
146.08051	0.9
146.99603	1.1
147.03204	0.9
147.04378	18.2
148.04715	0.7
149.04541	1.7
149.05914	1.6
151.07501	0.7
155.03397	1.1
158.99660	0.6
161.01138	0.6
161.02916	0.7
162.02100	0.7
163.03835	0.9
166.07217	17.7
167.06996	1.3
177.00676	0.7
177.05431	3.9
179.06995	15.9
186.14439	0.5
187.04391	0.6
192.01558	0.6
197.01204	0.6
197.08047	3.6
213.04274	1.1
219.01826	0.4
221.01118	0.9
221.04892	0.5
230.06503	0.7
239.02225	3.7
243.07968	3.4
245.46185	0.5
248.09468	0.7
257.03226	2.5
261.09052	6.7
263.02240	0.6
265.12170	0.8
267.00067	0.8
273.08932	1.1
279.01660	0.7
281.03210	0.8
281.44672	0.5
284.01993	0.8
293.10068	0.4
304.22562	0.5
311.11249	0.6
376.10101	0.6
377.01514	1.8
377.12521	0.4
394.10565	12.9
394.34171	0.7
395.03036	1.4
395.12997	3.1
413.04181	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	8.0
55.05494	19.9
57.03430	3.3
57.07065	17.9
59.04967	4.4
59.55009	2.5
65.03922	5.0
65.20944	2.5
67.05489	34.7
69.03404	3.1
69.07063	22.8
71.04976	3.2
71.08610	13.4
71.52977	2.0
79.05473	31.2
81.03374	2.7
81.07040	73.5
83.04968	5.8
83.08609	12.5
85.06532	3.7
85.10142	6.5
91.05465	47.7
93.07023	76.1
95.04949	47.5
95.08587	65.8
97.06485	8.5
97.10126	4.0
98.98435	21.2
103.03928	3.1
103.05430	6.3
105.06296	5.0
105.07006	100.0
106.07311	3.0
107.07876	3.0
107.08569	50.1
109.06494	15.3
109.10126	29.1
111.11773	2.8
113.00020	5.5
115.05508	2.7
116.06196	3.1
117.06995	19.1
119.08558	87.8
120.08890	2.6
121.06474	22.8
121.10110	36.9
123.08004	6.9
123.11671	11.1
128.06197	11.0
129.06984	15.1
130.07764	10.1
131.08531	40.5
133.06456	2.9
133.10103	56.1
135.07993	5.8
135.11674	27.2
137.09608	4.7
137.13179	2.5
141.06943	4.8
142.02393	2.2
142.07709	19.4
143.08528	35.8
144.09369	11.8
145.06435	4.0
145.10088	61.5
146.07185	2.9
146.10490	3.1
147.08020	2.6
147.11694	21.7
149.09579	4.1
149.13220	4.8
153.06941	4.0
155.01015	38.7
155.08510	11.0
156.09290	7.8
157.10104	51.6
158.10814	7.6
159.07957	5.0
159.11655	39.0
159.12900	4.4
160.12166	2.3
161.09581	15.4
161.13208	8.7
163.11182	3.5
163.14885	3.1
167.08513	6.5
168.09273	5.0
169.10110	25.6
170.10843	7.6
171.11639	24.4
173.09547	4.7
173.13261	21.5
175.11136	12.0
175.14815	14.0
178.07565	2.6
179.08475	4.6
181.10025	8.7
182.10851	7.0
183.11583	16.0
185.13242	12.8
185.81000	2.2
187.11131	8.2
187.14771	10.5
189.12614	3.4
192.09302	3.3
193.10124	6.1
195.11684	10.7
196.12425	4.5
197.13190	13.7
198.13950	2.4
199.11131	2.4
199.14827	9.2
201.12631	4.3
201.16307	10.3
205.10213	2.7
207.11652	8.1
209.13197	17.3
211.14748	8.0
213.16325	6.7
215.14262	4.4
217.15668	2.6
219.17346	3.8
221.13109	2.9
223.14734	7.6
225.16257	2.7
235.14722	3.3
239.17859	3.0
239.23480	2.9
241.19382	4.0
253.15791	6.5
271.20294	2.5
281.18936	3.2
293.35938	2.7
304.26266	3.2
347.17514	2.2
357.94565	2.3
375.26550	7.3
376.25903	4.8
393.27466	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.0
55.01860	4.6
55.05498	11.3
56.05015	4.7
57.03423	4.3
57.07063	3.1
58.99595	2.2
59.04988	1.6
61.02905	4.0
65.03924	2.7
67.05492	16.9
68.05001	2.1
69.03414	12.0
69.07056	17.8
70.06231	2.4
70.06582	25.9
70.13033	1.5
71.04983	23.4
71.55066	2.9
72.08138	20.7
73.02902	3.6
74.06054	2.1
79.05480	16.7
81.03401	12.3
81.07039	40.5
83.04964	15.7
83.08593	3.2
83.12066	1.4
84.04479	4.6
84.08137	8.3
85.02887	30.5
85.06521	7.7
85.67751	1.4
86.09692	19.5
87.00827	1.9
87.04470	2.6
88.02193	7.4
88.07616	71.3
91.05460	19.1
93.07027	50.1
95.04951	48.1
95.08588	21.4
97.02881	11.5
97.06504	6.1
97.10146	11.8
99.04435	22.4
99.08100	3.0
100.07586	1.8
101.06000	1.6
102.05531	3.3
103.03928	17.3
103.05447	2.7
103.33559	1.7
105.01845	3.8
105.07011	31.1
107.04949	4.2
107.08575	33.4
109.02845	11.3
109.06482	17.0
109.10133	27.2
110.06007	2.7
110.07204	2.1
111.08081	5.3
112.11211	1.6
113.05986	11.1
115.05415	2.4
116.07073	4.6
116.12244	1.6
117.06957	8.5
118.06474	2.0
119.04881	1.9
119.07763	3.1
119.08556	29.1
120.08083	22.7
121.06499	4.2
121.10127	33.2
122.05997	5.1
123.08041	6.4
123.11635	10.3
125.05990	8.0
125.09624	7.5
127.03900	35.1
127.07571	3.8
127.11169	14.7
128.06184	2.5
129.07016	3.3
129.10223	3.1
130.07709	2.4
130.08592	2.1
131.08548	12.2
131.42804	1.8
132.08086	5.7
132.10124	2.0
133.06337	1.7
133.10089	15.4
134.02711	2.3
135.08041	6.5
135.11665	15.8
136.07545	3.0
137.05954	55.8
137.09590	6.4
137.13211	3.3
139.07515	1.6
139.11145	3.7
140.07024	5.8
142.07719	2.7
143.04707	1.6
143.08560	10.7
143.10638	12.5
144.08057	2.2
145.02930	1.8
145.04933	16.5
145.10104	22.3
146.06003	11.1
147.04408	2.5
147.09145	1.9
147.11676	11.3
149.09602	8.8
149.13258	4.4
151.03896	2.8
151.11125	3.0
153.12753	8.1
155.08475	1.7
155.10602	1.5
157.10126	10.0
159.11656	10.8
161.09633	4.1
161.13200	3.6
163.05980	7.8
163.07370	2.5
163.11116	9.5
165.12711	5.9
166.08607	3.7
167.06966	2.7
167.08266	2.0
167.10640	4.3
168.06380	2.1
169.10056	2.9
170.05954	2.0
171.11639	6.2
173.13196	10.6
175.11076	2.6
175.14745	9.0
177.05495	2.6
177.16393	2.8
179.10641	32.9
181.12169	3.9
183.11566	2.2
183.11972	2.5
183.13733	21.7
185.07098	3.6
185.13260	4.0
185.16289	1.8
187.06009	3.3
187.14838	5.8
188.07001	10.7
189.16400	4.7
191.18028	1.9
193.15784	3.9
195.10202	3.0
195.17461	2.1
196.10646	1.8
197.11688	41.5
197.13243	3.4
199.14774	22.5
201.12527	2.3
201.16345	2.0
202.07126	2.9
203.14291	2.3
203.17975	2.6
204.06554	4.2
204.08800	5.0
205.15875	2.3
206.08076	3.1
209.19060	3.0
211.14722	4.4
213.16336	2.3
214.11459	4.1
215.17978	3.4
216.08766	64.6
217.09294	5.1
217.15942	9.4
218.10359	2.6
221.18954	1.8
223.16940	2.9
225.06378	3.9
226.07210	2.4
227.08060	3.6
228.03288	2.9
230.10364	7.4
231.07574	5.2
231.11241	5.3
231.17331	1.7
233.16408	4.7
233.18864	2.6
235.16943	3.9
240.03333	2.0
240.08751	39.9
241.09233	6.2
243.07568	2.0
246.09749	3.3
253.17975	1.7
255.07608	4.3
255.11169	2.3
255.21016	3.5
258.09811	2.7
259.20575	1.7
261.15933	1.7
267.20996	2.7
268.08209	1.7
269.09244	1.9
272.05783	5.1
272.11246	2.0
273.08536	1.8
273.22150	2.7
285.22122	15.4
286.22415	1.7
291.23120	5.0
300.10873	34.0
301.11365	4.7
303.23123	16.3
309.24164	5.0
309.78235	1.6
315.09589	2.9
321.24213	22.5
322.24545	2.5
333.13266	2.6
339.25351	11.0
357.26349	1.8
361.12747	2.9
375.11261	12.2
376.12323	1.6
393.15274	35.3
393.20856	100.0
394.16205	3.0
394.21173	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	393.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57379	2.2
51.20895	2.1
52.93573	2.2
53.03935	3.5
55.01851	8.4
55.05502	27.2
57.03408	5.3
57.07069	13.4
65.03906	2.6
67.05494	96.8
69.03419	15.7
69.07062	26.2
69.87997	4.9
69.88402	11.0
71.01349	4.7
71.04974	5.5
71.08611	3.7
79.05479	66.3
81.03371	3.4
81.07040	100.0
83.04970	5.5
83.08595	15.3
85.02895	17.2
85.06515	3.1
85.10176	3.8
89.05995	5.4
90.64459	2.9
91.05470	53.8
93.07028	96.1
95.04950	12.7
95.08589	81.7
97.02885	12.4
97.06490	6.7
97.10155	7.4
98.98432	6.4
101.97700	2.2
105.07024	43.7
107.08576	52.4
107.28390	2.3
109.06493	7.1
109.10133	34.8
110.96603	2.3
111.08033	5.1
111.11679	2.2
114.87385	2.5
115.03928	12.7
117.06995	17.6
119.08546	38.3
121.06492	3.6
121.10121	50.3
123.08046	3.6
123.11665	12.1
125.09595	3.2
129.06937	4.3
131.08554	32.7
133.06462	2.8
133.10098	31.1
135.11665	37.0
137.09544	3.0
137.13235	4.8
139.07491	3.1
139.11143	2.9
143.08537	7.8
145.10091	23.6
147.11636	20.8
149.09622	3.5
149.13226	20.3
151.11143	3.0
155.01019	11.6
155.08595	3.9
157.10081	4.9
159.08017	2.9
159.11682	22.2
161.13228	16.8
163.11110	3.4
163.14809	7.4
169.10143	4.4
171.11656	4.5
173.13206	12.7
175.14796	6.6
177.16232	3.4
179.10645	3.2
183.11661	2.8
185.13181	4.4
187.14795	10.3
191.14322	3.1
197.13239	3.7
199.14824	4.1
201.16360	3.9
233.22565	3.2
243.21022	11.4
259.20547	9.0
261.22104	41.7
275.17264	2.2
277.21698	3.9
289.21542	8.4
303.23267	4.7
315.22821	2.8
327.22842	3.5
329.24796	3.2
339.23102	4.8
345.24100	6.5
357.24225	11.1
375.25229	9.4
393.26578	18.5
393.35236	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	393.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78303	0.4
55.01855	0.4
55.05478	0.6
56.90279	0.5
63.70594	0.4
67.05476	1.4
68.04993	1.8
69.03395	0.7
69.07030	1.4
69.76697	2.8
70.06599	2.1
71.04937	0.6
72.08129	1.0
73.02876	0.5
79.05467	0.9
81.07035	2.2
84.04457	0.5
84.08108	1.1
85.02873	0.6
86.09658	1.6
91.05451	1.2
93.06996	1.7
95.04930	1.2
95.08549	1.2
97.06499	0.5
99.04441	0.5
100.07563	0.7
105.06973	1.4
107.08543	0.9
108.29690	0.4
109.06486	1.3
109.10117	1.1
110.07124	0.6
112.11178	0.5
119.08558	1.1
120.08052	1.3
121.10105	0.8
122.02710	0.7
122.06003	1.1
123.08018	0.6
123.11701	1.0
127.03889	0.5
130.04985	1.0
131.08525	0.7
133.06438	0.4
133.10159	0.6
135.11610	0.6
137.05946	0.9
140.03386	0.9
140.07005	1.4
145.09973	0.5
146.05981	1.5
149.04547	0.7
151.03889	0.5
166.07173	0.8
172.03831	0.7
172.06079	1.0
177.05464	0.5
189.06439	0.6
189.10168	0.7
197.11601	0.5
201.06441	1.4
202.07188	1.8
203.07938	1.5
204.06813	0.8
204.08755	6.4
204.10626	0.5
206.08130	0.9
214.89026	0.5
215.07954	1.5
216.08763	100.0
217.09396	4.2
218.10321	6.2
225.06392	9.5
226.07222	2.8
227.07930	1.4
229.09567	0.9
230.10326	10.6
240.08757	53.6
241.09448	3.5
242.10272	0.5
246.07233	0.7
246.09792	6.5
247.10165	0.7
258.09808	2.2
259.10632	0.7
268.08252	5.2
272.11429	4.2
283.09409	1.2
286.09229	0.5
300.10849	53.9
301.11392	3.1
311.08823	0.6
313.11642	0.6
313.24637	0.7
315.12018	1.0
319.12793	0.7
321.24091	0.5
333.12994	3.0
343.11603	2.7
361.12497	6.4
375.13974	7.0
393.15103	41.2
394.15314	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.9
57.03424	4.3
57.07069	31.9
59.04981	0.6
59.15386	0.5
67.05173	0.9
67.05497	11.5
69.07053	6.4
69.94101	1.7
69.94504	1.0
71.08620	24.5
79.05490	1.2
80.97439	0.5
81.07040	13.6
82.33434	0.6
83.08614	8.8
85.06545	0.8
85.10173	12.3
91.05449	0.7
93.07015	1.8
95.08594	20.2
97.10154	5.3
98.98454	48.2
99.11738	1.0
107.08573	0.6
109.10143	11.6
111.11710	1.2
116.99476	3.0
121.03468	0.6
121.10075	0.7
123.11695	5.8
125.13235	1.8
135.11612	0.7
137.13235	2.3
140.01033	0.7
149.13284	0.8
151.14793	0.7
155.01018	100.0
196.03676	1.3
210.06573	0.6
221.22697	1.1
235.98146	0.6
239.23668	11.7
393.23886	1.6
393.34799	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51584	1.3
50.99089	1.4
54.33305	1.2
55.05488	2.1
57.07065	100.0
59.04711	1.7
59.04990	30.9
69.07053	2.6
71.08620	75.1
82.16972	1.3
83.08601	2.0
85.10167	61.4
87.04455	23.5
89.06002	2.0
95.08572	1.8
97.10148	3.3
99.11721	13.5
102.12797	3.6
111.11672	1.4
113.13229	6.1
117.09101	9.5
121.10102	1.6
138.41327	1.8
155.17915	7.6
213.22093	11.0
229.14909	1.7
231.14409	1.8
271.26221	7.4
275.08957	1.6
347.31775	1.7
362.15228	1.8
364.16171	2.0
375.31052	2.4
377.17490	4.2
391.19220	2.6
392.19650	14.5
392.34958	2.0
393.20609	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54456	0.5
51.89219	0.4
56.96526	0.9
57.03393	1.0
65.24141	0.4
69.03372	1.0
69.75583	0.4
70.06572	2.9
71.24499	0.9
72.08089	0.6
72.38585	0.4
73.02846	1.6
77.00861	0.4
81.03385	0.4
84.04451	0.9
84.08079	1.8
85.02895	2.0
88.02169	0.7
89.00851	0.4
91.05403	1.1
94.99809	0.4
97.02850	0.6
98.97530	1.3
101.00851	2.8
102.16696	0.6
103.02422	0.5
112.07551	1.4
113.00795	1.3
115.02420	2.2
116.98561	0.7
117.03941	1.3
119.01158	0.5
119.01904	6.4
119.04877	1.4
120.08048	0.5
127.03814	0.6
129.03789	0.4
130.08583	0.7
131.01891	9.4
132.01942	0.5
133.03438	5.6
134.03589	0.5
135.05020	3.5
136.06145	0.8
137.00772	0.7
137.02893	0.5
137.05975	2.0
138.05449	3.6
139.05765	1.6
140.06987	1.1
141.04015	0.5
143.01872	4.0
145.03499	5.4
145.04596	0.8
147.01331	0.8
147.04311	3.7
148.03751	1.7
149.02859	1.5
149.05814	0.5
151.04456	0.5
152.06856	0.4
155.01860	9.6
156.02678	0.9
157.03380	2.0
159.03813	0.7
159.05009	10.0
160.05046	0.4
161.02940	5.3
163.04555	2.9
169.03394	0.6
171.05009	12.4
172.05186	0.6
173.02939	10.1
173.06563	3.7
174.03050	0.7
175.04427	1.3
177.06145	4.2
179.06976	1.3
183.04985	0.8
185.02992	1.0
185.06586	1.7
187.04462	1.1
189.06061	11.3
190.06142	0.6
191.07568	1.7
195.04903	0.7
201.06065	5.9
203.03944	4.0
203.07564	1.1
205.05486	2.1
209.02832	0.4
213.06073	3.2
214.05940	1.0
219.01601	1.2
219.07104	2.7
221.05026	20.8
222.05196	1.0
223.04434	0.6
231.07034	0.5
237.02719	1.2
239.06314	0.5
243.07259	2.1
247.04491	0.7
259.06638	0.5
261.08066	26.1
262.08337	2.1
279.09216	62.4
280.09409	5.2
293.10825	0.5
295.06998	1.3
302.10831	2.1
318.09637	1.4
321.10114	1.3
333.10309	2.7
357.09988	0.6
375.11459	1.3
384.11475	1.0
393.13519	100.0
394.13794	4.4
409.10089	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.3408
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	0.7
55.05498	2.0
57.03429	4.1
57.07063	100.0
58.07407	0.9
59.04988	73.0
64.40102	0.6
67.05497	1.0
69.07054	2.9
70.11680	1.7
70.12080	1.3
70.34792	0.7
71.08616	95.4
72.08937	2.0
75.20908	0.9
81.07021	1.7
83.08598	2.6
85.10164	83.7
86.10499	2.4
87.04461	0.9
87.08090	1.6
89.06013	21.4
93.07075	1.0
95.04959	0.7
95.08586	1.9
97.10166	2.7
99.08072	1.8
99.11713	9.9
101.09616	2.2
101.51607	0.9
103.07558	3.3
105.07041	0.9
105.39652	0.7
107.07050	2.3
111.11741	1.0
113.06010	0.8
115.07591	0.7
117.09110	18.4
130.08560	1.1
133.08572	6.8
140.68028	0.7
141.16354	6.6
149.01292	0.9
149.02325	8.8
151.09607	1.4
158.11661	1.0
161.11674	0.7
167.03319	1.2
175.13216	1.6
177.11179	1.7
188.09404	0.9
193.14258	1.2
195.12236	16.9
199.19073	0.8
199.20581	9.2
257.24689	6.9
337.58240	0.7
391.19067	1.3
391.33820	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.5
55.01842	0.5
56.63398	0.2
56.67812	0.3
56.96535	0.3
57.03410	1.0
61.02895	0.7
67.05477	0.9
68.04995	0.4
69.03416	2.5
69.07027	1.2
70.06554	0.9
70.19805	1.0
70.20222	0.6
71.04955	0.8
72.08124	0.5
76.02162	0.6
79.05469	0.7
81.03401	2.0
81.07027	0.8
81.23534	0.3
82.06543	1.2
84.04475	0.8
84.08110	1.6
85.02419	0.5
85.02887	5.3
85.06514	0.6
86.09682	0.5
87.04465	0.4
91.03944	0.4
91.05450	1.6
93.07008	0.9
93.94150	0.3
94.06547	2.7
95.04930	1.0
95.08576	0.7
95.88752	0.3
96.04439	0.5
96.08064	0.7
97.02869	2.1
97.06484	0.5
99.04391	0.5
100.07588	0.6
105.06979	0.7
106.06557	0.5
107.08556	1.3
108.08086	1.1
109.02837	0.8
109.06509	0.6
110.06012	2.8
110.09622	0.5
111.06838	0.4
111.08031	1.3
112.07567	0.9
113.05962	0.9
117.03632	0.6
119.04914	0.8
119.08511	0.8
120.08054	1.2
121.06492	0.6
121.10079	0.4
122.05152	0.5
122.06007	8.6
122.09609	1.2
123.04408	0.6
124.07582	2.3
126.05479	0.3
126.09116	0.5
127.03904	0.9
127.30819	0.3
130.04994	0.4
131.08524	0.9
133.08842	0.4
134.09601	2.3
135.08011	0.7
136.07558	2.7
136.11150	0.7
137.05937	0.6
138.09105	3.3
139.07477	1.8
140.05940	0.7
140.07036	13.5
141.07423	0.4
142.06914	0.4
142.08592	0.9
145.02852	0.4
146.09599	0.8
147.04387	2.0
147.07921	0.4
147.32655	0.3
148.04680	0.4
148.07541	0.7
148.11188	3.6
149.02272	1.2
149.09586	1.7
150.02632	0.6
150.09087	1.1
151.11134	0.4
152.07060	0.6
154.08600	17.2
156.10136	1.1
161.08257	0.3
162.02177	0.8
164.30504	0.3
166.12245	4.5
167.07011	0.4
167.10677	1.6
168.10155	1.5
170.27525	0.3
176.10672	3.3
177.05406	0.9
177.09044	0.8
194.11722	10.7
195.10068	0.8
195.11928	0.3
196.09756	0.5
198.11137	0.4
212.12762	8.3
213.13150	0.5
230.13823	100.0
231.14168	4.0
245.09502	2.1
247.04092	0.3
254.13707	0.5
260.98291	0.4
263.10422	0.3
320.10507	0.3
392.13998	0.7
392.19058	13.4
393.19379	0.6
394.68692	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69989	0.4
52.86091	0.4
53.00301	0.6
55.05500	1.2
57.03432	1.9
57.07065	100.0
58.07402	0.9
59.04991	45.8
60.05319	0.5
67.41663	0.4
69.07055	1.6
69.73703	2.9
71.08619	75.7
72.08969	1.1
74.93948	0.4
81.07042	1.2
83.08611	1.8
85.10169	59.7
86.10483	1.1
89.06013	12.4
91.29430	0.4
95.08599	0.8
97.10155	2.9
99.08113	0.5
99.11716	12.1
101.06020	1.0
101.09637	1.6
103.07559	5.4
105.07025	0.5
107.07030	1.2
109.10120	0.7
109.61900	0.5
113.13270	3.8
116.07068	0.6
117.09116	10.8
121.08523	0.5
125.13234	0.6
131.08609	0.5
133.08577	4.8
135.11632	0.5
145.10043	0.7
149.02321	4.1
151.09644	0.9
155.17906	4.8
158.11702	0.9
159.11621	0.5
161.11710	1.8
167.03278	0.7
172.93188	0.5
177.11133	1.0
179.12808	0.9
187.14815	1.2
194.47997	0.4
195.12253	9.4
196.12581	0.5
201.16408	0.5
210.61986	0.4
210.69800	0.4
213.22119	5.7
219.16052	0.5
254.24513	0.5
271.26291	4.9
391.18890	1.0
391.33698	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	391.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47562	1.4
53.03926	2.4
55.01831	1.9
55.05497	6.9
57.07056	6.3
59.04980	2.8
65.03928	2.9
67.05492	11.6
69.03414	4.3
69.07053	6.2
69.69419	7.1
69.69839	3.5
71.08614	5.1
79.05488	19.1
81.07047	34.7
81.08097	1.6
83.04956	3.2
83.08610	3.2
85.06542	2.4
91.05469	27.7
93.07028	30.7
95.04957	38.2
95.08595	19.0
97.06533	6.3
98.20635	1.6
103.05460	3.5
105.07008	48.1
107.08576	24.6
109.06508	6.3
109.10135	7.2
111.08134	1.8
115.05418	3.9
116.06277	1.6
117.07001	13.5
119.08566	40.7
120.08870	2.2
121.06498	8.0
121.10124	18.4
123.08015	2.3
123.11682	2.1
128.06204	7.9
129.07011	11.0
130.07779	6.1
131.08556	20.2
133.06528	1.9
133.10100	13.5
135.08055	5.1
135.11644	3.5
137.09590	2.0
141.06987	4.4
142.07794	12.1
143.08553	24.2
144.09334	7.0
145.06465	2.1
145.10103	35.4
147.08049	5.3
147.11691	9.1
149.02319	33.7
149.09593	4.8
149.13338	1.9
153.07008	2.5
155.08487	10.2
156.09319	7.7
157.10104	27.1
158.10742	3.3
159.08093	6.4
159.11662	15.1
161.09584	4.4
163.11169	1.8
165.06982	5.2
166.07735	3.6
167.03313	3.0
167.08548	5.7
167.10710	1.8
168.09329	5.2
169.10101	14.7
170.10950	4.4
171.11690	14.1
173.09621	3.8
173.13202	12.4
175.11171	3.9
175.14838	1.6
179.08498	8.7
180.09337	4.0
181.10133	10.6
182.10905	7.3
183.11670	16.1
184.12315	3.8
185.09665	4.3
185.13274	6.7
187.11195	4.8
187.14793	2.8
191.14357	5.5
192.09367	3.3
193.10153	11.5
194.10928	7.1
195.11658	13.0
196.12404	4.3
197.13194	13.5
199.11234	3.4
199.14836	5.7
201.12723	3.1
205.10112	2.9
206.10919	5.0
207.11678	13.8
208.12457	7.8
209.13225	13.5
211.11211	5.1
211.14845	7.3
213.12772	3.6
217.10187	2.8
217.15874	2.6
218.10834	2.8
219.11691	6.9
220.12515	6.2
221.13194	11.4
222.13939	3.5
223.11299	2.6
223.14778	9.3
224.15364	1.9
225.12749	3.9
227.14291	2.7
231.11708	2.9
232.12447	3.5
233.13234	8.1
233.15416	6.1
234.14053	5.1
235.14850	9.1
237.16432	4.9
238.17087	1.6
241.15930	2.0
243.11548	1.8
245.13306	5.3
246.13885	2.8
247.14850	4.5
248.15636	2.7
249.16296	12.0
250.16812	1.7
251.14360	2.6
251.18005	4.0
253.15793	2.1
255.17245	2.4
259.14935	3.3
260.15768	2.8
261.16388	5.4
262.13562	1.8
262.16733	1.8
263.17926	5.7
264.18542	3.7
265.16086	1.8
265.19345	2.5
267.17346	4.1
269.18930	3.5
271.20538	2.5
273.16321	3.3
275.18024	5.6
277.16254	2.0
277.19455	3.0
279.17416	3.1
281.18954	3.0
282.19720	9.3
283.20438	4.0
289.19525	3.7
290.37808	1.8
291.17471	3.8
293.18857	3.7
295.20499	2.5
297.18530	4.7
307.20703	3.7
308.21295	4.4
311.20184	2.4
317.19159	2.9
329.22641	2.3
335.20056	4.8
355.24020	2.3
363.26843	3.1
373.25174	20.9
374.25381	2.1
391.15485	3.0
391.26273	100.0
391.36230	6.5
392.26733	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	0.5
55.05495	1.0
56.05009	0.4
57.07063	0.7
64.90385	0.3
67.05478	1.1
69.03400	0.7
69.07041	0.5
70.06579	0.8
70.96406	0.3
71.04994	0.4
71.08617	0.8
71.20290	0.4
72.08130	1.6
73.02882	0.4
76.02233	0.3
79.05472	1.3
81.03397	0.5
81.07033	1.2
83.04949	0.6
84.04497	0.6
84.08114	1.2
85.02888	1.1
85.06541	0.4
86.09689	1.2
88.02189	0.6
91.05451	1.9
93.04530	0.4
93.07048	1.8
95.04967	1.0
95.06049	0.9
95.08585	0.7
97.06502	0.6
99.04417	0.4
103.05419	0.5
103.13023	0.4
104.05283	0.4
105.07033	2.2
107.04942	1.6
107.08537	0.9
108.98209	0.3
109.06492	0.6
109.10129	0.8
110.07141	3.0
111.07468	1.0
115.05434	0.4
116.04958	0.6
118.06496	1.0
119.04894	0.4
119.08541	0.6
120.08092	1.4
121.02845	0.3
121.06471	0.9
121.10107	1.0
123.04428	0.4
123.07991	0.6
124.07576	0.3
125.09652	0.6
127.03868	0.4
129.06920	0.4
130.06528	0.4
131.08493	0.5
133.06427	1.0
133.10100	0.7
136.07570	0.5
137.05937	1.6
138.05382	0.5
145.10107	0.8
146.05992	0.6
147.04433	0.5
147.08044	0.4
148.07544	0.6
149.02315	6.5
149.09537	0.6
151.07492	0.7
152.07002	0.7
156.07686	0.6
158.05997	0.8
159.08020	0.7
159.09236	0.4
160.07494	0.5
161.05949	4.8
161.09586	1.4
162.08987	0.8
163.03841	0.7
163.07527	0.5
163.11140	0.4
164.07117	0.5
165.09044	0.8
166.08598	5.1
167.03264	0.6
167.06975	3.7
172.11162	0.9
174.05415	0.4
174.09158	0.8
179.42339	0.4
181.08533	0.9
184.07588	0.5
185.07027	0.4
186.09196	0.4
187.08653	1.6
188.07103	0.6
189.09045	2.7
190.08667	0.5
192.06625	0.5
193.08612	1.0
194.08054	0.7
196.07431	0.4
199.08653	1.3
201.10161	1.3
202.08621	0.5
204.10236	0.6
206.08130	0.6
207.10141	3.1
208.09692	0.8
208.14372	0.5
209.14850	0.8
211.09631	1.4
211.16904	0.6
212.07037	0.4
213.06522	0.8
213.10094	0.5
214.07263	0.9
215.08177	3.3
216.06403	0.5
217.13341	0.8
218.08183	1.2
219.10068	1.1
220.09682	0.6
225.06631	0.5
225.10236	0.7
226.08727	0.5
226.15422	0.7
227.07959	2.0
227.15823	1.1
228.08908	1.3
229.09679	4.6
230.08086	1.1
239.08040	2.0
241.09685	1.2
242.10310	0.5
243.07576	4.6
243.11302	1.5
244.09706	0.5
246.13322	0.5
247.08510	0.4
247.10782	2.1
248.09091	1.3
250.10809	2.0
253.09566	1.4
255.07596	1.9
255.11292	0.7
256.08429	1.6
257.09128	8.7
258.07565	1.3
258.09906	1.5
259.10724	0.4
261.12292	1.0
267.07623	2.4
267.10138	0.5
268.07877	0.4
270.09900	0.9
271.07098	1.6
271.10706	3.7
272.11398	0.7
272.16083	0.8
273.12183	1.1
273.16245	0.4
275.10236	0.7
276.08594	9.5
277.09070	0.4
281.09088	1.4
282.09793	0.5
283.07114	1.7
284.07852	0.9
285.08688	2.9
285.11813	2.9
286.09897	0.5
287.10229	0.6
289.11765	6.1
292.12878	0.5
295.10117	0.4
297.12274	0.6
298.09464	1.1
299.10208	9.1
300.10767	0.8
301.08148	1.3
302.08844	0.7
303.13278	1.1
313.11758	5.4
315.10065	0.5
315.13272	2.4
316.11151	0.7
317.11261	5.7
326.09045	0.5
331.12814	14.4
332.13168	0.7
338.13675	0.4
341.11203	4.3
344.10028	0.5
346.17587	1.0
359.12289	100.0
360.12689	5.2
373.19696	0.5
377.13321	10.8
391.14822	8.4
391.20447	5.8
392.15244	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05984	0.6
55.01881	0.8
55.05490	1.3
56.05030	0.8
57.07056	1.5
65.36106	0.6
67.05479	2.5
69.03409	1.6
69.07059	1.5
70.06584	4.6
71.04970	1.2
71.08595	1.1
71.52515	0.6
72.08125	2.1
75.34022	0.6
77.03947	1.0
78.04683	0.9
79.05480	3.9
81.03387	1.1
81.07038	5.9
83.04939	0.8
84.04508	0.9
84.08117	1.8
85.02886	1.8
85.06520	1.0
86.09677	2.6
88.02197	1.0
91.05465	8.5
93.07024	3.0
95.04948	2.8
95.08606	3.4
97.02851	1.0
97.06519	0.8
99.08071	5.1
100.07616	1.4
100.08347	1.0
103.05445	3.5
105.06993	5.5
107.04935	6.4
107.08554	1.9
109.06509	0.7
109.10120	1.8
110.07136	1.1
111.04441	1.1
111.08077	1.2
115.05441	1.3
117.06969	1.1
118.04144	0.9
119.04922	2.3
119.08562	2.4
120.04488	1.7
120.08010	0.7
121.06496	4.8
121.10145	1.8
122.06015	0.8
123.04394	2.0
123.08018	0.8
123.11691	1.7
124.07518	0.9
125.05970	1.1
125.09600	1.3
127.66167	0.7
128.06212	1.8
129.06958	5.8
130.06499	2.0
131.04881	5.0
131.08551	3.1
132.05666	1.3
133.06465	1.1
133.10086	2.8
135.08029	2.0
135.11659	1.1
137.05940	4.3
140.07062	1.1
142.08635	0.8
144.04424	1.6
144.05562	1.2
145.06473	1.8
145.10074	0.9
146.05983	7.7
146.07246	3.5
147.04369	1.7
147.07964	0.9
147.11627	0.9
148.05162	5.1
149.02315	9.2
149.05946	1.9
149.09584	1.2
151.03746	1.0
151.07535	3.5
151.11162	0.7
153.05405	1.3
157.06442	2.8
159.08061	1.2
161.05951	100.0
161.09572	22.3
161.48608	0.7
162.06387	1.6
162.09979	0.8
163.07503	5.0
164.06993	0.8
165.06870	0.9
165.09100	1.8
167.07014	19.1
167.08421	0.7
171.07996	1.0
174.05547	3.9
174.06702	4.0
175.07497	5.8
175.14799	2.1
177.05447	2.2
177.09082	1.8
179.06992	1.3
179.08434	0.7
180.07745	0.9
181.08534	11.8
189.09070	57.9
190.04984	3.6
190.09389	1.5
191.06981	3.8
192.06383	0.8
192.07896	0.8
193.15776	3.2
194.16130	2.0
195.08058	1.6
195.09969	0.7
201.09013	0.8
204.06525	13.7
206.08113	6.5
207.10120	70.5
208.10426	2.2
209.07953	0.9
211.16982	0.9
219.08095	1.0
219.10092	1.7
223.07536	1.1
225.08992	1.6
229.14441	0.8
229.17993	0.8
236.08223	0.6
237.09090	1.2
250.07101	1.9
251.06918	0.9
251.10629	0.9
253.08557	1.2
257.11761	2.1
283.09564	1.3
283.13254	0.9
285.11179	3.6
297.11331	0.9
311.12830	1.9
313.10803	0.7
315.12427	2.6
317.10266	1.1
317.13660	5.7
327.12341	0.8
329.13797	1.2
331.15338	0.7
337.23734	1.0
337.91168	0.6
341.13828	0.9
343.15338	3.9
359.12271	1.3
361.16409	6.1
391.14462	1.2
391.19397	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.8
55.05486	0.5
56.05021	1.9
56.96553	1.4
57.03407	0.5
57.05799	0.6
57.07063	0.2
58.06332	0.3
58.06590	3.2
60.04509	0.4
65.03919	0.5
67.05466	0.3
68.05013	0.3
69.03410	0.8
70.06579	6.0
70.60635	0.2
71.04960	0.3
71.07381	0.3
71.53594	0.3
72.04504	0.3
72.08143	9.1
73.02562	0.2
73.02905	1.4
74.06071	0.5
79.05482	0.5
80.04987	0.4
80.79079	0.2
81.03397	0.6
82.06551	1.9
83.04966	0.5
83.06055	0.2
84.04488	8.9
84.08127	3.7
84.96035	0.3
85.02874	1.0
85.06493	0.2
86.06023	0.4
86.09196	0.3
86.09684	3.3
87.04428	0.2
88.02200	0.5
88.03934	0.5
88.07091	0.3
88.07616	4.2
89.03895	1.5
90.53505	0.2
91.05460	3.2
94.06532	1.3
95.04966	0.3
95.06043	0.4
96.04448	0.3
96.08083	0.3
97.02863	0.6
98.06053	1.4
98.09662	1.6
98.97573	1.4
99.04419	0.3
99.09200	0.5
100.07600	5.0
101.07127	0.9
102.05530	1.1
103.08703	0.4
107.04908	0.6
108.08121	0.3
109.02856	0.6
110.06017	0.3
110.07151	1.2
110.09653	0.3
112.07593	0.6
113.07069	0.8
114.05518	0.4
114.09129	0.8
115.08685	1.2
116.07050	0.4
116.98592	0.9
117.03355	2.6
118.08636	1.6
119.04927	3.9
120.08087	1.2
121.02875	0.3
121.06419	0.7
123.04377	0.4
124.07555	0.6
125.10682	0.3
126.09131	5.8
127.03891	0.3
127.08664	1.9
128.98569	0.5
129.10214	0.8
130.08618	6.0
131.00110	0.3
131.04948	0.3
133.06029	0.2
134.02711	0.4
134.99641	0.4
135.04399	1.9
136.04840	0.2
136.06084	0.3
136.07515	0.5
137.05974	1.6
138.05418	0.5
140.03377	0.7
140.06999	0.5
140.10637	0.4
142.08543	0.3
143.00131	0.3
143.11722	1.0
144.10172	8.1
145.02814	4.6
146.08070	1.2
146.99709	0.4
147.04376	11.6
148.04718	0.6
148.06010	0.8
149.02318	0.8
149.05949	1.3
151.03934	0.2
151.07523	0.4
153.05418	0.5
154.08586	0.3
156.10165	0.3
157.13400	0.3
158.11708	0.8
158.99683	0.3
161.01074	0.4
161.05956	0.7
163.03864	8.3
164.04202	0.6
165.09100	0.4
166.08612	0.7
169.09613	0.6
171.11292	0.4
172.09653	3.9
175.07487	1.0
177.00642	0.5
177.05431	6.3
179.07024	0.3
179.11736	0.2
180.10059	0.3
189.12268	3.0
189.16716	0.8
193.08522	1.2
196.05904	0.3
197.12857	0.5
201.12303	16.2
202.10768	0.3
202.12590	0.6
205.93614	0.3
214.07080	0.3
215.13884	0.9
221.01187	0.3
225.04355	0.4
228.12329	0.3
229.06102	0.4
229.15443	1.0
239.02266	0.4
239.09134	0.5
240.90231	0.4
243.17039	0.7
248.99106	0.3
257.03372	0.3
258.17953	1.2
259.16479	8.8
260.16879	0.4
260.19580	0.5
266.88336	0.3
267.00034	0.3
269.03369	0.4
269.10092	1.2
284.15997	0.3
286.17456	0.4
299.90295	0.5
300.89868	0.6
302.17102	0.6
302.20715	2.1
304.18594	9.3
309.08679	0.4
326.91461	1.6
328.22220	0.6
346.19601	2.8
346.23358	2.4
347.11899	0.3
355.89380	0.3
372.21191	2.2
372.91992	1.6
373.10214	0.4
389.94507	0.5
390.22244	100.0
391.11856	1.2
391.22534	5.1
395.02863	0.3
404.99628	0.3
413.03528	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22527	0.7
53.03902	0.7
55.01356	0.7
55.01840	1.2
55.05490	1.6
57.03423	1.4
67.05484	3.3
67.11947	0.7
69.03400	2.1
69.07045	2.7
69.17638	3.6
69.18059	5.2
71.04969	2.9
75.62119	0.8
78.65540	0.7
79.05471	2.2
81.07056	8.2
83.08578	1.2
85.02497	0.8
85.02898	8.4
86.09673	1.2
87.04447	0.7
88.02176	0.9
89.05996	1.7
90.01895	1.6
91.03938	1.0
91.05457	3.8
93.07025	6.6
95.04964	1.5
95.08590	11.6
97.02863	2.3
97.06537	0.9
98.20763	1.2
99.04429	1.1
99.08080	4.8
103.05447	1.6
105.07010	10.4
106.07308	1.0
107.04919	0.9
107.08581	9.0
109.02867	1.3
109.10136	3.1
110.07165	0.8
113.09624	2.6
119.08562	46.4
120.08886	1.8
121.10093	3.5
122.87251	0.8
123.04451	0.9
123.11691	3.6
127.03923	1.8
131.04890	3.0
131.08542	1.4
133.10109	78.3
134.10455	1.7
135.11668	20.0
137.05951	1.8
137.09604	1.4
145.04924	2.1
145.10049	1.6
147.11644	3.2
149.02269	0.9
159.11682	1.3
161.05968	5.8
161.09581	1.3
167.06982	3.5
173.13298	1.1
175.07436	1.2
175.14792	100.0
176.07819	1.7
176.15109	3.4
181.05037	1.0
181.08575	1.2
182.05325	1.6
183.06445	1.0
189.09064	3.2
192.14725	1.1
193.15845	24.1
194.52390	0.8
207.10098	3.1
208.06961	1.0
209.07961	0.8
210.15714	1.1
211.16893	54.6
212.17174	1.7
214.46422	0.9
219.10118	1.6
220.10422	2.2
231.77052	0.8
306.31122	0.8
340.12723	1.2
342.14020	0.8
372.15118	1.9
381.29364	0.8
390.16147	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	390.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.6
55.01852	1.9
56.40626	1.0
60.04516	0.9
61.02914	1.8
67.05473	1.6
69.03417	4.9
70.06584	5.8
71.05007	1.3
71.55103	1.8
72.08143	4.1
73.02887	1.1
79.05470	6.0
81.03401	3.4
81.05769	1.1
81.07052	1.6
82.06587	1.0
84.04485	2.0
84.08131	4.8
84.96548	0.9
85.02411	1.5
85.02889	13.4
85.06579	1.1
86.06055	1.1
86.09694	6.1
87.04472	1.2
87.10011	1.4
88.02209	1.3
88.03973	1.2
91.05466	6.2
93.07019	2.4
95.04972	1.8
95.08591	2.1
96.08109	3.5
97.02882	3.9
97.06494	1.5
99.04427	1.5
100.07595	1.6
103.05441	6.2
105.03416	1.2
105.07014	49.8
107.04951	2.7
107.08557	1.1
109.02865	2.6
109.06503	2.4
110.07118	1.6
111.08087	1.0
115.05429	7.2
118.04131	4.8
119.04945	6.7
119.08569	1.4
120.08078	1.3
121.06476	1.6
121.10102	1.0
122.06039	1.3
123.08034	1.7
124.07570	22.2
127.03900	3.0
129.10237	2.2
130.08577	1.4
131.04913	1.6
133.06471	47.8
133.10085	1.2
134.03598	1.2
136.07553	1.4
137.05949	4.3
138.09114	2.1
140.07077	2.1
142.08620	1.4
143.06015	2.9
145.02794	1.8
145.04915	3.5
147.04379	3.1
147.07979	1.2
148.04820	1.0
149.05959	1.8
151.07549	3.5
153.05362	2.1
161.05956	100.0
162.06346	3.1
163.03899	1.6
165.05420	1.4
165.09142	1.2
166.08609	1.2
167.07007	3.8
168.07622	2.2
177.05450	2.9
179.06949	1.3
180.08676	2.7
181.08606	1.0
193.08577	81.4
194.08936	3.6
196.07272	2.2
211.07649	0.7
211.09601	16.1
228.12282	2.4
246.17558	1.1
336.21637	0.9
391.15530	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17578	0.5
53.03929	1.7
55.01855	1.3
55.05490	1.7
56.05011	0.7
57.03417	2.5
58.99580	0.8
61.02911	0.7
67.05486	1.7
69.03402	1.8
69.07048	2.4
70.06584	6.6
71.01334	0.6
71.04983	1.8
71.53277	0.9
72.08150	2.8
73.02895	1.9
76.02209	1.8
79.05486	3.9
81.03391	1.3
81.07058	3.7
82.06550	1.1
83.04980	1.4
84.04477	1.9
84.08136	4.6
84.37605	0.6
84.94751	0.5
85.02897	8.1
85.06522	1.6
86.09702	4.3
87.00838	0.6
87.10035	0.6
88.02201	1.2
88.03976	0.9
91.05466	4.3
93.07023	2.4
94.07350	0.8
95.01317	3.6
95.04937	6.2
95.08595	2.3
96.05297	1.1
96.08920	0.7
97.02864	2.0
97.06508	2.1
98.06102	0.6
98.09732	0.8
99.04426	2.4
99.08101	1.0
100.07590	2.4
103.03920	0.9
103.05457	1.5
105.03373	100.0
105.07014	8.2
106.03711	2.1
106.07334	0.8
107.04922	1.1
107.08571	2.5
108.04438	0.6
109.02881	1.4
109.06486	2.1
109.10135	1.8
110.07131	1.1
110.10478	0.8
111.04428	0.7
111.08119	0.6
112.99528	0.5
113.02348	1.5
113.05941	0.6
115.05440	1.3
116.07078	1.2
117.03405	0.8
117.06995	0.6
119.04927	1.6
119.08559	2.1
120.08067	2.0
120.08842	0.8
121.06476	1.5
121.10123	1.7
122.02708	7.1
123.04425	3.2
123.08047	1.1
123.11719	1.2
124.07535	1.2
125.05978	3.8
125.09681	0.5
127.03892	2.6
129.10197	1.0
131.03369	1.6
131.04910	2.8
131.08521	0.8
133.06467	6.3
133.10104	2.1
134.02684	0.7
134.10406	1.3
135.04369	1.0
137.02402	0.5
137.05936	6.0
138.05499	1.4
139.11201	0.7
141.01802	5.9
143.07025	2.6
145.02831	2.0
145.04965	0.6
145.10115	1.7
146.06020	1.1
147.04414	3.2
147.08018	0.7
147.11705	0.7
148.04817	0.6
149.06000	2.0
150.06645	0.7
151.07526	0.8
153.05458	2.8
153.09015	0.9
154.05806	0.7
159.02838	1.0
161.05956	14.2
161.07242	1.0
161.09561	0.9
162.06660	1.1
162.13571	0.8
163.03900	1.1
163.07504	1.3
165.05510	1.3
165.06940	0.5
165.09071	1.1
167.07060	3.2
167.08319	0.9
171.66408	0.6
173.09564	0.7
174.13583	0.6
175.07576	0.7
177.05469	5.1
177.09082	0.8
179.06999	31.0
180.07410	0.6
181.05014	0.7
181.08572	1.4
184.09663	1.2
187.11125	0.5
189.09105	1.9
190.17532	1.3
191.07027	0.7
191.10634	1.1
191.14352	0.6
192.14651	0.9
193.08582	8.2
197.08057	39.0
198.08392	1.3
204.06525	0.9
205.08601	0.8
205.12268	0.9
206.08533	0.8
207.06509	0.9
207.10124	1.1
209.15225	1.0
210.15688	2.6
225.09174	0.7
228.12653	0.7
228.15817	1.2
250.10695	1.6
251.12901	0.7
253.08682	0.7
266.10144	1.0
287.01785	0.8
294.09384	0.6
299.01889	1.9
327.10684	2.3
330.11530	0.9
337.09128	0.8
340.09665	0.6
341.10211	2.1
373.12503	0.6
379.34201	1.0
386.04623	0.6
390.14389	1.0
390.19946	0.8
391.06522	1.6
391.14621	1.1
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	Turpinionoside E
Peak:m/z	Relative Intensity
53.03924	1.3
55.05496	1.9
56.45934	1.3
57.03409	2.4
59.04976	2.6
61.02900	2.5
62.77573	1.4
67.05479	7.0
69.03415	6.3
69.07040	2.9
70.91117	2.2
70.91456	3.0
71.04977	12.3
77.41176	1.3
77.69527	1.2
79.05460	1.6
81.03394	2.6
81.07039	9.6
82.49225	1.3
83.04956	1.5
85.02885	23.0
85.06542	8.3
91.05454	4.6
93.07015	17.7
95.04952	82.6
95.08581	8.9
96.05284	2.4
97.02857	4.2
97.06502	6.7
98.06752	1.5
99.04439	28.1
99.08079	10.1
105.07015	10.0
107.08566	22.5
109.02873	1.4
109.06504	5.3
109.10141	47.1
110.10444	1.9
111.08041	2.8
115.07540	5.7
119.08569	7.1
121.10123	7.0
123.08020	2.1
123.11684	17.1
125.09605	2.1
127.03908	3.0
127.07509	6.0
131.08536	9.3
133.10104	86.4
134.10419	3.1
135.08015	3.8
135.11676	1.7
139.11160	7.3
145.04950	3.0
145.10092	3.9
147.11641	2.6
149.13216	7.6
151.11151	19.0
153.09079	41.6
158.10892	3.1
163.14742	2.5
169.12213	12.4
171.09988	1.4
173.13239	33.1
174.13591	2.1
191.14278	43.7
209.15331	100.0
210.15730	6.0
227.16364	14.9
239.83101	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	389.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.3
55.01852	7.2
55.05498	11.7
56.05025	7.0
57.03421	11.6
58.06593	3.1
58.99566	3.6
60.04506	5.8
61.02913	5.9
67.05499	10.2
67.86648	2.7
69.03428	18.7
69.07051	9.9
70.06578	39.7
71.04981	11.8
71.52938	4.0
72.08144	68.7
73.02904	8.7
74.00649	4.5
74.06064	4.8
75.01543	2.8
79.05486	14.5
81.03419	14.7
81.07030	20.3
82.06557	8.1
82.57505	2.8
83.01323	3.9
83.04981	5.7
83.06090	5.0
83.08595	4.5
84.04474	19.9
84.08127	39.9
85.02889	41.8
85.06538	7.1
86.06090	2.7
86.09687	84.1
87.00776	4.4
87.04456	5.1
87.05564	4.8
88.02196	5.2
88.03979	6.0
91.05459	27.5
92.05795	4.9
93.07047	21.0
95.01362	3.3
95.04956	61.5
95.08592	15.5
96.04488	3.0
96.08128	7.1
97.02879	9.2
97.06504	25.4
99.04431	24.2
99.08067	6.2
101.48205	3.2
102.05527	8.5
103.05470	6.3
105.07021	23.2
107.04953	13.7
107.08578	25.2
109.02879	11.1
109.06515	29.8
109.10137	12.5
110.05987	3.9
110.07149	27.0
111.04424	5.6
111.07448	4.8
111.08090	4.7
112.08742	2.8
114.05478	4.1
114.09087	3.8
115.07549	3.8
116.07095	7.1
119.04912	17.9
119.08565	19.3
120.05283	8.8
120.06533	3.9
120.08074	14.0
121.02831	3.2
121.06490	9.0
121.10123	20.4
122.05998	6.3
123.04437	9.9
123.08058	20.0
123.11646	3.7
124.07558	28.0
125.09561	6.2
127.03931	14.2
129.06532	3.7
129.10229	13.8
130.04990	5.7
130.06497	3.9
130.08585	8.6
131.04869	7.4
131.08563	13.4
133.06454	10.1
133.10114	48.9
135.04414	6.1
135.08072	5.2
135.11707	4.3
136.07556	8.0
137.05969	22.5
137.09608	6.4
138.09082	8.6
139.07565	7.1
139.11176	4.0
140.07047	7.5
141.09070	4.4
142.08661	4.2
143.11774	9.5
145.02809	7.8
145.04965	4.9
145.10104	7.0
146.06076	4.2
147.04385	44.1
147.11673	26.1
147.24631	3.1
148.04730	34.5
148.05960	7.8
149.05960	9.3
149.09610	8.5
149.13245	6.2
150.05545	3.7
151.07533	5.8
151.11205	5.9
153.05475	7.8
153.09061	31.8
154.08569	3.4
156.07733	4.8
159.11299	4.6
161.05914	27.7
163.03922	19.3
163.11180	3.1
163.14848	7.3
165.09064	24.7
165.12720	5.0
166.08614	13.9
167.06982	21.2
168.07384	3.4
169.07581	5.4
171.11345	6.5
173.13196	22.9
175.04025	3.0
175.10872	3.7
177.05426	11.8
178.05847	8.2
179.03342	6.2
179.06998	8.7
180.03773	3.9
186.33716	3.1
187.10805	4.5
187.14442	4.2
189.09030	3.2
189.12399	3.4
191.06969	6.6
191.10651	3.2
191.14275	42.2
193.04996	4.0
193.08592	20.4
195.08089	3.3
197.12776	6.5
198.09177	4.8
201.12308	4.3
203.13966	4.9
204.06667	4.0
205.08534	4.0
205.11697	3.8
209.07985	3.1
209.15329	100.0
211.07587	3.9
211.09631	11.2
215.13965	3.0
216.12132	3.7
219.13437	5.7
227.16354	65.4
228.12389	7.3
255.11200	7.4
270.18344	3.7
275.64038	3.0
325.10818	4.5
330.13324	5.0
371.14801	4.7
389.12991	3.8
389.18707	29.3
389.23459	5.8
399.39273	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2163
Annotation	Debiloside B
Peak:m/z	Relative Intensity
53.03917	1.8
55.01851	2.1
55.05496	13.6
57.03419	4.2
57.07048	1.9
59.04973	2.2
61.02894	2.8
64.99171	0.9
65.03915	1.2
67.05488	7.4
69.03418	11.8
69.07046	7.8
70.06566	1.9
71.03868	1.4
71.04238	2.0
71.04989	4.5
72.08135	1.4
73.02888	1.6
79.05462	3.9
81.03396	4.2
81.07040	11.9
83.04963	28.1
83.06026	1.1
83.08603	7.8
85.02889	24.3
85.06524	6.4
86.09698	4.8
87.04436	2.1
88.02179	1.1
91.03922	1.0
91.05437	4.8
93.07011	6.4
95.04952	9.3
95.08594	6.3
97.02858	7.4
97.06479	3.3
97.10147	4.2
99.04440	5.4
99.08076	4.4
103.05435	1.3
105.07001	5.0
105.98257	0.9
107.04939	1.6
107.08569	16.2
109.02843	3.7
109.06503	5.8
109.10134	45.7
110.07145	4.1
110.10438	1.3
111.04414	1.2
111.08043	3.5
113.05993	5.1
115.07559	0.9
117.06998	0.9
119.08546	4.3
120.08081	1.1
121.06470	1.2
121.10147	6.0
122.06040	1.1
123.08018	2.2
123.11676	18.8
124.07528	1.7
125.09602	13.0
127.03900	4.2
127.07539	1.7
127.11150	3.8
131.04944	1.1
131.08521	3.0
133.06525	1.0
133.10115	16.7
135.08008	2.2
135.11635	1.5
137.05920	1.8
137.09624	5.2
139.11121	1.8
145.04909	2.5
145.10060	2.4
147.04393	2.1
147.11679	2.2
149.09566	3.9
149.13226	4.5
151.07501	1.1
151.11148	21.0
153.09004	4.1
163.14748	1.8
165.09102	4.2
167.06993	1.4
167.14282	29.5
168.14647	1.0
169.12204	84.0
170.12579	2.7
173.13229	6.7
175.07491	5.1
177.05589	1.0
179.06961	1.2
183.13835	1.0
191.14250	7.7
195.10228	1.4
195.94032	0.8
199.63945	0.9
206.04372	1.0
207.06525	4.2
208.07198	1.0
208.14163	1.3
209.15321	100.0
210.15663	4.0
219.10132	2.5
226.15338	2.1
227.16368	39.7
228.16663	1.0
251.16428	1.3
259.10855	0.9
265.09653	1.0
328.20493	1.0
339.09552	1.1
357.10541	2.1
372.18951	1.9
372.23404	1.5
389.13165	3.0
389.17844	1.5
390.20361	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	389.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19923	2.7
51.04743	2.8
55.01858	10.1
58.40852	2.4
59.23429	2.6
65.03936	18.5
67.05489	7.7
69.03410	3.9
69.18951	32.4
69.30800	3.0
72.64819	2.5
79.05490	5.8
81.07030	8.2
82.04186	6.3
84.25901	2.8
85.02872	6.1
91.05406	5.2
93.03385	9.9
93.07027	6.9
95.04973	7.0
95.08599	6.2
97.06507	3.2
103.05470	4.4
105.06998	4.0
107.04919	6.2
107.08628	4.5
110.03664	21.9
111.04406	15.2
119.04822	3.0
121.02852	13.7
121.06464	6.5
123.04389	6.2
123.08014	4.5
125.05974	24.0
129.06987	5.4
131.04861	9.0
131.08569	2.6
133.10176	4.7
137.05939	12.5
138.03189	3.4
145.06439	4.8
145.10051	2.7
147.04399	3.9
149.02299	8.2
151.07538	10.6
153.05432	40.0
153.06683	4.5
159.07997	4.8
161.05804	3.4
161.09612	3.2
165.06964	2.7
165.09128	4.1
167.07045	13.6
173.05940	4.4
174.06693	2.9
175.07524	25.2
177.05428	5.3
179.08549	4.2
181.04930	25.0
181.06372	5.9
182.07265	3.8
183.06549	6.9
187.07466	4.5
195.08060	8.4
195.10017	5.4
197.05986	6.4
197.09528	3.5
201.09093	6.1
206.07204	4.0
207.06459	4.3
209.06204	2.9
209.08043	12.4
210.06644	6.1
211.07529	5.1
212.08325	3.5
213.09145	3.8
214.46475	3.1
217.08643	3.1
219.10117	61.7
220.58948	2.8
221.09560	6.4
222.06763	4.2
223.07518	6.6
224.08345	6.0
225.05476	4.5
225.09026	8.7
227.06972	6.8
233.09592	4.0
234.06767	4.0
235.07428	4.6
237.09132	7.6
238.06187	7.5
238.09877	9.2
239.06911	7.1
239.10602	4.4
240.07797	14.7
241.08646	6.8
246.95703	2.9
249.08928	3.2
251.06926	5.3
252.07768	7.3
253.08554	33.9
253.12206	11.3
254.09183	5.3
255.06541	5.7
255.10124	10.4
257.07968	8.6
266.09323	6.1
267.10181	6.9
268.07135	6.7
269.08084	9.9
270.08807	6.6
277.08609	3.3
279.06702	3.0
279.10080	3.3
281.08072	9.0
281.11649	10.4
282.08667	5.5
283.09525	20.1
284.10403	6.6
285.11142	8.5
294.08786	3.3
295.09534	8.0
297.11118	5.1
298.12015	5.0
299.12668	19.6
300.09845	6.5
309.11133	18.8
310.11945	5.3
313.10620	25.9
313.14261	13.1
314.11069	4.0
327.12192	99.7
328.12704	8.2
331.15399	11.0
339.12039	6.0
341.13770	17.6
359.14807	100.0
371.14728	9.7
389.16074	24.0
391.85596	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	389.1588
Annotation	Dihydrosinapyl ferulate
Peak:m/z	Relative Intensity
54.96792	1.2
55.01865	40.5
62.31533	1.1
65.03928	10.8
67.05487	5.3
69.03414	1.7
69.07053	2.7
70.06599	2.2
71.04990	1.9
71.08227	2.1
72.28146	1.1
78.04720	1.2
79.05487	6.3
81.07057	2.5
82.04172	3.8
85.02901	9.3
91.05446	6.3
93.03408	3.2
93.07037	4.6
95.04947	12.7
95.08598	4.4
97.02873	1.6
97.06503	3.7
103.05459	13.4
105.07011	3.6
107.04940	9.5
107.08554	3.2
108.02058	1.9
109.06550	1.7
109.10127	4.0
110.03664	5.8
110.10503	1.1
111.04442	3.3
115.05453	2.4
117.07012	4.2
119.04922	2.1
119.08591	1.7
121.02861	2.2
121.06509	6.4
121.10135	2.6
122.03639	3.4
123.04453	5.6
123.08034	1.6
123.11687	2.1
124.05242	1.1
125.05967	4.9
128.06227	3.4
129.07001	9.0
131.04912	20.4
131.08539	2.8
133.06511	2.1
133.10120	4.5
135.08043	2.1
137.05962	36.0
138.03093	2.8
138.06320	1.3
140.04663	2.2
141.06985	1.5
142.02631	2.3
145.06476	5.7
147.04361	3.2
147.11726	1.5
149.05975	9.6
149.09695	1.3
151.03896	1.7
151.07538	4.9
153.05431	4.6
153.09100	2.9
155.07062	1.8
157.06442	9.6
158.07198	1.2
159.04448	1.7
159.08043	1.4
160.05167	2.8
161.05968	4.4
163.07518	7.6
167.07019	30.0
171.06487	7.1
173.05969	2.1
173.13297	3.2
174.06757	4.7
175.07530	25.3
177.05452	35.2
177.09099	2.6
181.04929	100.0
182.05301	2.7
183.06519	6.2
187.07529	3.0
188.08409	2.6
189.09044	13.6
191.07057	2.7
191.14268	1.8
195.10188	4.8
201.09119	3.6
205.08603	2.5
207.06503	2.1
209.08069	61.4
209.15375	4.4
210.08546	1.7
217.06529	1.8
217.08537	11.4
218.07271	2.2
219.08092	3.1
219.10101	16.8
221.08037	2.7
233.09732	1.3
234.06718	2.3
235.09602	2.1
240.07936	1.8
246.06870	1.8
247.07527	2.5
249.09102	3.5
253.08618	2.1
255.10181	1.3
261.09134	3.4
266.09192	1.3
277.08624	8.3
278.09329	3.2
279.10178	2.8
293.11948	1.6
295.09631	1.6
297.11264	1.5
309.11295	3.4
311.12833	1.3
313.10901	1.6
321.11172	3.9
327.12201	7.4
339.12256	9.9
340.12909	2.2
341.13885	4.5
353.13879	3.9
359.14880	9.5
371.14835	16.4
371.19183	2.0
389.15921	74.8
390.16254	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	389.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47280	0.3
55.01853	0.9
55.05502	1.8
57.03417	1.4
58.70332	0.3
59.04999	0.3
60.46820	0.3
64.49375	0.3
65.03923	1.6
67.04056	0.4
67.05499	0.6
69.03407	1.4
69.07040	1.1
70.06585	3.1
70.21244	1.0
71.01361	0.5
71.04980	0.6
72.08137	3.5
73.02892	0.9
75.04469	0.4
79.05470	0.9
81.03367	0.5
81.07026	1.2
82.06555	0.5
83.01331	0.4
83.04960	1.3
83.08591	0.7
84.04483	1.1
84.08131	2.9
85.02890	4.4
85.06525	0.5
86.09690	4.2
88.03989	0.4
89.05997	0.7
91.05471	1.5
93.07015	1.2
95.01331	2.2
95.04963	2.4
95.08584	0.9
97.02872	0.6
97.06502	0.9
99.00797	0.6
99.04436	0.6
101.07182	0.3
103.03895	0.6
103.05479	0.4
105.07008	1.3
107.04920	1.3
107.08564	1.6
109.02881	0.5
109.06499	1.5
109.10148	0.6
110.06005	0.5
110.07161	0.6
111.04412	1.7
111.08062	0.9
113.02346	1.2
115.07539	0.4
116.07063	0.8
117.03320	0.5
119.04919	1.2
119.08569	1.0
120.04442	1.6
120.05228	0.5
121.02843	100.0
121.10130	1.3
122.03181	1.9
123.04415	1.4
123.08087	0.6
124.04743	0.5
124.07572	1.0
125.09601	0.4
127.03867	0.6
129.10210	1.0
130.06503	1.1
130.08543	0.5
131.03374	0.5
131.08534	0.7
132.04439	0.7
133.02832	0.9
133.10120	1.6
134.08937	0.4
135.11664	0.5
136.07600	0.8
137.05952	1.5
138.05501	1.4
139.03883	1.0
139.05791	0.7
140.07068	0.5
141.01790	4.4
141.05525	0.5
145.02846	0.7
146.05978	0.9
147.03308	0.6
147.04358	3.2
147.07785	0.5
147.11679	0.7
148.04744	2.4
148.27422	0.4
149.05945	0.5
151.03893	0.5
151.07518	0.5
151.11182	0.8
153.09045	0.9
157.07550	0.5
157.13283	0.4
159.02872	0.9
161.05971	0.6
163.03893	0.9
165.09180	0.4
167.06966	1.9
167.14264	0.6
169.07483	0.4
170.09590	0.8
171.10104	0.8
173.13252	1.1
177.05450	1.4
178.05794	0.6
178.39923	0.4
179.03331	0.6
180.03720	1.4
185.12831	0.6
191.14267	1.4
195.06500	5.1
198.09117	1.6
205.11729	0.5
209.13733	0.9
209.15363	4.8
210.11162	0.4
210.14151	2.0
212.09216	0.7
213.07549	10.2
213.09486	1.2
215.13747	0.4
227.16405	3.1
257.09134	0.9
266.74472	0.4
277.50806	0.4
372.10242	0.4
389.17563	1.1
414.33325	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.5
55.01859	14.9
55.05495	3.5
57.07063	1.6
61.02909	1.3
65.03922	5.0
67.05488	6.8
69.03419	40.6
69.07048	8.9
69.94212	6.5
70.06573	4.0
71.04977	3.7
79.05489	8.4
81.03400	2.6
81.07039	9.6
82.04173	1.3
83.04976	4.8
83.08598	2.4
84.04501	2.0
84.08135	2.4
85.02896	13.6
85.03372	2.0
85.06524	3.5
85.15295	1.1
86.03246	1.6
86.09699	7.7
87.09956	1.3
88.02191	1.5
89.57133	1.5
91.05460	8.0
92.05773	1.4
93.07030	7.7
95.04951	10.3
95.08582	10.3
97.02877	1.8
97.06516	5.3
99.04438	2.9
103.05446	9.5
105.00082	4.2
105.07014	11.3
106.46029	1.4
107.04930	5.0
107.08576	18.9
109.02842	1.9
109.06477	7.2
109.10143	5.7
110.03671	2.1
111.04456	3.2
111.08060	4.3
115.05453	1.3
117.03331	1.5
117.07034	2.6
118.33430	1.5
119.04922	3.2
119.08595	8.1
120.08121	2.1
121.02823	2.2
121.06475	5.5
121.10114	12.6
122.03587	2.3
123.04382	3.1
123.08083	5.1
123.11665	11.6
125.06005	2.3
125.09603	21.3
129.06964	5.4
131.04909	11.1
131.08537	7.4
133.10103	13.8
135.08044	12.7
135.09001	1.8
135.11668	5.7
137.05965	20.2
137.06958	2.5
138.06313	2.4
139.11070	1.7
143.08525	2.9
145.02809	2.7
145.04974	2.5
145.06445	3.5
145.10080	3.9
147.04361	2.5
147.07991	1.6
147.11685	4.2
149.05960	5.7
149.09596	7.3
149.13239	3.6
151.07513	2.8
151.11159	2.8
153.05424	3.1
153.09065	8.1
157.06447	3.6
158.10797	3.1
159.08051	1.9
161.05946	1.3
161.09560	1.8
163.07491	6.3
163.11168	2.6
163.14803	5.0
165.12741	3.1
167.07011	16.4
168.07314	2.6
169.12151	2.4
171.06477	4.6
173.13222	22.3
174.06758	2.1
175.07527	11.4
177.02158	1.8
177.05452	21.1
179.07120	1.8
181.04927	30.9
181.06500	1.7
183.06502	3.1
187.07466	1.5
188.08324	1.3
189.09087	5.7
191.06992	2.1
191.14273	76.0
192.14601	2.1
195.10184	2.9
201.08943	1.8
205.08495	1.7
207.06482	4.1
207.13670	2.4
208.07181	1.7
208.14125	3.9
209.08081	19.7
209.15332	100.0
210.15598	3.4
217.08594	5.0
218.07246	1.4
219.08195	2.4
219.10074	9.4
221.08026	1.5
226.15193	2.8
248.08183	1.6
251.06917	1.7
253.08333	1.7
261.09082	1.7
263.06854	1.5
277.08594	3.6
297.17911	3.6
301.38678	1.6
307.16327	2.4
309.11011	2.0
311.10046	1.3
325.17374	9.7
327.12274	3.5
329.11111	3.1
339.12250	3.2
341.13824	1.5
353.13464	1.4
359.14847	3.6
371.14761	5.6
371.18573	2.7
388.01407	2.1
388.10629	1.6
388.15036	3.2
388.20432	21.8
389.16129	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95563	0.6
55.01875	0.8
55.05479	0.8
56.12870	0.7
56.81633	0.6
57.03418	1.5
59.04990	6.3
60.57317	0.6
61.02891	1.3
65.03934	0.7
67.05490	1.5
69.03410	3.6
69.07043	0.9
69.82338	0.7
69.88254	1.3
69.88667	2.9
70.06583	5.3
71.04991	0.9
72.08124	3.0
73.02889	1.7
77.03934	1.3
77.66729	0.6
79.05471	1.0
81.03395	1.9
81.07034	0.8
82.06564	1.0
83.04971	1.2
83.06055	0.7
84.04465	3.2
84.08128	3.7
85.02889	10.8
85.06493	0.7
86.09705	4.0
87.04467	1.1
88.02196	0.8
89.06016	58.5
91.05489	3.7
91.26817	0.7
93.07009	1.1
95.01308	1.1
95.04949	3.8
97.02883	4.0
99.04411	1.2
101.02343	1.7
102.05503	0.6
103.07544	2.9
105.03360	2.3
107.04920	3.0
107.07040	4.1
107.08562	1.2
109.02836	1.2
109.06474	1.3
110.06008	1.9
111.04410	0.9
113.02348	1.2
117.03355	2.1
118.03645	1.3
119.04915	5.7
120.04453	9.0
120.08138	1.1
121.02846	38.2
121.06450	1.1
121.10105	1.1
122.05981	1.0
123.04409	8.5
127.03870	2.0
129.10246	1.2
130.04942	1.1
130.06496	1.0
130.08606	2.6
131.04916	0.8
133.02834	9.1
133.06178	0.8
133.08578	10.7
133.10143	1.2
135.04359	1.4
136.07518	1.7
137.05949	1.0
138.05469	9.1
139.03883	0.8
140.07033	1.6
141.01831	1.2
145.02826	3.2
145.04985	0.9
146.03122	2.7
146.05995	2.0
147.04385	20.6
147.06242	0.9
147.07718	0.6
148.04732	1.3
149.05984	1.3
151.03844	2.0
151.09633	41.9
152.09903	0.7
161.02267	3.5
163.03897	1.2
164.07050	0.8
167.07004	5.0
168.07379	4.4
170.02658	2.3
177.05437	6.6
178.05827	4.6
179.03368	17.2
179.05779	0.9
180.03786	1.1
182.08035	1.3
191.12746	1.1
194.08110	1.1
195.06477	2.7
195.11378	0.7
198.09048	1.6
208.14207	0.7
209.13799	100.0
210.14114	3.8
212.09178	5.4
213.07578	4.3
213.09392	1.1
226.83827	0.7
259.07358	1.1
353.04898	1.0
388.11542	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1607
Annotation	benzyladenine-7-N-glucoside
Peak:m/z	Relative Intensity
53.03938	0.4
55.01862	0.3
57.03425	0.7
59.04971	0.3
61.02908	1.0
65.03934	0.7
67.05465	0.4
69.03418	2.7
69.21325	3.0
70.06580	0.7
71.04964	0.2
72.08148	0.6
73.02886	0.4
79.05487	0.4
81.03400	0.7
81.07012	0.5
84.04369	0.2
85.02888	3.3
85.06489	0.3
86.09695	0.3
87.04453	0.6
91.05464	61.5
92.05785	1.3
93.07013	0.5
95.04958	0.6
95.08593	0.6
99.04488	0.3
105.07017	0.9
107.08552	0.5
109.02868	0.4
109.10131	0.5
111.04428	0.4
119.04952	0.4
119.08540	0.3
121.10140	0.4
123.08074	0.6
124.08401	0.3
127.03894	1.0
131.04878	0.3
131.08539	0.4
133.10106	0.7
133.54344	0.3
135.08090	0.4
137.05934	0.3
145.04970	0.4
148.06200	1.4
149.09573	0.3
151.07521	0.7
153.05536	0.3
163.11166	0.3
164.11479	0.4
167.07050	0.4
175.07521	0.3
177.05359	0.3
190.13226	0.3
191.10657	0.3
191.14197	0.3
204.24791	0.2
207.13750	1.1
208.14093	2.7
209.08138	0.6
209.15314	0.5
219.07780	0.4
219.10086	0.2
220.08379	0.5
226.10837	100.0
227.11130	3.9
235.07347	0.3
248.07851	0.5
260.08002	0.3
278.08908	0.3
280.10422	0.3
308.09985	0.5
320.10120	0.4
324.09631	0.4
339.12137	0.7
358.13773	0.3
370.13687	1.5
388.16068	50.0
389.16611	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	388.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.8
54.64879	0.5
55.01854	1.6
55.05498	1.2
56.01839	0.5
57.03424	2.9
59.04987	0.7
67.05486	2.6
69.03416	6.1
69.07047	1.2
70.06580	4.0
71.04969	1.7
71.52495	1.1
72.08150	0.6
73.02900	0.8
75.04456	5.0
78.02377	0.6
79.05472	6.4
81.03399	2.5
81.07049	5.1
83.04971	1.2
84.08139	3.7
85.02892	14.3
85.06547	0.8
86.03235	0.5
86.09686	6.9
87.00811	4.0
87.04414	1.0
88.02196	0.6
91.05470	5.2
93.07027	31.2
94.06521	0.5
94.07366	0.8
95.01317	4.8
95.04948	4.7
95.08590	2.9
96.08930	0.8
97.02876	12.4
97.06497	1.5
98.03206	0.7
99.04446	2.2
103.05454	3.9
105.01849	10.9
105.07012	100.0
106.07330	3.0
107.04948	1.4
107.08569	4.6
108.04480	0.7
108.08961	0.6
109.02847	2.7
109.06509	1.5
109.10110	1.3
110.07076	0.5
111.04396	0.6
111.08064	3.9
113.02344	6.3
117.07007	0.5
119.04919	2.4
119.08563	3.3
120.05245	0.7
120.08111	0.6
120.08911	0.9
121.06476	2.0
121.10123	31.1
122.09634	1.5
122.10460	1.2
123.00771	8.2
123.04397	0.7
123.08064	2.3
123.11656	0.8
125.02328	0.8
125.06004	1.2
127.03890	7.7
129.06989	1.0
130.08609	0.9
131.04988	0.7
131.08562	2.3
133.06462	0.5
133.10114	2.9
134.33525	0.6
135.08075	1.5
135.11649	1.3
137.05960	1.5
137.09570	0.7
139.03850	0.6
139.07523	0.6
139.11151	5.5
141.01796	4.7
143.03378	4.4
143.08569	1.0
145.04936	7.1
145.06105	0.9
145.06337	0.7
145.10127	1.3
147.04388	3.6
147.08017	1.3
147.11681	1.7
148.12016	1.1
149.02347	1.0
149.09589	4.3
151.07503	4.6
151.11191	0.8
152.07883	3.0
153.09087	0.6
159.02913	1.3
163.07536	1.1
163.11183	2.3
165.09116	0.8
165.12733	1.0
166.08556	0.6
166.13100	0.7
167.07002	1.1
167.10651	19.4
168.11020	0.8
169.01291	5.4
169.08617	0.7
173.13260	1.6
175.07507	3.1
185.09697	0.7
187.02388	2.3
187.07478	0.7
191.10600	1.2
191.14307	1.1
195.08055	1.0
199.38525	0.5
207.06532	1.6
207.13820	1.3
208.14163	2.9
209.11627	0.5
209.15367	1.9
211.09789	0.6
213.09044	0.9
219.10216	1.8
220.05290	0.6
225.14682	0.8
226.14922	0.6
231.04991	4.3
238.14345	1.4
249.06044	3.2
262.49905	0.5
265.09744	0.9
266.13913	0.7
267.12228	1.0
272.00571	0.5
289.10785	0.9
293.09302	0.9
324.49689	0.6
335.11246	1.0
339.09247	0.7
339.12863	0.6
388.15314	1.8
388.20731	1.3
388.27390	0.8
389.13467	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	388.123
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84048	0.3
55.01845	0.7
55.05494	0.6
56.05018	0.4
56.24013	0.3
57.03420	0.6
65.03916	1.0
66.40694	0.3
67.05491	1.0
69.03413	0.9
69.07034	0.6
70.06577	2.8
71.04972	0.4
71.52406	0.5
71.52808	0.4
72.08147	2.0
73.02900	0.6
75.99624	0.3
79.05457	0.5
81.03392	0.6
81.07027	1.2
82.06525	0.5
83.06085	0.5
84.04466	0.9
84.08132	2.7
85.02896	2.0
86.09684	3.0
86.10215	0.4
87.04436	1.1
88.02234	0.6
89.03886	0.4
89.72291	0.3
91.05470	9.6
91.92175	0.4
93.07021	0.7
94.06539	0.7
95.04969	1.7
95.08557	0.5
97.02879	0.5
97.06521	0.3
99.04425	0.6
100.07578	0.5
102.05534	0.5
105.03368	0.7
105.06994	0.7
107.04926	1.8
109.02899	0.6
110.07133	3.8
116.07086	0.7
116.51723	0.4
117.03354	0.8
119.04923	24.0
119.08553	0.7
120.04446	1.4
120.05254	0.5
120.08117	0.6
121.10177	0.4
122.02671	0.7
122.06013	2.2
123.04420	3.9
124.07545	0.5
127.03889	0.9
129.10220	1.2
130.08604	0.6
131.04892	0.8
133.02803	2.5
134.05986	0.4
135.04424	0.7
135.97357	0.4
136.07587	1.8
137.05977	1.1
138.09097	0.6
140.07010	0.9
145.02841	1.8
145.04985	0.5
146.03180	0.8
147.04382	100.0
148.04759	2.7
149.06009	0.6
150.06755	0.5
151.03857	0.4
151.07507	0.6
152.06944	0.4
153.05441	3.8
153.10190	0.4
154.08557	0.5
156.07712	0.8
161.02306	1.0
163.03842	2.4
164.07068	1.4
167.07010	3.4
168.07388	2.9
175.07431	0.4
177.03990	0.5
177.05424	3.4
178.05814	1.7
179.03349	5.5
182.08058	0.5
186.08644	0.5
194.07983	0.5
195.06447	1.7
203.03438	0.5
207.06430	0.5
210.05515	0.4
220.09705	0.5
226.14442	0.5
260.40067	0.4
277.03305	0.4
321.05743	0.5
339.07190	0.7
370.02759	0.4
388.14566	0.5
388.18719	2.8
407.03442	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99695	1.2
53.29759	1.2
53.49928	1.3
55.01860	2.9
55.05497	3.7
56.05851	1.3
60.21265	1.2
67.05484	6.0
69.07058	2.7
71.54343	2.2
71.54723	1.7
79.05477	4.0
81.03409	3.4
81.07039	5.8
83.04977	1.5
83.08615	1.7
83.98043	1.2
87.04482	2.5
88.18431	1.2
91.05472	8.3
92.05814	2.5
93.07032	4.5
94.46433	1.1
95.04947	3.7
95.08607	3.9
96.08929	1.7
97.10109	1.2
104.04960	9.2
105.05762	20.1
105.07011	5.4
106.06577	2.3
106.07337	2.8
107.04966	1.8
107.08582	2.1
109.06486	3.4
109.10126	2.6
111.04404	1.8
115.82117	1.3
117.05722	2.8
117.07028	3.2
118.06538	6.0
119.03678	8.2
119.08583	2.7
120.04451	11.7
121.06477	4.1
123.06795	3.7
129.06996	3.0
129.09013	1.2
130.02846	2.0
130.07339	1.7
131.08568	3.1
132.04416	15.8
132.08853	3.2
133.05212	32.8
133.10127	3.2
134.02351	1.6
134.06024	8.4
134.10368	1.6
143.08531	2.5
144.08916	1.5
145.10106	2.9
146.05954	3.0
146.10425	1.8
147.11571	1.4
148.03859	1.8
149.04695	39.7
149.05902	2.5
155.08568	1.6
157.10103	2.1
158.10463	2.5
161.68721	1.2
162.05479	20.7
163.06258	100.0
164.07042	49.6
171.11613	2.3
173.13261	1.4
174.05597	1.5
179.28610	1.3
185.13177	1.6
194.08096	56.1
195.08449	1.8
196.12109	1.5
198.10194	1.3
211.93813	1.3
212.83650	1.3
216.14505	1.4
243.07899	1.4
296.05774	24.4
297.06219	1.8
309.24130	2.3
324.05215	1.8
328.23615	1.9
342.24875	2.5
347.52948	1.4
352.23492	3.0
353.26865	1.9
370.24442	17.7
388.25583	34.3
388.35724	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	388.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.6
55.01846	2.3
55.05486	1.5
56.05004	0.6
57.03411	1.6
61.02866	0.6
63.29710	0.5
65.03930	1.1
67.05480	2.6
68.05829	0.5
69.03398	2.3
69.07040	1.8
70.06580	3.8
70.24400	0.5
71.04976	1.6
71.54345	0.8
72.08130	1.4
73.02894	0.7
79.05467	2.6
81.03389	1.9
81.07048	2.8
83.04980	1.1
84.04483	0.8
84.08132	3.0
84.14250	0.5
85.02893	5.5
85.06490	1.1
86.03205	0.6
86.09689	3.8
87.00756	0.6
88.02221	1.3
91.05460	4.4
93.07013	2.6
94.06531	0.7
95.04956	3.7
95.08578	1.3
99.04478	0.8
103.05453	0.7
105.07014	20.6
107.04933	1.0
107.08561	1.9
109.02818	1.1
109.06470	1.3
109.10127	1.2
111.04422	0.9
111.08044	0.8
117.07043	0.9
119.04917	5.4
119.08542	2.0
120.04411	0.8
120.08057	1.1
121.02852	1.4
121.06510	1.1
121.10096	2.5
122.02675	0.8
123.08025	2.5
124.07545	1.0
124.08351	1.5
125.05989	1.1
125.09564	0.6
127.03876	1.9
131.04904	1.8
131.08548	1.2
133.06474	0.9
133.10095	1.8
136.07524	0.7
137.05960	3.3
138.06314	1.1
138.09099	0.8
139.03864	0.8
140.04883	2.0
140.07031	0.7
142.08553	0.8
145.04942	1.3
147.04385	15.0
147.11671	0.9
149.05978	0.7
151.07509	4.5
152.07841	2.4
152.67519	0.7
153.01776	0.6
154.06549	1.0
155.04805	1.0
155.06007	12.0
156.10214	1.0
157.07634	0.8
161.09633	0.7
163.11208	1.0
164.11542	1.8
165.05444	1.6
165.12764	0.7
167.05852	3.5
167.07204	0.9
168.06863	1.3
169.07576	25.3
170.05975	2.1
170.07983	0.8
175.07567	1.6
177.05504	1.7
179.05975	8.3
181.04951	3.2
181.07544	2.5
181.12212	1.0
182.08403	1.3
183.05475	10.5
183.09120	1.0
184.06073	0.8
184.07532	0.9
185.07079	7.0
189.09120	0.9
191.14249	1.4
193.07555	8.6
194.06033	1.4
194.07822	0.7
195.03702	1.1
195.05498	23.1
196.06274	11.0
197.07063	18.3
198.05481	4.7
198.07355	1.1
199.04987	0.7
201.06592	1.7
203.10732	0.8
207.05470	5.5
207.13731	2.8
208.06207	1.2
208.14148	5.6
209.07094	2.4
209.15358	0.7
211.05016	2.4
211.08647	5.2
213.06546	17.6
214.06892	0.8
219.10052	1.1
221.07054	16.4
222.07520	0.9
223.04965	1.7
225.06541	39.9
225.14825	0.7
226.15082	0.9
227.08115	1.1
229.06033	15.2
237.06563	3.9
238.07262	4.4
239.04436	1.9
239.08113	18.8
240.08453	0.8
241.06030	3.3
243.07593	4.6
249.06572	6.0
249.11082	1.1
253.06062	5.6
255.07625	1.1
257.05521	5.0
265.06082	1.9
267.07574	12.8
269.05551	3.2
271.07077	28.8
272.07312	1.0
277.06018	8.9
277.08917	0.9
282.08929	1.1
283.06940	1.2
285.08649	28.3
286.09082	1.4
295.07086	28.5
296.06747	0.7
313.08096	30.1
314.08060	1.3
324.09613	2.9
328.09216	43.0
329.09586	2.6
331.09213	4.9
342.10736	2.4
352.09073	1.2
370.10260	47.7
371.10660	2.7
371.14780	1.0
388.11298	100.0
388.20151	4.9
389.11871	4.0
389.16284	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2522
Annotation	12alpha-Hydroxy-3-oxochola-4,6-dienoate
Peak:m/z	Relative Intensity
53.03928	2.1
55.01859	5.5
55.05500	12.1
55.07774	0.5
57.03417	1.8
57.07061	1.5
65.03920	1.8
67.05495	21.2
69.03421	5.0
69.06716	0.9
69.07056	10.6
71.01348	0.9
71.04984	2.2
73.02925	0.7
79.05479	16.5
81.03406	14.1
81.07040	20.4
83.04966	5.7
83.08611	5.0
85.02882	2.8
85.06532	1.0
91.05463	21.1
92.05799	0.5
93.06474	1.1
93.07029	18.1
95.01333	2.6
95.04955	8.5
95.08589	14.1
97.02865	5.3
97.06505	2.8
97.10151	3.6
99.04434	2.3
99.08061	0.9
103.05460	1.5
104.04977	2.0
105.03380	1.0
105.04521	0.9
105.05814	4.1
105.07007	23.3
106.06561	0.9
107.04939	5.4
107.08570	10.8
109.02874	1.6
109.06498	3.6
109.10139	6.6
111.04422	6.3
111.08072	1.2
113.05975	0.8
113.36111	0.6
115.03855	0.6
115.05423	2.1
116.06190	1.0
117.05727	0.7
117.07001	15.0
118.06502	1.3
119.03663	1.9
119.04907	0.8
119.08560	14.4
120.04480	2.7
121.02856	0.6
121.06480	5.1
121.10129	7.1
123.04412	5.2
123.06788	1.1
123.08070	1.9
123.11671	1.4
125.09606	1.3
128.06183	3.8
129.06985	15.7
130.02853	0.9
130.07765	1.3
131.04919	1.8
131.08543	21.2
132.04416	3.8
132.08844	0.8
133.05211	6.8
133.06470	5.7
133.10104	11.2
133.43660	0.5
134.06010	2.0
135.04420	1.1
135.08031	3.2
135.11658	4.2
137.05978	1.4
137.09537	1.0
141.06961	5.0
142.07790	3.8
143.08540	14.8
144.05669	1.1
144.09325	1.1
145.06473	5.3
145.10103	16.2
146.05981	0.8
147.04341	0.9
147.08008	5.4
147.11659	6.2
149.04701	10.1
149.05946	2.2
149.09602	1.7
149.13242	3.2
151.07507	1.9
153.06972	1.2
154.07697	1.0
155.08536	8.7
156.09261	1.4
157.06490	5.0
157.10097	14.1
159.08037	5.2
159.11656	11.1
160.08665	0.9
161.05983	2.8
161.09570	4.5
161.13228	3.3
162.05499	5.7
163.06258	23.6
163.07436	1.4
163.11154	1.3
164.07034	11.9
165.06911	1.5
165.09067	1.0
166.07698	0.9
167.08563	3.9
168.09311	0.8
169.06480	0.8
169.10071	7.2
170.10800	0.9
171.08029	5.2
171.11658	10.0
172.08789	0.7
173.05995	1.5
173.09612	5.8
173.13232	6.8
175.07535	3.4
175.11130	3.4
175.14857	1.3
177.09122	1.1
177.12767	1.8
179.08543	1.6
180.09326	0.9
181.10081	3.6
182.10887	1.0
183.08003	3.4
183.11650	6.8
184.08781	1.4
184.12430	0.9
185.09587	5.6
185.13210	7.5
187.07512	1.8
187.11136	4.3
187.14757	3.5
188.11786	0.6
189.09074	1.9
189.12701	2.5
191.10645	0.8
193.10065	1.8
194.08072	12.5
195.11644	3.4
197.09535	3.1
197.13216	4.6
199.11147	3.6
199.14792	4.6
201.09088	1.4
201.12730	2.5
203.10648	1.6
203.14259	1.4
204.11215	0.6
205.12140	1.3
207.11595	1.6
209.13200	3.5
211.11169	2.3
211.14769	2.9
213.12666	4.8
213.16380	1.4
215.10707	1.0
215.14319	2.5
215.17900	0.8
217.12215	1.1
217.15703	1.0
221.13200	1.7
221.15141	0.8
223.14792	2.2
225.12714	2.3
225.16394	0.8
227.14304	3.5
229.12276	0.8
229.15816	0.8
231.13869	1.5
235.14793	1.2
235.16905	0.8
239.14241	1.8
241.15767	1.4
243.13814	1.3
245.15436	0.7
253.15784	1.7
257.15262	1.2
259.17233	0.6
259.20480	1.8
261.22198	0.6
267.17545	1.0
271.17059	1.0
271.20551	1.9
273.18613	0.8
277.21616	3.8
283.20486	1.2
285.18372	1.0
285.22034	1.3
287.20053	1.1
289.21667	2.7
295.20279	0.7
296.05786	5.1
297.22083	2.2
299.20071	1.2
299.23672	1.8
301.18246	1.3
301.21625	2.4
303.22931	1.5
307.20480	0.8
309.21994	2.5
313.18115	0.8
313.21613	1.9
313.25058	0.7
315.23221	1.9
317.17624	1.1
317.21078	0.9
317.24567	0.9
323.20197	0.8
323.23685	2.2
327.23096	5.8
333.22095	1.8
339.23026	0.9
341.20822	1.4
341.24640	8.9
343.22687	1.6
345.24045	1.1
351.23114	14.4
351.27142	1.1
352.23587	0.9
357.24139	1.3
359.25839	2.3
369.24167	58.1
370.24353	4.4
383.37173	0.6
387.25226	100.0
388.25507	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	387.2006
Annotation	Staphylionoside A
Peak:m/z	Relative Intensity
52.03746	0.6
53.03930	1.5
55.01860	0.8
55.05497	3.5
57.03417	1.4
57.07072	4.4
57.49998	0.8
59.04977	2.7
61.02897	2.1
67.05487	3.1
69.03410	6.4
69.07050	2.7
69.10250	0.7
70.80818	0.9
70.81152	1.7
71.01329	1.6
71.04977	5.0
73.02895	1.4
79.05480	3.8
81.03403	2.4
81.07048	9.4
83.04972	6.8
83.08592	3.7
84.06733	0.7
85.02893	15.2
85.06523	4.1
91.05462	8.8
93.07022	4.0
95.04943	2.7
95.08598	7.4
97.02895	4.6
97.06511	28.7
99.04452	2.4
99.08071	6.9
105.07004	4.7
107.04933	1.2
107.08595	4.1
109.02834	1.0
109.06500	15.7
109.10130	2.6
111.08063	5.0
117.07022	0.8
119.08556	4.2
121.06493	2.2
121.10115	19.5
123.08042	100.0
123.11668	2.0
124.08422	2.0
125.05965	32.6
125.09609	1.0
127.03888	2.3
127.07510	5.4
129.09085	2.3
130.60576	0.7
133.10109	2.1
135.08031	1.5
135.11673	9.1
137.05991	1.3
137.09599	3.0
137.13229	23.1
139.11182	1.8
141.12726	0.9
145.04926	3.0
145.10100	1.3
147.08046	1.4
147.11681	2.5
149.09589	2.6
151.07527	8.6
151.11159	1.3
155.10622	5.1
159.11700	0.9
161.13251	2.2
163.11118	3.0
165.12675	1.2
167.07047	1.8
169.08554	1.1
171.11627	1.3
179.14278	52.0
181.12160	1.2
189.12730	6.0
207.13762	42.3
208.14156	1.4
225.14809	51.2
226.10829	11.1
226.15208	1.6
339.12070	1.0
351.17947	1.1
369.13379	1.4
387.14328	2.5
387.20041	3.7
388.15924	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.128
Annotation	Axitinib
Peak:m/z	Relative Intensity
53.03933	0.4
53.78996	0.2
54.47764	0.1
55.01868	0.4
57.03437	1.0
57.22535	0.2
59.04978	0.3
61.02892	0.6
63.14360	0.1
64.67727	0.2
67.01868	0.2
67.05463	0.2
69.03415	1.7
70.06567	0.7
70.17239	0.8
72.08158	1.0
73.02901	1.8
74.03233	0.5
78.04685	1.4
79.05473	1.3
81.03400	0.5
81.07050	0.8
83.04939	0.2
84.08147	0.3
85.02893	4.0
86.03223	0.6
86.09689	1.0
87.04449	0.3
91.03937	0.3
91.05462	1.1
93.07043	0.8
94.45232	0.2
95.01311	1.3
95.04941	1.0
95.08554	0.2
96.05709	0.2
97.02887	1.4
97.06519	0.2
98.03205	0.3
99.04457	0.3
103.05455	0.5
105.07005	1.6
106.04160	0.9
107.03339	0.2
107.04950	1.3
107.08578	0.3
109.02861	0.5
109.06473	0.4
110.07142	0.4
115.03876	0.8
116.04247	0.3
119.04932	0.3
119.08555	0.6
120.04480	0.3
121.06484	1.1
121.10136	0.5
122.06028	0.2
123.03557	0.3
123.04405	3.8
123.08022	0.6
124.05195	1.5
125.05982	0.4
127.03884	0.9
128.04199	0.2
129.01866	0.2
131.08517	0.2
133.04932	0.2
133.06470	0.8
134.03609	0.3
135.04404	0.2
137.05951	0.4
140.04710	0.2
141.01788	0.6
145.02849	0.2
145.04956	1.2
146.05238	0.8
147.04378	0.7
149.05954	1.4
151.03859	0.7
151.07532	1.2
152.04681	1.0
153.05463	0.2
155.06961	0.2
161.05919	1.2
161.13210	0.2
163.06067	0.9
163.07249	0.2
163.11154	2.2
163.12358	0.2
163.54686	0.2
164.06319	0.5
166.06221	0.3
167.07007	100.0
168.07350	2.4
171.11502	0.2
174.10201	0.2
177.03967	0.3
177.05458	0.5
177.12914	0.2
179.06973	0.7
181.08557	1.4
181.12146	0.4
185.16502	0.4
189.12668	0.9
193.08557	4.3
197.07950	0.3
207.13780	3.4
207.15671	0.3
211.09612	4.9
212.09938	0.2
213.16113	0.2
225.14769	0.7
323.11008	0.2
331.45065	0.2
335.47485	0.2
369.19073	1.1
387.12592	0.6
387.20300	0.8
388.18417	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1431
Annotation	3,5,7,4'-Tetrahydroxy-3'-methoxy-8-prenylflavanone
Peak:m/z	Relative Intensity
55.01849	0.6
56.49845	0.3
65.03922	1.5
66.04711	0.5
67.05485	1.0
69.03430	0.4
69.07059	0.4
69.18735	3.3
74.37025	0.3
79.05463	1.3
81.07025	1.4
82.04182	0.5
84.82739	0.3
85.02890	0.9
85.06525	0.4
86.35337	0.4
91.05445	2.4
93.07001	0.6
94.04150	2.5
95.04953	1.1
97.02859	0.5
97.06496	0.5
103.05449	3.4
105.07003	0.7
107.04930	1.0
107.08551	0.5
108.02065	0.4
109.02879	0.3
109.06446	0.7
110.03657	0.5
111.04406	0.7
115.05415	2.0
117.07024	2.0
118.04113	0.8
119.04982	0.7
119.08556	0.6
121.06475	1.9
122.03619	6.8
123.04441	0.8
131.04904	4.0
133.06447	0.8
137.05951	100.0
138.06274	1.5
141.05408	0.6
143.04869	2.9
145.06453	2.6
147.04361	0.5
147.08028	0.4
148.05164	2.2
151.03876	12.3
151.04764	0.5
152.04639	0.4
153.05478	0.4
155.06050	0.6
159.11688	0.4
161.05905	0.7
163.07515	3.3
165.09085	0.4
167.07011	11.3
167.08412	0.6
171.06480	1.1
173.05957	3.8
175.07504	1.6
176.04565	0.4
177.05444	0.5
181.04921	18.9
191.06996	12.4
193.08650	0.5
203.07010	2.0
205.08536	2.4
207.06549	0.7
207.10123	0.5
209.08151	0.5
221.08049	0.4
227.53621	0.4
233.08043	1.1
235.09573	2.6
248.08249	0.4
249.67204	0.4
255.12428	0.4
263.09161	0.5
297.11563	0.5
298.91046	0.4
318.97351	0.3
319.09915	0.4
327.12369	0.4
337.10828	0.6
355.11655	1.1
357.08859	0.7
357.13263	12.6
358.13693	0.6
369.13293	0.7
387.14319	40.6
388.14716	1.4
405.11707	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	37.8
57.03423	18.8
57.07063	20.2
63.20867	14.2
67.05479	92.8
69.07044	43.7
70.06587	21.1
71.55087	17.2
71.55467	21.0
79.05471	55.0
81.07034	100.0
83.08588	27.2
91.05463	59.1
93.07032	65.2
95.04961	18.5
95.08594	70.7
97.10143	25.6
105.06992	69.8
107.08569	66.8
109.10140	58.2
115.08583	18.1
115.85935	16.8
117.06989	17.1
119.08567	59.9
121.10110	60.5
125.09573	18.6
129.06953	17.6
131.08542	45.2
133.10118	40.6
135.11642	28.9
145.10049	28.1
147.11647	28.0
149.13214	27.7
158.36823	13.2
159.11667	17.5
176.53600	15.3
199.14790	16.6
209.45561	15.0
238.76610	17.1
241.19574	20.6
259.20441	44.9
277.21683	31.2
309.08142	15.8
351.25049	78.6
376.86307	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	386.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	32.0
57.03431	20.6
63.27477	18.9
67.05486	74.3
69.07063	33.1
69.92223	82.4
69.92635	48.6
79.05484	100.0
81.07036	85.2
83.08606	25.8
91.05463	79.9
93.07001	93.4
95.08585	84.6
98.20830	28.9
105.07024	79.1
107.08558	61.0
109.10095	23.9
115.08636	19.9
119.08556	54.9
121.10103	63.3
129.07016	24.0
131.08575	35.4
133.10112	51.0
135.11653	43.3
147.11684	51.6
199.14737	22.6
224.32925	22.8
259.20572	57.1
277.21729	32.8
351.25082	71.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20743	1.0
55.01848	1.1
56.05054	0.9
60.05615	1.1
66.46827	1.0
69.03397	1.0
69.70826	7.8
70.06583	12.0
72.08172	1.9
84.08109	2.4
85.02895	1.9
86.09698	2.5
89.03910	10.0
91.05466	2.6
93.07004	1.4
95.04964	3.2
104.53944	1.0
105.07035	2.0
107.04960	2.5
109.02843	1.0
111.00760	1.2
117.03364	23.4
118.03671	1.3
119.04964	2.0
123.04429	4.4
127.03896	1.3
133.02878	2.6
134.03589	1.6
135.04391	3.3
140.04622	1.2
145.02818	53.3
146.03116	5.1
147.04362	5.4
149.05930	9.8
151.03888	1.6
151.09637	1.2
161.02319	1.5
163.03870	5.6
167.07008	42.7
177.05438	100.0
178.05757	9.4
179.03319	5.4
193.08653	1.7
195.06116	2.3
207.13808	3.7
211.09698	1.3
225.14960	1.9
274.18820	1.1
290.71216	1.1
387.22913	2.3
387.27115	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	386.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.2
55.01859	2.8
55.05490	3.0
57.03424	5.4
59.04990	100.0
61.02922	2.5
67.05496	3.6
69.03413	7.7
69.07050	3.2
70.06582	27.2
71.04974	2.6
71.25531	2.1
71.28431	1.0
72.08128	6.0
73.02905	2.5
73.06528	1.2
74.06052	1.4
76.02199	1.4
77.06023	1.5
79.05487	5.9
81.03398	4.5
81.07035	9.6
82.06548	1.2
83.04974	2.2
83.08623	1.5
84.04499	1.7
84.08134	4.8
85.02891	17.3
85.06506	2.9
86.09687	19.3
87.04446	18.9
88.02200	11.7
89.03878	1.8
89.06015	40.9
91.03961	1.2
91.05476	11.9
93.07027	8.8
95.04958	5.8
95.08589	3.2
97.02870	6.8
97.06512	3.5
99.04427	3.0
99.08090	3.0
100.07590	1.4
101.06017	1.7
103.03921	53.1
103.05418	2.8
103.07539	5.4
105.07008	11.6
106.07322	1.5
107.04939	2.5
107.07066	2.7
107.08582	9.8
109.02859	3.0
109.06500	6.4
109.10139	2.9
110.07163	1.6
111.08068	1.3
117.03370	4.9
117.05475	52.8
117.06975	2.1
117.09107	2.4
119.04909	2.6
119.08562	8.7
121.06496	6.3
121.08599	10.8
121.10093	8.2
122.02657	1.2
122.03582	1.2
122.05990	1.6
123.04414	4.4
123.08029	7.8
123.11713	1.6
124.03925	1.1
124.07568	2.3
125.06004	1.4
125.09549	1.7
127.03894	4.9
129.10240	2.0
130.06535	1.1
131.04889	10.0
131.07027	10.5
131.08546	3.4
132.05228	4.3
132.10185	1.8
133.06429	1.6
133.08577	26.1
133.10095	6.6
134.02687	3.5
135.08011	6.2
135.11664	3.8
136.04268	2.9
136.07532	2.3
137.02275	1.6
137.05957	6.1
137.09573	1.9
138.09192	1.2
139.07523	5.2
139.11174	2.1
140.07021	1.4
143.08524	1.2
145.02820	11.3
145.04944	3.7
145.06367	1.1
145.10085	4.2
146.05988	1.4
147.04395	4.9
147.06505	6.8
147.07872	1.3
147.11703	6.0
148.04251	5.5
149.05937	3.8
149.09601	5.3
151.03793	1.3
151.07515	6.8
151.09578	1.5
151.11153	1.4
157.13396	1.9
159.08034	1.5
161.06046	2.1
161.08200	2.3
161.11794	1.3
161.13234	2.5
163.03844	1.0
163.09756	1.8
163.11160	8.6
165.12758	4.2
167.07030	3.5
171.11629	1.5
175.07430	1.6
175.09677	5.6
175.11089	1.6
177.05434	34.2
177.11263	6.0
177.12582	1.7
178.05862	1.7
179.06960	1.1
179.14256	1.4
181.12230	4.2
182.78253	1.0
185.09236	1.6
189.12700	5.6
191.09100	1.3
193.08574	1.2
195.12326	6.6
201.05478	2.1
202.05809	2.1
203.13928	1.4
206.11826	1.4
207.12181	15.4
207.13806	46.0
223.13210	2.0
224.13496	4.5
225.14865	10.1
231.02151	2.9
233.08063	1.4
235.11719	17.8
235.15425	1.5
239.14822	2.6
253.12756	28.9
253.16476	1.9
293.15857	2.8
301.02658	1.9
309.08728	2.0
311.16983	9.4
315.05374	1.2
329.10110	2.5
351.17978	1.4
369.21262	16.4
386.15796	8.0
387.14844	4.1
387.20135	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	386.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	1.4
57.03426	11.2
59.04972	1.1
60.04490	0.8
61.02916	5.1
67.24471	0.6
69.03425	10.2
70.06575	2.3
70.69410	0.7
70.69740	1.5
73.02510	1.3
73.02904	24.3
74.00659	3.7
81.03391	2.5
84.08134	1.4
85.02892	37.4
86.09709	1.2
87.04463	1.7
89.03892	5.6
91.03934	1.9
91.05454	1.2
97.02875	19.2
99.04418	1.9
103.03926	0.9
103.05427	0.7
109.02847	4.3
115.03912	11.4
117.03359	17.6
119.04951	0.7
120.01153	10.0
121.06416	0.8
127.03898	11.6
133.04924	6.0
134.03622	0.9
135.04343	0.9
136.03922	1.5
136.07571	1.5
137.05957	0.8
145.02823	47.3
145.04909	19.1
146.03413	0.8
147.04338	0.9
149.05939	7.1
150.07581	1.5
161.05865	0.7
163.03853	1.0
163.05981	14.0
163.11134	0.8
167.07005	15.3
169.04884	0.7
177.05437	100.0
178.05780	5.1
193.08517	1.0
207.13765	0.9
211.09647	1.3
223.05965	1.5
236.14392	0.7
237.13297	5.5
241.07033	2.1
259.07883	3.1
295.10098	3.0
374.45328	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63390	0.5
53.03936	1.0
55.01857	1.0
57.03429	16.5
59.04976	0.9
60.80015	0.5
61.02919	7.4
67.83374	0.5
69.03422	14.0
70.06569	1.5
70.57584	1.5
70.57909	0.5
71.01333	1.7
71.04971	0.9
73.02908	30.6
78.04684	1.2
79.05475	1.0
81.03394	2.0
83.04930	0.5
83.55175	0.5
84.04476	0.6
84.08118	0.6
85.02892	52.0
86.09680	0.6
87.04453	2.0
89.03860	0.7
91.03918	2.5
91.05461	1.5
93.07022	1.0
95.01308	1.8
97.02880	24.6
99.04423	2.4
103.03874	0.8
103.05447	0.9
105.07008	1.9
106.04152	0.9
107.04928	1.5
109.02853	3.6
115.03914	19.9
116.07026	0.5
117.03339	0.9
121.06491	1.9
123.04412	4.3
124.05187	1.4
127.03896	15.0
132.06543	0.7
133.04944	6.6
133.06471	1.1
137.05988	0.8
145.02806	2.2
145.04938	33.0
147.07895	0.5
149.05969	2.0
150.07578	2.2
151.03874	1.6
151.07492	0.5
152.04623	1.1
161.05937	1.7
163.05992	21.4
163.11143	1.6
166.08690	0.8
167.07013	100.0
177.03995	0.8
177.05434	5.8
181.08601	1.2
193.08597	4.3
207.13773	1.9
211.09624	4.8
223.06004	2.2
225.14873	0.9
237.13307	5.0
241.07124	2.5
259.08124	2.6
295.10162	3.6
387.12869	0.7
387.20175	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.3
55.01849	1.1
55.05505	5.9
56.05027	0.6
57.03412	2.2
57.07062	10.9
58.99563	0.7
59.04988	5.2
61.02906	2.7
67.05494	2.7
69.03415	6.9
69.07027	1.7
70.06586	3.2
70.06891	0.5
71.04964	2.1
71.53086	0.7
72.08130	2.9
73.02883	1.8
73.06551	0.9
75.92933	0.6
76.02186	1.4
79.05481	3.9
81.03385	2.4
81.07050	4.6
83.04947	1.4
83.08598	2.5
83.59773	0.5
84.08118	2.0
85.02893	20.7
85.06513	1.8
86.06066	0.6
86.09708	2.6
87.04427	2.1
87.75654	0.5
88.02189	0.9
88.03958	0.8
89.06013	53.5
90.06342	0.8
91.03940	0.8
91.05463	4.5
93.07036	4.0
94.06530	1.4
95.04942	2.3
95.08578	2.9
97.02876	7.5
97.06548	2.5
99.04440	1.4
100.07571	0.6
101.09636	7.8
103.05431	1.7
105.07012	4.9
107.04917	1.5
107.07028	2.2
107.08578	4.0
108.08028	0.7
109.02895	2.7
109.06493	2.8
109.10096	1.6
111.08051	0.8
114.35950	0.7
115.02106	0.5
117.06963	1.3
117.09109	0.8
119.08540	4.7
121.06503	2.5
121.10096	3.5
122.02682	2.9
122.05990	3.1
123.08057	7.8
123.11703	0.5
124.03914	2.7
124.07597	3.5
125.05946	1.8
127.03894	4.1
127.07580	0.6
129.10178	0.6
130.08611	0.9
131.04895	6.2
131.08560	1.1
133.06438	0.8
133.08580	16.8
133.10039	2.4
135.04431	0.6
135.08005	1.3
135.11649	1.2
136.07527	1.2
137.05940	2.4
137.09544	1.3
138.09097	1.1
140.06992	1.8
142.08647	0.6
142.12309	0.6
143.08507	1.3
145.04938	4.2
145.10150	2.5
145.12201	8.9
147.04387	0.7
147.07993	0.8
147.10161	0.5
147.10551	0.7
147.11650	5.2
148.07509	1.9
149.06018	0.7
149.09564	1.6
150.05453	0.7
151.03848	1.2
151.07555	11.0
151.09616	20.7
151.10989	1.0
153.09076	0.9
159.07961	0.7
159.11633	0.8
161.05920	1.1
161.09570	1.0
161.13185	0.7
163.07463	0.9
163.11147	5.2
165.09077	0.8
165.12752	3.8
166.08588	2.8
167.07001	2.2
171.11671	2.5
177.05452	2.9
177.12761	0.6
180.10106	0.9
181.04825	0.6
181.12219	3.6
189.09021	0.9
189.12660	2.3
191.10626	1.6
195.12218	0.9
201.16403	0.8
204.06599	1.2
207.13770	16.3
207.15842	100.0
208.09654	1.8
208.16217	4.0
209.15288	0.9
217.15921	0.5
225.14705	3.8
229.15736	1.4
247.16847	1.8
253.09506	0.6
253.16447	0.7
262.10635	2.2
263.09137	0.7
265.17770	0.8
267.11215	0.8
287.10059	0.7
310.12021	0.5
316.13928	0.7
319.13000	0.8
325.14624	0.8
368.18689	0.8
369.18799	0.6
369.24500	0.8
386.20285	3.8
387.15134	1.1
387.20041	11.4
397.20386	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1594
Annotation	Papaverrubine F
Peak:m/z	Relative Intensity
53.03946	0.3
54.03456	0.8
55.01859	0.7
55.05517	0.4
57.03418	0.5
58.06594	0.6
59.04977	0.4
67.05500	0.6
68.04997	0.3
68.99801	0.8
69.03397	0.7
70.06582	100.0
70.33832	0.9
70.34248	0.6
71.06920	1.0
72.08144	1.5
73.06532	0.3
75.81325	0.3
78.04720	0.3
79.05479	1.2
81.03410	0.5
81.07041	1.2
83.04980	0.3
83.06086	0.8
84.04497	0.7
84.08157	1.5
85.02898	1.3
86.09683	1.5
87.04469	1.2
89.03907	0.6
89.06017	4.3
90.06363	1.3
91.05468	2.0
91.05941	0.3
93.04539	0.5
93.07047	1.0
95.04972	1.0
95.06091	1.0
95.08612	0.5
103.03934	1.3
103.05446	0.7
103.70564	0.3
105.03365	0.4
105.07023	0.6
107.04955	1.5
107.08569	0.3
109.02882	0.4
109.06548	0.6
110.06009	0.3
110.07146	6.3
116.07060	0.5
117.03374	1.7
119.04919	2.3
119.08579	0.6
120.08104	1.3
121.06505	2.1
121.10107	0.3
123.04411	11.9
123.07994	0.4
124.07595	0.3
127.03924	0.4
128.07181	0.3
129.10225	0.7
130.08665	0.3
131.04939	0.7
133.08598	2.1
134.03668	0.3
134.08934	0.9
135.04379	1.6
136.07600	1.5
137.05948	0.8
138.09175	0.4
142.03036	0.3
145.02827	3.8
145.10054	0.5
147.04385	7.8
147.05527	0.5
149.02315	0.4
149.05969	5.0
151.03802	0.3
156.07669	0.9
159.04425	1.0
161.05988	0.9
163.03896	0.7
163.11125	0.5
164.07019	0.3
165.05450	4.1
167.06992	2.1
168.07350	0.8
173.05927	0.4
175.03952	0.4
175.07574	0.9
175.09697	0.4
177.05444	60.4
178.05701	1.5
179.06995	0.5
188.07164	0.3
189.05453	0.6
191.10706	0.5
201.05408	0.5
205.12241	0.4
206.12662	0.4
207.06506	1.9
207.13881	0.8
225.14796	0.4
234.11238	3.5
270.47635	0.3
322.21173	1.3
328.20438	0.4
329.10144	9.5
337.85599	0.4
340.22339	0.4
368.17905	0.4
368.21841	2.0
386.15924	60.4
386.22552	4.1
387.16019	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.09
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.6
55.01851	1.3
55.05493	0.9
56.05007	0.4
57.03420	3.4
59.04995	2.9
60.04517	0.5
61.02910	1.3
67.05473	0.5
69.03419	4.4
69.42582	0.4
70.06573	5.7
71.01344	0.6
71.04974	0.9
71.66103	0.4
72.08149	2.7
72.54418	0.4
73.02907	10.2
74.00659	3.5
79.05467	1.1
79.67332	0.4
81.03381	0.8
81.07022	0.4
83.06072	0.4
84.04471	0.9
84.08134	3.5
85.02892	14.4
86.06036	0.4
86.09705	2.2
87.04451	1.4
87.05570	0.4
88.02196	0.7
88.03988	1.5
89.03897	4.8
89.05997	0.5
91.03933	0.7
91.05467	2.0
93.07023	0.8
95.04945	0.8
95.06044	0.5
95.08582	0.4
96.60416	0.4
97.02876	6.9
98.21551	0.6
99.04429	1.0
100.07610	0.5
102.04665	0.5
102.05504	0.4
103.03927	1.4
103.05450	0.6
104.06965	0.3
105.07015	0.9
106.04160	0.5
107.04943	0.7
109.02863	1.7
110.07156	2.2
112.11190	0.3
115.03902	4.5
117.03357	17.6
117.09060	0.5
118.06503	1.4
119.04913	1.2
120.01145	10.1
120.08071	1.1
121.06504	0.9
123.04410	1.1
124.05156	0.6
124.07562	0.4
127.03910	4.9
129.10204	1.1
130.04979	0.8
130.08627	0.5
131.04843	0.6
131.07013	3.0
131.08522	0.4
133.02774	0.4
133.04945	2.4
134.02672	0.5
134.03619	1.4
135.04407	1.5
136.03918	4.9
136.07524	2.0
136.08434	0.3
137.05963	1.1
140.07043	0.6
145.02824	46.4
145.04839	7.8
146.03688	1.7
147.04382	1.5
147.08060	0.4
148.05037	0.5
149.05975	5.8
150.05484	0.5
150.06677	1.0
151.03867	0.6
153.05409	0.5
154.05011	0.4
161.05925	0.6
162.07643	1.0
162.09106	0.3
163.03854	1.0
163.05989	4.8
164.07048	0.4
165.05347	0.4
165.79588	0.4
166.08604	0.4
167.07018	14.2
176.04669	1.2
177.05440	100.0
178.05881	2.5
179.03354	1.1
179.07005	0.6
183.11049	0.5
186.05325	0.9
188.07097	0.5
193.04849	0.5
193.08641	0.5
194.05714	4.4
207.06560	0.6
207.12218	1.7
210.07597	1.0
211.09666	0.8
223.06018	0.9
224.09222	0.8
228.08612	1.0
237.13319	1.7
241.07124	0.4
259.08127	1.1
259.59186	0.4
259.91223	0.4
266.10065	0.4
295.10132	0.7
334.94058	0.4
368.16098	0.8
386.14197	1.1
386.22635	1.4
387.15631	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.8
55.01857	1.2
55.05502	35.3
57.03159	0.9
57.03428	17.0
57.07065	30.0
59.04971	0.7
67.05494	12.8
67.92857	0.5
69.07056	46.7
69.88336	3.0
70.07375	0.6
71.04969	1.9
71.08237	1.2
71.08620	20.6
73.06525	1.6
75.04461	0.8
79.05476	6.0
81.07041	19.8
83.04961	2.3
83.08604	33.7
84.08103	0.6
85.06531	1.3
85.10164	9.1
87.04457	0.5
91.05447	1.5
93.07027	10.4
95.08592	18.7
97.06511	6.7
97.10151	19.6
98.21542	0.5
99.08083	1.3
99.11729	0.7
99.95502	0.5
101.05993	0.9
104.59956	0.5
107.08569	8.2
109.10140	9.8
111.08030	4.5
111.11708	6.0
115.07533	1.6
121.10126	8.6
123.11689	4.4
125.09595	4.5
125.13233	1.4
129.09106	1.8
130.08621	0.6
135.11656	9.3
137.13190	1.9
139.11148	6.1
143.10646	1.7
149.13229	6.2
151.14737	0.8
153.12703	4.4
157.12213	1.4
163.14819	4.4
167.14340	2.7
171.13860	1.4
177.16388	3.2
181.15891	2.7
185.15443	0.9
191.17914	1.9
193.19385	0.6
195.17464	1.7
199.16895	0.6
205.19539	1.1
209.19017	2.2
219.21082	1.4
223.20589	1.2
233.22664	0.8
237.22102	1.7
251.23705	0.6
275.27313	5.8
293.28323	13.2
294.28668	0.8
311.29456	0.7
324.32471	0.6
331.25372	0.6
367.31989	13.4
368.32227	1.0
385.33066	100.0
386.33426	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	385.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40629	1.6
53.03933	2.0
55.05486	3.9
57.03427	18.7
61.02922	9.7
67.08452	1.4
69.03412	26.5
70.33437	6.0
71.04968	3.5
73.02505	2.4
73.02899	36.5
73.06541	39.1
81.03394	4.7
85.02890	100.0
87.04422	2.1
88.02190	2.3
91.03913	4.4
95.82586	1.6
97.02876	38.6
99.04430	4.6
100.85662	1.4
105.07024	2.0
107.33102	1.5
109.02856	7.0
113.65649	1.5
115.03914	28.8
119.04962	1.8
124.36232	1.5
127.03892	23.9
133.04947	9.1
145.04938	46.7
161.05933	3.9
163.05975	29.2
167.07072	1.7
169.08617	9.9
187.09581	2.9
193.08551	3.8
205.10625	1.8
207.08255	1.7
217.10710	1.8
237.54132	1.6
253.12785	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	385.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
55.01864	3.3
55.05506	1.8
56.05030	0.7
57.03435	2.8
59.04987	0.9
61.02918	3.3
67.05507	1.5
67.48116	0.5
67.65864	0.6
69.03422	13.3
69.07057	1.4
69.31062	0.5
70.06581	12.4
71.04967	3.3
72.08156	4.3
73.02907	2.9
74.06088	0.5
79.05485	2.9
81.03381	4.1
81.07038	3.3
83.01310	0.6
83.04965	2.0
84.04497	1.6
84.08148	4.2
85.02892	37.9
85.06525	0.6
86.06098	0.5
86.09697	2.5
87.04456	2.2
88.02209	1.8
89.03908	1.4
90.05553	1.1
91.03947	1.4
91.05467	6.0
93.07030	4.5
94.06574	0.6
95.04947	2.9
95.08607	1.3
96.08116	0.6
97.02881	11.5
97.06533	0.5
98.06055	1.0
99.04440	6.1
101.02325	0.6
102.05477	0.8
103.03925	0.6
103.05437	0.7
105.07011	6.9
107.04954	1.8
107.08569	8.7
109.02843	2.8
109.06503	2.2
109.10121	0.6
110.07145	2.5
111.04408	3.0
115.03906	0.7
115.05463	1.3
116.07081	1.2
117.03339	2.8
117.07013	3.8
119.04938	2.6
119.05952	0.5
119.08569	10.1
120.08105	1.0
121.02863	0.6
121.06479	5.3
121.10135	3.9
122.06000	0.6
123.04405	2.9
123.08040	1.9
124.07630	0.7
125.05992	4.3
127.03896	8.7
127.08658	0.8
129.07004	1.5
129.10237	2.0
130.05022	0.9
130.08624	0.7
131.04877	1.2
131.08530	3.6
133.02847	0.6
133.06447	2.1
133.10069	1.9
134.02672	1.8
135.04428	1.3
135.08034	8.2
135.11650	1.5
136.07535	1.1
137.02376	0.7
137.05936	3.5
137.09622	1.0
138.05484	0.9
139.07507	2.5
140.07080	1.0
141.09065	2.3
143.08455	0.6
144.09317	2.0
145.02823	9.0
145.04929	5.0
145.06462	1.2
145.10094	2.7
146.03560	1.4
147.04381	5.8
147.06935	1.0
147.08035	13.0
147.09207	0.8
147.11678	3.6
149.05992	3.6
149.09579	9.5
151.03867	2.1
151.07492	1.1
152.04541	0.7
152.07092	0.6
153.05385	0.9
156.07687	0.7
157.10080	1.3
159.08043	0.7
159.11687	4.6
161.05945	3.1
161.09578	1.0
163.03860	1.7
163.06140	1.1
163.07498	12.7
163.11139	2.6
164.07066	0.9
165.05482	1.2
165.09084	2.6
166.08600	2.6
167.05663	1.0
167.07019	14.4
169.01256	0.6
169.10043	0.9
172.08829	1.1
173.06021	0.8
173.09369	0.6
175.07536	2.2
176.04710	1.0
177.03876	0.8
177.05440	15.9
177.08989	4.1
177.12680	1.3
179.03351	2.0
179.07016	0.6
179.10626	8.5
187.11136	1.6
189.05446	0.6
189.08997	0.8
190.09904	1.7
193.04898	1.8
193.08496	1.1
194.05696	2.8
195.04794	0.6
196.98956	0.7
201.05484	1.0
203.10564	0.9
205.12207	100.0
206.12556	4.4
207.06413	0.7
207.13765	1.9
209.08009	4.6
210.07629	1.1
217.04988	3.9
219.06384	0.6
222.03925	0.8
223.13252	92.0
224.13554	4.0
224.16283	0.7
238.08693	0.6
243.61517	0.7
247.05869	0.6
275.05338	0.8
293.06552	1.8
312.26300	0.6
367.09998	0.8
385.14304	1.1
385.18567	7.7
385.25116	1.6
386.07657	0.6
386.13730	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.031
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09097	0.2
56.96556	1.6
69.52097	1.8
75.17931	0.2
77.89826	0.2
82.99833	0.2
83.26932	0.2
98.97565	12.0
99.97837	0.3
101.00803	0.8
116.98600	12.0
117.98985	0.3
119.01907	5.4
120.68585	0.2
134.98642	0.4
134.99640	7.5
137.02937	1.7
140.00151	0.4
141.92595	0.2
153.00711	1.6
158.01199	0.3
158.99834	0.5
177.00929	13.0
178.00975	0.8
182.99838	0.4
195.01949	0.3
200.02562	0.2
201.00928	0.6
216.98633	0.3
217.04034	3.1
219.01974	24.3
220.02119	1.4
221.02209	0.4
225.00781	2.7
234.99850	0.6
236.99643	0.4
240.98743	0.5
242.03625	0.4
242.98390	0.4
242.99268	0.3
243.01910	6.5
244.02232	0.4
245.01421	0.2
258.99780	5.5
259.99991	1.6
260.99799	5.0
261.03015	100.0
262.03140	6.3
263.03146	0.6
264.98846	0.4
266.03430	0.5
267.85971	0.2
277.00781	10.4
278.00919	3.3
279.00620	10.0
280.00882	0.2
282.99979	1.7
283.99997	0.5
284.04572	3.1
284.99774	0.9
294.98868	0.3
297.02023	0.3
300.02353	0.4
301.00970	4.9
302.01157	1.5
303.00803	1.9
304.00964	0.3
318.98499	0.4
319.01944	0.3
319.98712	0.4
325.01352	0.2
343.01944	1.8
344.02188	0.3
360.99600	0.6
361.03519	0.5
361.99646	0.3
367.02029	2.2
385.03159	16.3
386.03247	1.2
403.04510	21.3
404.04596	1.5
408.04611	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.7
55.01856	4.1
55.05500	3.0
57.03427	7.1
59.04988	1.8
61.02896	3.3
67.05476	1.5
69.03418	7.2
70.06575	3.9
70.51383	4.1
71.04980	19.9
72.08143	1.4
73.02905	8.7
73.06541	5.6
75.04449	1.4
78.04720	1.3
79.05466	4.8
81.03400	1.9
83.01299	1.7
83.04961	5.7
84.08135	3.1
85.02891	62.0
86.09660	1.7
87.04475	2.5
88.02205	3.9
88.11246	1.2
89.03928	2.1
91.05461	8.5
95.04950	4.9
97.02872	11.8
98.97546	1.3
99.04441	2.1
101.05994	2.0
103.03941	1.4
103.05448	5.7
105.07011	54.0
107.04933	2.2
108.11443	1.0
109.02859	3.0
110.07148	2.2
111.04431	2.6
115.03898	4.8
115.05423	12.0
117.03382	2.8
117.06996	3.8
118.04142	4.8
119.04925	6.0
119.08475	1.2
121.91480	1.1
123.04369	5.6
127.03892	11.7
129.05458	11.3
131.04953	5.5
132.05672	2.3
133.06468	57.4
134.02701	1.9
135.04453	1.5
136.06171	3.8
137.05956	2.4
138.05452	1.8
139.05702	1.4
140.04663	3.6
143.03381	1.5
143.04953	1.9
143.06013	4.5
144.05716	1.3
145.02855	7.9
145.04922	15.6
145.06458	6.4
146.03571	3.6
147.04399	12.9
147.06505	2.2
147.08034	1.8
149.05981	2.6
151.03841	8.6
155.07033	2.9
157.06522	1.3
159.04422	1.7
161.05952	100.0
162.06329	3.3
163.03883	2.8
163.06064	6.7
163.07393	1.9
167.07014	33.3
169.08611	3.6
173.05858	5.2
175.03818	2.0
175.07487	2.7
176.04671	2.0
177.05437	15.3
179.03348	3.2
181.05003	2.9
183.06500	3.0
185.05978	1.7
186.03044	1.9
187.07521	1.5
187.09608	2.3
189.05432	3.4
190.06219	4.0
191.07007	4.1
192.07811	3.0
193.08569	66.5
194.05688	3.7
194.08994	3.1
201.05472	3.3
203.06976	3.3
205.08601	6.4
207.06497	10.2
207.10216	1.2
209.08031	3.1
215.06772	1.2
217.04932	5.2
219.06386	5.8
220.07323	2.6
221.07899	5.4
229.05000	3.5
230.05766	1.2
231.06531	6.7
233.04405	6.1
233.08025	6.1
234.08888	1.2
235.06096	1.7
235.09651	2.5
239.11258	1.5
243.06442	1.6
245.04440	1.6
245.07910	1.1
246.05144	1.5
247.05945	1.2
249.07570	3.9
251.05438	1.7
251.06041	1.7
251.09091	27.5
252.06985	1.3
253.07631	3.0
257.04272	1.3
259.05753	1.5
260.06741	1.3
261.07486	13.0
263.09091	3.3
273.07507	1.6
275.08997	5.1
276.78464	1.1
277.07181	2.0
279.08453	2.5
287.08704	1.3
289.07019	3.3
291.08713	1.6
293.10126	3.8
298.09357	1.1
305.10178	3.4
307.08011	9.1
319.08093	2.5
349.09293	1.4
367.10333	2.8
385.11725	2.2
385.16940	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	383.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51198	3.3
55.01859	4.7
55.05505	28.9
57.07063	15.5
59.04986	4.0
60.68753	3.3
67.05487	32.8
69.07059	27.5
70.08903	3.6
71.08613	8.8
71.13284	6.7
76.02892	3.3
79.05483	15.6
81.07040	51.9
83.04951	18.5
83.08607	13.0
83.80891	3.8
85.06527	13.3
91.05460	17.2
93.07028	38.3
95.04960	7.8
95.08595	47.1
96.05708	4.1
97.06522	14.5
97.10135	4.2
97.82698	3.2
99.08105	10.1
100.07618	5.0
105.07017	20.6
107.08583	45.9
109.06499	27.6
109.10155	26.0
111.04420	98.8
111.08071	14.6
113.05981	3.8
113.60696	3.5
119.08569	20.0
121.02889	8.1
121.06484	6.7
121.10136	18.5
123.08032	36.0
123.11717	8.1
125.05064	4.9
125.05974	94.0
125.09621	6.5
127.07542	3.6
131.08536	9.5
133.10136	12.7
135.08064	18.7
135.11676	26.2
137.05957	100.0
137.09573	6.0
137.13217	9.0
139.07567	8.4
143.08568	4.4
145.10110	23.6
147.08046	5.1
147.11684	11.6
149.09625	13.9
149.13194	4.4
151.07521	9.9
153.12724	24.7
155.14294	8.0
157.10135	5.1
159.11719	5.6
161.09578	8.6
163.11150	27.4
165.09096	4.7
165.12811	7.1
175.11180	9.6
179.10611	3.8
179.14311	51.4
181.12219	94.7
182.12982	16.1
195.13766	37.2
207.13861	4.1
221.18964	3.7
231.17484	7.7
249.18434	12.2
277.18036	38.3
291.19650	9.7
291.27234	4.1
293.21161	18.2
293.24255	4.6
295.18903	11.5
309.20712	5.5
319.26068	4.1
329.24686	6.2
347.25888	21.1
349.27310	85.0
350.27991	24.1
365.26889	23.5
366.27328	5.7
383.27917	67.4
383.37378	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	384.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36057	0.2
52.67546	0.2
54.14861	0.2
55.05505	0.6
55.22349	0.3
56.05017	2.1
69.26933	1.7
69.27361	0.8
70.06572	0.5
74.02404	0.5
82.06570	4.0
84.04490	0.4
84.08126	46.2
85.02869	0.5
85.08449	1.1
88.02187	1.1
89.03915	0.5
91.05452	0.6
97.02836	0.2
100.07589	2.3
110.07150	1.1
117.03351	0.8
119.01884	0.3
119.04906	1.0
122.02679	0.4
127.03788	0.3
128.07071	1.4
130.08612	100.0
131.08957	1.9
134.02650	1.0
136.06149	0.5
138.05487	0.8
145.02809	1.3
146.08090	18.4
147.04391	2.9
147.08406	0.6
148.04709	0.6
152.97998	0.2
168.03847	0.2
177.05447	2.2
178.05737	0.3
216.83069	0.2
230.04282	0.4
247.04497	0.3
255.04659	0.9
269.05313	0.3
384.08066	10.9
385.08151	2.0
409.07892	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2573
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
51.17894	2.6
52.67407	2.9
53.03934	5.2
55.05489	13.1
56.96540	12.6
57.03432	2.7
57.07041	9.5
59.04978	5.1
65.03918	3.8
67.05489	26.1
69.03410	15.6
69.07042	10.3
71.04957	7.3
71.27814	6.0
72.18013	2.7
79.05482	27.3
81.07041	28.4
83.04941	5.7
83.08595	6.5
85.06521	5.5
91.05463	34.4
93.07024	87.1
95.04947	30.1
95.08590	39.8
97.06514	10.2
105.07014	69.6
107.08570	45.4
109.06499	20.8
109.10148	19.1
111.08052	10.1
117.06966	10.1
118.89169	3.0
119.04974	3.0
119.08555	51.2
120.09458	3.2
121.06439	13.6
121.10121	38.4
123.08051	28.4
123.11646	4.1
125.05849	2.8
128.06189	6.3
129.06950	14.0
130.07730	3.4
131.08542	28.9
132.09351	3.9
133.06488	7.8
133.10100	23.6
135.08034	17.4
135.11664	6.8
137.05934	4.7
137.09579	10.9
139.38490	2.7
142.07724	15.6
143.08522	25.2
144.09312	7.5
145.10100	38.8
147.07999	19.8
147.11580	15.2
148.08672	4.3
149.09590	19.9
151.07518	35.3
151.11182	2.8
153.07126	2.6
155.08521	5.5
156.09349	7.6
157.10094	39.0
159.08009	7.9
159.11636	19.1
161.09587	18.1
161.13229	8.0
163.11151	7.6
165.09074	31.2
167.08521	5.2
169.10133	4.0
170.10823	5.0
171.11641	9.1
173.09587	8.3
173.13170	7.0
175.11118	22.8
175.14790	7.4
177.09062	9.8
183.11671	9.2
185.09715	4.5
185.13298	17.6
187.14885	3.8
189.12715	9.9
195.11670	5.9
196.12570	2.6
197.13206	8.4
199.14859	4.6
201.12700	8.2
203.14264	24.9
207.11816	3.1
207.13712	11.7
209.13260	5.5
209.15318	7.1
211.14737	3.9
213.12708	3.8
215.14258	10.9
219.13736	5.4
221.13333	3.9
221.15315	61.3
227.14297	9.6
233.15349	4.4
234.14006	3.2
234.16118	11.4
237.14772	4.8
243.13814	3.7
250.10252	2.9
255.09465	3.2
269.18872	3.6
280.05432	2.9
281.19177	3.5
286.19186	7.6
286.56039	2.9
287.19952	9.9
292.11230	9.6
292.61517	4.1
294.07016	4.9
299.19937	4.5
303.19366	5.7
306.12103	3.8
308.59100	4.1
309.18420	3.6
323.09329	7.3
325.21402	3.5
340.13156	3.5
347.23572	5.6
359.60748	16.1
360.10681	9.4
360.64844	5.8
365.24689	17.1
371.11411	7.7
371.61270	5.6
383.11346	11.2
383.25705	100.0
384.11902	4.4
384.26114	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	383.2572
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03925	4.8
55.01862	3.2
55.05494	14.8
57.03437	3.1
57.07047	9.5
59.04982	5.3
64.91619	2.2
65.03899	3.6
67.05489	27.1
69.03406	11.2
69.07055	12.8
70.72855	5.0
71.04967	7.6
71.08622	4.9
78.26102	2.7
79.05467	26.5
81.07036	35.9
83.04952	9.4
83.08595	11.7
85.06513	5.9
87.04463	2.6
91.05456	40.0
93.07027	82.8
94.37225	2.2
95.04957	25.6
95.08585	41.9
97.06529	16.4
99.08083	2.7
105.07005	65.3
107.04997	3.0
107.07860	4.0
107.08562	47.8
109.06489	22.9
109.09582	2.2
109.10136	23.4
111.04411	6.7
111.08057	8.8
112.98558	3.0
117.06970	12.0
119.04965	2.5
119.08561	49.6
121.06463	14.3
121.10124	42.8
123.08038	24.3
123.11665	3.7
125.05935	6.5
125.09552	4.9
128.06158	7.9
128.11731	2.8
129.06958	11.3
130.07768	3.3
131.08545	31.5
133.06441	8.1
133.10104	31.5
135.08034	23.3
135.11659	6.9
137.05922	7.6
137.09567	12.3
139.11165	2.9
141.06938	4.3
142.07756	18.4
143.08524	25.1
144.09288	8.4
145.10081	43.0
147.08020	24.0
147.11656	13.5
148.08800	3.4
149.09595	23.6
151.07513	35.2
155.08482	6.1
155.10612	3.7
156.09283	10.0
157.10074	43.9
158.10727	2.8
159.07993	6.9
159.11687	19.9
160.08826	2.8
161.09595	20.7
161.13237	8.3
163.07571	3.0
163.11139	9.5
165.09056	31.3
167.08516	4.7
169.10046	6.6
170.10884	5.9
171.11639	7.8
173.09570	9.5
173.13249	6.9
175.11189	18.8
175.14778	6.8
177.09068	10.9
179.08429	2.6
179.14218	4.3
181.10031	4.9
181.12166	9.4
182.10898	4.8
183.11674	8.0
185.13200	13.7
187.11188	4.4
187.14757	8.5
189.12621	8.6
191.10576	4.2
191.14287	4.8
193.10141	3.3
195.11676	4.2
197.13179	10.9
199.11212	4.8
199.14772	4.5
201.12659	8.5
203.14270	22.3
207.11882	4.5
207.13812	8.8
209.13223	7.4
209.15286	4.1
211.14676	3.5
213.12698	5.7
215.14250	10.6
216.14973	2.9
217.15919	2.5
219.13792	3.4
221.13147	4.9
221.15308	76.9
222.15651	2.4
223.14737	3.2
225.12518	4.3
227.14240	10.2
227.17848	3.2
231.13780	4.5
233.15291	8.2
234.16051	12.7
237.14696	3.1
243.13808	3.7
281.18982	3.6
286.19189	5.1
287.19974	7.2
299.19919	6.9
302.37616	2.5
303.19565	6.6
307.20392	2.8
309.18222	3.0
347.23721	2.8
349.27274	7.1
365.24634	19.5
383.25665	100.0
383.36774	5.7
384.26089	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	383.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	2.2
53.03936	5.1
55.01869	8.7
55.05505	11.3
56.05037	2.2
56.83943	1.5
57.03427	4.5
57.07066	2.1
59.04970	3.4
61.02920	4.1
65.03936	2.4
67.05491	16.0
68.99770	4.9
69.03420	48.0
69.07054	7.7
70.01940	8.2
70.06579	3.8
71.01337	2.9
71.04987	9.8
72.08151	2.1
73.02900	3.4
79.05480	24.9
81.03406	21.3
81.07043	45.4
83.01311	1.7
83.04970	10.6
84.08138	4.6
85.02889	29.1
85.06528	2.1
86.09686	3.7
87.00828	17.9
87.04453	4.4
91.05468	30.4
93.07026	98.6
95.04951	17.5
95.08593	33.9
97.02869	23.1
97.06511	9.5
97.78410	1.6
98.20884	2.1
99.04448	7.2
100.07596	1.7
100.54610	1.9
101.06025	1.9
103.03931	3.7
105.01833	5.2
105.06286	2.8
105.07011	66.6
107.04933	7.3
107.08577	100.0
107.11276	1.6
109.02859	7.1
109.06519	11.4
109.10136	10.5
111.04436	14.3
111.08065	1.8
113.02370	2.2
113.05976	2.4
115.03908	3.8
115.05418	2.2
117.01845	2.5
117.07005	10.9
119.04879	1.9
119.08554	29.9
120.08089	2.4
121.06466	13.5
121.10125	26.4
123.04411	5.4
123.08055	9.4
123.11724	3.8
124.07523	2.3
125.05997	4.0
125.09492	1.9
127.03894	9.7
128.06247	4.4
129.01839	4.5
129.05405	2.0
129.07001	7.3
130.07719	2.3
131.08549	19.7
133.06480	5.4
133.10115	31.1
135.04419	3.2
135.08040	6.9
135.11662	48.8
137.05927	9.7
137.09613	3.7
137.13205	2.7
139.07477	2.1
140.07028	1.8
140.08237	1.5
141.05469	2.3
141.06946	3.6
142.07779	3.5
143.03410	2.0
143.08537	11.7
144.09320	3.1
145.04842	2.0
145.06499	3.9
145.10088	25.5
147.02968	3.6
147.08040	7.5
147.11679	24.6
149.05957	3.2
149.09601	6.8
149.13260	5.9
151.07538	3.0
151.11185	4.8
153.05463	2.4
155.08522	6.7
156.09302	2.0
157.10126	13.3
159.02866	5.5
159.08028	8.7
159.11658	14.9
161.09602	10.6
161.13261	6.1
163.07484	3.5
163.11139	36.7
165.09093	2.2
165.12729	24.2
167.07031	3.9
167.08496	3.3
169.10110	6.5
171.03004	2.2
171.11703	7.2
173.09608	7.8
173.13220	5.3
175.07466	3.0
175.11125	12.8
177.05467	2.7
177.12747	13.8
183.11652	5.0
184.45665	2.0
185.08078	3.0
185.09604	5.2
187.07536	3.7
187.11153	5.0
187.14819	2.0
189.03951	3.2
189.12697	12.1
191.10698	2.4
191.14371	2.5
193.12184	14.7
197.13206	8.1
199.11127	2.4
201.03885	7.5
201.09079	3.7
201.12556	8.7
203.10654	4.1
205.12244	5.1
207.11780	2.4
207.13765	6.3
213.12782	2.1
215.10680	2.2
215.14290	11.7
217.12340	2.0
219.07928	3.7
219.13766	6.4
225.12680	7.1
229.08565	2.6
231.04881	2.2
231.08002	1.9
231.13756	5.5
233.09593	2.2
233.15382	4.5
243.13757	40.9
247.07552	3.0
248.08206	2.0
259.07364	2.4
261.14825	63.7
262.09750	2.2
262.15146	2.1
263.10751	2.6
265.08255	1.7
271.07880	2.0
275.07031	4.1
276.07632	2.4
277.08362	2.5
279.15872	12.9
291.10211	3.3
292.07123	2.1
293.08105	2.7
297.16861	3.0
303.15790	2.4
307.09625	2.8
308.10391	2.7
319.09506	2.9
321.16815	8.0
323.12872	2.7
329.13586	2.3
337.10583	4.7
347.14859	31.8
351.12219	6.6
352.12903	3.5
353.10172	3.0
365.15887	31.8
366.16626	2.1
368.12491	2.8
383.16772	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	383.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85926	0.5
53.03936	1.1
57.03418	1.8
59.27249	0.6
61.02903	1.9
65.33544	0.6
69.03419	5.3
70.00011	2.7
70.06557	0.8
71.01326	0.7
71.04987	1.4
81.03393	1.7
98.20868	0.8
99.04432	2.7
100.07567	1.1
106.06503	0.9
116.29926	0.7
116.34962	0.6
117.05483	0.9
118.05256	0.9
118.53036	0.7
133.07574	3.4
145.07582	8.1
146.08392	0.7
147.09160	1.4
157.07542	1.0
159.09152	0.8
161.07095	1.2
163.08632	9.2
173.07033	0.8
175.08598	3.2
177.06572	1.4
189.06526	5.1
190.17593	1.1
191.08101	0.7
201.10117	1.6
203.11798	0.7
207.07613	64.0
208.07979	2.2
213.50246	0.7
214.06111	1.0
232.07137	8.2
248.80980	0.8
261.12442	1.1
279.13376	6.4
287.10107	1.0
305.11179	2.8
309.66864	0.6
323.12305	27.0
324.12527	1.2
348.12073	1.3
366.12881	100.0
367.13223	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	383.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.01852	1.9
55.05485	1.2
56.05013	0.7
57.03416	1.9
58.06593	0.6
60.04495	1.0
61.02906	1.8
67.05479	1.1
69.03083	0.7
69.03417	7.4
69.07045	0.6
70.06579	7.1
71.01335	0.8
71.04968	2.4
71.53062	0.9
72.08125	2.3
73.02900	0.9
74.06007	0.5
79.05476	1.3
81.03399	1.8
81.07022	1.0
83.04955	0.5
84.04486	0.8
84.08113	4.2
85.02866	1.9
86.09684	3.0
86.66970	0.5
87.04441	1.0
88.02196	1.5
89.03909	0.9
91.05443	0.6
93.06997	0.9
95.01314	0.6
95.04969	0.9
95.08584	0.7
97.02869	0.8
99.04414	2.6
100.07574	1.5
105.06998	0.6
106.06499	1.0
107.04924	0.8
107.08555	1.0
110.07114	2.8
116.04964	0.8
116.07065	0.9
117.03347	1.7
118.05257	0.6
119.08567	1.1
120.08069	1.0
123.04438	0.9
123.11626	0.8
129.10139	0.8
133.07587	4.5
134.05931	0.6
136.07556	1.0
138.05417	0.8
143.06027	0.8
145.02824	6.2
145.06549	0.7
145.07581	3.6
147.04366	1.5
147.08037	0.7
149.05917	1.1
153.09068	0.9
157.07550	1.5
159.09138	0.7
161.07094	0.8
163.03954	0.8
163.07381	0.5
163.08636	11.0
167.07115	0.8
171.09163	0.8
173.12845	0.7
175.08636	3.3
176.09456	0.7
177.05405	8.9
178.05829	0.6
185.10796	0.6
189.06569	2.2
189.10312	0.5
201.10190	1.2
202.12492	0.6
203.08235	0.7
205.09708	0.9
207.07616	70.7
208.07964	1.7
210.14977	0.8
213.10234	1.3
213.12253	0.7
214.06064	0.5
215.08331	0.7
215.11813	0.7
229.09671	1.3
232.07150	7.0
242.07959	2.7
249.12302	1.0
261.12137	0.6
263.10217	0.7
277.12662	0.6
279.13303	7.4
287.10272	1.0
305.11423	3.2
323.12323	30.4
324.12637	1.3
329.06473	1.0
355.08112	1.0
366.12888	100.0
367.13370	2.8
383.07047	2.8
383.14804	1.1
384.07645	0.6
384.20953	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.2
55.01858	2.9
55.05504	2.3
57.03426	4.3
59.04988	3.7
60.04509	2.7
61.02925	3.2
64.54601	1.6
65.03915	2.3
67.05505	2.7
69.03416	16.9
69.07034	2.7
70.06579	13.4
71.04984	6.8
71.07243	1.8
71.52660	2.3
71.53066	2.9
72.08137	7.1
73.02913	4.4
79.05482	3.6
81.03397	16.1
81.07068	2.1
83.01254	1.7
83.04988	2.1
83.08600	2.8
84.04488	3.5
84.08115	8.5
85.02888	70.7
85.06528	2.0
86.09686	3.1
87.04427	4.2
87.98750	1.7
88.02224	3.1
89.03892	10.1
91.05441	11.7
93.07013	3.3
95.04967	3.4
95.08600	3.5
97.02870	26.0
99.04440	37.6
103.03922	80.7
107.04991	4.3
107.08551	2.4
109.02837	14.5
109.06507	2.0
110.07156	5.9
117.03365	20.9
119.04910	13.5
120.02057	2.1
120.08099	1.9
120.12282	2.0
121.06481	2.5
121.10124	2.0
127.03893	100.0
129.10245	2.6
130.06508	1.9
131.08507	2.0
134.03592	1.8
134.31343	1.6
135.04378	4.2
136.07498	1.9
143.07065	3.1
145.01768	1.4
145.02831	45.3
145.04924	45.8
147.04381	33.5
148.04720	2.4
149.02271	3.4
149.05949	9.7
153.05406	3.1
160.08676	69.0
163.03902	4.5
163.05983	38.7
163.08664	2.0
164.07065	2.5
165.05440	2.8
167.07039	3.5
175.03905	2.6
177.05437	72.1
178.05765	3.3
179.03404	2.0
181.04909	3.6
186.06664	13.2
187.05951	3.5
191.03380	4.0
203.09203	36.8
203.14325	9.3
203.16032	1.6
205.07079	4.7
207.06436	2.2
209.04353	2.3
213.12416	4.2
224.10416	2.3
234.98981	4.3
245.10249	4.9
269.53342	1.9
271.08075	5.7
293.11710	2.0
297.14444	7.3
307.09982	3.1
364.82541	1.8
366.12866	2.8
372.10953	1.9
383.05148	1.8
383.09592	4.2
383.14230	3.4
383.19272	1.9
383.28098	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	382.17
Annotation	cis-Zeatin-O-glucoside
Peak:m/z	Relative Intensity
57.07055	1.7
59.04980	1.6
61.02917	0.6
65.62787	0.5
67.05496	1.1
69.03399	1.2
69.07040	1.8
69.07632	0.5
70.02922	1.6
70.19077	1.0
70.19425	2.3
72.04504	7.5
73.02885	1.2
74.02395	0.9
85.02878	3.5
85.06521	3.5
86.09671	1.1
87.08080	1.0
90.05538	51.3
95.04947	2.7
96.08094	0.7
97.02863	0.9
98.02401	6.7
100.03934	0.7
103.07555	2.7
113.05972	1.1
116.03432	7.1
124.07572	7.5
127.20345	0.5
130.08575	0.6
131.06966	1.0
141.14661	0.6
142.08620	3.8
147.04376	0.7
156.10172	1.1
160.09631	1.0
165.99487	0.6
166.08617	1.2
174.11241	1.2
177.05452	1.3
184.08118	1.1
184.09656	10.7
202.10715	16.6
220.11760	100.0
221.12112	2.3
241.76640	0.6
345.33725	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	4.7
56.96555	11.2
57.03424	6.9
60.08143	5.3
61.01145	3.9
61.02906	6.3
62.26400	3.4
64.37113	3.7
65.03926	3.8
68.01682	3.1
69.03420	20.5
70.08646	12.0
70.09057	7.9
71.04989	4.4
72.08135	5.9
73.02889	14.2
74.02427	6.6
81.03395	16.1
82.06550	12.0
84.08125	12.8
85.02889	49.6
86.09671	7.2
88.02196	7.8
89.03894	6.4
91.05471	26.1
95.55148	3.4
97.02867	23.6
98.20805	3.8
98.97568	13.5
99.04420	5.8
100.07599	7.9
101.00851	4.6
109.02834	8.6
110.07127	15.5
116.98573	8.6
117.03349	14.7
118.06519	9.3
119.01901	9.5
119.04933	24.1
127.03891	12.7
130.06511	57.8
130.08611	6.6
131.01881	4.0
132.04420	16.7
132.08057	11.4
133.03172	20.4
134.05989	16.2
136.06151	17.5
142.06548	3.7
144.06877	6.3
144.08076	22.5
145.02689	23.1
145.05054	4.4
145.07620	18.9
146.06047	24.2
146.08102	32.8
147.04390	75.4
148.04698	6.5
148.07532	8.6
149.06064	4.5
154.06490	6.7
156.07854	8.5
156.44287	3.6
157.03415	4.6
157.07591	25.6
158.05983	55.3
158.99628	7.7
159.09114	13.3
160.07571	14.3
161.02858	6.2
162.05481	35.3
169.07597	15.2
170.05984	7.1
170.08315	5.6
171.09134	9.2
172.07570	11.7
173.02908	5.2
174.05518	4.6
175.08655	68.3
177.00682	6.4
177.04068	4.5
177.05464	48.9
182.05920	6.2
183.09171	10.6
184.06152	5.5
184.07474	7.1
185.07056	22.3
186.05455	7.0
187.08653	12.1
188.18324	4.3
191.04071	4.4
192.10484	30.3
195.09229	4.3
196.07616	4.4
198.05663	5.3
199.08586	9.2
200.07033	12.2
203.08145	24.5
204.06519	60.6
207.09180	6.2
210.09129	5.9
212.07080	11.6
213.06500	7.2
215.08066	15.0
216.06668	4.5
216.08829	10.7
217.09683	14.7
221.04994	4.0
221.09163	100.0
228.06532	5.1
231.07564	13.4
233.07056	4.0
233.09184	12.2
237.02757	5.5
237.10143	5.8
245.05054	5.0
245.09196	9.5
251.11272	5.2
251.15054	4.7
257.09344	4.5
261.02896	4.2
263.10135	20.6
269.05524	3.5
269.09128	11.3
281.09070	7.0
299.10245	40.1
301.11710	4.6
315.10941	4.3
315.12894	4.3
323.09958	4.8
329.11212	12.9
330.09708	8.0
341.07425	4.5
347.12296	85.3
348.10919	3.9
365.05893	6.4
365.13391	53.5
383.03094	5.8
383.07739	14.7
383.14642	29.0
409.10132	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	381.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	18.5
57.03423	2.5
57.07063	8.2
67.05496	19.4
69.07057	26.5
69.62308	16.2
71.04977	4.7
71.08612	20.7
79.05473	9.2
81.07041	36.0
83.04942	3.5
83.08600	15.7
84.08112	3.4
85.06538	5.4
86.77768	2.5
89.05999	6.3
91.05471	10.6
92.09817	2.1
93.07035	16.2
95.04960	3.1
95.08598	31.7
97.06528	5.5
97.10166	7.5
98.09701	3.0
99.08076	21.2
105.07001	10.8
107.08556	17.9
109.06493	9.0
109.10142	18.2
111.08057	5.0
119.08566	13.7
121.10148	17.5
123.08050	37.4
123.11665	6.3
125.05987	3.2
131.08554	6.5
133.08606	2.9
133.10091	18.3
135.08028	7.8
135.11678	13.1
137.09564	3.5
137.13239	2.5
143.08556	3.0
145.10098	7.1
147.11661	8.7
149.09662	2.6
149.13248	3.6
151.11127	3.3
151.14792	2.9
153.12735	6.2
157.10181	3.2
159.11682	4.2
161.13167	4.0
163.11234	2.4
163.14844	3.1
165.09120	2.5
167.14267	3.1
173.13266	2.2
175.14748	3.2
179.14284	48.7
185.13258	2.1
189.16339	3.8
191.14291	7.0
193.15785	5.4
195.12282	3.0
203.17953	2.6
251.20082	20.5
263.63995	2.7
288.80444	2.2
293.18140	2.4
293.20969	11.5
293.28323	3.9
303.26776	16.5
313.25314	3.2
321.27768	5.0
331.26285	62.6
332.26517	2.9
342.53647	2.2
349.27295	100.0
350.27698	5.5
363.28842	64.4
364.29160	3.7
381.30899	11.4
381.35941	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.3146
Annotation	Phycomysterol A
Peak:m/z	Relative Intensity
53.03931	3.2
53.31017	1.4
55.01855	1.5
55.05501	11.3
57.07070	2.5
57.68223	1.3
62.38349	1.5
67.05495	19.7
69.07060	13.7
70.77144	2.0
70.77484	2.7
71.04964	1.9
71.08634	2.1
75.44432	1.6
79.05482	13.9
79.61677	1.4
80.51691	1.4
81.07045	67.9
81.81421	1.4
83.08593	7.0
85.06530	25.5
88.54865	1.6
89.05967	1.6
91.05467	17.7
93.07029	43.9
95.04948	4.3
95.08596	55.6
97.06530	3.7
97.10160	3.1
99.08074	3.3
105.04544	1.4
105.07014	37.1
107.08578	34.6
109.10152	26.0
111.08050	5.1
117.06991	5.0
119.08563	39.7
121.09313	3.0
121.10123	33.0
123.11698	11.6
129.07030	4.3
130.07730	1.7
131.08530	14.6
133.10118	23.4
135.11687	14.9
137.09596	1.7
137.13188	2.5
139.26219	1.7
143.08481	7.3
145.10112	23.7
147.11674	18.6
149.13234	16.4
151.11188	2.6
154.34595	1.4
155.08557	2.9
156.09268	2.1
157.10112	13.3
159.11653	34.3
161.13200	15.7
163.14778	6.5
169.10149	3.4
171.11636	8.4
173.13246	15.1
175.14790	8.4
175.61951	1.5
177.16409	2.3
183.11687	4.7
185.13257	9.8
187.14804	12.9
189.16362	11.0
191.17955	2.3
195.12039	2.4
197.13223	6.0
199.14787	9.1
201.16360	8.3
203.14212	2.0
203.17952	5.3
211.14923	3.1
213.16354	12.3
215.17969	5.1
217.19359	1.8
225.16362	5.0
227.17955	6.1
229.19482	4.4
239.17970	4.4
241.19432	4.7
243.21051	3.1
253.19472	4.6
255.21146	3.3
257.18924	2.8
257.22623	3.2
259.20633	1.9
267.21066	4.4
269.22601	8.0
271.20639	2.0
281.22510	4.8
283.24216	7.2
293.22552	2.6
302.27554	1.6
307.24255	2.3
363.30295	25.7
381.31458	100.0
382.31894	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	381.0786
Annotation	Piclamilast
Peak:m/z	Relative Intensity
67.08012	0.7
70.50197	2.7
71.20436	0.8
93.34101	0.7
118.54316	0.7
165.19852	0.7
176.57225	0.8
193.89207	0.8
201.01622	2.4
219.02640	3.1
239.49678	0.7
246.50580	0.9
265.32956	0.9
368.80951	0.8
381.07855	100.0
382.08130	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	381.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	2.2
58.06580	1.1
58.14061	0.9
65.03905	1.0
67.05474	2.7
69.03404	1.7
69.07053	2.5
70.05000	4.2
70.05377	1.6
70.06583	8.5
71.04966	1.7
72.04492	2.3
72.08156	4.6
79.05470	1.9
81.03363	1.0
81.07035	4.6
83.04923	1.0
84.04450	2.0
84.07629	1.8
84.08131	30.8
85.02906	2.0
86.09676	3.9
87.10002	0.9
88.02196	7.3
91.05463	2.2
93.07026	3.2
94.06542	3.6
95.04963	1.9
95.06870	1.1
95.08585	2.8
96.04434	1.3
96.26502	1.0
97.06506	1.3
98.09677	13.5
99.04462	1.9
100.07603	37.2
105.06989	2.5
107.04930	1.9
107.08561	2.2
109.06477	1.3
110.06007	2.2
110.09602	1.3
112.11222	10.2
119.08514	1.2
120.08019	1.2
121.10130	1.8
122.06071	6.1
122.06773	1.1
123.06365	2.2
123.08059	1.1
124.07565	9.4
125.07825	2.3
129.10216	2.0
129.13879	5.2
131.08531	1.7
133.06461	1.0
133.10124	2.2
134.02722	2.1
134.05960	1.1
136.07561	10.0
137.05965	2.7
137.07895	5.7
138.05440	1.3
138.09111	5.7
139.09462	3.0
140.07080	1.6
145.02870	1.6
145.10098	1.6
147.04422	1.2
149.09637	1.3
150.05444	1.6
164.07065	1.5
166.04990	1.9
168.17470	9.5
169.13367	9.5
171.14896	8.1
172.07571	1.6
173.07097	1.6
174.05522	2.3
177.05421	1.4
184.07520	2.0
187.08684	2.9
188.07014	1.7
194.06047	1.1
197.07008	1.4
199.04834	1.1
199.08617	2.1
200.06960	1.4
201.06580	3.0
205.09866	1.4
209.15350	1.4
210.07632	1.4
211.08594	7.0
211.21683	1.3
212.20946	1.1
213.10213	1.3
214.19118	2.1
215.08153	15.0
217.09769	1.3
221.07117	1.8
224.05803	1.8
224.08987	1.1
225.06578	2.4
229.06062	3.5
229.09685	4.2
233.09187	4.0
236.20061	6.0
238.07375	1.1
239.08119	27.1
240.06566	1.3
241.09753	1.2
242.08138	1.4
243.07600	21.0
244.06094	1.7
245.09219	3.8
248.05516	1.4
253.06009	1.8
257.09186	11.4
259.10825	1.4
260.11560	3.9
260.14764	3.9
261.08652	9.1
265.26321	1.3
267.07605	87.9
268.07855	1.6
269.09164	2.7
271.07141	4.3
275.10239	2.7
282.11050	1.1
285.08652	68.2
286.09329	1.5
287.10278	3.3
289.08167	11.3
289.11353	1.5
295.07083	12.3
303.09732	10.8
305.10342	1.3
307.09360	2.0
307.12753	1.6
307.27393	3.8
313.08115	54.7
314.08524	1.8
321.10751	9.0
321.14456	2.9
331.09198	100.0
332.09384	1.9
339.11804	13.3
349.10193	6.2
349.13965	4.7
363.11664	16.8
380.34683	2.8
381.12845	38.2
381.16690	11.0
381.35809	57.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2174
Annotation	Thr Leu Phe
Peak:m/z	Relative Intensity
55.05495	1.2
56.05024	9.3
57.03429	2.6
58.06585	5.5
61.02894	0.6
67.05479	1.5
68.05007	0.7
69.03404	1.0
69.07053	0.8
70.06575	1.7
71.04958	0.5
71.53502	0.7
72.08125	0.5
73.02903	3.5
73.03994	0.5
74.06066	23.0
79.05470	1.4
81.07035	3.4
82.06571	0.7
83.04963	3.1
83.08589	0.8
84.04485	6.9
84.08118	1.7
85.02883	1.4
86.06036	3.5
86.09689	46.5
87.05560	1.2
87.84217	0.5
91.05452	1.7
93.07007	1.5
95.04966	0.9
95.08568	1.5
97.02856	0.6
98.09659	1.9
100.07589	1.6
101.07122	22.7
102.05539	1.1
103.05457	1.0
103.68064	0.5
105.07030	2.2
107.04942	0.7
107.08572	4.4
109.06480	0.8
109.10127	1.4
111.04468	0.5
115.03893	0.6
117.06990	0.8
119.08562	1.0
120.08083	15.9
120.08931	0.9
121.06472	0.9
121.10135	0.7
124.07563	0.9
124.11217	1.8
126.09114	2.4
126.12762	2.5
127.03983	0.5
129.06966	0.7
131.04967	0.7
131.08511	1.1
133.10124	0.9
135.08023	7.2
136.07533	0.8
138.24605	0.4
141.06955	0.8
141.14093	0.4
142.12244	9.8
143.08546	0.8
143.11766	7.5
145.06456	1.0
145.10168	0.6
147.08005	1.0
152.05672	0.6
153.09065	0.8
154.04967	0.7
157.06544	0.6
158.07304	0.6
158.09627	0.6
159.08005	1.2
159.11635	0.8
161.09615	1.1
163.07491	2.0
164.07045	0.6
166.07304	0.4
166.08612	8.2
169.13336	2.0
173.09589	1.0
173.13225	0.6
178.04984	0.9
182.08731	0.5
187.07565	1.3
187.14383	100.0
188.14774	2.9
201.09032	1.4
201.12689	0.7
203.14270	0.7
205.08519	0.5
205.12198	1.2
212.07028	1.7
215.13870	41.2
216.14142	0.8
219.13719	3.1
221.12813	4.5
229.12250	0.9
233.11652	4.8
247.13298	1.7
249.10999	4.2
279.16992	3.1
290.60233	0.5
307.35254	0.5
335.00443	0.4
362.20309	0.5
380.16513	0.7
380.21390	0.8
380.34674	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.4
55.05504	2.1
57.07063	90.6
59.04985	14.7
69.07049	3.0
69.53829	2.9
69.54229	9.2
71.08614	100.0
72.08983	1.9
81.07015	2.9
81.87302	1.3
83.08614	2.1
85.10163	92.0
87.04468	6.5
89.06004	14.5
95.08571	2.0
97.10135	2.2
99.11703	14.4
103.03912	16.4
103.07536	4.6
107.07043	4.1
107.08576	1.4
111.11729	2.0
119.06998	3.5
133.08585	4.9
137.01790	1.3
141.16342	17.2
147.06471	5.1
165.07527	5.0
181.53903	1.5
191.08975	1.6
195.12241	12.4
199.20512	25.0
205.10625	2.0
209.10126	2.4
223.11772	1.4
243.23128	2.4
248.42996	1.3
252.41370	1.3
279.49454	1.2
345.26135	2.1
363.27148	2.9
363.30957	12.3
380.34470	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	380.191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.9
53.14121	1.2
55.01852	4.6
55.05494	5.6
56.05020	3.7
57.03418	4.1
58.06584	1.6
60.04519	8.0
65.03913	1.8
66.54292	1.5
67.05505	7.2
68.05029	1.9
69.03425	12.4
69.07050	2.9
70.06582	24.0
71.01326	1.7
71.04974	4.5
71.52040	2.3
72.08131	11.8
73.02904	26.0
74.06043	2.3
76.03970	1.5
79.05473	16.9
81.03403	4.6
81.07034	10.1
82.06596	1.4
83.04947	1.7
84.04493	6.1
84.08131	32.2
85.02892	13.4
85.08456	4.3
86.09692	13.8
87.02823	1.3
87.04420	1.9
88.02190	4.1
91.05469	38.1
93.07027	55.4
94.06628	1.7
95.04945	5.5
95.08591	16.0
96.08096	2.2
97.02856	5.2
97.06443	1.7
98.09679	10.8
99.04458	4.8
99.09989	3.6
100.07597	32.0
101.07912	7.6
103.05450	2.1
105.07022	5.2
107.04952	2.4
107.08566	6.6
109.02847	3.3
109.06493	2.9
109.10128	3.8
110.07157	9.2
111.04408	5.5
112.11221	9.4
116.07049	1.5
117.07017	9.2
119.04929	2.4
119.08564	100.0
120.08067	5.0
120.08864	2.3
121.10136	10.3
122.06011	4.0
123.04380	7.0
123.08112	2.4
124.07573	2.2
124.80255	1.4
127.03909	4.0
128.10698	1.8
129.06960	6.4
129.10226	3.3
129.13875	2.6
130.08618	4.2
131.04964	2.0
132.05632	2.4
133.07555	3.1
134.02695	2.2
135.08041	3.9
136.07520	5.0
137.05948	4.7
137.09604	15.1
138.09109	1.9
145.04941	2.3
145.06490	1.7
147.04369	3.8
147.08023	56.5
148.08388	2.2
150.05490	1.9
153.09065	12.5
156.07632	2.7
157.03941	3.7
159.07898	1.8
163.06047	2.0
163.07471	1.5
165.09090	77.5
166.15892	4.9
167.16185	1.8
169.13332	6.2
170.13652	1.8
171.14899	3.3
172.07542	1.6
172.15211	2.3
174.29816	1.4
175.05046	2.5
177.05263	2.5
177.06664	9.2
183.10165	13.2
184.16953	1.7
199.98813	1.7
203.04524	2.4
215.08080	1.5
218.08141	2.0
221.05525	59.3
222.05960	3.5
234.18593	1.8
235.18887	2.0
242.11223	1.4
246.05090	15.0
259.14456	1.5
261.03766	1.7
261.69012	1.4
276.12280	3.6
293.11307	3.5
302.10184	2.1
306.26065	3.4
337.10236	15.0
338.10513	2.7
362.24918	1.8
379.34305	6.9
380.10556	40.4
380.18317	3.6
380.26410	6.4
380.34521	44.7
381.11139	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	380.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.3
55.05500	2.7
56.05025	1.9
56.79610	1.1
57.03436	1.5
60.04512	8.8
63.95897	1.1
67.05499	4.7
67.32944	1.1
68.05024	1.7
69.03423	2.4
69.07050	7.3
70.06579	11.5
70.80951	3.8
71.04977	2.1
72.04501	1.2
72.08142	4.1
73.81246	1.1
74.06097	1.5
77.62077	1.1
79.05483	3.1
80.05010	1.9
81.03422	1.7
81.07046	2.3
83.04992	1.7
84.04482	2.7
84.08131	11.7
85.02887	2.6
85.06531	2.0
86.09703	14.5
88.02216	2.9
89.20695	1.1
91.05482	2.0
93.07039	4.2
94.06571	14.1
95.04961	4.3
95.08596	2.0
96.04481	1.2
98.06030	1.4
98.09747	1.5
100.07623	7.2
105.07033	2.4
107.08595	2.9
108.08083	1.7
109.02910	1.4
109.06493	1.5
109.10100	1.4
110.06018	2.3
110.07140	2.2
112.07583	2.5
114.48449	1.4
116.05001	1.9
117.07074	1.4
119.08569	2.4
120.08092	4.8
122.06014	42.3
123.04381	1.7
123.06304	1.4
124.03949	1.7
124.07581	2.7
126.09124	1.3
127.03938	1.6
128.10683	2.8
129.10245	3.4
129.13904	1.7
130.08560	1.5
131.08592	1.8
133.10074	1.6
135.11723	3.1
136.06160	1.2
136.07585	4.1
137.06061	1.3
137.08351	1.2
138.09126	7.2
140.07047	49.9
144.04446	5.0
144.08012	1.3
146.05992	10.0
147.04355	1.4
154.08528	1.3
155.06958	1.2
162.05470	3.6
172.03920	46.2
173.04239	1.3
173.41951	1.3
174.05444	5.7
178.08557	1.4
183.10294	1.6
190.04933	1.9
204.06538	100.0
205.06967	1.8
206.08104	32.2
207.08394	1.7
229.15392	1.8
242.11975	1.4
244.09138	2.6
259.14447	7.4
259.79007	1.3
300.12286	1.5
313.11868	2.6
331.09500	1.4
331.12802	6.0
344.24252	1.3
345.14407	79.2
346.14478	2.6
362.25229	3.8
363.15347	6.1
380.15216	7.3
380.26413	11.5
380.34372	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	379.1573
Annotation	Abafungin
Peak:m/z	Relative Intensity
51.84647	0.3
55.05497	0.7
56.05017	1.2
57.03425	1.1
58.06589	0.4
60.04536	0.3
61.02911	0.3
63.02355	0.3
68.05006	0.6
69.03423	0.8
69.07069	0.4
70.06580	2.9
70.86173	0.8
70.92969	0.3
71.04977	0.7
72.08137	1.0
73.02905	0.6
73.06540	0.7
74.06068	8.8
75.04461	1.5
79.05485	0.4
81.03389	0.7
82.06562	0.7
83.04943	0.5
83.06143	0.3
84.04509	0.8
84.08123	1.7
85.02895	3.0
86.06047	0.4
86.09689	3.7
87.00809	0.6
89.03899	0.6
91.05471	1.3
94.06538	0.4
95.01326	0.6
95.04939	0.4
97.02874	1.1
98.06034	1.4
98.97563	0.3
99.04442	0.9
100.07609	0.7
101.05984	0.8
101.07081	0.3
103.03922	1.0
105.01820	0.4
109.02880	0.7
109.06463	0.5
110.07153	0.5
113.02373	0.7
116.07070	1.5
117.03339	0.4
119.04893	2.0
120.04456	0.7
120.08077	0.4
121.06499	0.4
127.03860	2.1
130.06531	0.8
130.08612	0.6
132.04431	0.3
132.10181	2.8
136.07562	0.6
137.05975	3.0
138.05403	0.5
138.06349	0.6
140.06972	0.4
145.02777	1.4
147.04402	4.9
162.09129	0.6
163.03906	0.6
169.02605	1.3
169.06441	0.5
170.06876	0.3
177.05383	1.9
183.09973	0.3
187.06090	0.5
187.14383	1.2
188.07129	0.4
197.05861	0.5
201.09097	0.4
203.06975	0.7
208.06155	0.4
208.09698	1.0
215.01680	0.4
215.13821	0.5
217.10460	9.7
221.39606	0.3
229.08655	0.5
233.02618	6.2
233.14938	10.1
233.17166	0.6
234.99124	0.5
243.07813	0.4
257.08096	0.7
257.14923	0.5
259.11801	0.5
275.15985	1.9
343.13116	0.3
361.14468	0.7
361.19119	0.3
379.06180	4.8
379.15689	100.0
379.69827	0.3
380.15967	4.8
389.07394	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73117	0.9
53.03936	1.4
55.01881	1.4
55.05483	1.0
56.05028	1.1
65.03951	1.0
67.05492	3.2
68.56316	0.9
68.99796	2.2
69.03419	2.3
69.07050	5.1
69.58602	7.3
70.06580	3.0
72.08163	1.9
79.05483	1.4
81.07065	2.5
84.08125	6.2
86.09728	4.0
86.87612	0.9
88.03993	1.0
91.05479	2.7
92.05033	1.7
93.07008	1.8
94.06559	7.4
95.04955	2.1
95.08624	1.6
98.09702	2.2
98.21509	1.2
100.07599	5.1
104.04967	1.8
105.07026	1.3
107.04923	1.8
107.08614	1.6
108.08122	1.4
109.06551	1.4
110.06059	2.9
112.07597	1.6
112.11232	1.8
112.53160	0.9
119.08607	1.3
120.04443	7.0
121.05257	2.9
121.06490	1.2
121.10152	1.2
122.06018	15.9
123.04485	1.7
124.07549	8.4
129.13896	1.4
131.29788	1.0
132.04428	2.0
133.05251	1.1
134.06047	1.5
135.04401	5.8
136.07553	10.4
138.05450	5.4
138.09140	1.4
140.07036	20.3
141.07922	1.1
142.08617	31.5
149.93707	1.1
152.07079	3.3
152.27982	1.2
154.08662	1.2
160.03859	1.5
161.04681	17.7
161.05862	1.5
161.09633	1.4
162.05450	9.7
164.07031	8.2
166.04970	2.0
166.08632	1.2
166.15918	1.2
168.06572	1.1
169.13374	1.4
172.03830	1.1
178.05000	7.5
179.05562	1.4
181.12224	1.1
184.07368	2.3
188.03392	100.0
189.03856	5.5
189.10231	5.2
190.05051	2.7
192.06573	1.5
194.08194	1.5
203.07004	2.3
204.06607	2.3
206.04453	37.4
207.05084	3.0
208.06067	4.4
214.08601	1.3
216.10240	2.6
217.09671	9.8
218.10040	1.3
220.06026	7.9
222.07652	2.9
228.10316	1.3
233.12923	1.9
234.18553	0.9
238.07089	2.5
238.10706	1.5
241.07137	1.3
242.08099	3.6
243.11284	1.4
244.09624	1.2
256.09723	3.2
257.10382	1.5
259.10770	1.3
259.38950	1.1
260.11380	2.5
261.12326	8.1
269.09338	1.0
274.10669	2.2
279.13428	3.2
284.09164	3.9
287.10339	3.2
301.11884	4.2
305.11255	2.5
311.10236	3.5
319.12817	2.1
329.11267	82.3
330.11630	5.7
347.12308	32.3
348.12839	2.6
361.13855	34.6
362.13925	1.1
379.10217	1.2
379.15079	1.8
379.34268	7.5
392.32932	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.4
55.01844	1.7
55.05485	3.5
56.05023	2.0
67.05473	3.9
67.79317	1.4
68.05018	1.6
69.03404	4.7
69.07050	5.2
70.04415	2.4
70.04818	4.4
70.06587	6.7
71.04970	2.1
72.08145	3.0
73.06535	5.2
80.05016	1.7
81.03407	3.0
81.07049	2.0
82.06563	1.8
83.04944	1.4
84.04494	2.9
84.08153	6.8
85.02890	8.8
86.06037	1.7
86.09672	2.8
87.00830	1.4
91.05470	9.3
93.07011	8.6
94.06036	1.6
94.06534	8.3
95.04969	4.6
95.08599	2.2
95.13505	1.1
96.04494	9.1
97.02892	6.5
97.06510	1.7
97.16879	1.2
98.09659	1.2
99.04436	3.6
100.07600	1.4
101.06010	2.9
103.03897	4.5
105.07024	1.3
107.04945	1.7
108.08112	4.1
109.02848	3.0
110.05997	5.2
111.08072	8.0
117.06987	1.7
119.04940	6.3
119.11701	1.2
120.04443	8.7
120.08067	3.8
121.02869	1.4
121.06473	4.2
122.02426	2.5
122.06005	19.8
123.04433	1.6
127.03885	8.3
134.06009	2.3
134.09619	5.0
135.08009	3.5
136.03908	2.4
136.07571	10.5
137.05969	5.0
138.01830	4.5
138.05475	11.6
138.09106	2.5
139.07498	2.1
140.07034	11.5
145.02823	2.0
145.04968	1.9
145.06413	1.2
146.05946	2.9
147.04384	16.9
148.03865	2.7
152.07056	1.3
152.10670	3.1
154.08565	6.2
162.05473	5.5
162.09108	31.2
163.07492	2.0
163.09412	1.3
164.03423	5.3
164.07088	1.7
166.04982	3.2
169.02600	5.7
170.04497	1.7
172.06032	16.8
177.05467	4.6
180.06609	1.8
180.10164	28.2
181.10400	1.7
182.04532	1.4
190.04970	5.6
190.08617	4.7
192.02971	1.5
196.05943	6.5
198.07603	3.3
199.09650	1.7
206.04459	2.0
208.09644	100.0
209.10159	1.7
210.11226	2.3
215.01541	1.7
217.09709	6.2
221.05594	2.2
222.07605	2.0
224.05484	3.1
233.02643	25.4
234.99026	1.7
237.10172	3.8
238.08600	1.8
240.08621	2.2
251.08031	4.1
252.08804	1.5
255.11398	2.3
256.09631	2.7
258.11185	2.1
259.11472	2.3
265.09647	3.7
266.07947	2.4
266.10504	2.1
267.08588	1.9
267.11197	10.1
268.82538	1.4
269.09271	1.6
270.07339	1.6
271.07883	2.1
283.10724	7.2
284.09106	2.9
285.12317	1.7
287.10309	1.3
293.09024	4.1
297.12265	1.9
301.11710	6.4
302.10092	2.9
310.09579	1.6
311.10199	5.8
312.08560	6.8
325.11850	5.9
329.11292	22.4
330.09552	11.1
343.12839	28.5
344.11127	14.7
347.12393	20.5
348.10596	6.6
361.13882	23.3
362.14096	1.6
365.13373	3.2
379.06470	16.1
379.14932	50.7
379.34378	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	2.6
57.07066	100.0
59.04712	3.0
59.04992	44.5
62.64816	1.9
67.05473	1.6
68.79749	1.5
69.07037	4.6
70.17982	7.8
71.08621	95.6
73.02892	7.4
77.12973	1.8
83.08598	2.1
85.10169	92.9
87.04456	27.8
89.05979	3.3
95.08583	2.3
98.20851	2.9
99.11702	12.0
100.07630	2.1
103.07554	2.2
117.09100	14.1
137.28935	1.8
141.16356	9.6
151.09558	1.7
199.20581	15.2
226.42397	1.9
242.24449	1.7
257.24713	11.7
361.29694	1.8
372.60211	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	378.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	2.6
57.07066	100.0
59.04712	3.0
59.04992	44.5
62.64816	1.9
67.05473	1.6
68.79749	1.5
69.07037	4.6
70.17982	7.8
71.08621	95.6
73.02892	7.4
77.12973	1.8
83.08598	2.1
85.10169	92.9
87.04456	27.8
89.05979	3.3
95.08583	2.3
98.20851	2.9
99.11702	12.0
100.07630	2.1
103.07554	2.2
117.09100	14.1
137.28935	1.8
141.16356	9.6
151.09558	1.7
199.20581	15.2
226.42397	1.9
242.24449	1.7
257.24713	11.7
361.29694	1.8
372.60211	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	379.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68948	0.4
53.03931	0.5
54.03442	0.9
55.01861	0.8
55.05488	1.3
56.43527	0.4
57.03426	0.8
58.06573	0.5
58.15402	0.4
58.59729	0.3
67.05483	1.1
68.04999	0.6
69.03407	0.9
69.07052	0.6
70.06579	4.4
70.10606	1.7
72.04517	0.7
72.08142	2.0
73.02886	0.7
75.24511	0.5
79.05464	1.5
80.42573	0.4
81.03411	0.7
81.07047	0.5
82.06555	0.6
84.04472	0.9
84.08130	11.2
85.02875	1.9
86.09676	1.3
88.03970	0.5
88.87164	0.4
91.05459	1.6
93.07011	1.9
94.06566	1.0
95.04921	0.5
95.08585	0.8
98.09673	5.5
99.04429	0.8
100.07597	12.5
103.03911	0.9
105.06986	0.7
109.02879	0.6
110.07142	0.6
112.11227	3.6
119.08543	1.4
120.04507	0.6
120.08039	0.9
120.35603	0.4
122.06009	1.3
124.05029	1.1
124.07603	0.4
125.08340	0.7
127.03874	1.6
129.10211	0.8
129.13857	1.7
130.04962	0.9
136.07552	0.8
137.05951	0.5
138.05429	0.7
147.08002	1.2
149.04552	1.6
156.07698	0.6
160.11147	0.4
162.09077	1.7
164.06978	0.5
165.09096	0.6
166.04941	0.8
166.07143	1.1
166.15898	2.1
167.08620	0.4
169.13330	2.4
171.14912	2.4
172.03766	0.5
172.06087	0.7
177.05396	0.7
180.10120	1.2
189.06439	1.0
192.10164	0.4
196.06088	0.5
201.06442	1.9
202.07187	3.1
203.07979	3.0
204.06635	1.1
204.08755	10.9
208.09595	3.2
209.20123	0.6
215.07877	1.3
216.08765	100.0
217.09497	5.7
218.10332	9.2
221.05455	1.4
225.06363	3.1
226.07121	1.3
227.07974	1.1
228.08781	1.2
229.09554	1.8
230.06798	0.9
230.10330	11.4
232.14055	0.8
234.18517	1.4
240.08763	25.4
241.09267	1.6
242.10345	6.0
244.08261	2.5
246.09834	16.0
246.11852	0.2
255.09677	0.8
258.09818	7.7
259.09744	0.6
268.08203	1.1
283.09274	2.4
285.10641	0.6
286.09296	32.4
287.09442	1.5
299.09946	0.5
305.25772	1.0
311.08923	0.8
315.11945	2.2
329.09933	1.5
333.13013	2.7
337.10205	0.4
343.12296	1.6
347.10843	3.9
347.78033	0.5
361.12579	6.4
379.13559	56.0
379.34229	18.4
380.13779	1.3
389.60846	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.3253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.9
57.03418	4.6
57.07066	74.5
59.04990	64.4
60.54583	1.2
60.81546	1.6
66.60703	1.2
67.05495	1.9
69.07049	4.1
70.85320	2.1
70.85666	3.3
71.08620	100.0
78.59109	1.4
81.07031	3.4
83.08612	3.3
85.10168	61.5
86.10496	1.4
89.06015	59.2
95.08572	2.4
97.06504	1.6
99.08038	1.6
99.11714	2.4
101.09618	2.6
103.07561	6.5
107.07022	6.7
115.07594	1.5
116.78781	1.6
117.09128	16.6
127.14825	5.8
130.08580	1.9
133.08577	25.1
151.09634	5.5
175.13234	1.5
177.11177	5.9
185.18991	6.1
195.12253	47.9
226.21519	1.5
228.95796	1.5
243.23129	5.3
275.76462	1.6
349.33868	1.6
377.24835	1.9
377.32581	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
55.01855	3.6
55.05504	8.5
56.96557	1.2
57.03430	2.2
58.99568	2.7
65.03903	1.3
67.05489	18.4
69.03416	1.4
69.07059	10.7
70.06583	3.0
71.04990	8.1
71.49377	2.7
72.08134	2.8
74.00647	7.8
76.02216	2.6
79.05460	9.4
81.03377	1.5
81.07040	55.9
83.04965	5.0
83.08576	5.7
84.08143	1.8
85.02890	1.5
85.06522	3.4
87.04449	1.7
88.03962	1.9
91.05458	14.4
93.07024	11.2
94.06547	1.4
95.04955	3.7
95.08588	12.3
97.02873	2.4
97.06506	5.8
99.08061	3.0
100.02189	3.7
101.06027	1.8
105.00054	1.2
105.05505	1.5
105.07010	29.3
107.08567	12.1
109.06496	4.9
109.10114	2.6
110.06016	3.7
115.03899	3.6
119.08558	20.7
120.01140	15.0
120.08063	1.5
121.10120	20.8
122.02707	10.1
122.06017	2.7
123.08049	3.6
123.11675	25.2
124.07561	5.1
125.08331	4.6
126.09146	17.7
127.07510	3.7
131.08540	1.9
133.04948	5.4
133.10114	3.6
145.10117	1.8
147.07904	1.8
147.11656	69.5
156.57712	1.4
157.10101	3.3
159.06371	1.3
159.07916	1.6
159.09300	1.2
165.12714	42.1
175.11118	4.5
175.15384	1.2
175.90218	1.2
178.59128	2.4
179.57988	1.4
183.13808	7.9
185.58167	1.7
192.58910	5.9
193.12178	8.4
201.59322	1.5
211.13271	4.9
215.59142	4.4
219.14145	1.2
229.14302	46.2
238.59418	2.3
245.57771	2.4
245.60097	12.9
245.62094	1.3
246.10332	1.6
251.11691	1.6
254.60745	2.7
255.10835	1.9
268.06671	1.3
270.59344	4.8
271.09235	2.5
279.15891	3.5
283.10886	1.8
283.60629	1.3
286.34326	1.5
290.09912	1.8
292.13007	1.6
297.13293	1.7
297.16913	22.4
306.11148	4.0
306.61060	2.4
307.15302	1.5
315.11737	2.5
320.61234	1.4
325.16400	100.0
326.16650	3.6
329.61560	2.8
336.85522	1.3
343.17453	9.0
344.89740	1.3
358.15506	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	377.145
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
53.03923	1.2
55.01836	0.9
57.03429	7.1
58.58456	0.4
59.04970	0.9
61.02919	3.4
64.76241	0.5
67.02807	0.4
69.03418	12.6
69.59151	1.6
69.59572	1.8
70.06541	0.8
71.01336	2.6
71.04982	3.2
73.02878	2.1
74.00156	0.5
75.04447	2.0
81.03420	3.4
81.07040	0.8
84.08127	1.0
88.02190	1.0
91.05418	0.8
99.04441	5.0
107.77506	0.5
117.05441	1.3
120.08026	0.6
121.06493	0.4
137.05974	3.5
145.07539	1.3
170.07095	1.1
172.08659	26.2
173.08954	0.9
174.10262	0.8
175.08658	0.6
179.10637	1.8
190.09723	1.5
197.11713	1.4
198.06633	5.3
200.08165	4.2
215.14726	0.7
216.07639	15.0
217.07961	0.4
243.08728	64.4
244.06958	1.2
244.09135	2.1
302.88455	0.5
316.12277	0.5
343.00406	0.5
359.13300	2.1
362.94211	0.5
377.14465	100.0
378.14838	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	376.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07064	31.9
58.07402	0.4
59.03354	0.1
61.92057	0.1
69.73466	0.6
84.08143	0.3
102.09165	0.3
105.11684	0.1
108.04473	0.4
119.08500	0.1
124.08692	0.3
125.07085	4.0
126.05492	3.5
126.07464	0.1
127.03936	0.2
134.07104	0.3
135.05525	0.5
136.03891	0.2
174.09145	0.2
190.13359	0.1
191.11726	0.8
192.10233	0.2
208.14391	1.7
208.16167	0.1
209.12808	9.7
210.11255	1.3
210.13141	0.3
216.10315	0.2
217.10527	0.3
218.10844	0.2
218.12814	3.7
219.11209	2.3
219.13113	0.3
228.11354	0.2
260.15231	1.0
274.19092	0.5
275.17477	6.7
276.17862	0.2
287.60675	0.1
291.19193	0.2
292.20126	8.5
293.18463	7.0
294.19016	0.2
302.18567	15.7
303.18884	0.7
304.18069	0.4
332.21158	0.4
343.22467	0.5
358.24799	1.3
376.25848	100.0
377.26166	6.1
377.31195	0.1
393.28818	0.2
394.26938	5.1
395.27368	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23345	1.4
53.03927	4.5
55.01860	9.3
55.05300	1.5
55.05505	17.0
57.03421	9.9
57.07054	4.4
58.99592	1.5
59.04982	3.9
61.02920	11.2
65.03919	2.0
67.05161	1.8
67.05492	17.4
67.45464	1.5
69.03063	2.3
69.03419	31.2
69.07053	45.4
69.66304	10.9
69.66621	1.1
70.06581	8.5
70.48341	1.3
71.04975	11.9
71.08630	1.7
72.08145	2.9
73.02895	6.6
77.03883	1.4
79.05484	12.3
81.03411	14.6
81.07040	48.4
83.01327	2.5
83.04977	9.1
83.08599	11.0
84.08086	3.9
85.02891	72.1
85.06056	2.6
85.06523	24.7
86.09689	6.4
87.04457	9.9
89.95273	1.5
91.03938	4.2
91.05457	11.4
93.07025	24.4
95.04957	6.8
95.08591	48.9
97.02876	28.1
97.06511	7.5
97.10162	11.0
99.04427	5.4
99.08076	20.8
103.05464	2.9
105.07006	16.0
107.04915	3.7
107.08574	30.2
109.02871	12.4
109.06472	3.3
109.10140	25.7
111.08048	5.0
111.11706	6.5
113.09644	10.3
115.03926	2.9
115.05379	2.2
117.06931	2.3
119.04899	2.9
119.08551	9.0
120.08095	4.3
121.02837	1.3
121.06469	4.0
121.10120	42.5
122.05994	3.1
123.04413	2.1
123.08029	3.0
123.11684	20.3
125.05992	2.0
125.09607	10.0
125.13226	2.2
127.03893	19.1
127.11169	2.1
129.12772	1.9
131.04903	4.4
131.08540	3.3
133.06476	4.3
133.10130	5.4
135.08020	2.9
135.11665	25.9
137.05966	8.7
137.09579	3.9
137.13229	25.0
138.02180	3.8
139.11172	10.8
143.08568	1.5
145.04944	15.8
145.06097	2.4
145.10088	5.3
145.35391	1.4
147.04379	5.0
147.11664	6.1
149.09541	1.8
149.13234	6.1
151.07559	4.8
151.14796	6.5
153.12700	14.0
159.11659	3.2
161.05956	4.7
161.09621	2.4
161.13243	2.2
163.03860	1.7
163.07509	3.3
163.11131	2.5
165.05534	1.9
165.09120	2.5
165.12714	2.1
167.07001	16.1
167.10623	2.1
175.07518	6.6
175.14755	2.5
177.05406	1.7
177.09094	11.6
177.16362	100.0
178.16721	2.8
179.03275	1.5
179.06999	5.2
179.10703	1.9
183.13802	1.8
191.07037	3.7
193.08592	7.9
195.06367	1.7
195.13763	1.6
195.17429	43.3
203.06918	2.8
203.17844	1.5
211.16856	3.7
212.17186	2.2
213.18463	69.0
217.37750	1.4
218.08069	3.5
236.09091	1.9
303.19250	1.6
303.23135	3.1
315.12360	1.8
321.24002	2.4
329.14127	1.9
338.11539	5.3
345.13123	3.3
357.13269	4.2
375.15009	9.9
375.23688	9.3
385.24326	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	375.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.1
53.56858	0.7
55.01849	2.8
55.05497	9.0
57.03423	0.8
57.07057	1.7
61.53024	0.6
67.05492	8.1
69.03425	3.7
69.06718	1.2
69.07058	12.9
70.06567	2.3
70.51875	0.7
70.52231	2.3
71.04980	3.3
72.08149	1.0
73.02921	1.4
77.56397	0.6
79.05473	6.3
80.05021	0.6
81.03391	0.9
81.07042	26.1
82.07383	0.9
83.04968	0.9
83.08207	0.7
83.08617	8.5
84.08119	1.6
85.02884	6.1
85.06526	3.9
86.09677	2.1
88.28659	0.6
91.02958	0.6
91.05450	5.2
93.06471	0.9
93.07035	12.9
93.29335	0.6
95.04938	2.4
95.08588	32.1
96.08914	0.8
97.02872	1.7
97.06474	1.2
97.10166	4.3
97.79395	0.6
98.21461	0.9
99.08077	21.5
105.06999	6.1
107.04927	1.0
107.08573	30.6
109.02859	0.8
109.06503	2.2
109.10136	8.2
111.08067	9.6
113.09607	1.8
115.45395	0.7
117.07053	0.8
119.08564	3.2
121.06467	1.6
121.10123	49.5
122.10436	1.4
123.08098	1.2
123.11684	9.5
125.09612	4.4
125.13208	1.0
127.03904	1.1
133.10078	1.1
135.11670	9.7
137.05957	2.2
137.13223	6.4
139.11150	2.2
140.11394	0.7
145.05035	0.7
146.06024	1.0
147.11671	6.9
149.05844	0.9
149.13240	4.0
150.09085	2.2
157.04997	0.7
165.12709	6.6
167.06987	6.7
175.07474	0.9
177.09071	1.0
177.16356	100.0
178.16620	1.8
181.04999	0.8
181.30611	0.6
188.07034	2.2
191.07059	1.0
193.08627	1.1
195.17433	20.9
205.09796	1.0
213.18462	37.6
214.18785	0.8
214.55360	0.7
303.04999	1.6
315.04877	2.7
316.84949	0.7
375.14719	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	375.2367
Annotation	Manglieside C
Peak:m/z	Relative Intensity
53.03951	1.1
55.01859	2.1
55.05490	8.4
57.03429	1.1
57.07059	1.6
61.02922	1.4
67.05504	4.3
69.03402	4.9
69.07053	12.6
69.52520	4.7
69.52924	2.1
70.06580	4.3
71.04978	3.5
73.02874	1.0
76.37119	0.8
79.05464	5.2
81.03408	1.7
81.07040	19.2
83.04973	1.8
83.08604	7.8
84.08173	1.2
85.02885	10.0
85.06523	5.2
86.09681	3.8
91.05492	3.4
93.07026	10.8
95.04965	1.7
95.08588	24.5
97.02877	3.9
97.06510	1.6
97.10161	5.6
99.04411	1.2
99.08073	19.7
105.06990	5.5
107.08575	28.1
107.09285	1.7
109.06473	1.0
109.10138	7.2
111.08053	8.1
111.11695	1.9
113.09627	2.6
119.08549	1.0
120.08176	0.8
121.06564	1.1
121.10117	46.1
122.10494	1.2
123.11686	3.2
125.09612	5.3
127.03892	1.8
133.10056	1.0
135.11681	10.3
137.05954	2.0
137.13243	7.6
139.11192	2.3
145.04915	2.8
146.06041	1.8
147.11676	2.2
149.05981	1.1
149.13269	3.8
151.07578	1.2
151.14848	0.9
153.05553	1.0
153.12741	1.2
161.05952	1.1
165.08958	0.9
165.12685	2.0
167.07063	1.8
177.09116	5.8
177.16353	100.0
178.16713	2.6
185.15347	0.9
188.07065	1.4
193.08568	2.3
195.17407	24.1
195.19077	1.7
199.19138	1.0
213.18456	47.1
227.08101	0.9
229.06790	1.1
271.26294	0.9
315.09723	1.2
375.11807	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.237
Annotation	Manglieside C
Peak:m/z	Relative Intensity
50.01237	0.4
53.03926	1.3
55.01859	2.7
55.05495	8.2
56.05003	0.4
57.03417	1.6
57.07058	1.7
58.04198	0.4
59.04989	0.5
61.02902	1.1
64.44525	0.6
64.85873	0.4
65.03907	1.2
67.05489	15.6
69.03415	4.7
69.07050	14.8
70.06580	4.3
70.82105	0.7
71.04984	4.7
71.08614	0.9
72.08127	1.1
73.02888	1.5
78.04712	0.5
79.05480	10.4
81.03385	1.5
81.07039	44.7
82.06568	0.7
82.07358	1.3
83.01324	0.5
83.04970	2.5
83.08601	8.1
84.08130	2.0
85.02885	7.2
85.06514	3.6
86.09691	4.8
88.03959	0.4
91.04891	0.6
91.05451	8.2
93.07028	15.9
94.06509	0.5
95.04947	3.2
95.08587	36.1
96.08907	0.6
97.02851	1.8
97.06506	2.3
97.10158	4.4
98.42227	0.4
99.04436	0.8
99.08074	21.1
100.08376	0.4
101.02358	1.6
103.03903	0.6
103.05384	0.9
105.07008	12.8
107.04958	2.5
107.08570	33.0
108.08894	0.9
109.02853	1.1
109.06503	3.2
109.10130	9.4
111.00764	0.7
111.04414	0.5
111.08063	8.5
111.11700	0.6
113.05927	0.5
113.09622	2.0
115.05464	0.4
117.06991	1.0
119.03423	0.8
119.04919	0.7
119.08559	6.2
120.08068	0.8
121.06487	1.5
121.10118	50.8
122.06005	2.1
122.10436	1.1
123.04387	1.5
123.08044	2.0
123.11678	19.2
124.07568	1.6
124.12003	0.9
125.05972	0.9
125.09614	6.1
125.13226	0.4
127.03856	1.8
127.11171	0.7
128.06140	0.5
129.01753	1.1
129.05455	0.5
129.07002	0.5
129.10184	0.6
131.04877	1.8
131.08545	1.0
133.06506	0.7
133.10100	1.9
135.08023	0.9
135.11668	9.5
136.07544	1.4
137.05959	5.9
137.09557	0.6
137.13225	8.9
139.07458	0.6
139.11163	1.5
140.07048	0.8
143.11761	1.8
144.05688	0.4
144.07986	0.8
145.04962	0.8
145.06476	0.5
145.10114	1.2
146.05952	1.1
147.04393	0.6
147.11659	13.3
148.12019	0.6
149.05945	1.0
149.13240	3.7
150.09114	2.7
151.03871	1.1
151.07503	1.5
151.11192	0.5
151.14804	0.4
152.04701	0.5
153.01859	0.6
153.05394	1.4
153.12621	0.6
155.10583	0.4
157.10042	0.6
159.08005	0.5
159.11642	0.7
161.05952	2.4
163.03865	0.6
163.07516	1.9
163.11143	0.8
164.07098	0.9
165.05516	0.6
165.11388	0.9
165.12723	12.1
167.07007	12.7
168.07343	0.5
169.08617	1.0
171.11432	0.6
175.07489	2.3
175.14934	0.5
177.05452	0.6
177.09068	1.8
177.16348	100.0
178.04907	0.5
178.16682	2.4
179.07010	1.0
181.04872	0.7
183.13670	1.0
185.07063	0.7
188.07001	3.3
189.05547	0.5
191.07031	1.4
193.08501	1.5
194.07246	0.6
195.08206	0.5
195.17410	18.0
196.13269	1.1
199.08595	0.5
203.06973	1.8
205.09804	1.1
209.07959	0.5
213.18452	36.8
214.14407	0.6
223.07468	0.6
235.07407	0.7
236.08124	0.5
251.06909	0.9
253.08644	0.5
255.11313	0.5
265.08539	0.7
269.09399	0.4
279.10025	0.4
283.09702	0.8
295.09656	0.5
303.04865	0.6
307.09506	0.6
315.04877	2.4
315.12253	1.1
325.10547	1.1
327.12048	1.0
330.11737	0.5
331.12027	0.4
345.13293	0.6
357.13174	2.3
370.91815	0.5
375.03641	0.5
375.10822	1.0
375.15390	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	375.1644
Annotation	Dihydrosyringin
Peak:m/z	Relative Intensity
50.88311	0.4
53.03926	0.8
55.01857	0.6
55.05484	1.2
56.05006	0.6
57.03411	1.6
58.06548	0.4
60.04493	0.7
61.02895	1.6
67.05483	1.0
68.05000	0.5
69.03408	4.5
69.07039	1.7
70.06580	4.6
70.07388	0.4
71.04954	0.6
71.55003	0.7
71.90633	0.4
72.08143	4.3
73.02882	1.1
74.06070	0.6
74.14029	0.4
76.59657	0.4
79.05476	2.0
81.03387	2.2
81.07049	2.3
82.06563	0.4
83.04964	0.9
84.04466	1.6
84.08135	2.7
85.02883	13.7
86.09685	11.8
87.04419	0.6
87.05562	0.5
87.10028	2.4
88.02174	0.9
88.03961	1.1
91.05460	9.1
92.05768	0.4
93.07030	4.8
95.04942	0.9
95.08572	1.2
96.08067	0.4
97.02876	2.8
97.06513	0.4
97.10139	0.4
99.04420	0.9
101.07098	0.4
105.07007	9.0
107.04912	1.0
107.07848	0.7
107.08569	12.8
108.08887	0.3
109.02837	1.5
109.06481	1.1
110.07149	0.9
111.04358	0.6
112.08707	0.4
116.07034	0.8
117.03349	0.5
117.06982	0.6
119.04922	1.7
119.08554	23.0
120.05247	1.0
120.08046	1.2
121.02821	0.4
121.06493	1.0
121.10121	6.0
122.02699	0.4
123.04377	0.7
123.08002	1.9
123.11677	0.5
124.07557	0.8
125.05948	0.7
125.09654	0.5
127.03921	2.9
127.07532	1.7
129.10207	2.4
130.04945	0.9
130.06506	0.5
131.08530	7.4
133.06450	1.0
133.10098	2.7
135.04332	0.5
135.08011	2.4
136.07463	0.6
137.05946	3.3
137.09541	1.2
143.11687	0.4
145.02791	1.3
145.04953	1.1
147.04378	4.8
147.08006	7.1
148.04739	4.3
148.05885	0.6
149.05974	1.5
149.09573	8.8
151.11070	0.6
152.07030	0.6
153.05437	1.1
157.07605	0.4
159.08026	2.6
161.05937	0.7
161.09222	0.7
163.07559	0.4
165.05356	0.7
165.09084	9.9
167.06972	1.5
167.10648	2.9
171.07736	0.4
177.05499	2.3
177.09084	8.5
178.05872	0.6
183.11273	0.6
191.07071	0.7
195.06435	0.8
195.10123	11.3
199.18004	0.6
200.13799	1.0
200.18268	1.5
203.06926	0.5
213.11168	100.0
214.11433	1.9
219.13457	0.5
228.13226	0.5
228.17828	1.4
262.14636	0.5
375.12418	1.5
375.16498	0.7
375.23471	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.6
55.01857	1.1
55.05501	1.2
56.05014	0.8
57.03412	0.5
65.03915	0.6
67.05490	2.5
69.03393	0.9
69.07048	1.6
69.84151	2.7
70.06585	0.8
72.08137	1.1
79.05482	3.3
81.03382	0.9
81.07036	4.1
83.08603	0.9
84.08123	1.7
85.02872	0.8
85.06522	0.6
86.09700	4.9
91.05461	4.1
93.07043	3.9
95.04944	1.9
95.08614	3.5
97.06490	0.9
100.07575	0.8
101.28143	0.4
103.05452	2.0
105.03358	0.6
105.07017	9.9
107.04922	1.4
107.08567	3.1
109.02850	0.7
109.06503	1.7
109.10133	1.6
110.03571	0.7
111.04405	1.1
111.08064	1.0
115.05424	2.4
117.06998	3.2
118.04153	0.5
119.04926	2.0
119.08551	1.2
121.02874	0.5
121.06487	2.1
121.10133	2.6
122.05981	0.6
123.04376	1.6
123.08051	2.3
123.11715	1.2
124.07575	3.9
125.05979	0.6
128.06189	0.9
129.06984	0.6
130.08627	0.7
131.04933	0.8
131.08519	0.6
132.05688	0.7
132.08023	0.4
133.06477	9.1
133.10112	0.9
135.04442	0.7
135.08015	1.5
135.11656	0.7
136.06161	0.5
137.05931	3.0
137.09660	0.7
137.13223	0.6
140.07060	0.6
143.06047	0.6
143.08540	1.3
145.06509	0.8
145.10115	1.2
146.06070	0.7
147.07976	0.7
147.11612	1.0
149.05939	1.1
149.09592	1.0
151.03923	1.1
151.07512	11.3
152.04639	0.8
154.47446	0.5
157.10069	0.5
159.09198	1.1
160.05176	0.8
161.05983	7.4
162.06738	2.5
163.03886	0.5
163.07504	0.9
165.09084	0.8
165.12796	0.6
165.21626	0.4
167.07013	16.1
167.08429	0.9
171.08069	0.8
175.07477	2.2
177.09079	100.0
177.16318	1.2
178.09409	3.9
179.06970	0.6
179.10567	0.6
185.09529	0.5
186.69228	0.5
191.06966	0.5
193.08572	42.0
194.08905	1.5
195.10172	6.8
203.10590	1.1
203.13966	0.5
205.08513	0.9
221.11685	9.9
222.12112	0.6
246.06335	0.6
271.05994	0.5
283.09912	0.6
297.11469	0.5
303.22772	0.7
313.10648	0.7
315.12909	0.6
329.14413	1.4
339.25046	0.6
343.12711	1.9
345.13284	1.0
346.36789	0.5
357.13226	1.5
375.15051	2.6
375.19208	0.7
376.12259	0.5
376.16458	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.8
55.01861	6.9
55.05497	9.7
57.07072	2.0
67.05500	12.6
69.03413	6.5
69.07055	8.7
69.62861	11.4
70.06590	2.5
71.04984	8.6
73.02895	1.7
74.29435	1.6
79.05485	27.8
81.03399	2.3
81.07046	39.4
81.07526	2.2
83.04978	12.1
83.08611	4.6
85.02874	2.6
85.06544	5.6
91.05465	17.6
93.07034	56.0
93.07629	2.7
95.04956	14.2
95.08593	35.1
97.06516	16.9
99.04439	15.6
103.05478	2.3
105.07013	35.4
107.04950	7.7
107.08582	34.6
109.02838	3.4
109.06493	25.1
109.10147	7.0
111.04453	2.3
111.08074	12.3
113.05978	3.0
115.05451	1.8
117.07003	5.2
119.04945	3.6
119.08567	19.3
120.08073	1.6
121.06487	58.3
121.10121	9.0
123.04414	4.0
123.08055	4.0
123.11684	5.3
124.07593	2.4
125.05976	7.5
125.09600	1.9
127.03844	2.4
127.07543	10.0
128.06171	1.8
129.06978	5.2
131.04916	3.1
131.08572	6.0
133.06453	5.3
133.10107	19.8
135.04407	6.4
135.08035	18.0
135.11678	3.7
137.05960	13.8
137.09581	2.9
137.13264	3.4
139.07538	9.6
142.07764	4.3
143.06989	8.5
143.08481	7.6
145.06413	1.8
145.10094	13.1
147.08025	5.2
147.10500	2.8
147.11662	46.2
149.05962	2.1
149.09586	2.1
149.13266	3.1
151.03906	2.8
151.07526	6.2
153.09033	2.7
155.07013	1.5
156.09306	3.6
157.08716	3.3
157.10117	15.9
159.06555	4.8
159.08012	2.0
159.11584	2.0
161.05965	5.8
161.13229	10.7
162.07608	2.3
163.03937	1.7
163.14819	2.1
165.06981	2.0
165.12747	12.8
166.07703	1.7
167.07065	11.6
171.10219	3.0
171.11644	19.3
173.09589	6.5
173.13255	3.6
175.07481	3.9
175.11131	27.8
176.44055	1.4
177.09126	13.9
179.07095	1.9
180.08064	1.7
181.10092	4.6
189.12704	27.5
191.10617	2.3
191.14268	2.1
193.08597	6.9
193.12207	22.8
195.10194	2.5
199.11148	25.3
201.16434	2.4
203.07005	2.9
205.08746	1.9
207.13788	23.2
209.15337	1.8
211.07472	1.9
211.13341	6.9
213.05408	3.0
217.12204	86.3
218.12595	2.2
221.11667	2.0
235.13249	100.0
236.13701	2.5
243.07776	2.2
253.14316	60.4
254.14313	1.6
271.15442	2.5
295.09860	2.4
315.04865	3.1
321.13452	1.9
321.24008	2.0
329.06366	2.9
329.13907	4.7
357.13202	7.4
375.06985	3.7
375.14566	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.9
55.01859	3.7
57.03416	2.3
61.02909	2.3
65.03916	1.6
68.99765	1.2
69.03414	15.5
70.06577	2.8
71.02522	1.9
71.04984	2.3
72.08140	0.9
73.02898	3.0
81.03399	10.9
81.07033	0.8
84.04485	7.8
84.08124	1.8
85.02889	43.6
85.77181	0.7
86.09690	31.6
87.00808	16.1
91.05462	100.0
91.74536	0.9
92.05808	1.9
93.07031	1.2
97.02281	1.4
97.02868	16.1
99.04439	6.3
102.05501	3.7
103.03915	1.7
105.01844	31.8
105.07001	2.6
108.04442	2.6
108.08113	1.1
109.02857	12.9
117.01789	1.1
119.08568	1.5
127.03894	31.2
129.01797	2.4
129.05569	0.8
129.06810	1.8
131.08551	1.1
132.10175	10.2
133.06432	2.2
137.05904	1.5
139.08600	1.2
144.08072	0.9
145.04927	16.6
145.06418	2.2
147.02837	1.4
147.04391	2.3
152.10666	1.3
155.06085	0.9
159.02835	7.2
167.06978	1.6
170.11789	0.8
171.08080	1.6
175.07547	2.8
177.05333	1.0
177.09009	1.3
181.09805	0.8
188.07224	2.3
189.03909	2.2
195.06538	1.5
197.12863	6.1
199.07552	1.9
212.03577	0.9
212.12523	0.9
213.03853	1.9
215.13896	6.6
217.08534	1.7
225.12292	1.4
230.06517	1.4
231.04968	10.4
243.13388	3.7
248.07605	2.1
249.06038	3.8
353.09082	0.8
374.14175	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.7
55.01861	3.6
57.03419	2.3
58.06572	0.6
61.02907	2.2
65.03927	1.6
65.24137	0.5
67.05514	0.9
68.05022	0.8
68.99796	1.4
69.03413	13.4
69.07042	1.8
70.06572	5.5
70.32692	1.7
70.33033	0.9
71.04970	2.0
72.04521	0.7
72.08140	1.4
73.02910	4.1
79.05468	1.3
81.03403	8.6
81.07036	2.0
82.06572	0.7
83.04984	1.1
84.04465	2.0
84.08119	2.0
85.02887	43.2
86.09686	9.6
86.10170	0.8
87.00809	15.9
87.04456	0.9
87.09991	1.0
91.05461	100.0
92.05808	1.7
93.07023	2.2
95.04945	1.7
95.08585	0.9
97.02873	14.0
97.06530	0.9
99.04440	5.4
102.05531	1.1
103.03944	1.1
105.01845	32.7
105.07016	3.5
107.04914	1.5
107.08547	1.0
108.04482	2.6
108.08112	0.6
109.02858	12.6
109.06516	1.0
110.07130	0.7
111.04453	0.6
115.03898	0.9
117.01811	1.0
117.06987	1.0
119.04921	2.5
119.08534	1.6
120.08076	1.5
120.99506	0.9
121.06528	1.0
121.10120	1.3
123.04404	2.9
123.08080	0.7
124.07554	1.1
126.05515	0.7
127.03889	31.3
129.01799	1.8
129.05315	0.5
129.06956	1.4
129.10190	0.6
131.04855	0.5
131.08531	1.0
132.10150	1.5
132.46924	0.7
133.06470	2.1
133.10107	1.0
135.08052	1.0
136.07555	0.7
137.05949	2.4
143.03377	0.7
143.08540	0.9
145.04933	17.3
145.06393	1.6
146.06107	0.7
147.02910	1.7
147.04381	11.4
147.11642	0.7
148.04774	0.6
148.59462	0.6
149.05983	1.2
149.09619	1.1
150.09099	3.0
151.03870	0.8
151.07556	1.0
153.06973	0.8
157.06476	1.1
157.10135	0.6
159.02861	7.7
161.05965	1.2
162.07600	0.9
163.03940	0.6
163.07571	0.8
167.07066	1.2
171.08031	1.5
175.07478	3.1
177.04037	0.9
177.05528	0.8
177.09055	8.0
181.06425	1.3
187.07507	0.9
188.07149	0.8
189.03900	3.0
191.06975	0.7
193.01616	0.6
194.11696	6.2
195.06506	2.2
197.12924	0.9
199.07472	2.0
201.05428	0.6
204.10239	1.6
212.12820	1.3
212.16405	1.0
213.03804	2.6
215.11534	0.6
215.13890	2.1
217.08546	2.2
222.11238	5.6
230.06584	0.9
231.04955	12.5
231.11156	1.0
235.09550	1.0
235.16843	1.2
243.13425	2.2
248.07671	1.3
249.05939	3.1
253.17970	1.5
264.94809	0.6
285.12296	0.7
315.12430	0.8
321.09695	1.8
339.10754	1.6
357.13535	1.9
374.10477	0.5
374.15909	4.9
374.21182	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18298	0.9
50.34986	0.9
53.03926	1.2
55.01854	2.2
55.05500	1.2
56.05014	3.5
57.03426	1.0
60.27112	0.8
61.01152	1.1
61.02910	2.0
67.05487	1.4
69.03410	4.7
69.07047	1.9
70.06582	16.8
70.14754	3.6
71.04988	1.4
71.06929	1.3
71.53088	0.8
72.08134	4.5
73.02905	2.1
74.06072	1.8
79.05472	1.8
81.03421	1.8
81.07053	1.9
83.04934	1.2
84.04485	7.9
84.08133	8.3
85.02893	16.1
86.09692	16.9
86.10168	1.6
87.04453	1.3
87.10001	1.0
88.02190	2.4
88.03978	1.7
89.03899	2.8
89.06034	1.0
91.05467	15.9
92.05804	1.2
93.07035	2.4
95.04945	1.9
97.02869	5.9
99.04435	2.3
100.07574	1.2
102.05520	1.3
103.05440	1.6
104.05318	5.8
105.03379	1.4
105.06983	2.0
106.41180	0.9
107.04942	1.9
109.02857	1.9
110.07111	1.9
112.08695	2.8
115.05439	1.8
115.08665	1.0
116.07063	1.6
117.03349	10.2
117.07005	2.0
118.06518	3.6
119.04920	11.1
119.08556	1.3
120.08084	2.3
121.06476	1.5
122.02672	1.4
122.05984	0.9
123.04380	1.5
124.07552	1.1
127.03922	4.2
127.04820	0.7
129.10162	1.8
131.04903	2.7
131.08507	1.2
133.03157	2.7
133.10179	1.2
134.02710	1.4
135.04414	1.8
136.07553	31.7
137.05972	4.4
137.07826	1.6
143.04907	1.6
145.02820	36.9
145.04924	4.1
145.06454	5.8
146.03084	1.2
146.05980	5.4
147.04376	17.4
147.07997	0.9
149.05962	7.7
150.05804	8.7
153.05452	1.8
153.09152	0.8
155.05983	2.1
159.08040	1.1
161.05939	1.8
161.27122	1.0
163.03885	3.4
163.07466	1.0
167.01636	1.0
167.06947	1.2
173.05942	6.9
175.07462	1.6
176.04657	1.1
177.05444	100.0
178.05780	2.6
179.07028	1.6
180.08679	2.3
190.17459	1.7
191.06950	6.8
195.06502	58.6
197.12828	2.7
201.05450	3.9
202.05859	1.0
205.05013	1.1
205.08549	9.1
206.05791	1.2
207.04752	1.3
207.06488	4.8
212.12735	1.0
218.05746	1.2
219.06482	5.9
221.08084	1.3
233.08035	15.2
237.07553	1.0
247.06076	2.8
249.07726	1.4
251.09134	6.2
261.07513	1.7
279.08594	39.5
280.09012	1.7
315.09418	1.4
321.09570	2.2
339.10706	1.9
361.15854	0.9
365.50879	1.1
374.13751	1.4
375.11658	1.5
392.72751	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93270	2.5
55.01869	4.3
55.05502	18.3
56.05002	3.2
57.07066	4.8
59.04995	3.1
61.02916	3.6
65.03941	2.8
67.05505	13.8
69.03413	13.5
69.07056	40.0
70.06573	10.0
70.87716	5.1
70.88027	2.8
71.04963	7.9
71.41455	2.7
72.08151	3.8
73.02869	4.0
77.56300	2.7
79.05485	15.8
81.03392	9.7
81.07035	30.6
81.07837	2.9
83.04936	5.9
83.08591	7.8
84.08101	7.8
85.02890	27.0
85.06511	8.2
86.09686	6.7
91.05439	20.2
93.06477	5.1
93.07027	57.7
95.04951	14.1
95.08588	35.5
97.02876	8.3
97.06502	3.7
97.10141	3.1
99.04415	5.4
99.08069	47.3
103.05418	6.5
105.07018	31.1
107.04918	10.2
107.07858	4.8
107.08575	70.8
108.08923	3.2
109.02845	5.9
109.06480	4.9
109.10140	19.2
111.04400	4.8
111.08040	4.8
113.09610	5.6
117.06987	5.5
119.04934	5.6
119.08553	43.6
121.06446	6.3
121.10126	47.2
122.05993	3.6
123.04353	5.0
123.08035	5.3
123.11706	16.4
124.07605	2.8
125.09587	3.9
127.03959	5.1
131.04903	19.1
131.08527	7.7
133.06494	4.4
133.10110	84.7
134.10519	3.5
135.08038	3.9
135.11664	28.9
136.07539	3.8
137.05969	22.4
137.09602	19.1
142.07677	3.7
143.08533	4.8
145.04929	9.6
145.06436	3.5
145.10089	6.6
147.04378	9.9
147.11623	8.0
149.13232	100.0
151.03859	8.0
151.07536	4.5
151.11162	7.4
153.05435	3.6
155.10570	5.8
156.06294	3.0
157.10062	3.3
159.11687	4.3
161.09596	4.6
163.07509	9.7
163.11186	3.6
165.09042	4.1
167.07027	64.5
167.10471	3.2
167.14308	4.3
175.07391	14.2
175.14789	74.0
176.15088	4.1
177.05380	6.7
177.09023	3.3
179.10690	3.1
181.08694	3.5
187.07455	3.9
187.14836	3.6
189.00560	3.2
191.07033	12.8
193.08585	11.0
193.15854	57.7
194.16234	3.9
201.05397	11.8
206.07895	3.5
211.16898	55.7
214.07008	3.6
219.06412	4.7
227.07120	3.0
236.08301	4.0
239.11824	4.1
249.05333	3.4
251.07034	3.7
252.08405	5.2
253.08603	5.1
265.08603	4.8
267.10248	5.2
270.09381	8.2
280.07520	8.4
281.07980	7.3
293.07925	4.5
295.09570	4.1
298.08719	10.1
309.11072	4.9
311.08771	3.6
313.10684	18.9
314.11295	3.1
315.05038	3.1
323.09186	3.2
325.10492	3.8
327.12283	12.4
329.13840	6.3
337.10843	5.1
341.09802	4.5
341.13904	13.8
345.13235	4.2
355.11307	21.0
373.12527	30.0
374.13351	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	373.1273
Annotation	Tangeritin
Peak:m/z	Relative Intensity
55.98509	0.5
61.09781	0.4
61.30619	0.4
69.03382	0.5
69.19147	1.9
69.19581	3.3
71.04932	0.5
72.08086	0.4
81.07009	0.6
83.04961	0.4
88.70115	0.4
89.40562	0.5
93.07010	0.5
95.08546	0.5
96.72450	0.4
98.20772	0.7
99.04403	0.5
105.06957	0.6
109.44028	0.4
124.59138	0.5
127.03847	1.7
133.06465	2.2
135.04388	3.8
147.04295	0.7
165.01752	0.7
167.03284	0.7
168.03920	0.4
181.01486	0.4
183.02855	8.9
183.07976	0.5
186.01556	1.0
201.55696	0.4
211.02344	7.2
214.06247	0.9
222.32286	0.4
227.06984	0.9
228.04106	1.7
229.03110	2.9
242.05652	1.0
246.05238	0.7
254.05647	0.8
256.07486	0.5
269.07947	1.4
271.05966	7.4
272.06461	1.1
282.05222	2.7
283.05908	3.1
283.08948	0.7
285.03842	2.3
297.07498	10.3
297.10834	0.7
298.07822	0.9
299.05511	3.2
299.08514	0.7
300.06216	7.9
300.09476	0.8
301.06549	0.6
311.09100	1.2
315.05338	0.7
315.08530	3.6
325.07037	5.8
327.04977	0.6
327.08536	1.2
328.05637	6.2
329.06299	0.6
329.09967	1.1
343.08057	87.0
344.08389	6.5
357.09750	0.7
358.06277	0.8
358.10376	11.0
359.10681	0.6
373.12753	100.0
374.13055	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	373.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93270	2.5
55.01869	4.3
55.05502	18.3
56.05002	3.2
57.07066	4.8
59.04995	3.1
61.02916	3.6
65.03941	2.8
67.05505	13.8
69.03413	13.5
69.07056	40.0
70.06573	10.0
70.87716	5.1
70.88027	2.8
71.04963	7.9
71.41455	2.7
72.08151	3.8
73.02869	4.0
77.56300	2.7
79.05485	15.8
81.03392	9.7
81.07035	30.6
81.07837	2.9
83.04936	5.9
83.08591	7.8
84.08101	7.8
85.02890	27.0
85.06511	8.2
86.09686	6.7
91.05439	20.2
93.06477	5.1
93.07027	57.7
95.04951	14.1
95.08588	35.5
97.02876	8.3
97.06502	3.7
97.10141	3.1
99.04415	5.4
99.08069	47.3
103.05418	6.5
105.07018	31.1
107.04918	10.2
107.07858	4.8
107.08575	70.8
108.08923	3.2
109.02845	5.9
109.06480	4.9
109.10140	19.2
111.04400	4.8
111.08040	4.8
113.09610	5.6
117.06987	5.5
119.04934	5.6
119.08553	43.6
121.06446	6.3
121.10126	47.2
122.05993	3.6
123.04353	5.0
123.08035	5.3
123.11706	16.4
124.07605	2.8
125.09587	3.9
127.03959	5.1
131.04903	19.1
131.08527	7.7
133.06494	4.4
133.10110	84.7
134.10519	3.5
135.08038	3.9
135.11664	28.9
136.07539	3.8
137.05969	22.4
137.09602	19.1
142.07677	3.7
143.08533	4.8
145.04929	9.6
145.06436	3.5
145.10089	6.6
147.04378	9.9
147.11623	8.0
149.13232	100.0
151.03859	8.0
151.07536	4.5
151.11162	7.4
153.05435	3.6
155.10570	5.8
156.06294	3.0
157.10062	3.3
159.11687	4.3
161.09596	4.6
163.07509	9.7
163.11186	3.6
165.09042	4.1
167.07027	64.5
167.10471	3.2
167.14308	4.3
175.07391	14.2
175.14789	74.0
176.15088	4.1
177.05380	6.7
177.09023	3.3
179.10690	3.1
181.08694	3.5
187.07455	3.9
187.14836	3.6
189.00560	3.2
191.07033	12.8
193.08585	11.0
193.15854	57.7
194.16234	3.9
201.05397	11.8
206.07895	3.5
211.16898	55.7
214.07008	3.6
219.06412	4.7
227.07120	3.0
236.08301	4.0
239.11824	4.1
249.05333	3.4
251.07034	3.7
252.08405	5.2
253.08603	5.1
265.08603	4.8
267.10248	5.2
270.09381	8.2
280.07520	8.4
281.07980	7.3
293.07925	4.5
295.09570	4.1
298.08719	10.1
309.11072	4.9
311.08771	3.6
313.10684	18.9
314.11295	3.1
315.05038	3.1
323.09186	3.2
325.10492	3.8
327.12283	12.4
329.13840	6.3
337.10843	5.1
341.09802	4.5
341.13904	13.8
345.13235	4.2
355.11307	21.0
373.12527	30.0
374.13351	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	371.227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.3
55.01862	0.6
55.05495	1.0
57.03416	0.6
57.07076	0.3
59.04986	0.9
67.05493	0.8
68.99767	0.3
69.03403	2.0
69.07062	1.5
69.91132	0.3
70.06576	2.1
70.31933	1.0
71.04993	0.4
72.08144	1.0
73.02908	0.4
73.06539	1.0
79.05450	1.3
81.03389	1.0
81.07040	2.1
83.04971	0.8
83.08597	1.0
84.04488	0.6
84.08116	1.0
85.02888	3.3
85.06528	0.5
86.09698	1.3
87.00791	0.6
87.04455	5.1
88.02158	0.4
89.06013	100.0
90.06355	0.7
91.05421	2.6
91.07575	0.5
92.66634	0.3
93.07031	1.9
95.04977	1.3
95.08596	1.2
96.59697	0.3
97.02856	0.9
97.06521	0.9
98.06083	0.3
99.04443	1.3
99.08003	0.4
99.58640	0.3
101.05997	0.4
103.03915	2.6
105.07025	1.9
107.04902	1.3
107.07045	2.8
107.08564	1.5
109.02852	1.3
109.06498	1.3
109.10146	1.0
110.07159	0.4
111.04464	0.4
111.08056	0.9
117.05495	0.4
117.09109	0.4
119.04933	3.1
119.08556	1.1
120.08073	0.6
121.10133	1.1
123.04402	0.5
123.08059	0.4
123.11713	1.0
125.09575	0.5
127.03909	1.6
129.05325	0.4
130.08606	0.5
131.07013	1.5
131.08543	0.8
133.08578	53.8
133.10005	3.1
134.08916	0.9
135.08043	0.5
135.10045	0.3
135.11688	0.5
137.04980	0.4
137.05949	3.4
137.09485	0.3
142.08598	0.5
145.02855	0.5
145.10086	0.5
146.08113	0.3
147.04385	11.5
147.11661	0.3
148.04701	0.9
149.05930	0.3
149.09547	0.6
149.13205	0.6
151.03873	0.3
153.05370	0.4
153.09021	0.6
153.58975	0.3
154.08557	0.4
161.05925	0.7
163.03865	0.8
163.07492	0.3
165.05418	0.3
167.07018	2.2
167.14275	0.7
172.09615	0.9
173.13199	2.2
175.09634	0.8
177.05432	1.1
177.11186	15.9
178.11469	0.4
179.06967	0.9
184.09706	0.4
187.07515	0.5
189.03841	0.4
189.05429	0.4
189.12602	0.4
191.07014	0.4
191.14268	4.4
193.08524	0.6
195.12152	0.5
199.03786	0.6
209.15364	1.8
217.04840	0.4
217.08516	0.8
221.13861	1.6
222.11319	0.3
239.14839	1.1
247.09656	0.3
250.10634	1.3
263.05295	0.6
265.16379	0.4
276.20187	0.3
279.09784	0.3
283.17508	1.6
285.00885	0.4
287.70865	0.3
297.15433	0.7
323.07608	0.8
327.20013	1.9
355.19516	0.6
367.72858	0.3
371.15210	0.8
371.22659	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2059
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
53.03938	3.4
55.01855	4.3
55.05498	15.5
56.10620	1.1
57.03427	7.7
57.07059	8.2
57.81325	1.0
59.04979	5.2
60.04510	1.1
61.02911	2.9
64.92754	1.1
65.03931	3.0
67.05489	9.4
69.03419	21.8
69.07050	12.7
70.06578	22.9
70.83925	3.6
71.01347	2.8
71.04982	4.4
72.08153	5.7
73.02902	4.6
73.04731	2.7
75.13324	1.2
79.05476	10.1
81.03407	13.3
81.07040	36.3
83.01324	1.3
83.04530	2.1
83.04971	20.7
83.08600	26.9
84.04501	3.1
84.08125	8.2
85.02892	40.6
85.06535	4.6
86.05997	1.1
86.09679	4.0
87.04449	2.4
88.02197	3.7
88.03979	1.7
89.03933	1.3
89.06005	10.5
89.90350	1.2
90.36095	1.5
91.05418	7.6
91.05805	10.5
91.77590	1.2
92.05781	1.2
92.11687	1.3
93.07027	21.3
95.01331	2.0
95.04949	9.1
95.08596	10.0
97.02871	14.6
97.06499	8.9
97.10125	1.7
98.06042	1.3
99.04447	7.1
100.07608	2.1
101.02364	5.2
101.05992	2.1
103.03915	4.2
103.05432	1.4
105.03378	2.9
105.07020	11.0
107.04936	3.7
107.08573	28.0
109.02856	21.9
109.06493	34.4
109.10136	30.4
110.07137	2.7
110.10450	1.4
111.04436	5.6
111.08067	8.2
113.05872	1.2
116.07037	2.2
117.03394	3.1
117.05453	2.3
117.06960	2.0
119.04939	15.1
119.08553	7.1
120.05219	2.3
120.08099	1.8
121.02847	100.0
121.06489	2.8
121.10114	23.6
121.10900	2.2
122.03199	2.7
122.06008	3.1
123.04404	12.1
123.08056	6.1
123.11675	11.6
125.09621	4.2
125.13255	3.0
127.03904	24.8
127.07498	3.1
129.05443	3.4
129.06996	1.6
130.04984	1.8
130.08626	1.6
131.04993	1.1
131.08517	8.4
133.02821	9.3
133.08632	1.4
133.10109	26.3
135.04405	4.8
135.08041	9.2
135.11691	6.0
136.07492	1.7
137.05965	6.6
137.09598	2.0
137.13274	1.6
139.03874	2.8
139.11171	2.2
141.01866	2.8
143.08542	1.4
145.02847	4.5
145.04904	7.6
145.10097	4.5
147.04388	44.2
147.06448	2.7
147.07957	1.9
147.11679	4.5
148.04727	6.5
149.06007	4.0
149.09621	2.9
149.13223	24.2
150.05519	2.6
150.06715	3.6
151.03874	4.0
151.07541	2.9
151.09738	6.8
151.11058	7.2
152.06982	2.1
153.05417	4.2
153.09146	5.8
158.10887	1.5
161.02386	2.7
161.09639	1.7
161.13309	1.3
163.03893	6.5
163.07532	1.6
163.14789	8.4
164.06955	1.5
165.05489	1.4
167.05716	1.6
167.07056	5.1
167.14278	26.3
168.06606	1.5
168.14575	1.3
169.12141	2.7
169.13417	2.0
170.09544	2.0
171.10155	4.9
173.13210	15.5
174.16063	1.2
177.05396	8.6
178.05873	2.5
179.03369	67.0
180.03758	3.7
181.12206	2.3
182.08047	1.4
185.08246	1.6
186.11243	3.9
187.06012	4.5
189.12767	2.0
191.07010	2.2
191.14261	35.2
193.10730	1.7
194.02151	1.5
195.06529	6.3
197.12852	4.7
198.09167	3.8
200.16418	3.6
202.08778	1.6
203.14207	1.5
205.06946	8.7
209.04414	5.0
209.08122	1.8
209.09958	1.5
209.13766	3.6
209.15370	39.0
213.07571	7.3
225.82272	1.5
227.09094	2.7
227.16396	3.5
233.08038	2.0
233.15285	2.0
268.97958	2.6
279.04947	2.1
285.00812	5.6
335.18518	3.2
353.08667	5.0
353.19598	4.7
353.23972	2.6
355.06812	5.7
371.14645	1.3
371.16055	1.5
371.20599	11.2
371.25247	3.3
372.24860	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	371.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.4
55.01845	1.9
55.05492	2.5
57.03426	1.7
59.04979	0.8
60.51511	0.6
61.02909	1.7
67.05492	5.5
68.05003	0.7
69.03418	6.8
69.07069	3.7
69.57045	0.7
70.06578	2.6
70.62926	0.7
70.83897	1.1
70.84248	1.4
71.04973	4.2
72.08138	1.0
73.02885	0.9
78.52708	0.6
79.05478	4.1
81.03397	2.4
81.07058	4.9
83.04971	2.7
83.08614	0.8
84.08114	1.6
85.02891	14.7
85.06507	2.2
85.48327	0.6
86.09704	1.5
87.04462	1.6
88.03958	1.4
89.06007	6.9
91.05419	5.9
93.07026	9.7
95.04951	1.9
95.06071	0.9
95.08589	44.4
96.08923	1.0
97.02867	4.3
97.06516	10.0
99.04432	2.2
99.08060	1.4
103.03892	1.0
105.07011	8.7
107.04947	2.5
107.08575	10.3
109.02859	1.7
109.06493	3.7
109.10140	7.6
110.07153	1.8
111.08079	1.4
113.77127	0.6
115.05415	0.8
115.07547	1.8
117.07012	1.5
119.04903	1.7
119.08559	5.3
121.06481	2.1
121.10125	9.4
121.10921	1.1
122.10368	0.7
123.04421	1.4
123.08046	2.3
123.11688	3.8
124.07572	0.8
125.05966	1.0
125.09634	1.0
127.03912	3.6
128.06192	0.7
129.07001	1.3
131.08527	7.6
133.08511	3.8
133.10104	100.0
134.10445	4.1
135.08025	4.0
135.11693	1.3
137.05948	3.5
137.09602	2.1
139.07515	1.1
139.11153	0.8
143.08534	1.5
144.93622	0.7
145.04927	3.8
145.10060	4.2
147.04393	8.2
147.08014	0.8
147.11696	3.8
148.04774	1.0
149.05998	1.0
149.09554	3.8
149.13242	4.5
151.11163	12.7
153.09172	0.8
158.10840	4.6
161.09636	0.8
163.14758	5.5
165.09103	1.9
167.06996	5.8
173.13235	31.8
174.13541	1.1
175.07487	0.6
177.05467	1.3
177.11267	0.9
179.07042	0.8
183.06514	0.8
187.07532	1.0
191.14276	37.8
192.14601	1.6
208.14519	0.9
209.08055	1.2
209.15324	11.2
209.17087	1.0
217.08569	2.0
219.08076	1.0
233.09518	0.7
260.08243	0.8
261.09265	1.2
277.08566	1.0
296.10178	0.7
307.09372	1.2
321.10980	1.0
339.12094	2.2
353.10022	0.9
353.13992	1.5
364.54184	0.8
371.11636	1.5
371.16849	5.7
372.19113	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	371.2058
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
50.64442	1.9
53.03926	3.1
54.66071	1.7
55.01849	3.7
55.05508	25.0
57.03420	6.6
57.07068	14.7
57.41934	2.1
59.04980	5.5
61.02905	4.7
65.03919	3.9
67.05505	13.1
69.03416	25.3
69.07059	30.5
69.96411	1.8
70.00702	11.5
70.06583	3.5
71.04979	6.4
71.08614	3.9
73.02903	3.0
79.05479	17.4
81.03398	9.5
81.06573	3.3
81.07043	58.6
82.79255	2.0
83.04961	20.4
83.08132	3.6
83.08604	56.1
84.08131	6.0
85.02887	33.7
85.06517	8.8
86.09692	3.4
89.05998	8.8
91.05439	18.8
93.07037	26.2
95.04964	19.6
95.08580	17.0
97.02870	14.6
97.06526	16.5
97.99496	1.8
99.04443	6.4
99.08028	4.3
103.03965	2.2
103.05472	2.3
105.07014	24.1
107.04960	4.4
107.08581	45.1
109.02850	7.4
109.06503	76.6
109.10147	50.1
111.08057	16.9
114.00538	2.0
115.05433	2.6
117.06987	5.5
119.04925	8.4
119.08561	13.9
121.06476	5.2
121.09280	3.4
121.10115	28.7
123.04410	2.7
123.08062	11.2
123.11684	19.9
125.09590	2.6
125.13259	9.2
127.03910	19.8
127.07529	3.6
129.05472	5.3
131.08542	30.6
133.08601	4.0
133.10109	99.2
134.10461	2.8
135.08028	31.4
135.11685	6.0
137.05927	7.3
137.09586	5.4
137.10608	3.0
137.13239	2.9
139.07497	2.6
139.11150	2.2
140.96413	2.0
143.08501	2.8
145.04929	6.3
145.06393	2.1
145.10083	9.7
147.04378	15.5
147.08046	3.2
147.11679	10.5
149.09595	6.6
149.13242	42.2
151.07494	2.4
151.11159	12.7
153.09042	12.5
158.10901	4.8
161.05957	2.4
161.13297	2.4
163.11160	2.3
163.14854	10.7
165.09055	2.2
165.12589	2.2
167.07008	12.3
167.14282	59.2
168.14587	2.3
169.12238	8.9
171.10158	9.5
171.11519	2.0
173.13232	47.7
175.07439	5.2
179.14253	2.2
187.06032	2.0
187.07521	6.1
191.06949	3.6
191.14272	100.0
192.07776	2.2
192.14627	4.1
207.13834	2.4
209.13722	3.0
209.15334	58.9
210.15573	2.5
217.08559	4.6
217.38206	2.3
227.16400	4.3
233.09613	2.4
261.08972	2.7
265.95187	1.9
281.11780	2.2
292.07520	2.1
313.62436	2.4
315.14258	3.0
339.12039	9.6
353.13132	3.2
353.19641	6.4
371.14111	6.3
371.20950	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	371.2057
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
53.03950	0.6
55.01857	0.3
55.05495	0.5
57.03423	0.2
57.07061	0.5
65.03906	0.3
67.05489	0.8
69.03414	1.5
69.07047	0.8
69.89188	1.2
70.06576	2.6
71.04979	0.5
72.08147	1.8
75.78915	0.2
77.03884	0.3
79.05468	5.0
81.03397	0.7
81.07058	2.0
83.04970	0.5
83.08570	0.4
84.04482	0.4
84.08126	2.5
85.02889	2.7
85.06554	0.4
86.09687	1.5
87.04441	0.4
91.05441	5.6
92.05786	0.4
93.07020	5.6
93.07610	0.3
94.07368	0.3
95.04934	1.1
95.08580	1.0
97.02868	1.1
100.07594	0.3
103.05440	1.0
105.07005	8.8
106.07836	0.8
107.04931	3.7
107.08553	0.8
109.02865	0.4
109.06483	4.0
109.10124	1.2
110.07140	0.6
110.12170	0.2
115.08666	0.3
117.03302	0.4
117.64033	0.3
119.04910	7.4
119.08545	2.3
120.05257	0.8
120.08065	0.7
121.02805	0.4
121.06491	3.9
121.10118	16.8
122.06037	0.3
122.10455	0.6
123.04411	0.4
123.08022	2.6
123.11711	1.3
124.07564	0.3
125.09595	0.4
127.03920	0.8
129.07007	0.3
129.10258	0.3
131.08513	1.0
132.03877	0.2
133.06517	0.3
133.07587	0.8
133.10117	0.8
135.08018	0.8
137.05949	9.3
138.09081	0.4
142.08614	0.3
145.09990	0.4
147.04376	28.4
148.04689	2.7
149.09583	100.0
150.09933	3.5
151.11143	2.5
159.08105	0.3
159.10098	0.4
161.06018	0.5
163.03847	0.4
164.07127	0.3
165.05435	0.3
167.06985	1.2
167.10661	0.6
173.13261	0.7
177.05438	0.6
177.11166	0.4
178.11609	0.3
179.06985	4.2
187.07468	0.3
191.14261	43.6
192.14679	1.9
193.15843	0.4
209.04402	0.5
209.15347	1.5
217.04907	0.4
217.08603	0.4
258.06610	0.3
263.05466	0.6
278.62662	0.3
285.00830	0.4
323.07465	0.8
371.14801	0.3
371.25281	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.6
57.03425	22.4
59.04982	4.8
61.02909	10.0
62.57124	2.3
69.03419	22.9
70.38145	5.2
73.02908	40.1
81.03413	3.1
85.02889	100.0
86.03218	2.4
87.04459	5.6
88.02225	2.0
91.03945	5.8
94.06539	2.8
97.02872	39.1
98.03207	2.1
99.04442	2.7
109.02856	6.7
110.01750	2.1
110.40614	2.0
115.03921	26.0
127.03902	27.0
133.04936	9.2
136.06160	5.0
138.05472	2.1
139.56718	2.0
145.04933	46.5
145.05998	3.8
147.04311	3.4
150.05469	37.6
151.05804	2.1
155.07025	5.6
163.05983	31.5
164.06410	2.3
173.08075	4.4
209.09209	9.4
217.26247	2.3
239.11198	10.3
339.19293	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.2
55.01867	2.5
55.05497	13.3
56.05028	3.2
56.97418	1.6
57.03423	5.3
57.07062	9.2
59.04993	3.3
61.01146	1.8
61.02916	3.6
65.03916	2.1
67.05492	9.5
69.03420	29.7
69.07053	16.0
70.06578	29.7
71.01353	2.8
71.04971	6.8
71.51762	1.8
71.52100	2.0
72.08149	12.9
73.02894	2.9
74.06063	1.9
78.04689	1.8
79.05476	12.5
81.03404	14.6
81.07040	32.0
82.06548	2.2
83.04971	26.4
83.08603	16.8
84.04478	5.3
84.08138	17.1
85.02886	37.7
85.06536	7.8
86.03217	1.5
86.06043	2.4
86.09697	24.8
87.04444	6.5
88.02211	4.7
89.03893	2.1
89.06013	4.2
91.05459	12.4
91.05865	4.1
92.42867	1.5
93.07018	22.4
95.04951	26.2
95.08592	14.3
96.04480	1.9
97.02885	15.1
97.06512	7.5
99.04431	13.1
100.07616	4.6
101.02396	3.4
101.03482	7.2
101.06007	4.3
103.03940	7.5
103.05421	5.1
105.04450	1.6
105.07013	12.4
107.04926	6.8
107.08582	33.8
109.02860	38.3
109.06500	23.9
109.10143	19.5
110.07146	4.1
111.04427	3.6
111.08067	13.3
112.08688	2.3
116.07054	7.4
117.03352	2.5
119.04940	17.9
119.08573	12.1
120.08057	3.6
121.02868	2.1
121.06472	12.7
121.10116	24.6
122.02701	1.8
123.04417	4.9
123.08009	8.9
123.11708	10.5
125.05923	3.6
125.09609	25.5
125.13261	2.7
127.03894	31.2
127.07552	1.9
129.05476	3.8
129.07008	1.7
129.10220	6.2
130.04979	2.2
131.04903	6.2
131.08533	10.8
133.02829	2.1
133.06494	1.7
133.08589	3.8
133.10110	23.8
134.02687	2.7
134.03685	1.8
135.04446	3.6
135.08055	21.6
135.11681	10.3
136.02280	2.2
136.07520	3.2
137.05959	14.9
137.09596	3.0
138.05490	1.7
139.03940	2.4
139.11183	2.1
140.04646	3.3
141.10254	1.9
143.08540	2.9
145.02831	4.9
145.04936	8.3
145.10103	4.5
146.08150	2.1
147.04387	48.2
147.06436	2.9
147.07909	2.3
147.11658	5.0
148.04767	5.4
149.05969	12.1
149.09540	10.2
149.13231	19.4
151.03908	2.9
151.11166	7.2
153.05429	5.3
153.09032	12.8
155.06996	3.0
158.10887	2.2
159.04367	2.5
159.11702	2.0
161.05936	2.9
161.09566	2.9
163.03885	9.2
163.07587	1.8
163.11182	6.9
163.14784	8.7
164.07019	2.9
165.12733	2.8
167.07005	60.9
167.08424	3.0
167.10645	3.2
167.14293	22.7
169.09717	3.1
171.10107	3.8
173.13251	19.5
175.07452	2.3
175.14815	2.5
177.05446	34.8
177.09065	1.9
178.05847	1.7
179.03352	6.5
181.04889	3.1
181.12212	2.1
182.15335	2.2
187.05951	4.3
187.07509	3.6
189.09070	1.7
189.12701	2.1
190.17468	1.8
191.06993	3.4
191.14281	90.4
192.14645	3.5
205.07079	5.0
208.09569	2.3
209.04546	1.8
209.08060	21.7
209.15340	100.0
210.15688	2.2
217.08594	4.5
227.09105	46.4
230.08092	3.4
233.15320	1.9
268.97882	2.7
271.05942	1.7
285.00992	3.3
309.11148	1.7
321.11246	2.2
335.11206	3.0
339.63083	2.0
353.09512	2.3
353.13727	5.7
353.19574	7.5
355.07010	4.4
363.18698	1.9
371.16510	45.2
371.20624	35.4
371.25772	3.8
375.88568	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1481
Annotation	Fragransol D
Peak:m/z	Relative Intensity
53.03941	1.4
55.01856	1.7
55.05471	1.5
67.05490	1.9
69.03406	2.8
71.04964	1.8
79.05475	9.3
81.07042	8.9
83.08572	1.4
84.08131	1.5
85.02883	2.3
85.06554	1.7
88.02199	1.3
91.04931	1.3
91.05412	7.3
93.07044	3.1
94.04161	3.8
95.04924	3.1
95.08558	3.9
97.02875	1.3
101.06007	2.4
103.05500	1.9
105.06995	5.3
107.04935	17.1
107.08556	3.3
109.06503	5.1
109.10141	2.3
111.04417	2.7
115.05450	4.8
117.06995	1.7
119.04865	1.8
119.08508	2.1
121.06451	2.0
121.10116	1.9
122.03680	6.2
123.04392	3.1
123.11653	1.4
124.05195	1.8
125.05981	3.6
128.06221	3.6
129.06992	11.8
131.04880	5.1
131.08539	12.1
133.02827	2.3
133.06448	1.5
133.10092	2.8
135.11647	1.5
137.05948	100.0
138.06253	2.2
141.06969	7.0
144.05681	7.0
145.06421	5.2
145.10046	2.4
147.04468	2.5
147.06549	2.0
149.05914	2.6
151.03879	5.9
151.07530	5.7
152.04623	2.3
153.05406	2.3
156.05664	21.2
157.06467	6.2
158.07167	1.7
159.08029	15.8
160.05179	3.7
161.05930	3.8
163.03922	1.4
165.05507	2.8
165.06935	1.4
167.05626	2.8
167.07010	45.6
167.08429	2.9
168.07382	1.5
169.06433	3.5
169.07675	1.5
172.05144	4.2
173.05908	3.7
174.06665	6.5
175.07513	12.1
177.05434	5.7
178.07658	3.9
179.06950	2.5
179.08495	2.1
181.06416	1.6
181.08539	1.6
184.05199	2.5
186.06786	2.7
187.07516	21.6
188.08032	1.6
189.05383	1.3
189.06950	3.6
189.09052	6.9
190.07721	4.7
191.06956	2.4
191.08534	3.1
193.10077	1.7
195.06554	1.7
197.05817	1.4
198.06650	2.2
199.07458	2.1
201.08946	2.1
202.06169	7.6
202.07806	3.2
203.06931	2.3
203.08562	8.8
204.07762	1.7
205.06619	2.3
205.08522	6.1
206.07234	3.3
207.06367	1.9
207.08054	1.7
209.07976	2.0
210.06679	2.2
211.07527	5.4
215.06924	4.9
215.08549	5.2
217.08543	79.3
218.07193	12.4
218.09003	2.6
219.08015	8.0
219.10130	8.2
220.08746	1.9
221.09570	9.3
223.07506	4.5
224.04611	2.0
224.08234	2.1
226.06223	2.2
229.08559	3.9
231.07964	8.6
232.08759	4.6
233.05927	2.2
233.09598	16.9
234.06706	11.1
235.07471	12.8
236.08231	3.2
237.05394	3.1
237.09009	1.5
238.10030	3.1
239.06940	23.1
241.08478	11.6
242.05598	4.0
243.08052	1.5
246.06766	6.9
247.07388	5.2
247.09622	31.4
248.08159	6.4
249.09053	23.7
250.06044	1.9
250.09695	4.4
251.06929	7.3
251.10599	2.1
252.07780	9.6
256.03775	1.8
256.07062	1.8
257.08099	5.1
260.08240	5.2
261.09055	23.0
262.06180	5.2
262.09573	3.3
263.06949	13.9
263.10553	3.7
264.07733	4.9
265.08578	5.5
266.09375	9.0
267.10007	3.2
269.08057	6.7
271.05942	9.4
275.10529	2.2
276.07932	2.3
277.08557	18.0
278.05853	2.1
278.09225	15.6
279.06427	4.8
279.10141	5.0
280.07144	4.4
281.08585	2.0
281.11652	9.5
283.09637	4.2
285.07507	50.0
286.08130	4.3
289.08600	9.2
290.09225	4.0
291.06454	3.5
291.10110	4.8
292.07410	2.0
292.10721	3.7
293.08112	4.8
293.11639	22.2
294.08749	4.8
295.09512	6.9
296.10229	2.2
298.08313	2.0
299.09161	1.9
300.09857	63.0
301.10495	18.1
305.08035	2.3
306.08859	6.3
307.09610	8.0
308.06705	1.8
308.10156	1.9
309.11118	24.0
310.11630	2.8
311.09097	5.2
311.12659	2.5
313.10599	11.2
321.07587	2.5
321.11139	31.7
322.11633	4.6
323.09012	6.3
325.10699	2.4
326.11411	23.5
327.12018	5.8
338.11386	5.7
339.12158	16.1
340.12531	2.2
341.13742	23.5
342.13861	1.9
343.15472	1.8
353.13766	70.6
354.14218	5.3
371.10471	2.8
371.14828	41.0
372.15112	4.3
387.81638	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	371.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60336	0.9
55.01850	1.8
55.05491	2.2
55.51677	0.7
55.78996	0.7
56.05019	0.9
57.03421	1.1
57.07050	1.3
57.32873	0.8
61.02892	0.9
65.03917	2.1
67.05502	1.9
69.03419	4.4
69.07049	2.3
69.56677	1.5
69.57066	5.8
70.06579	11.3
71.04984	0.8
72.08159	6.9
79.05487	4.3
81.03397	2.7
81.07035	3.7
83.04944	3.5
83.08595	2.5
84.04474	1.3
84.08128	6.5
85.02891	5.8
86.09695	6.3
87.04485	1.1
88.02183	1.8
89.03887	3.8
91.05421	14.8
93.07024	2.8
95.01320	1.2
95.04939	2.8
95.08572	1.6
97.02866	3.6
97.06516	1.3
99.04424	1.7
100.07577	1.6
101.02357	1.3
101.06036	1.3
103.05441	1.4
105.06995	2.9
106.06547	1.1
107.04918	3.7
107.08565	3.2
109.02866	5.8
109.06487	3.4
109.10137	2.3
110.07124	1.2
111.04405	1.6
112.11184	1.5
116.07062	2.7
117.03381	4.0
119.04913	24.2
119.08559	1.6
121.06474	2.5
121.10120	2.6
123.04420	4.6
123.08022	1.3
123.11673	1.5
125.09632	1.9
127.03911	4.1
129.10207	1.5
131.04875	2.0
133.02818	0.9
133.10106	3.4
135.04385	12.1
135.08017	2.7
136.07549	2.7
137.02301	1.0
137.05945	4.4
138.03116	1.4
139.03900	2.8
139.15686	0.9
145.02844	7.3
145.04944	1.5
147.04387	100.0
148.04706	3.8
149.02318	2.8
149.05888	2.0
149.09543	1.3
149.13254	2.0
151.07512	1.3
151.11107	1.1
153.05440	62.3
153.09065	1.4
154.05812	1.7
161.05942	1.9
163.03874	80.3
163.14769	1.0
164.04243	1.8
164.07059	2.0
167.06967	8.6
167.14308	1.3
173.05960	1.7
173.13199	2.5
175.03911	2.3
177.01834	1.3
177.04001	1.6
177.05438	8.6
179.03323	11.7
181.04919	3.6
182.08028	1.3
187.03838	1.7
189.05444	2.0
191.03285	1.7
191.14301	7.0
195.06509	22.9
201.12360	1.4
203.03374	27.6
205.04918	2.3
205.06866	1.0
209.04375	2.8
209.08051	2.4
209.15363	8.8
213.05453	1.5
215.03346	5.8
215.06989	1.6
217.08490	1.0
227.09102	5.4
230.08110	1.7
231.02766	3.1
233.04352	3.1
257.04172	1.7
261.03894	3.4
267.59573	0.9
275.05444	2.3
279.04926	9.1
285.00870	2.3
291.04846	7.9
303.04990	2.3
321.05948	2.5
339.07056	11.5
352.59174	0.9
355.06744	2.0
371.16138	3.8
371.20569	2.3
371.24997	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62985	0.8
53.03933	1.8
53.07426	0.8
55.01855	2.0
55.05489	3.3
56.05026	1.2
57.03415	2.5
57.07051	1.4
59.04981	2.0
61.02905	2.2
65.03926	3.6
67.05482	3.6
69.03415	7.5
69.07050	3.6
70.06583	7.4
70.34727	1.0
71.04970	2.7
71.53273	1.6
72.08138	2.4
73.02908	2.5
79.05466	4.6
81.03400	3.7
81.07036	8.3
83.04953	3.0
83.08591	3.6
84.04511	2.1
84.08132	4.5
85.02889	16.3
85.06536	1.0
86.09683	4.0
88.03985	2.9
89.06024	2.5
91.05433	17.2
93.07021	8.7
95.04944	3.0
95.08586	4.6
97.02853	6.2
97.06505	3.0
99.04434	1.9
100.07592	1.3
102.05511	2.6
103.05438	2.4
105.07012	6.5
107.04930	3.4
107.08574	10.2
109.02831	2.4
109.06500	6.3
109.10136	6.6
110.07166	1.8
111.04451	1.6
111.08063	3.3
115.05402	1.7
116.07070	1.3
117.06953	1.6
119.04918	28.4
119.08541	6.2
120.08078	2.8
121.02862	2.9
121.06531	2.3
121.10126	7.3
122.03583	0.8
123.04407	2.4
123.08050	2.5
123.11678	3.9
124.07520	1.7
125.00127	0.8
125.05978	1.2
127.03880	4.3
128.06206	1.4
129.05487	1.6
129.06990	2.3
129.10164	1.5
130.04938	1.0
131.04863	2.9
131.08542	4.0
133.06441	2.7
133.08554	1.4
133.10100	11.2
135.04391	1.3
135.08025	4.9
135.11676	2.7
137.02380	1.1
137.05948	9.5
137.09590	2.1
138.06265	2.1
139.11218	1.3
143.08578	1.2
145.04938	2.1
145.10095	2.8
147.04378	100.0
147.10571	0.9
147.11671	3.8
148.04759	3.0
148.05940	2.2
149.06000	1.9
149.09602	3.0
149.13208	11.2
151.03925	1.3
151.07475	1.9
151.11131	5.2
152.07034	1.7
153.07376	1.6
153.09032	1.4
156.05618	0.9
157.10069	1.0
159.08035	2.4
161.05933	3.0
163.07579	2.2
163.14804	3.2
165.05464	1.2
165.09111	0.9
165.12764	3.2
167.06998	14.3
167.14296	3.7
171.10075	1.0
172.05193	1.5
173.06012	1.3
173.13232	7.1
174.06622	1.5
175.07555	2.7
177.05415	3.1
177.09152	1.2
178.07938	1.0
179.06935	2.0
179.10684	1.2
181.04973	2.5
187.07500	4.2
189.05414	1.2
191.06990	1.3
191.10574	0.9
191.14268	20.7
192.07846	1.0
193.08531	1.3
207.06441	0.9
209.07974	1.9
209.15324	36.3
217.08521	4.6
219.07993	1.0
227.09061	1.5
234.06866	0.9
235.07608	1.4
237.10201	3.6
248.09082	1.0
249.09467	2.5
263.07031	1.1
265.09756	4.6
267.15652	1.1
269.07718	1.5
277.08566	1.1
279.10120	1.2
281.11490	1.1
285.01154	1.4
285.07645	1.1
293.09003	3.1
294.09351	0.9
308.50970	0.9
309.11127	2.3
311.10162	3.4
321.11252	2.2
339.12173	3.4
341.13766	2.3
353.13791	3.3
355.07813	2.0
371.12338	9.4
371.15421	3.9
371.20496	1.4
372.10779	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.3309
Annotation	Semiplenamide F
Peak:m/z	Relative Intensity
52.51777	4.6
55.05498	28.4
57.07062	29.1
60.04512	7.7
67.05495	17.8
69.07053	36.9
70.06563	7.3
71.08624	33.9
74.02437	28.2
81.07057	32.3
82.06526	4.5
83.04923	5.4
83.08603	29.0
84.04502	19.7
84.08138	12.0
85.10181	10.7
93.07034	7.8
95.08579	26.6
96.64719	5.0
97.10139	24.4
102.05520	7.6
105.06975	5.4
107.08575	10.0
109.10165	18.8
111.11707	17.9
121.10140	6.0
121.79716	4.9
123.11700	7.2
145.92247	4.8
149.13199	5.7
175.69290	5.5
200.62672	5.1
282.31427	6.0
306.31418	28.9
324.32468	8.1
334.30945	7.3
352.32010	100.0
370.33136	69.3
370.43231	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	369.2629
Annotation	Betaenone B
Peak:m/z	Relative Intensity
53.03916	1.7
55.01842	1.7
55.05500	15.3
57.03429	10.3
57.07064	11.9
65.03906	1.3
67.05491	26.9
67.22144	0.8
68.09283	0.7
69.03366	1.0
69.06736	1.0
69.07053	12.7
71.04974	4.9
71.08592	1.7
71.53258	0.7
71.53702	1.0
73.06508	0.9
75.88634	0.6
75.95655	0.7
79.05481	17.5
81.03058	0.6
81.03400	6.0
81.07040	27.5
82.07359	0.7
83.04974	6.2
83.08203	0.6
83.08607	6.7
85.02896	3.7
85.06496	2.8
85.09661	1.4
85.10166	25.8
87.04443	0.7
91.05463	13.9
93.06480	1.1
93.07024	16.2
95.04437	0.9
95.04949	10.1
95.08590	15.4
97.06532	3.6
97.10118	3.3
99.04412	1.1
99.08047	1.5
105.07013	13.9
107.04912	3.2
107.08563	13.9
109.06500	4.3
109.10136	23.1
111.08036	1.9
113.05945	1.0
113.08891	1.5
113.09624	23.1
115.49961	0.7
117.06960	1.3
119.08572	4.5
120.08925	0.7
121.06514	0.7
121.10121	5.9
123.08047	3.7
123.11673	4.1
123.98363	0.9
125.09558	3.2
127.07425	0.8
129.06990	1.7
131.08542	4.1
133.10107	14.0
134.10426	0.8
135.11633	1.9
137.09586	1.1
141.12694	1.4
143.08493	0.8
145.10059	2.3
147.11646	7.1
149.09593	5.8
149.13191	1.2
151.11125	4.8
157.10037	1.7
161.09581	0.9
161.13249	1.7
163.11118	2.5
165.12718	23.1
167.14211	0.8
169.12228	5.0
169.13409	1.0
171.11620	1.1
173.11665	0.9
175.11218	0.9
175.14816	1.0
177.05388	1.5
178.06195	1.5
179.14276	2.3
181.12183	1.3
185.02419	0.7
189.11189	1.3
189.12822	1.0
197.15373	0.9
207.13760	2.1
228.67699	0.8
231.17323	0.7
231.21094	1.0
233.11597	4.7
241.19466	0.9
249.21910	0.9
259.20541	3.6
277.21579	53.3
278.21866	2.1
295.22626	100.0
296.23044	4.8
351.25293	3.3
369.26282	31.1
370.26691	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	369.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	1.1
53.03925	3.5
55.01860	12.6
55.05500	57.4
57.03424	22.3
57.07065	6.1
59.04986	1.4
63.33097	0.8
65.03922	1.3
67.05492	55.5
69.03416	3.6
69.07057	25.1
70.06574	1.0
70.66574	2.1
70.66915	0.8
71.04971	5.4
71.08619	38.3
73.06551	1.4
75.04472	1.1
79.05477	33.6
81.03400	2.8
81.07041	79.7
82.07394	1.3
83.04964	10.9
83.08604	45.9
84.04459	1.1
84.08133	1.2
85.06534	6.5
85.10162	4.8
91.04887	1.5
91.05465	35.5
93.07028	36.6
95.04950	8.6
95.08590	35.8
95.09047	0.6
95.09222	0.9
97.06512	15.9
97.10142	3.7
99.08076	34.2
105.07011	32.7
107.04943	2.4
107.08570	20.8
109.06496	8.6
109.10136	13.6
111.04393	1.4
111.07350	1.8
111.08062	22.8
113.05982	0.9
113.09622	9.7
117.06992	3.9
119.08560	22.8
121.06540	1.0
121.10128	18.1
123.08057	4.2
123.11689	13.1
125.09605	3.3
125.13216	0.9
127.07539	1.1
127.11164	2.4
129.06952	4.8
131.08549	5.8
133.06490	1.4
133.10107	19.3
135.08011	1.2
135.11661	9.0
135.43530	1.0
137.05946	6.9
137.09567	5.6
137.13231	2.3
139.11163	6.0
141.09035	1.2
142.07738	1.2
143.08543	2.6
145.10081	5.9
147.08057	1.0
147.11658	32.7
148.12100	1.0
149.09622	7.4
149.13220	16.1
151.11153	13.9
153.12723	3.0
157.10109	6.4
159.11659	5.5
161.13237	10.4
161.70462	0.8
163.11185	7.9
163.14812	2.5
165.12718	21.8
167.14291	3.5
171.11661	3.6
173.11772	1.7
173.13210	1.2
175.11156	6.2
175.14777	3.9
177.12775	1.9
179.14287	12.7
181.12242	1.9
183.13792	1.7
185.13268	2.7
189.12660	2.1
193.12228	3.2
193.15811	1.5
195.13739	0.9
201.16508	1.1
203.14389	1.4
207.13702	1.8
217.15799	1.0
221.15361	2.0
229.14339	1.0
231.17354	1.1
231.21101	3.7
235.16991	1.0
241.19585	5.0
249.22137	4.1
259.20538	11.1
277.18176	3.5
277.21555	66.1
278.21884	2.9
295.19278	1.3
295.22607	13.3
351.21628	1.8
351.25278	12.2
369.26294	100.0
370.26730	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	369.2629
Annotation	Betaenone B
Peak:m/z	Relative Intensity
53.03936	3.0
55.01861	22.5
55.05500	50.0
55.05758	3.4
57.03436	18.3
57.07063	9.1
57.15237	2.1
57.20170	2.0
60.84883	1.8
61.21696	1.9
61.58534	1.5
67.05495	55.8
67.05835	3.9
69.03423	3.9
69.07060	28.3
69.21286	20.1
70.06576	10.9
71.04989	6.5
71.08620	41.3
78.68585	1.7
79.05478	31.4
81.03413	5.5
81.07043	79.8
83.04976	11.7
83.08607	36.4
83.09061	3.5
85.06544	6.8
85.10184	11.0
87.04449	2.0
91.05471	40.4
93.07037	39.4
95.04956	12.3
95.08593	41.4
95.09163	2.2
96.75507	1.9
97.06522	14.0
97.10174	3.8
98.20704	4.1
99.08075	31.0
105.07025	34.9
107.04977	4.4
107.08575	25.5
109.06539	8.6
109.10134	18.6
109.10762	2.0
111.08067	31.9
113.09625	13.9
115.08687	11.5
117.07048	5.7
119.08561	24.6
121.10128	19.2
123.08086	8.6
123.11677	12.2
125.09615	3.4
129.07056	7.0
131.08569	9.3
133.10109	17.6
135.08038	2.9
135.11662	14.6
137.09633	2.8
137.13263	2.7
139.11201	5.6
143.08582	4.2
145.10149	7.6
147.11670	29.4
149.09662	6.2
149.13229	17.2
151.11177	15.2
152.82014	1.9
153.12726	3.7
157.10149	7.6
159.11705	5.5
161.13208	15.6
163.11211	7.9
163.14880	3.2
165.12735	27.1
167.14314	4.0
171.11705	2.0
173.11844	2.5
173.13275	3.9
175.11255	5.2
175.14925	4.8
179.14304	13.3
181.12262	3.1
185.13268	2.6
189.12724	2.5
189.16371	2.1
193.12300	3.9
195.13934	2.0
207.13768	4.0
231.21121	4.8
241.19571	6.0
249.22139	5.9
259.20532	11.1
277.21570	100.0
278.22079	3.3
295.22696	15.5
351.25336	36.8
369.26477	92.3
369.31137	4.6
370.26962	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	369.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89345	0.3
55.01854	5.1
55.05503	5.0
55.50533	0.4
56.67977	0.4
57.03426	3.8
57.07053	0.9
67.05492	6.9
69.03414	0.6
69.07055	5.3
70.71653	1.2
71.04996	0.4
79.05481	5.9
81.07042	27.4
82.07368	1.0
83.04966	3.0
83.08612	2.6
85.06543	0.5
91.05461	3.7
91.62640	0.3
93.07025	5.3
95.04950	0.9
95.08592	6.0
97.06548	1.9
101.09653	0.5
105.07018	4.0
106.07303	0.5
107.08582	5.5
109.06503	11.3
109.10152	3.0
111.04423	17.8
111.08054	1.4
117.06989	1.1
119.04926	0.6
119.08557	4.5
121.06487	0.6
121.10126	4.8
123.08050	2.4
123.11686	1.9
125.05975	5.8
128.06181	0.6
129.06987	0.7
131.08546	2.4
133.06526	0.5
133.10115	4.7
135.08054	3.0
135.11665	4.4
137.05952	100.0
137.09560	1.1
137.13231	1.8
138.06268	2.7
139.07524	0.6
143.08560	1.5
145.10103	2.1
146.07249	0.5
147.08040	1.1
147.11670	6.0
148.12025	0.5
149.09587	4.0
149.13219	1.6
151.07487	2.4
151.11140	0.9
153.09106	0.4
157.10107	2.2
159.11676	1.4
161.09593	7.4
161.13203	2.6
163.11121	3.1
163.14815	0.8
165.09053	2.2
165.12711	0.5
167.10657	1.1
171.11650	1.2
173.09572	0.5
173.13235	0.5
175.03896	0.7
175.11134	4.6
175.14737	0.8
177.05417	0.6
177.12744	0.7
179.10683	2.1
181.12289	0.9
185.09491	0.4
185.13184	0.6
189.12769	1.5
190.44875	0.4
191.10628	0.5
193.12224	1.1
194.44789	0.4
203.14359	0.7
203.17934	6.3
205.19507	1.0
207.06505	1.5
213.16354	3.0
221.19022	1.7
223.14838	0.9
231.17395	8.1
232.17706	0.5
233.11819	0.4
241.15860	1.5
249.18469	10.9
250.18703	0.9
254.01628	0.4
257.05933	0.3
261.79834	0.4
277.17947	72.3
278.18265	5.3
295.18970	16.5
296.19244	0.8
351.21564	14.7
352.21945	1.2
369.22501	9.6
370.23047	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2165
Annotation	Methoxyfenozide
Peak:m/z	Relative Intensity
53.03923	2.1
55.01861	1.7
55.05487	4.4
55.83902	1.0
57.03415	1.2
57.07064	1.9
67.05499	8.5
69.03422	1.9
69.07044	4.9
70.06580	2.1
71.04961	2.0
71.55292	2.1
78.22642	1.1
79.05496	5.8
79.61000	1.0
81.03381	2.8
81.07056	6.9
83.08614	1.3
84.08121	3.2
85.06497	1.2
88.57587	1.3
91.05459	17.4
93.07021	11.0
95.04939	5.1
95.08593	5.3
103.05433	2.1
105.07012	8.5
105.17897	1.2
107.04905	1.3
107.08564	3.0
109.06519	5.4
109.10122	2.3
109.18426	1.1
113.09624	1.2
115.08643	1.7
117.06979	1.9
119.06023	1.5
119.08563	3.9
121.06446	1.3
121.10111	2.8
123.08022	5.0
128.06209	1.3
129.06960	4.5
131.08549	4.8
133.06476	24.6
133.07457	1.2
133.10083	2.0
141.06973	1.6
143.08534	2.4
145.10138	2.7
147.11610	1.7
149.05954	100.0
155.08507	2.4
155.76974	1.1
157.06496	2.2
157.10072	1.9
159.11629	2.2
165.12720	1.8
167.08554	1.9
169.10182	1.8
171.07980	3.1
171.11670	2.5
183.07968	1.4
183.11591	2.3
185.09535	2.3
185.13266	1.6
189.09113	1.6
197.09581	1.1
197.13118	1.8
199.11166	2.3
199.14746	1.3
207.11731	1.3
213.12636	1.4
216.40202	1.1
225.12735	1.4
226.53098	1.1
231.03473	1.2
277.21606	2.7
295.22705	2.0
341.24878	1.6
351.23074	4.8
369.24109	29.4
369.28339	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	369.1899
Annotation	Cedronolactone A
Peak:m/z	Relative Intensity
50.12429	1.1
53.03938	3.4
55.01857	2.2
55.05493	3.4
55.51152	1.1
56.05817	1.0
57.03410	2.5
57.07055	2.1
61.02917	1.4
67.00735	0.8
67.05480	3.6
69.03416	18.3
69.07035	1.5
69.55419	6.8
70.06577	4.1
71.01365	1.2
71.04972	3.0
72.08154	1.1
73.02893	2.0
78.83238	0.8
79.05482	1.9
81.03407	6.2
81.07039	11.0
83.01331	1.8
83.04951	2.1
83.08599	6.0
84.08128	3.2
84.08926	3.1
85.02886	100.0
86.03223	1.1
86.09688	2.0
88.02205	2.8
89.03898	1.3
91.05457	4.7
93.07013	3.0
95.04923	2.0
95.08586	4.2
97.02884	9.5
97.06501	1.0
98.20747	2.0
99.04437	5.0
103.03909	1.2
105.07005	8.0
107.08578	4.3
109.02852	5.4
109.06497	3.2
109.10110	5.0
110.06017	1.0
110.07159	1.2
113.02340	0.9
117.03411	1.9
117.07011	2.8
119.04925	1.1
119.08561	7.9
121.02818	3.9
121.06488	1.4
121.10121	4.1
123.04372	1.4
123.08044	1.8
123.11678	72.4
124.12011	1.3
125.05972	8.9
127.03911	9.7
129.06989	1.4
131.08559	2.7
133.06459	3.4
133.10057	1.4
134.02695	2.0
135.04366	1.7
135.08038	1.4
136.07549	1.0
137.05971	2.7
137.68011	0.9
139.07507	4.7
143.08553	2.0
143.11813	1.0
145.02852	4.8
145.04907	2.4
145.10118	8.3
147.04355	4.5
147.08026	3.0
147.11688	10.6
149.05914	1.4
149.09560	4.8
151.07500	6.5
156.09309	3.7
159.08041	1.2
161.05954	0.9
163.03938	1.0
171.10150	3.9
171.11629	3.4
172.10492	5.4
177.05403	8.6
178.05936	1.2
189.12704	33.2
207.06477	1.6
207.13770	36.7
207.82692	1.0
208.14157	1.6
225.14781	2.5
243.13838	1.0
249.14944	0.9
315.15756	1.4
333.16870	21.2
351.17966	16.4
352.18213	1.6
355.91113	1.1
369.08035	1.1
369.14383	0.9
369.19006	21.2
369.23593	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	369.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	1.5
55.05489	1.7
56.05011	0.9
57.03416	1.5
57.07075	0.9
67.05482	1.8
68.73848	0.5
69.03419	3.8
69.07058	1.2
69.36015	5.9
70.06575	7.2
71.04965	0.7
72.08124	2.6
73.02885	2.1
76.02256	0.7
77.03928	1.0
79.05463	1.4
81.03385	2.0
81.07047	1.2
82.06543	1.4
83.04961	0.8
83.08563	0.6
84.04491	3.7
84.08123	3.9
85.02111	0.6
85.02889	5.8
85.06519	1.2
86.09681	3.7
88.02190	2.0
88.03934	0.9
89.03899	2.0
91.05479	5.3
93.07030	5.8
94.02927	0.8
94.06548	1.2
95.01312	4.4
95.04939	2.8
95.08564	1.2
97.02881	2.9
97.06533	0.7
97.22249	0.6
103.05418	1.0
105.06999	1.8
107.04870	0.8
107.08579	1.6
108.08105	1.1
109.02868	1.1
109.06487	1.5
109.10126	1.3
110.06018	4.4
110.07154	1.6
111.04416	0.8
111.05487	0.7
111.08050	4.1
112.03947	22.1
115.03870	1.7
116.07053	0.9
117.03362	6.0
117.06980	1.1
118.06567	0.7
119.04900	1.7
119.08542	1.5
120.01118	2.4
120.08047	1.7
121.02826	2.0
121.06475	2.0
121.10067	0.6
122.06007	2.5
123.04382	1.1
124.07559	0.7
125.09583	1.3
126.05471	2.3
127.03880	3.0
128.07069	0.8
129.10141	0.7
130.08601	1.3
131.05025	0.6
131.08554	0.7
132.10194	0.8
133.04935	0.8
133.06458	0.7
134.02686	1.1
134.09604	3.1
135.04382	1.4
135.08011	2.1
136.06493	1.3
136.07552	26.3
137.05966	2.3
138.05444	1.3
140.07027	2.5
140.77858	0.6
144.08046	1.1
145.01733	1.1
145.02826	13.2
145.04901	2.2
145.06464	0.9
147.04385	6.0
147.07990	0.9
147.11610	0.9
148.07471	0.8
149.05942	1.9
150.09096	1.0
152.07047	1.0
152.10648	2.5
154.08588	1.2
156.17970	0.7
161.05930	1.2
162.05493	5.0
162.09113	24.7
162.10475	1.4
163.03880	3.0
163.06171	0.9
163.07513	2.7
164.07033	43.2
165.07475	1.1
166.04971	1.2
172.07544	1.1
175.03815	1.0
175.11148	1.7
177.05440	19.7
178.05832	1.4
178.08557	1.3
180.10162	21.4
181.06068	0.8
181.10443	0.6
182.08092	40.6
183.08368	1.0
184.40561	0.6
187.65289	0.7
190.08604	13.7
191.09235	1.1
193.05016	0.8
194.08136	0.8
207.06244	1.2
207.11290	2.7
207.13759	1.2
208.09645	100.0
209.10037	3.9
210.19951	0.6
238.08215	0.9
246.09215	0.7
259.10764	1.0
260.86960	0.6
273.12219	1.4
275.13870	1.3
289.16440	1.4
291.13498	0.7
295.12814	8.1
301.11765	10.0
307.05896	0.7
319.12830	58.3
320.13110	3.0
333.14267	1.9
337.13965	5.1
351.11487	1.2
351.15421	3.6
369.07956	1.8
369.16714	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	369.081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	0.3
55.01867	1.5
55.05495	0.3
56.61182	0.2
61.02924	0.3
69.03409	0.7
69.82303	1.9
70.06562	1.5
72.08143	0.3
73.02897	1.1
76.02195	0.3
83.01328	2.0
84.08118	0.6
84.50108	0.3
85.02898	0.4
86.09688	0.4
88.02196	2.7
88.03988	0.4
89.03900	7.3
91.05458	1.1
95.01335	1.1
101.02352	1.6
103.05444	0.5
105.07018	0.3
106.04139	0.4
107.89304	0.3
110.07150	0.7
113.02374	0.4
117.03361	23.6
119.04899	0.4
121.02873	0.5
122.02736	0.7
124.05181	0.4
127.52315	0.3
129.01855	0.5
129.10220	0.4
134.02669	3.9
134.03619	1.8
135.04376	1.6
136.07535	0.4
145.02820	59.2
146.03156	1.2
147.04385	1.0
149.05956	8.4
163.03885	1.3
164.07004	0.7
177.05437	100.0
178.05751	2.3
182.08078	0.5
186.05498	0.8
189.12656	0.6
195.06476	0.5
236.09317	0.5
264.10202	0.4
306.78543	0.3
313.56036	0.3
325.20663	0.3
369.08066	14.7
370.08118	0.5
389.69479	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11192	0.9
56.05018	2.3
59.36087	0.8
70.06591	1.3
71.53312	1.5
82.06568	3.4
84.08128	55.9
85.08463	0.9
100.07607	2.8
110.07208	0.9
128.07056	1.2
130.08615	100.0
146.08098	26.7
146.09247	1.5
153.32355	0.8
175.04567	1.2
209.67398	0.8
238.53259	0.9
368.10623	8.0
368.91422	1.6
369.09851	0.8
369.15100	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39818	0.9
52.74010	1.0
52.79427	1.0
53.03925	3.9
55.01856	7.6
55.05493	4.2
57.03429	6.4
57.07072	1.1
59.04971	1.8
60.04521	1.7
60.38049	0.9
61.02910	5.2
67.05491	3.8
68.99770	2.7
69.03419	33.8
69.07052	3.1
70.06575	2.7
71.01347	1.4
71.04993	7.5
72.08131	2.3
73.02912	6.3
76.55566	1.1
78.20213	0.8
79.05481	3.8
79.91322	0.9
81.03410	24.9
81.07054	4.7
83.04972	2.1
83.08598	1.6
84.04514	1.2
84.08130	2.2
85.02892	100.0
85.06495	1.1
86.03205	1.4
86.09672	2.0
87.00816	39.0
87.04446	1.8
88.59811	0.8
89.06026	1.1
91.03927	2.2
91.05465	11.5
93.07024	4.3
95.04956	1.7
95.08588	2.6
97.02876	32.5
97.03509	1.6
97.06497	1.0
99.04440	13.6
100.07575	2.0
103.03907	1.3
105.01849	86.1
105.07015	8.0
107.08558	6.9
108.04498	2.0
108.05184	1.1
109.02858	29.5
109.06496	1.1
109.10142	2.7
110.06040	1.0
110.07152	1.2
111.08038	2.1
114.09138	1.5
114.10269	1.2
115.03905	1.7
117.01833	1.1
117.06996	1.3
119.04926	9.2
119.08554	3.9
121.06511	2.4
121.10160	2.2
123.02879	1.0
123.08102	1.4
123.11661	1.2
124.07576	2.4
125.09608	2.5
126.05507	2.0
127.03895	82.1
128.04239	1.2
128.10695	1.0
129.01814	2.7
129.10252	1.0
131.08530	2.2
132.62717	1.0
133.06465	2.1
133.10124	3.1
133.58575	1.1
135.11659	2.1
136.07515	1.5
137.06020	2.4
137.09508	1.2
143.03258	1.0
145.02936	2.1
145.04939	38.1
145.10065	2.0
145.12198	1.0
147.02852	2.4
147.04393	9.0
147.07999	1.5
147.11653	3.5
159.02881	14.3
159.11690	1.5
161.05957	14.8
161.09573	2.0
163.06056	1.4
171.11652	1.3
175.03885	16.7
177.04041	1.3
177.05486	3.2
179.10640	1.5
187.07542	1.2
189.03931	3.9
207.06493	27.3
207.10252	0.9
211.13155	1.7
213.03893	2.9
217.15790	1.4
230.06621	1.5
231.04939	26.4
235.16963	1.1
247.07410	1.0
248.07932	1.5
249.05998	8.2
277.08536	1.4
291.10205	1.3
293.07983	1.4
307.09509	1.6
308.22195	2.4
330.40030	1.0
333.15341	1.4
351.10706	5.9
368.24536	7.4
369.13327	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	368.1545
Annotation	Fucbeta1-3GlcNAcbeta
Peak:m/z	Relative Intensity
50.86032	1.2
56.05014	1.8
57.03423	9.9
60.04500	2.4
61.02917	3.3
67.05493	3.8
71.04957	2.5
71.28684	2.6
71.65849	1.2
71.71725	1.4
73.02892	5.0
75.04469	49.8
79.05474	1.7
81.03383	1.8
81.07047	3.3
84.04492	80.7
85.02880	5.6
91.05488	1.5
93.07032	1.9
96.04461	6.3
96.62191	1.6
98.06025	5.7
104.97703	1.5
105.07025	1.8
107.08585	2.3
126.05495	100.0
129.05502	1.6
138.05482	46.1
144.06528	9.8
168.06537	17.5
171.99786	1.5
176.97241	1.4
186.07568	14.5
204.08640	89.9
222.09650	13.5
350.14246	1.7
368.24738	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	368.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60732	0.6
55.05497	1.2
56.05008	2.0
69.12981	0.6
69.58464	2.2
69.58894	1.8
70.34709	0.7
74.02410	0.9
78.37710	0.6
82.06574	6.5
83.01939	0.5
84.08128	49.4
91.05425	1.1
98.20781	0.6
100.07593	5.9
113.45908	0.6
119.04899	1.9
128.07077	2.9
130.08611	100.0
131.08977	1.4
145.02783	1.0
146.08093	30.0
147.04373	5.7
161.13676	0.6
163.77319	0.6
177.05489	1.1
189.31322	0.7
264.12787	1.0
307.40283	0.6
368.10794	2.0
369.05478	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.097
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64211	0.2
52.11129	0.2
52.60405	0.2
53.03928	0.4
56.77534	0.2
57.03420	0.5
61.02910	1.1
66.57063	0.2
68.99766	0.2
69.03421	1.9
69.84989	0.2
70.06547	0.3
71.04977	0.3
71.48833	0.4
73.02885	0.6
81.03400	0.6
82.65855	0.2
85.02888	5.0
86.03236	0.2
87.04381	0.2
89.03927	0.2
97.02870	2.0
99.04446	0.4
109.02895	0.4
117.03368	0.3
127.03888	1.2
132.04422	5.3
145.02814	0.5
145.04979	1.1
147.04402	0.3
160.03905	0.4
177.05440	0.8
178.04962	58.5
179.05338	2.1
186.39972	0.2
206.04449	100.0
207.04791	3.3
368.09378	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2836
Annotation	3beta-Acetoxy-8beta,15-dihydroxy-ent-labda-13E-ene
Peak:m/z	Relative Intensity
52.60232	0.6
54.36935	0.6
55.05265	0.8
55.05501	9.4
57.03412	1.1
57.07068	5.9
57.57457	0.7
59.04977	1.1
59.98245	0.6
67.05495	12.6
69.03398	1.7
69.07057	18.1
70.81052	1.2
71.04955	2.6
71.08622	11.8
71.27048	0.6
72.08133	0.7
79.05470	7.5
81.07046	18.8
83.04948	2.3
83.08607	7.3
85.06516	1.8
89.31662	0.7
91.05481	6.1
93.07026	10.3
95.04942	1.7
95.08591	16.5
97.06500	3.7
97.10168	2.5
99.04433	0.8
99.08074	11.6
105.07030	5.8
107.08576	10.5
109.06512	4.9
109.10157	7.5
111.04426	1.8
111.08070	2.6
117.06996	1.6
119.08559	5.6
121.06477	1.9
121.10117	6.9
123.08045	21.4
123.11674	4.8
124.95103	0.7
125.05941	1.8
125.09573	1.9
131.08527	2.0
133.10095	8.0
135.08009	6.0
135.11688	4.1
137.09605	2.1
137.13261	2.2
139.07507	1.5
145.10068	2.3
147.11679	3.4
149.09586	1.9
149.13225	3.1
151.11172	1.2
151.14743	1.0
153.12724	4.2
159.11682	2.4
161.09628	0.9
161.13220	1.8
163.11186	1.0
163.14815	1.1
165.12706	3.0
167.14288	1.3
173.13254	1.6
175.14790	1.8
177.12706	0.9
177.16302	0.8
179.12709	1.4
179.14285	29.1
180.14594	0.9
181.12161	0.7
181.15797	1.0
187.14690	0.8
189.16360	1.9
191.14244	2.0
193.15823	1.4
219.17426	1.8
233.18945	0.9
251.20003	11.4
275.20056	1.4
275.27307	0.8
285.25482	0.8
293.21103	9.6
293.28220	3.9
303.26743	11.6
313.25073	1.5
321.27875	4.9
331.26257	44.5
332.26474	1.6
349.27316	100.0
350.27588	3.4
367.24298	0.5
367.28394	12.3
367.33121	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	7.0
55.01857	3.0
55.05502	20.1
57.03426	3.1
57.07052	8.5
65.03947	2.8
67.05490	42.6
69.03397	10.2
69.07059	23.6
71.04128	6.8
71.04960	9.6
74.55273	2.5
79.05476	36.1
81.07039	48.5
83.04952	5.7
83.08592	10.9
85.06515	5.5
91.04961	4.3
91.05470	51.8
93.07023	77.1
95.04945	38.7
95.08582	56.9
97.06506	17.5
97.10163	3.9
101.36430	2.3
103.91602	2.2
104.61983	2.3
105.07007	93.2
107.04914	3.3
107.08567	63.1
109.06497	17.5
109.10133	45.9
111.08058	5.9
115.05431	4.0
116.06200	3.1
117.06992	19.7
119.08561	100.0
121.06471	11.0
121.10114	53.5
123.08022	9.7
123.11668	13.4
125.09595	4.1
128.06197	11.4
129.06970	17.0
130.07739	8.1
131.08539	50.1
132.08954	2.8
133.10098	63.1
135.08005	16.3
135.11671	23.9
137.09569	9.5
139.11108	5.4
141.06946	8.6
142.07764	18.6
143.08545	32.9
144.09352	14.2
145.09026	5.0
145.10094	64.6
146.07260	5.7
146.10529	4.7
147.08005	13.7
147.11694	21.4
149.09592	21.2
149.13219	6.6
154.07843	3.6
155.08563	11.9
156.09340	16.3
157.10094	54.0
158.10832	11.4
159.08037	4.2
159.11649	40.3
161.09576	44.0
161.13217	10.1
163.11212	5.2
163.14738	4.6
167.08482	5.9
168.09242	8.1
169.10098	17.9
170.10788	7.6
171.11632	25.5
172.12357	2.6
173.09576	6.1
173.13219	30.5
175.11166	10.5
175.14766	16.2
179.08505	9.2
181.10063	8.4
182.10818	7.2
183.11647	23.7
185.09642	6.4
185.13164	15.3
186.13779	3.0
187.11046	3.6
187.14774	15.9
189.12637	4.1
193.10052	5.8
194.10847	8.3
195.11621	15.2
197.13257	19.2
199.14746	11.0
200.15283	3.1
201.12701	6.7
201.16356	7.1
205.15854	3.1
207.11649	6.0
207.24309	2.8
209.13185	24.9
211.14751	9.7
213.12691	6.1
213.16286	5.9
215.14229	2.5
217.15739	3.6
221.13170	3.6
223.14754	9.4
225.16243	4.6
227.14290	14.9
231.17351	2.9
235.14767	3.7
237.16356	4.0
239.17857	9.8
241.19620	3.5
249.16307	3.3
251.17867	3.7
253.19504	3.5
255.17389	9.8
257.18961	4.2
265.19418	5.7
267.17072	2.7
269.18982	2.9
283.20462	3.1
299.06320	3.3
318.40714	2.5
349.25214	11.5
367.26035	16.3
367.30655	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	367.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.5
55.01865	6.1
55.05503	16.5
57.03431	14.1
57.07074	0.8
62.14880	0.6
65.03933	1.7
67.05492	41.6
69.03419	1.4
69.07057	32.7
69.88210	3.5
71.04974	3.2
71.08627	0.6
77.77340	0.6
79.05481	30.9
80.05828	1.0
81.03408	2.1
81.07041	100.0
82.07383	1.6
83.04966	5.3
83.08607	10.7
85.06530	3.7
91.04891	1.3
91.05463	24.4
93.07026	23.1
95.04947	8.3
95.08588	23.4
97.06507	9.3
97.10153	1.8
99.08081	3.4
101.05981	0.7
103.05445	0.7
105.07014	25.0
107.04948	5.0
107.08575	16.8
109.06494	15.4
109.10142	8.4
111.08059	3.7
113.06013	1.1
115.05489	0.7
117.07004	6.0
119.08562	17.0
121.06474	3.0
121.10129	12.2
123.08066	6.9
123.11691	9.1
125.09649	1.9
127.07554	0.9
129.07001	2.5
131.08559	9.1
133.10101	13.0
135.08047	2.3
135.11659	5.4
137.09618	3.2
137.13210	1.1
141.09065	1.0
143.08502	1.6
145.06474	1.0
145.10092	7.9
147.08037	1.1
147.11661	20.3
149.09610	7.1
149.13246	8.7
151.11218	2.7
157.10121	3.6
159.11687	6.8
161.09607	1.1
161.13254	2.9
163.11153	6.1
163.14812	1.7
165.12733	7.9
167.14362	1.3
171.11729	1.6
173.09624	0.7
173.13237	2.6
175.11086	2.8
175.14732	0.7
175.17586	0.7
177.12686	3.8
179.14297	1.4
183.11676	1.4
185.13242	1.3
187.14819	1.2
189.12808	0.8
193.12202	1.8
195.13753	1.4
197.13235	1.0
201.12666	0.7
207.13768	1.2
223.13287	0.7
229.14214	0.9
229.19530	2.4
233.15309	0.7
237.14862	0.6
239.17899	2.4
241.18080	0.7
247.20572	2.7
257.18979	4.1
267.16092	0.7
269.17453	0.7
275.20010	32.6
276.20422	2.6
293.21002	6.9
349.23621	8.1
349.38464	0.6
367.24713	50.0
368.25150	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	367.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	5.8
55.01866	26.5
55.05502	73.9
57.03428	33.5
57.07062	6.4
57.65520	2.2
57.95315	2.3
59.04985	4.6
65.03920	5.9
67.05494	80.2
69.03403	7.9
69.07054	48.3
70.06570	7.2
70.81950	5.6
70.82288	3.0
71.04967	13.6
77.37608	2.3
79.05480	69.2
80.05811	3.1
81.03391	14.1
81.06572	5.0
81.07042	72.3
83.04974	45.5
83.08602	56.2
84.04458	2.5
84.08120	8.6
85.02899	14.1
85.06525	3.7
87.04443	2.3
91.05468	52.0
93.07029	79.6
95.04956	87.3
95.08599	49.7
97.02859	3.7
97.06500	18.1
97.10162	19.3
99.04440	29.4
100.07578	4.2
100.11239	8.2
103.05476	2.8
105.07011	53.5
106.07349	3.1
107.04956	18.7
107.08579	74.5
109.06506	15.2
109.10139	25.7
110.07171	6.3
111.03698	5.4
111.04430	65.2
111.08078	15.7
117.06981	19.8
119.08560	42.6
121.06507	16.7
121.10123	46.4
122.10418	3.0
123.08058	13.1
123.11706	8.7
125.05971	4.5
125.09605	25.2
126.05479	3.4
128.06197	3.4
129.06976	8.9
131.08546	33.1
133.06483	2.9
133.10117	27.7
135.08029	9.9
135.11684	25.2
137.05925	2.8
137.09589	7.2
139.11169	9.1
141.09111	4.5
143.08533	5.8
145.10100	41.1
147.07986	9.0
147.11636	18.0
149.09586	47.3
149.13258	4.2
151.11139	5.1
153.09120	4.5
153.12700	11.1
155.08517	3.7
157.10091	9.9
159.11694	16.0
161.09576	5.3
161.13257	7.7
163.11156	46.3
165.12737	6.7
167.10631	4.7
169.10083	6.7
171.11667	7.6
173.09517	2.7
173.11838	3.2
173.13251	10.1
175.11058	5.6
177.12779	8.2
179.14085	2.6
181.12218	10.1
183.11661	7.1
186.79120	3.1
187.11142	7.5
187.14769	2.9
189.11168	17.4
191.10603	3.6
191.14066	2.6
193.12184	5.6
197.13269	2.9
199.14822	2.8
204.08626	3.5
205.12248	12.8
219.13834	2.9
223.13248	96.3
224.13554	2.7
227.12695	4.4
229.19443	7.2
237.14722	3.0
239.17914	5.1
247.20586	3.1
257.19025	12.5
275.20016	100.0
276.20380	9.0
293.21060	43.9
347.79135	2.8
349.23645	5.5
367.11884	5.6
367.17972	4.4
367.24771	79.0
367.34265	3.0
368.24786	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	367.247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.6
55.01860	23.8
55.05501	65.1
57.03426	27.2
57.07055	4.3
59.04980	2.3
60.04515	1.7
65.03916	4.3
67.05494	84.0
69.03411	5.6
69.07054	38.2
70.06557	1.8
70.25139	6.4
71.04977	12.9
73.02914	1.5
73.06541	1.6
79.05479	68.0
80.05782	1.4
81.03388	8.6
81.07041	86.3
82.07372	3.0
83.04965	43.6
83.08603	41.0
84.04482	4.6
84.08125	3.4
85.02887	8.9
85.06512	5.9
91.05465	43.2
93.07026	71.3
94.07394	1.9
95.04951	68.9
95.08588	41.9
97.06524	16.4
97.10155	16.9
98.24484	1.4
99.04437	19.1
99.08061	4.0
100.07594	2.2
105.07010	44.3
105.07677	3.2
107.04957	15.8
107.08575	55.7
109.06493	19.2
109.10134	22.0
111.04424	45.7
111.08060	14.0
112.07569	1.7
117.06999	13.9
119.08560	33.1
121.06484	8.9
121.10114	39.4
121.65598	1.5
123.08067	11.6
123.11660	8.4
125.05975	2.9
125.09604	19.2
126.05491	3.4
128.06204	1.9
129.06996	5.4
131.08534	24.7
133.06480	2.2
133.10101	27.1
135.08012	9.4
135.11642	18.7
137.05910	2.1
137.09605	6.0
137.13293	1.8
138.05508	1.9
139.11142	5.2
141.06987	2.5
143.08530	4.8
145.06441	3.0
145.10104	28.0
147.08020	5.1
147.11653	23.7
149.09593	39.4
149.10741	2.6
149.13187	4.6
150.09964	1.8
151.11186	4.1
153.09100	2.9
153.12637	7.3
155.08521	2.8
157.10149	7.7
159.07953	2.0
159.11656	14.2
161.09557	3.3
161.13239	3.8
163.11156	40.1
163.14880	1.8
165.12718	5.4
167.10637	3.3
169.10072	5.4
171.11641	3.7
171.14864	1.5
173.09570	3.6
173.11882	1.7
173.13248	6.0
175.11215	4.5
177.12726	5.6
179.14258	2.1
181.12228	7.9
181.13577	1.8
183.11642	2.9
183.13739	1.6
185.13188	3.5
187.11153	5.5
187.14778	1.5
189.11212	13.8
191.10631	4.3
191.14246	3.3
193.12216	4.2
197.13309	3.2
199.14786	1.8
204.08676	3.6
205.12207	10.6
207.13756	1.9
211.13200	3.7
221.08075	1.8
223.13232	63.6
224.13460	2.6
227.12695	2.4
229.19441	5.1
237.14760	1.9
239.17899	6.0
247.20538	5.7
257.18924	14.9
258.19290	1.9
260.14380	1.5
275.20004	100.0
276.20316	3.9
290.42868	1.6
293.21054	35.0
294.21695	2.2
349.23706	15.9
367.24756	84.0
368.24652	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	367.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85456	0.7
53.03917	3.0
53.81261	0.8
55.01862	4.9
55.05501	17.0
57.03427	14.4
57.07056	3.0
59.04965	1.3
64.17970	0.7
65.03909	2.4
67.05492	41.2
68.05010	1.0
69.03400	3.6
69.07055	32.8
69.45603	6.6
70.06570	1.2
71.04972	4.2
71.08595	1.3
79.05474	30.8
80.05836	1.2
81.03392	4.0
81.07039	100.0
82.07389	1.4
83.04966	8.0
83.08601	12.0
84.08143	1.4
85.02891	1.2
85.06529	5.0
86.09679	1.0
89.06007	1.2
91.05461	24.1
93.07023	27.1
95.04951	9.6
95.08587	25.9
96.46326	0.9
97.06506	10.8
97.10141	3.1
98.21183	3.3
99.08090	4.2
100.07599	1.8
101.05988	2.2
105.04504	1.1
105.07007	27.2
105.44971	0.8
106.07361	1.2
107.04970	5.1
107.08572	19.2
109.06497	16.6
109.10133	9.2
110.07167	1.3
111.04374	1.0
111.08062	4.8
113.05988	1.3
113.09640	1.2
117.06985	6.5
119.08547	20.2
120.08065	2.0
121.06484	3.1
121.10109	14.3
123.08052	8.2
123.11671	9.5
125.09587	2.2
127.07531	1.2
128.06235	1.2
129.05516	1.0
129.06976	2.9
131.08548	10.4
133.06494	1.4
133.10109	15.7
134.10396	0.9
135.08043	4.9
135.11668	6.5
135.78990	0.9
136.82054	0.8
137.09579	4.0
137.13251	1.6
139.07538	0.9
139.11124	1.5
140.11259	0.8
143.08565	1.9
145.06468	1.8
145.10089	9.0
147.07997	2.2
147.11653	21.6
149.09590	6.6
149.13226	7.8
151.11134	3.7
155.08531	1.3
157.10136	3.5
159.08119	0.8
159.11668	7.9
161.09595	2.3
161.13235	4.5
163.11089	6.2
163.14806	1.9
165.12697	7.6
167.14345	1.3
169.10092	1.7
171.11633	2.5
173.09584	1.1
173.13196	5.5
175.11153	4.4
177.12729	3.6
179.14325	1.2
183.11674	1.5
183.13557	0.9
185.13300	1.3
187.11153	2.4
187.14821	1.2
189.12714	2.1
191.14232	1.1
193.12198	2.9
195.13745	2.4
197.13255	1.6
201.12793	1.3
201.16344	1.8
205.12218	1.3
207.13728	1.5
215.14355	1.1
215.17929	1.4
221.08101	3.1
229.14287	0.9
229.19464	2.6
239.17958	2.7
247.20526	2.9
257.18896	5.6
275.20016	37.4
276.20325	2.2
285.06424	1.5
293.21103	6.8
331.22726	1.0
349.23706	10.3
367.24738	51.8
367.34238	1.7
368.25110	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	367.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.6
55.01863	11.1
55.05503	29.6
57.03429	21.6
57.07058	2.8
59.04987	26.5
63.04535	1.7
65.03922	3.2
67.05124	3.5
67.05493	66.9
69.03394	5.8
69.07056	39.4
69.54891	14.3
70.06586	4.6
71.04978	9.1
71.08620	2.3
71.34554	1.5
72.04507	2.4
72.08131	2.8
73.02888	2.5
75.04480	1.6
79.05481	48.0
80.05795	2.6
81.03409	4.2
81.07043	100.0
82.07372	2.6
83.04961	9.3
83.08606	13.1
84.04498	2.5
84.08131	6.2
85.06519	8.1
89.06046	2.1
91.05469	42.6
93.07027	48.9
95.04951	12.6
95.08594	45.2
96.08942	1.9
97.06508	15.5
97.10142	7.6
98.09683	2.1
98.21483	3.6
99.04453	2.3
99.08083	5.0
100.07603	4.3
105.07011	46.5
106.07295	2.1
107.04937	6.9
107.08570	37.1
109.06493	19.0
109.10148	23.7
110.07156	3.2
111.04396	2.3
111.08063	5.1
111.71024	1.6
115.05460	2.6
117.06970	11.4
117.09103	7.6
119.08559	36.5
121.06491	7.9
121.10120	24.4
123.08045	7.3
123.11673	12.4
125.09603	7.5
127.07533	2.2
128.06235	2.5
129.07001	6.8
131.08562	20.4
133.06483	4.3
133.10109	31.3
135.08032	6.5
135.11665	11.8
137.05978	2.4
137.09583	6.1
139.11105	2.5
143.08528	8.7
145.10098	26.9
147.08026	5.3
147.11667	25.2
148.12050	2.5
149.09589	15.4
149.13214	8.9
151.11156	4.6
154.12263	2.1
157.10088	6.6
159.08012	4.7
159.11674	20.2
161.09662	8.1
161.13284	9.0
163.07433	2.2
163.11180	10.0
165.09059	2.5
165.12740	7.0
167.07024	5.3
169.10109	4.3
170.15355	3.0
171.10284	2.2
171.11684	6.9
173.11760	3.8
173.13264	9.2
175.11075	4.0
175.13307	2.3
175.14766	3.9
177.12704	5.1
179.14249	4.0
183.11694	3.5
185.13155	3.1
187.11186	2.6
189.09042	2.6
189.11224	2.7
189.12723	3.7
189.16322	2.7
193.12192	3.6
195.13750	3.1
197.13277	3.8
198.15004	2.4
199.14807	2.4
203.14159	2.1
205.12219	4.1
207.13699	2.1
213.16385	1.8
217.12180	2.0
217.15921	2.9
229.19492	6.0
239.17885	5.6
245.15321	3.2
247.20541	5.3
257.18951	13.3
263.12115	1.8
263.16409	7.0
269.17490	4.8
275.19998	51.4
276.20361	3.3
281.18573	2.0
293.21103	7.6
331.22598	3.3
335.09113	2.5
339.13278	4.2
349.23688	23.3
367.11795	8.5
367.17249	3.8
367.24796	73.7
367.34265	3.9
368.25052	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	367.2473
Annotation	Betaenone A
Peak:m/z	Relative Intensity
53.03929	2.4
55.01868	5.4
55.05502	18.2
57.03426	10.4
57.07052	1.1
65.03930	2.6
67.05491	38.5
69.03413	2.0
69.07055	25.4
69.88020	3.5
69.88425	1.8
71.04973	3.1
74.43127	0.7
79.05480	34.2
80.05827	1.1
81.03400	4.1
81.07041	100.0
82.07384	1.1
83.04975	5.1
83.05400	0.7
83.08605	12.5
84.04482	1.6
85.06513	3.2
87.04449	0.9
91.05461	25.6
93.07025	21.5
93.10130	0.9
95.04956	9.9
95.08593	23.6
97.06499	8.3
97.10139	3.7
98.20731	1.1
99.08041	4.4
105.07011	22.4
107.04925	7.7
107.08582	14.4
109.06496	24.7
109.10134	11.0
110.06783	1.2
111.08061	4.4
113.09601	1.0
115.05510	0.8
117.06994	6.6
119.08558	18.1
119.31489	1.0
121.06498	4.3
121.10117	12.9
123.08060	6.3
123.11691	7.1
125.09614	4.9
126.05500	1.1
129.06999	2.6
130.07721	0.9
131.08560	11.0
133.10104	13.0
135.08022	2.8
135.11653	5.8
137.09557	3.8
137.13206	0.8
139.11159	1.2
141.06946	0.8
143.08560	2.0
145.10089	8.7
147.11659	18.5
149.09576	5.5
149.13242	9.6
151.07578	0.9
151.11150	3.5
155.08504	1.0
157.10094	4.9
159.08142	0.9
159.11667	7.1
161.13203	3.2
163.11145	7.6
163.14783	2.1
165.12744	6.6
169.10161	0.8
171.11526	1.1
173.11815	1.4
173.13240	4.3
175.11156	2.1
175.14793	1.5
177.12665	2.4
179.14265	2.1
187.11140	1.2
187.14726	2.1
189.00638	0.8
189.11133	2.1
191.14275	1.9
193.12163	1.9
195.13847	2.0
197.13179	1.3
201.12872	0.9
207.13741	1.6
227.12808	1.2
229.19505	2.4
233.15385	1.0
239.17886	2.4
247.20593	5.5
257.16608	1.1
257.18976	5.6
275.20020	52.5
276.20383	2.8
280.05637	0.9
293.21054	7.1
329.07526	0.9
349.23648	25.4
350.24045	1.6
367.24734	47.8
368.25055	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	367.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.0
55.01865	25.9
55.05502	66.0
57.03149	2.3
57.03427	30.1
65.03923	5.7
67.05493	79.0
67.17149	1.6
67.87432	1.6
69.03416	6.6
69.07053	39.1
70.35089	4.7
71.04986	14.0
71.08634	1.7
75.04451	2.5
79.05480	71.4
80.05782	1.8
81.03408	8.0
81.07041	71.6
83.04965	38.2
83.08603	45.8
84.04469	3.4
85.02887	13.4
85.06533	4.2
91.05466	45.4
93.07028	70.5
95.04951	69.2
95.08591	49.0
96.05259	2.0
97.06513	17.3
97.10142	16.7
98.09683	1.9
99.04436	25.9
99.08069	3.8
103.05495	1.7
105.04459	1.7
105.07016	42.9
107.04940	18.8
107.08570	71.0
107.09296	3.6
108.08916	1.6
109.06500	16.6
109.10127	24.4
111.04421	57.6
111.08064	15.6
117.07011	14.4
119.08553	34.8
121.06480	13.6
121.10123	43.2
123.08044	10.9
123.11682	5.2
125.05989	4.9
125.09592	21.8
126.05493	4.8
127.07558	1.8
129.05444	2.5
129.06973	5.6
130.07790	2.5
131.08543	26.1
133.06416	1.8
133.10106	21.5
135.08072	8.8
135.11674	17.6
137.09608	6.4
137.13239	2.5
138.05505	2.7
139.11153	6.3
141.06987	2.1
141.09042	2.7
143.08585	3.3
143.10661	1.8
145.10110	32.5
147.08006	3.2
147.11674	14.3
149.09587	39.4
149.13202	2.2
151.11105	4.5
153.09129	4.1
153.12724	7.9
155.08542	2.1
157.10100	4.8
159.11673	13.8
161.09637	3.6
161.13229	5.3
163.11150	41.5
165.12723	3.6
167.10645	3.9
169.10094	3.3
171.11624	3.3
173.09610	4.0
173.11751	3.2
173.13206	5.4
175.11185	5.3
175.14792	1.8
177.12740	7.5
179.10652	1.9
181.12143	8.2
183.11656	4.1
185.13254	2.4
187.11172	6.4
189.11230	16.1
189.12766	2.8
191.10664	4.0
191.14342	2.2
193.12303	3.4
197.13194	3.9
201.12733	2.9
201.16354	1.9
204.08583	3.6
205.12206	10.4
207.13783	3.3
211.13173	3.8
215.14342	1.7
215.17931	2.6
219.13676	2.7
219.17433	1.9
221.08148	2.4
223.13254	77.5
224.13560	3.7
227.12817	3.6
229.19507	4.4
237.14799	4.1
239.17928	8.4
247.20648	6.1
257.18991	14.1
275.20010	100.0
276.20377	6.2
279.26443	1.6
293.21054	34.3
349.23807	10.8
367.24744	65.5
368.25107	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	367.2473
Annotation	Betaenone A
Peak:m/z	Relative Intensity
53.03925	5.0
55.01863	7.3
55.05263	1.9
55.05506	20.7
57.03427	11.4
57.07051	1.1
59.04984	1.1
62.64248	1.2
64.99266	1.0
65.03915	2.0
67.05493	42.9
69.03419	2.9
69.07056	29.8
70.06584	1.3
70.69799	1.0
70.70126	2.9
71.04974	3.6
71.08597	1.4
75.04448	1.7
77.36945	1.1
79.05477	36.6
81.03386	2.1
81.07043	100.0
82.07362	2.5
83.04961	8.1
83.08611	13.6
84.04479	3.1
84.08134	1.8
85.02888	1.0
85.06527	3.2
91.05464	31.2
93.07030	30.3
95.04948	10.0
95.08592	29.0
97.06505	9.7
97.10157	2.7
99.04456	1.5
99.08083	5.2
105.07014	28.1
107.04933	7.5
107.08573	22.6
109.02829	1.1
109.06500	29.4
109.10144	10.7
110.07130	1.4
111.04436	2.3
111.08067	5.5
111.11686	1.1
113.06003	1.3
115.05480	1.1
117.06981	7.8
119.08553	20.3
119.09345	1.5
121.06486	5.1
121.10137	14.3
123.08061	8.1
123.11711	8.1
125.09534	2.8
126.05483	2.8
127.07542	1.5
129.07010	3.3
131.08571	11.0
133.10109	17.0
135.08025	4.1
135.11655	7.3
137.09584	2.9
138.05493	1.7
141.06966	2.1
143.08482	2.3
145.10100	10.9
147.08052	1.8
147.11670	18.1
149.09610	9.9
149.13229	9.9
151.11125	3.4
155.08531	1.7
157.10106	4.9
159.11681	9.7
161.09589	1.6
161.13248	4.3
163.11165	7.0
163.14822	2.1
165.12692	6.8
169.10133	1.5
171.10190	1.4
171.11673	3.5
173.13242	5.4
175.11166	4.2
175.14810	1.2
177.12677	2.0
179.14211	1.4
183.11699	2.5
185.13202	1.7
187.11107	2.1
189.12733	1.8
193.12210	3.2
201.12764	1.7
201.16403	1.4
204.08698	2.6
207.13814	1.3
211.14813	1.2
219.17424	1.5
221.07994	1.8
229.19545	3.1
239.17868	2.5
247.20531	6.4
257.19055	6.9
275.20016	56.1
276.20380	3.6
293.21008	5.2
301.02005	1.1
349.23721	25.2
367.24771	44.5
367.34378	1.9
368.25052	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.7
55.01859	18.8
55.05503	42.5
57.03432	14.5
59.04969	4.4
67.05492	50.9
69.03410	4.2
69.07054	29.6
69.39802	24.1
70.06564	3.0
71.04975	9.1
77.09603	2.6
79.05061	4.0
79.05485	43.6
81.03394	7.9
81.06588	3.2
81.07043	47.1
83.04963	18.3
83.08607	24.9
84.04472	4.1
84.08120	6.4
85.02901	5.7
85.06512	4.4
91.05461	35.8
91.07993	2.6
93.07027	37.7
95.04949	35.9
95.08586	31.2
97.06506	18.7
97.10136	10.3
99.04445	9.9
100.07601	3.4
105.07007	38.8
107.04936	16.4
107.08570	44.5
109.06506	10.8
109.10126	18.5
110.07133	3.5
111.04436	19.6
111.08068	7.3
117.06969	12.2
119.08566	28.3
121.06505	8.3
121.10123	26.7
123.08054	8.5
123.11694	7.0
125.09623	12.9
126.05516	6.5
129.05441	2.5
130.07658	2.5
131.08534	21.1
133.08551	3.5
133.10129	22.8
135.08034	8.8
135.11682	12.2
137.05804	2.9
137.09598	4.1
139.11118	4.2
143.08545	5.1
145.10097	28.0
147.08020	5.6
147.11623	13.5
149.09579	35.9
149.13275	5.3
151.11209	4.6
157.10069	5.1
159.11661	14.4
161.09583	4.6
161.13188	4.3
163.11148	21.8
165.12807	3.4
167.07011	2.6
171.11702	3.9
171.13213	2.9
173.09590	3.6
173.11746	3.1
173.13210	10.3
177.12724	4.6
181.12180	4.8
183.11659	3.4
187.11136	4.9
189.11230	8.3
191.10667	2.9
193.12196	5.4
204.08746	4.4
205.12202	6.4
207.13702	4.2
221.08116	6.0
223.13275	29.7
227.12836	4.3
229.19464	3.7
247.20432	5.5
257.18890	13.1
275.20013	100.0
276.20645	4.5
293.20969	27.4
349.23712	30.2
367.24814	57.0
368.24829	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	367.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.2
55.01862	22.8
55.05497	40.2
57.03423	16.4
57.07038	2.0
57.18377	1.7
59.04982	2.0
67.05487	49.1
69.03405	5.0
69.07053	32.3
70.06562	2.0
71.04974	6.3
75.04472	3.4
79.05475	46.0
81.03391	6.9
81.07035	49.7
83.04963	22.0
83.08595	30.4
84.04493	2.4
84.08102	2.5
85.02874	6.7
85.06516	5.0
85.10155	1.9
89.06017	4.0
91.05454	38.7
93.06464	3.6
93.07018	43.8
95.04943	42.8
95.08586	35.4
97.06514	21.5
97.10145	13.6
99.04452	8.2
99.08064	2.7
101.06013	1.9
105.07008	35.5
107.04926	17.9
107.08562	44.6
108.08788	1.5
109.02833	1.8
109.06502	11.8
109.10123	19.3
110.07076	1.8
111.04408	24.8
111.08044	8.8
111.32790	1.6
117.06990	14.0
119.08553	33.8
121.06471	9.5
121.10104	24.8
123.08044	5.0
123.11702	6.5
125.05992	2.8
125.09602	16.8
129.06972	4.9
131.08537	19.4
132.08867	1.7
133.08646	2.9
133.10086	23.4
135.08046	7.2
135.11653	15.8
137.09599	4.0
139.11183	3.4
143.08545	6.0
145.06476	2.8
145.10074	27.3
147.08058	4.5
147.11639	17.2
149.09590	37.3
149.13235	2.3
150.09935	3.5
151.11171	5.8
153.09052	3.0
153.12697	2.4
157.10103	5.9
159.11690	13.4
161.13206	6.5
163.11134	21.4
165.09018	2.3
165.12726	5.8
165.14006	1.7
171.11598	4.6
173.09682	3.5
173.11761	3.3
173.13239	6.9
175.11099	3.6
175.14787	2.5
177.12701	4.7
180.82845	2.1
181.12201	2.0
183.11572	3.3
184.94995	1.9
185.13153	2.3
187.11188	6.1
187.14806	2.2
189.11191	17.5
189.12703	2.6
193.12234	2.8
197.13405	2.0
204.08672	2.8
205.12222	5.9
207.13779	2.0
213.16281	1.9
221.08023	4.2
223.13216	34.7
227.12730	5.6
229.19479	4.9
239.17984	6.3
245.13751	3.3
246.11943	1.7
247.20465	4.9
251.19994	2.0
253.17754	2.2
257.18945	16.2
275.20007	100.0
276.20468	6.5
293.21005	24.8
349.23642	37.0
350.23837	2.0
367.24738	59.1
367.34177	2.7
368.24826	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.3
55.01869	3.4
55.05484	0.7
57.03425	4.6
60.04519	1.1
61.02915	0.7
62.02441	3.3
66.08913	0.6
67.05480	1.4
69.03413	14.7
69.07041	1.4
70.06580	3.6
70.87752	1.2
70.88113	1.0
71.01332	3.4
71.04975	7.2
72.08114	1.7
73.02895	1.3
74.33586	0.6
79.05455	1.3
81.03407	6.6
81.07021	1.8
83.01299	0.6
84.08112	2.1
85.06509	1.0
86.09695	3.6
87.04461	0.9
87.05563	0.8
87.10033	0.8
91.05456	3.7
92.04967	0.6
93.07035	2.6
95.01344	0.6
95.08571	1.9
97.02876	2.6
97.06474	1.0
98.09676	0.8
99.04438	7.7
100.07599	1.4
105.06999	2.6
107.04899	0.7
107.08578	1.3
109.02853	1.2
109.10128	1.2
110.07159	1.1
117.05478	4.9
117.06995	1.1
118.06543	1.6
119.04941	3.7
119.08549	1.6
120.08075	3.7
121.06474	1.4
121.08453	1.6
121.10116	0.7
130.06444	0.8
131.08545	1.3
132.08073	1.1
133.02783	0.9
133.10072	1.8
135.06488	5.6
137.05949	3.6
143.08545	0.7
145.07576	9.3
145.10043	2.8
146.08322	1.0
147.04382	12.5
147.09140	11.0
147.11615	1.2
148.04660	0.6
149.09560	0.6
151.11104	0.6
157.07552	2.7
157.10135	0.7
159.08046	1.0
159.09154	12.9
159.11751	0.7
160.09924	1.6
161.09599	1.3
170.08379	0.6
171.09123	0.6
171.14905	0.6
172.08723	0.8
173.07114	1.4
173.10760	1.1
173.12834	3.0
174.13162	2.1
175.08694	2.9
175.11143	1.1
177.05382	0.8
178.07048	2.1
179.07063	0.7
182.08275	1.0
184.09937	1.0
185.10745	6.3
186.11441	1.1
187.08696	3.3
187.12325	1.3
190.07919	1.2
190.09712	62.8
191.08112	100.0
192.08449	2.4
197.10728	3.9
199.08649	1.2
199.12354	3.6
200.09274	1.3
201.10167	1.6
201.12463	0.8
202.09706	1.2
203.08119	7.8
207.11349	0.9
208.11620	0.7
211.08607	1.2
213.10243	3.6
215.11778	2.9
225.10197	5.5
227.08163	0.8
227.11728	1.4
231.11261	1.0
231.15422	0.6
233.09500	0.7
236.10979	0.7
243.11258	3.2
245.09262	1.2
245.12936	0.8
253.09721	2.2
258.12387	1.0
263.13843	2.3
271.10715	7.9
288.13379	1.4
289.08771	0.4
289.11761	11.9
289.14816	1.1
293.19449	1.2
299.25772	0.7
306.14404	41.4
307.09598	1.3
307.12820	4.5
318.86649	0.6
321.11795	0.6
324.15463	16.2
325.15756	0.7
335.09195	0.6
349.11517	3.1
349.15479	0.7
355.71655	0.7
367.16031	78.0
367.22528	4.6
367.34317	1.7
368.16379	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	366.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22324	0.3
55.05500	3.3
57.03415	0.4
57.07060	0.5
60.04514	57.9
61.02917	0.9
61.04852	0.4
65.03920	0.5
67.05493	10.0
67.05837	0.7
69.03405	0.4
69.07066	2.4
69.24384	0.3
69.36680	2.5
70.02943	1.9
71.08616	0.4
79.05481	9.9
80.82629	0.3
81.07045	9.2
83.08598	1.1
85.02869	0.4
85.06536	0.4
88.03976	29.9
89.04280	0.3
91.03906	0.3
91.05460	4.4
93.07031	10.0
94.07378	0.4
95.04963	0.8
95.08587	7.8
97.06529	0.5
97.10152	0.6
98.21441	0.6
99.08086	0.5
102.80093	0.3
105.07014	3.2
106.05011	100.0
107.05345	0.9
107.08573	5.1
109.06472	0.5
109.10134	3.0
111.08083	0.5
117.07017	1.4
119.08546	2.7
121.10127	5.6
123.08109	0.3
123.11671	1.3
131.07703	0.3
131.08551	1.6
133.10094	1.6
135.11667	3.0
137.13216	1.0
145.10132	1.5
147.11667	1.3
149.13237	2.0
151.11147	0.4
159.11649	1.2
161.13261	1.1
163.14815	1.4
173.13231	1.5
175.14795	0.4
177.16354	0.8
184.56372	0.3
187.14734	0.6
205.89391	0.3
243.20966	2.1
261.22113	6.2
346.66641	0.3
348.25201	1.2
366.26355	4.1
371.21979	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.0
55.01859	3.0
55.05499	12.4
56.05030	3.6
57.03426	4.7
59.04992	3.7
60.04510	3.6
61.02909	3.9
63.27938	1.8
67.05493	23.3
69.03410	10.4
69.07047	4.7
69.88243	4.7
69.88650	6.8
70.06575	18.1
71.04980	5.9
72.08142	15.8
73.02898	4.4
79.05484	16.0
81.03413	4.3
81.07038	71.0
82.06562	2.8
83.04972	5.0
83.08597	3.9
84.04485	6.9
84.08126	18.2
85.02894	28.3
85.06516	2.3
86.06018	1.9
86.09687	27.2
87.04440	2.1
88.02192	3.2
88.03969	3.2
90.05519	4.2
91.05464	59.6
93.07026	59.3
94.06546	4.2
95.04943	11.7
95.08601	14.1
97.02864	6.1
99.04434	5.9
100.07596	10.0
102.05553	2.4
105.07011	90.6
106.07339	2.7
107.04929	2.4
107.08575	33.8
109.02851	2.8
109.06491	8.4
109.10138	8.0
110.05987	4.3
110.07127	6.6
111.08093	4.8
116.07079	2.5
118.06511	4.2
119.04936	2.0
119.08485	3.2
120.08090	10.3
121.10124	25.8
122.05991	8.4
123.04432	1.9
123.08034	6.2
123.11686	28.2
124.82233	1.9
125.09612	4.2
127.03899	7.4
129.10216	5.6
130.06496	4.9
131.08548	6.1
132.08090	3.5
133.04926	2.3
133.06479	3.5
133.10109	100.0
134.10435	3.3
135.08043	5.8
135.11646	6.7
136.07556	5.7
137.05988	2.6
139.11107	2.3
140.07051	10.4
144.08072	3.2
145.04901	4.1
146.04965	1.8
146.05957	13.7
147.04323	2.3
147.09172	3.7
148.07474	2.5
151.11150	45.5
153.09079	7.0
154.04973	6.0
154.06346	2.1
157.13322	8.2
165.05460	2.2
167.07059	3.7
169.08664	1.9
169.12225	29.9
172.07567	2.4
176.07034	6.3
177.05354	5.5
178.04977	7.2
180.08673	5.7
182.08098	3.0
185.12856	3.3
187.13200	2.8
188.06961	14.0
190.05008	6.4
190.17412	3.0
202.10672	2.6
204.06577	6.3
205.09775	4.8
207.07747	4.8
208.09703	6.3
210.07553	2.7
215.11812	2.2
220.11755	10.6
229.09657	3.8
233.16533	1.9
243.11278	5.3
245.08995	2.5
271.10703	13.6
281.14905	7.7
299.06705	1.8
299.10092	4.8
317.11203	4.4
323.11395	8.9
325.97955	2.2
331.12833	4.0
335.12280	20.6
349.14072	2.1
349.24796	3.3
366.12018	4.1
366.18869	2.5
366.27466	4.9
367.15060	9.3
378.93036	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	366.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.4
55.05499	3.7
56.05024	1.5
57.03422	2.6
57.07055	1.7
59.45301	0.8
60.04514	41.8
67.05489	12.8
69.03405	3.0
69.07062	5.8
69.55472	1.7
69.55896	4.9
70.06570	4.1
71.04980	19.1
72.04489	1.2
72.08125	3.6
74.06054	1.3
79.05489	5.9
81.03411	1.2
81.07038	15.6
82.06552	1.4
83.04967	2.0
83.08597	1.7
84.04500	1.1
84.08097	1.5
85.02897	5.7
85.06528	29.4
85.07635	1.3
86.06039	1.2
86.09701	4.3
87.04442	1.1
88.02195	1.8
90.05573	0.9
91.05466	11.0
93.07023	8.5
94.06546	1.3
95.04964	2.8
95.08597	5.0
97.02910	1.2
97.06512	2.8
97.10136	0.8
100.07572	1.1
105.07021	11.4
107.04937	1.2
107.08582	11.7
107.81013	0.7
108.08150	1.2
108.08963	0.9
109.06500	3.2
109.10138	14.4
110.06039	1.3
110.07128	0.9
111.08041	2.8
112.07591	1.1
116.07058	1.2
117.06963	1.0
119.08546	3.0
120.08065	2.5
121.06497	1.1
121.10130	2.6
123.08048	1.7
123.11680	3.9
125.09642	1.3
128.07098	1.0
130.06491	1.3
131.04951	1.1
131.08522	1.6
133.10106	31.0
135.07973	1.2
135.11641	1.2
136.06148	3.4
137.05954	1.8
140.60933	0.9
145.10117	1.0
147.04399	2.1
147.11667	0.8
151.11154	24.7
157.10066	0.9
161.09476	1.1
167.06961	2.4
169.08621	0.8
169.12206	30.0
178.07217	1.5
187.13255	100.0
188.13695	1.9
189.10219	1.1
201.12173	1.3
204.12395	1.5
227.11700	7.0
228.12120	0.9
245.12840	7.2
246.13327	0.9
253.11801	1.1
276.23236	1.8
294.24203	3.0
312.25241	3.6
320.11102	0.8
330.26205	4.1
331.23734	2.8
348.26929	10.5
366.14157	2.0
366.28387	50.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.3
55.05494	0.8
55.54408	0.5
56.05018	1.5
56.96543	1.5
57.03429	0.7
57.07072	0.9
58.99545	0.7
59.04697	0.5
59.04966	0.6
59.78172	0.6
60.04515	1.1
65.53050	0.6
67.05482	1.2
69.03426	0.9
69.07054	1.1
70.06573	3.3
70.47455	0.5
70.63108	1.1
70.63457	1.1
71.06097	3.7
72.04507	1.4
72.08134	1.4
73.02885	1.9
74.00651	4.1
74.02432	0.7
76.02229	4.3
77.00618	3.5
81.03383	0.8
82.06547	1.7
84.04483	1.3
84.08128	9.4
85.02872	2.1
85.06514	1.7
86.06053	18.3
86.09675	1.7
88.02188	1.8
88.03978	4.0
89.03925	0.6
91.05447	1.8
92.01682	0.9
95.04934	2.3
97.02846	1.1
98.06058	4.0
98.97556	1.4
99.04440	1.0
99.05596	0.6
102.03745	18.6
107.04908	0.9
110.07125	1.6
110.97568	0.6
112.07523	0.7
113.05975	1.6
115.08681	6.4
116.37032	0.6
116.98558	0.9
117.03360	1.3
118.03220	16.3
119.04920	2.0
120.01144	52.4
120.08069	1.0
124.07563	2.1
125.07095	0.8
128.05272	1.2
128.07076	0.7
129.10231	1.3
130.03195	7.2
130.04945	1.4
130.06479	1.4
130.08649	2.7
131.06837	1.6
134.02676	0.8
134.99629	0.8
136.07524	2.5
141.06464	0.7
142.08595	4.3
144.04768	3.7
145.02771	2.6
147.04410	4.7
147.05835	38.1
148.04243	11.2
156.04741	3.5
156.07689	0.9
162.02132	2.1
163.03915	0.8
165.06895	3.9
166.05305	0.7
173.07422	9.7
174.05516	1.1
177.00612	1.0
177.05438	4.2
184.09619	2.2
191.04825	1.4
204.96169	0.6
207.07961	1.5
219.01762	1.2
219.07971	4.4
236.10585	100.0
237.02835	0.9
237.10875	1.8
244.07875	0.6
246.08990	0.9
255.14424	0.8
259.11102	0.9
261.12671	1.1
279.09052	0.7
288.39230	0.6
294.12177	0.5
295.06650	0.5
307.04666	0.5
313.96692	0.5
330.14273	0.7
348.15820	24.1
348.20114	1.2
363.53897	0.6
366.16678	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	366.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07914	0.4
50.25742	0.4
51.28339	0.5
53.03936	1.0
55.01863	1.1
55.02941	0.4
55.05495	2.8
56.05011	0.8
59.04967	0.9
60.04514	8.2
67.05487	3.1
69.03412	2.9
69.07034	1.1
70.06590	3.0
70.28928	0.5
71.04967	2.1
71.51606	0.7
72.08144	2.5
74.06081	0.8
76.02190	1.3
79.05470	4.7
81.07036	3.8
83.04967	1.6
83.08601	3.3
83.73040	0.6
84.04481	0.9
84.08115	1.7
85.02876	0.9
85.06518	0.6
86.09681	2.5
88.02187	1.8
91.05459	3.4
93.06470	0.8
93.07027	8.5
95.04935	6.0
95.08579	1.7
97.02898	0.5
97.06527	0.6
99.04439	1.8
100.07600	1.1
101.06005	0.7
105.07014	1.9
107.04924	0.8
107.08572	11.0
109.06484	2.6
109.10118	2.1
110.07151	1.2
111.04450	2.6
111.08060	33.1
112.11871	0.5
115.05463	0.6
115.63061	0.5
117.06998	1.6
119.04908	2.1
119.08556	0.7
120.08065	1.3
121.06562	0.5
121.10143	1.0
123.11693	0.9
124.07574	1.2
125.09602	11.4
127.11147	1.2
133.04922	1.5
133.10091	1.0
134.02737	2.4
135.06984	1.0
135.08026	20.6
136.07545	1.4
142.03165	0.7
146.81070	0.5
147.04367	6.2
151.11153	1.0
153.09074	100.0
154.09413	1.5
156.41341	0.5
163.07521	7.8
169.12219	4.9
169.46300	0.5
171.10133	41.7
172.10503	0.8
174.03998	0.7
179.04915	0.7
179.48195	0.5
180.32660	0.4
181.08559	4.8
187.13287	1.4
190.60393	0.6
199.09615	20.5
207.11304	0.5
212.53915	0.5
217.10672	14.8
218.08180	0.9
247.10611	0.6
257.13962	0.6
267.09332	0.8
267.12216	16.6
268.12506	0.9
285.13275	11.0
303.14273	0.9
313.12695	7.4
330.26346	1.6
331.13812	11.2
348.27335	2.0
349.14859	1.5
366.13275	0.7
366.28287	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90621	0.3
53.03912	1.2
55.01846	1.3
55.05482	0.6
57.03431	3.4
59.04974	0.6
60.04517	5.9
61.02927	2.2
61.81224	0.3
67.05468	1.2
67.45691	0.3
69.03416	11.1
69.07040	0.4
69.64014	0.9
69.64436	1.3
70.06589	1.5
71.01322	1.3
71.04984	2.7
72.08134	1.7
73.02911	1.7
74.74647	0.3
75.04456	0.3
77.17711	0.3
79.05469	1.4
80.04949	0.3
81.03409	1.8
81.07033	1.3
84.04490	0.3
84.08103	1.0
85.02898	0.4
86.09676	1.2
91.05457	0.8
93.07014	1.1
95.04935	0.7
95.08562	0.9
97.02849	0.3
97.06452	0.3
99.04446	2.5
99.04987	0.4
100.07594	1.5
105.07002	0.4
106.06561	2.5
107.08573	0.7
109.10130	0.7
111.08064	0.7
116.04948	2.6
117.05508	0.6
118.05266	1.9
118.06531	0.9
119.08546	0.5
120.08038	0.6
122.02356	0.4
122.06041	0.3
123.02702	0.4
124.07562	0.6
125.09575	0.4
129.10182	0.4
130.06505	1.7
130.08598	0.5
131.06010	1.5
133.07578	8.7
133.10126	0.4
134.05937	0.8
135.08028	1.8
135.08983	0.3
136.07535	0.6
143.05980	1.4
143.07123	0.3
144.04401	0.4
144.06889	0.4
144.08003	1.5
145.07571	13.3
146.05936	0.3
146.08263	1.0
147.09132	1.3
148.06311	0.7
151.11174	0.5
153.09079	2.0
157.07585	1.9
158.04799	0.4
159.09149	1.3
161.07054	2.5
163.08641	14.4
164.08983	0.7
169.12151	0.5
170.08340	0.4
171.05489	0.8
171.09132	1.2
172.07472	1.0
173.07079	1.0
173.10693	0.6
175.08603	4.0
176.09363	0.9
177.06581	2.5
183.09055	0.8
184.07521	0.5
184.09953	0.5
185.10680	0.8
188.09401	0.4
189.06520	7.5
189.10216	0.7
190.08672	0.5
191.08171	0.6
196.06001	0.5
197.06340	0.6
200.09372	1.5
201.10176	2.6
202.10861	0.5
203.08211	0.7
203.11725	0.6
205.09669	1.2
207.07608	100.0
208.07951	3.9
211.08562	0.5
213.10219	1.3
214.06032	1.5
215.08153	1.0
215.11731	0.8
215.59842	0.3
217.09729	0.8
217.13185	0.3
219.11131	0.4
227.08174	0.4
229.09700	1.0
230.10461	0.5
231.11237	1.4
232.07123	12.5
233.07159	0.3
233.09317	0.4
235.10754	0.5
241.09665	0.9
243.11115	0.5
249.08658	0.5
249.12363	1.0
261.08737	0.4
261.12238	1.8
269.09164	0.7
275.10205	0.8
277.05096	0.3
277.11682	0.4
279.13309	6.8
280.13718	0.5
287.10254	1.6
305.11368	2.2
306.55029	0.3
312.25363	0.4
323.12311	46.7
324.12671	2.6
330.26324	1.0
331.13690	0.5
334.11014	0.4
348.11810	4.2
348.27356	1.8
366.12881	76.6
366.27975	5.1
367.13110	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	366.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
55.01860	1.0
55.05493	0.4
56.05016	0.3
57.03181	0.2
57.03431	3.3
59.04976	0.4
60.04251	0.2
60.04516	2.9
61.02919	1.9
65.03918	0.3
67.05476	0.5
69.03419	9.7
69.07040	0.8
69.50629	0.2
69.63808	0.3
69.64211	1.1
70.03738	0.2
70.06237	0.2
70.06582	2.8
71.01337	1.2
71.04980	3.1
72.08126	0.6
73.02911	1.2
73.22278	0.2
75.04474	0.2
76.03983	0.2
79.05477	1.0
80.04988	0.3
81.03416	1.4
81.07053	0.9
84.04498	0.3
84.08112	0.8
85.02884	0.6
86.09696	2.1
87.04446	0.4
88.03955	0.3
91.05447	0.5
93.07014	0.8
94.06521	0.3
95.04917	0.5
95.08569	0.8
97.02869	0.3
97.06512	0.4
99.04438	2.7
100.07613	0.9
102.05550	0.2
104.04937	0.3
105.07011	0.4
106.06540	2.2
107.08555	0.7
109.02818	0.2
109.10138	0.3
110.07136	0.5
111.08054	0.6
115.08650	0.4
116.04945	2.4
117.05474	0.8
117.06987	0.3
118.05257	2.2
118.06075	0.2
118.06512	0.6
118.08633	0.4
119.08564	0.2
120.08060	1.1
122.05887	0.2
123.08075	0.4
124.07554	0.4
127.03889	0.3
130.06505	1.1
131.06018	1.1
132.06760	0.4
133.07585	7.7
134.05959	0.6
134.07877	0.2
135.08014	0.7
135.09068	0.2
136.07542	0.4
140.07008	0.2
141.09064	0.4
143.06020	1.4
144.04416	0.3
144.06773	0.6
144.08047	0.8
145.07579	12.8
146.08414	1.0
147.04422	0.2
147.09151	1.6
148.06250	0.6
149.10722	0.3
151.11180	0.2
153.09050	1.2
157.07570	1.4
158.04742	0.6
158.08394	0.5
159.09152	1.1
161.07076	2.4
163.08644	14.4
164.09024	0.5
170.05997	0.2
170.08310	0.5
171.05495	1.0
171.06746	0.2
171.09061	1.3
171.10362	0.3
172.07515	0.5
172.09874	0.3
173.07089	1.2
173.10715	0.6
174.07719	0.3
175.08636	4.1
176.09364	0.9
177.05370	0.2
177.06613	2.5
177.10164	0.4
182.08121	0.2
183.04929	0.3
183.09125	0.8
184.09952	0.5
185.10719	0.6
187.08595	0.5
189.06543	7.1
189.10156	0.6
190.06931	0.4
190.08600	0.5
191.08232	1.1
195.09123	0.2
196.09914	0.3
200.09433	1.7
201.10188	2.0
202.10887	0.5
203.08113	0.5
203.11714	0.7
205.09737	1.1
207.07614	100.0
208.07948	2.9
209.07874	0.3
211.08673	0.3
213.10220	0.9
214.06068	1.0
215.08101	0.8
215.11694	1.3
217.09741	0.6
217.13327	0.2
227.08128	0.3
229.09697	1.2
230.10469	0.5
231.11282	1.4
232.07123	12.7
233.07376	0.4
233.13148	0.3
235.10826	0.4
241.09631	0.8
243.11121	0.5
245.09552	0.3
247.10773	0.2
249.08640	0.4
249.12314	1.3
255.29846	0.2
257.09088	0.2
259.10651	0.2
261.08893	0.5
261.12286	1.5
269.09094	0.6
275.10257	0.7
277.11761	0.4
279.13324	6.4
280.13669	0.4
281.14798	0.4
287.10223	1.2
305.11334	2.6
314.65445	0.3
323.12311	44.1
324.12582	1.6
330.26285	0.8
348.11758	4.3
348.15738	0.3
348.27420	1.2
366.12888	76.2
366.28281	3.3
367.13184	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	366.0359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02670	0.4
70.00726	1.5
116.98628	0.5
119.01900	2.9
127.72876	0.4
137.02893	1.1
177.00912	8.3
201.00946	0.5
216.98909	0.8
217.03976	0.9
219.01964	14.3
220.02153	0.6
221.01801	0.7
222.97798	0.8
225.00900	1.1
226.89059	0.5
227.53961	0.5
234.99918	7.4
236.00066	0.7
240.98924	1.3
242.03645	0.5
243.01891	2.4
253.00992	2.4
258.99945	15.9
260.00006	1.6
261.03006	39.9
262.03122	0.7
264.98737	3.5
277.00986	26.3
278.01138	2.6
279.00888	0.6
282.99915	37.2
283.99985	3.0
284.04684	1.2
291.99622	0.6
295.01877	0.5
300.02536	0.7
301.00980	100.0
302.01062	8.4
303.00928	1.1
304.00793	0.5
319.02017	8.0
320.02194	0.9
324.02731	3.0
325.00909	6.3
343.02032	47.5
344.02194	4.8
354.50452	0.5
361.03058	20.6
362.03177	1.7
366.03693	2.0
373.01395	0.5
384.04807	0.7
385.02994	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52963	1.7
53.03927	5.2
55.01667	1.6
55.01864	17.3
55.05503	19.2
57.03425	15.7
57.07043	2.0
57.67813	1.8
59.04984	2.0
65.03926	2.0
67.05492	35.6
69.03418	3.3
69.07050	11.8
69.48962	13.7
71.04982	6.6
72.41269	1.4
79.05479	45.3
81.03392	4.6
81.07040	100.0
82.07376	2.8
83.04966	25.9
83.08599	14.7
84.08121	2.6
85.02885	15.9
85.06503	4.1
91.05469	24.5
93.05103	1.8
93.07029	40.3
95.04946	15.7
95.08591	18.9
97.02857	3.0
97.06510	7.0
97.10165	4.9
98.21445	3.8
99.04435	5.7
99.08094	2.5
105.07017	22.6
107.04942	10.4
107.08574	21.2
109.06491	34.5
109.10116	11.9
111.04424	35.4
111.08057	9.2
113.06031	2.0
115.05470	1.9
117.06998	14.3
119.08563	33.1
121.06489	10.1
121.10126	19.7
123.04439	1.6
123.08039	13.6
125.06008	2.7
125.09616	7.7
126.05466	1.7
128.06154	1.8
129.05447	2.0
129.06985	5.3
130.07632	1.8
131.08545	15.4
133.06465	3.6
133.10106	12.7
135.08052	5.3
135.11671	10.2
137.09590	7.3
138.05533	1.9
139.07536	1.6
143.08504	5.5
145.10100	18.3
147.08020	11.9
147.11679	5.2
149.09581	8.7
149.13295	2.6
151.11128	4.1
152.28065	1.6
153.12712	10.4
155.08545	3.9
157.10098	4.2
159.08023	3.0
159.11667	6.0
161.09592	8.9
163.11139	17.9
165.09105	8.5
168.02621	1.7
169.10117	1.7
171.08147	1.6
171.10068	2.4
171.11595	3.6
173.09497	4.7
173.13341	2.5
175.11247	2.0
181.12213	14.3
185.13187	2.4
189.11218	7.4
189.12785	2.1
191.10612	5.1
199.11095	3.0
209.11749	2.3
216.44395	1.7
223.13239	3.8
227.12741	8.3
227.17902	3.7
229.14377	1.9
245.19041	4.2
249.14825	7.6
253.14374	4.6
255.17456	3.4
263.20160	1.8
273.18469	37.6
273.21255	3.4
274.18924	2.5
277.21484	3.0
291.19498	79.3
292.19696	4.0
347.22095	4.0
365.23041	54.0
366.23669	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	365.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.1
53.75365	1.3
55.01868	8.0
55.05501	29.7
57.03437	9.5
59.04988	1.5
61.67273	1.7
67.05496	27.5
69.03427	11.5
69.07057	35.6
71.53204	2.7
75.25165	1.4
79.05483	30.3
81.03409	7.3
81.07039	26.3
83.04968	7.7
83.08620	11.1
85.06543	1.7
85.67333	1.6
91.05464	14.5
93.07030	18.5
95.04943	6.0
95.08584	12.8
97.02873	17.9
97.06499	4.6
97.10152	16.9
98.26501	1.4
105.07018	11.8
107.04965	7.3
107.08598	15.0
107.84940	1.4
109.06490	4.2
109.10132	14.2
111.04436	1.9
111.08065	2.6
117.07002	7.6
119.08554	11.6
121.06495	2.7
121.10126	6.3
123.08038	4.0
125.09616	15.6
126.08965	1.6
131.08571	8.0
133.10107	5.7
135.08060	5.0
135.11681	2.0
137.05940	1.6
137.09592	2.8
143.08574	2.0
145.10107	5.1
147.08049	7.8
147.11673	3.4
149.09534	2.0
149.13261	2.1
157.10043	3.6
159.11690	2.8
161.09602	2.0
165.09105	2.9
171.11627	1.8
173.11714	1.5
175.11211	1.9
177.12640	1.8
189.11211	8.4
205.12260	3.5
223.13254	31.4
245.18930	3.0
273.18420	13.1
291.19492	100.0
292.19815	4.0
347.13074	2.8
347.22226	2.0
347.26184	1.8
365.23209	62.3
366.23502	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	365.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.3
53.77940	1.6
55.01863	7.5
55.05504	27.4
57.03429	9.4
57.07061	1.6
60.05654	1.3
67.05498	27.5
69.03426	15.2
69.07056	42.2
70.06563	2.0
71.04980	2.3
71.52125	3.1
73.02897	1.4
79.05479	24.8
81.03400	5.2
81.07048	20.3
83.01314	1.4
83.04952	4.7
83.08611	10.8
84.04467	2.3
84.08100	2.1
85.06497	1.7
88.17357	1.4
91.05464	16.6
93.07034	21.1
95.04938	8.0
95.08601	14.6
97.02879	14.8
97.06508	4.4
97.07610	1.5
97.10149	16.0
105.07015	15.3
107.04939	7.8
107.08570	16.4
109.06493	4.4
109.10133	9.2
111.08074	1.9
117.06985	6.9
119.04787	2.0
119.08572	13.8
121.06471	2.4
121.10120	5.9
123.08081	4.6
125.09619	12.3
126.05539	1.9
129.06976	3.5
131.08505	7.9
133.06471	2.7
133.10068	7.1
135.08025	4.3
135.11700	3.0
137.09583	3.6
143.08519	4.4
145.10104	7.4
147.08040	4.6
147.11687	3.9
149.09544	2.5
149.13249	2.7
153.09081	1.7
157.10086	3.2
159.11723	3.4
161.09598	3.9
169.10048	2.6
171.11696	2.1
173.13252	1.7
189.11189	5.1
189.12753	1.7
197.97046	1.6
205.12238	2.8
223.13242	31.2
245.19011	2.4
255.17386	1.8
263.20160	1.7
273.18454	18.7
284.12607	2.3
291.19489	100.0
292.19882	3.0
332.88602	1.6
347.22369	1.9
351.67242	1.5
365.23203	67.1
365.33051	2.5
366.23627	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99032	0.2
70.04963	1.2
70.05268	0.3
71.37910	0.2
84.46946	0.3
96.14179	0.2
98.20890	0.4
98.32332	0.2
185.04181	17.0
203.05226	44.5
204.05597	0.5
219.55217	0.3
221.06384	0.3
365.10495	100.0
366.10861	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	365.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81675	0.6
52.90140	0.5
55.01860	1.5
55.05491	1.8
56.05014	0.5
60.04507	0.8
67.05481	1.4
69.03410	2.5
69.07052	1.6
70.06573	2.4
72.08147	3.3
73.02906	0.5
79.05460	0.7
81.03397	1.2
81.07034	2.8
83.04927	0.8
83.62892	0.5
84.04499	0.7
84.08130	1.9
85.02883	1.7
85.06548	0.9
86.09682	2.2
88.02192	1.6
91.05462	2.1
93.07008	2.0
95.01350	0.7
95.04939	1.3
95.08594	1.0
96.04411	0.6
97.06499	0.9
97.75021	0.6
99.04437	1.2
101.06010	1.0
105.06998	1.7
107.08616	0.8
109.06499	1.5
109.10141	0.9
110.07156	0.8
111.08028	0.7
113.06028	0.7
116.44330	0.6
119.08569	1.5
120.04408	0.6
120.08074	1.4
120.08887	0.7
121.06496	1.1
121.10126	1.5
122.06022	2.1
127.03924	2.7
129.05460	0.5
129.10182	0.8
131.08525	0.6
132.08089	0.6
133.10123	1.0
134.02617	0.7
134.05966	0.6
136.06122	0.9
136.07655	1.2
137.05966	3.3
137.32747	0.5
138.05486	1.6
140.07013	1.0
144.08067	0.8
145.10135	0.8
147.08058	1.3
148.03932	1.2
148.07535	2.5
149.02274	3.3
149.05998	0.6
153.09145	0.8
158.49390	0.7
159.11603	0.6
160.07520	0.6
161.05905	1.6
161.09581	0.6
166.04968	3.9
167.07002	1.3
167.10718	0.7
168.06549	1.7
171.09148	1.3
172.07510	2.6
174.09149	1.4
175.07365	1.0
175.08664	4.1
176.07028	7.4
176.09332	0.7
178.08591	1.0
179.10654	1.1
184.07506	0.7
189.10323	3.2
190.08621	1.9
194.08084	0.8
196.07552	1.1
198.07588	1.0
198.09210	1.1
199.08681	5.4
200.07037	2.6
202.08644	1.8
203.08232	11.9
204.06558	1.4
204.08530	1.0
207.11409	0.9
213.10170	2.9
214.08623	1.6
215.11804	0.8
216.10236	1.3
217.09729	10.0
218.08130	1.3
218.10159	0.6
219.11247	0.7
224.07130	1.3
226.08755	0.8
227.08150	11.4
228.06531	2.1
228.08760	1.1
229.09605	1.1
231.07611	1.1
231.11249	0.8
235.10703	3.2
241.09662	8.0
242.08064	3.7
242.10228	0.8
243.11206	1.3
244.09740	1.7
245.09207	39.1
246.09648	1.6
247.10779	1.9
249.08609	0.6
250.07106	0.7
255.07556	0.8
259.10760	7.9
263.10239	22.3
264.10492	0.9
269.09149	2.4
270.07455	1.1
273.08752	3.3
275.00455	0.6
277.79526	0.6
283.10318	0.7
287.10211	17.0
289.11755	1.7
291.09714	5.9
297.08755	1.1
305.11276	66.1
306.11682	2.7
315.09619	3.0
323.12305	17.0
324.12579	0.8
333.10751	12.0
333.14484	1.2
334.10757	0.8
337.66672	0.6
347.12418	0.9
365.13370	100.0
366.13641	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	364.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01837	1.2
55.05498	4.4
57.03417	1.3
57.07066	31.7
59.04989	13.9
67.05479	5.3
69.07056	4.2
70.13688	5.1
71.08616	16.2
74.09706	62.9
74.70049	1.1
75.10019	1.2
79.05466	1.9
81.07039	5.5
83.08622	3.0
85.06516	1.3
85.10172	5.5
89.06017	68.5
91.05453	1.9
93.07034	6.1
95.08595	5.8
97.06499	1.3
97.10159	1.1
99.08086	3.9
105.07008	2.7
107.07042	4.8
107.08592	3.9
109.06497	4.5
109.10154	3.7
111.11737	1.3
117.09126	3.8
119.08591	1.8
121.10167	2.9
123.08080	2.3
130.08604	2.9
133.08614	7.6
133.10126	2.1
145.10222	1.4
151.09627	100.0
152.09950	1.9
159.11664	1.4
165.12796	3.1
166.37485	1.3
167.25836	1.2
175.14720	1.2
179.14270	1.8
180.14653	1.4
184.13280	1.7
212.67546	1.2
229.47586	1.1
235.16867	1.6
263.46896	1.3
266.24765	9.2
271.26190	1.2
291.23245	6.5
346.30887	1.5
364.32162	53.9
365.32443	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	364.3201
Annotation	Terminaline
Peak:m/z	Relative Intensity
53.03902	1.3
53.54571	0.3
55.01821	1.0
55.05502	16.0
57.03407	0.6
57.07026	1.1
60.08155	2.6
65.03924	1.6
67.05491	38.4
69.07056	15.1
71.04939	1.3
71.08582	0.5
73.02860	1.4
73.06525	0.4
79.05478	23.9
81.07040	31.5
82.07347	0.5
83.04943	0.8
83.08155	0.5
83.08604	5.8
85.06515	0.9
86.09686	0.8
89.05968	0.6
91.05466	8.8
93.07024	28.7
95.04965	2.3
95.08589	22.4
96.08945	0.3
97.06464	0.6
97.10176	1.5
99.04404	1.5
99.08028	0.5
105.04510	0.7
105.06401	0.4
105.07013	5.4
107.08573	14.2
109.06461	1.1
109.10133	8.3
111.08029	0.4
117.06941	1.2
119.08546	3.4
121.10120	8.6
123.08035	1.0
123.11673	1.5
131.08600	1.6
133.10107	2.7
135.10852	0.4
135.11662	4.6
137.12276	0.3
143.08525	0.4
145.10016	1.2
147.06577	0.3
147.11636	1.4
149.09572	0.4
149.13232	2.2
159.11722	0.5
161.13167	0.6
163.11121	0.4
163.14757	1.3
171.74063	0.3
173.13184	0.6
175.14796	0.6
187.14674	0.4
192.31520	0.3
192.55043	0.4
229.10417	0.3
305.24683	51.4
306.24966	2.0
364.32022	100.0
365.32379	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	363.3097
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58414	0.3
53.00298	0.7
55.05505	1.6
57.07064	100.0
58.07407	0.9
59.04989	12.3
60.42538	0.3
67.05497	1.2
69.07060	1.8
69.39941	3.0
70.45224	0.4
71.08618	80.2
72.08965	0.8
79.05485	0.8
81.07038	3.2
83.08595	2.0
85.10165	63.5
86.10513	1.2
87.04446	0.8
89.06012	19.8
91.05469	0.8
93.07043	1.2
95.08585	1.9
97.10152	1.5
99.11715	13.4
103.07571	2.0
105.07009	1.4
107.07062	1.0
107.08568	1.8
109.10146	1.4
111.11704	0.6
112.84734	0.3
113.13253	4.9
117.09171	0.4
119.08556	2.3
121.10102	1.1
124.60073	0.3
130.08630	1.1
130.64456	0.3
131.08516	0.5
133.08582	16.4
133.10118	0.8
135.11658	0.4
145.10101	1.5
147.11626	0.8
149.13176	0.5
151.09624	10.6
155.17902	5.8
157.10085	0.5
159.11656	1.2
161.13185	0.7
169.10008	0.5
171.11653	0.4
173.13191	0.8
175.14857	0.5
179.14220	0.6
183.11613	0.7
185.13220	0.5
187.14709	0.4
189.16295	0.4
191.12692	1.0
195.12209	1.6
199.14719	0.5
201.16310	0.6
209.13730	1.6
213.22098	3.8
215.18042	0.5
227.17854	0.4
230.69397	0.3
244.51047	0.4
278.12201	0.3
281.22241	0.3
293.22617	0.5
363.30447	9.7
364.30890	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.0
55.01857	8.0
55.05498	9.2
56.05018	2.6
57.03408	3.7
57.06034	1.5
58.26981	1.3
58.99593	1.5
59.35023	1.5
60.04253	2.0
60.04517	21.5
65.98516	1.4
67.05489	12.3
69.03405	4.3
69.07049	5.1
69.40130	7.5
69.40556	6.2
70.06590	9.0
71.04974	20.9
72.08138	26.2
73.02902	22.6
75.04434	3.8
79.05476	16.5
81.03393	4.0
81.07043	18.2
83.04968	13.9
83.08577	2.0
84.08115	3.3
85.02892	40.3
86.09705	8.5
88.03934	1.4
91.04893	2.0
91.05460	40.9
93.07024	66.3
94.07362	2.3
95.04922	7.4
95.08591	17.3
97.02881	3.0
97.06527	3.8
98.06030	1.7
100.07555	2.1
101.06023	2.9
103.05433	3.0
105.03306	1.7
105.07009	12.9
107.04933	3.4
107.08556	10.8
109.02850	1.7
109.06496	4.3
109.10114	4.9
110.06007	2.4
111.04434	13.4
111.08096	2.6
117.06997	9.4
119.04847	1.9
119.08557	100.0
120.08053	5.0
120.08878	3.2
121.06476	6.3
121.10120	42.2
122.02657	2.0
123.04404	5.7
123.06368	1.5
123.08052	3.5
123.11671	8.3
124.07569	12.4
125.05978	2.9
125.08288	4.8
127.03885	6.0
129.05472	18.3
129.06978	6.0
129.10226	1.9
131.08539	5.3
133.10081	5.0
135.08014	5.0
135.11610	2.7
136.06154	18.3
136.07498	3.5
137.05927	7.5
137.09583	17.8
139.11128	5.6
140.07053	2.1
145.04919	2.9
145.10066	2.7
147.06744	3.3
147.08012	55.3
147.11693	3.0
148.07504	2.3
149.02357	2.7
149.05904	2.8
149.09586	5.6
153.09061	11.3
157.45728	1.6
161.05907	2.9
161.09570	3.9
165.09081	89.3
166.04877	2.8
167.06976	2.2
167.10626	17.8
168.07416	3.2
171.14891	6.3
172.07553	1.7
175.08704	3.1
176.07045	4.1
179.10645	6.7
183.10136	6.4
185.11728	2.0
189.08936	3.3
190.05043	1.7
197.11722	5.6
199.08514	2.6
199.14400	7.4
200.07076	2.5
202.06935	2.1
203.08110	6.1
203.10745	1.6
204.06477	2.1
205.06934	2.1
207.10103	5.5
210.79648	1.5
217.09671	5.8
224.06807	1.9
225.11263	3.6
227.08134	3.5
229.09669	2.1
241.09750	3.6
245.09212	20.8
259.10748	5.5
263.10257	14.5
269.09052	2.6
274.21524	1.8
275.12711	2.9
287.10117	9.9
291.09644	4.4
293.13834	2.5
305.11234	34.7
310.23785	2.7
311.14832	2.6
314.10156	2.7
323.12283	6.9
328.13663	3.8
328.24744	5.1
333.10614	8.1
346.25842	9.1
350.12219	6.0
364.19946	12.1
364.26822	25.0
365.13342	59.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.3096
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	1.8
57.03416	1.3
57.07061	97.5
58.07411	0.6
59.04986	35.8
59.86646	0.5
67.05486	0.8
69.07025	2.5
69.26064	2.9
69.26495	2.2
71.08614	100.0
72.08965	0.7
74.00665	0.5
74.72501	0.4
81.07040	1.0
83.08609	2.9
85.06541	0.6
85.10162	89.5
86.10503	0.9
87.04459	0.7
89.06008	18.9
95.08587	1.1
97.10155	1.3
99.11710	9.5
100.07578	0.7
100.23070	0.5
101.09655	1.7
103.07525	1.4
103.09540	0.5
104.56997	0.5
107.07043	5.0
107.08557	0.6
111.11713	0.9
113.13229	0.5
117.09118	8.1
130.08563	1.3
133.08545	2.3
133.10124	0.7
139.14746	0.5
141.16339	6.0
147.10129	4.0
151.09607	1.7
165.11177	1.9
187.08488	0.6
195.12221	3.1
199.20534	7.5
204.85042	0.5
205.14272	0.8
240.23273	0.6
257.24686	3.8
363.20221	0.7
363.30664	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	363.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
54.08030	0.4
55.01858	0.9
55.05262	0.4
55.05505	4.6
57.07059	1.6
59.04986	0.5
66.39226	0.4
67.05496	4.7
69.03419	0.4
69.07058	9.3
69.18272	2.6
69.18704	1.4
71.04982	1.8
71.08614	0.9
73.06524	0.7
79.00446	0.3
79.05478	3.8
81.07043	9.6
83.04981	0.9
83.08614	3.6
85.06552	0.5
85.10144	0.4
89.06013	0.6
91.05453	2.0
93.07032	4.8
94.43764	0.4
95.04923	0.4
95.08591	8.8
96.12025	0.3
97.06497	1.8
97.10132	0.9
99.08057	0.7
105.07034	2.7
107.08578	5.1
109.06487	7.4
109.10124	4.0
111.08042	2.0
119.08563	3.7
121.10111	3.3
122.07282	0.4
123.08047	54.0
123.11669	2.0
124.08411	1.7
125.09586	0.6
127.70519	0.4
131.08559	0.9
133.10104	2.6
135.08023	3.8
135.11682	1.6
137.09593	3.8
137.13210	0.9
145.10115	1.0
147.11661	2.0
149.09598	1.2
149.13176	2.1
151.09656	0.6
151.11159	0.8
157.09987	0.4
159.11655	1.0
161.13242	1.2
163.11156	0.8
165.12727	1.2
167.14320	0.9
170.64659	0.4
173.13284	0.8
177.12708	0.5
177.33098	0.4
179.14279	15.0
193.15793	0.5
233.19006	0.7
263.19989	0.7
275.20032	1.8
289.25156	0.9
295.22873	0.4
303.26712	1.1
307.22583	8.2
321.24301	0.4
331.26340	3.8
332.26956	0.4
363.28867	100.0
364.29236	6.0
372.39627	0.5
372.83032	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	2.9
55.05711	0.5
57.07061	5.6
59.04979	1.1
60.22233	0.6
61.82459	0.7
67.05488	5.1
69.07056	4.7
69.28403	5.8
71.04967	0.7
71.08620	5.9
79.05464	2.3
81.07051	10.3
83.04967	1.2
83.08602	0.9
85.06535	3.3
85.33646	0.5
89.06014	3.1
91.05512	1.3
93.07044	3.7
95.04933	1.0
95.08591	8.5
97.06518	1.1
97.10136	0.7
99.08059	2.1
104.59551	0.6
105.06996	2.1
107.08591	4.3
109.06499	17.5
109.10125	2.7
111.08079	1.0
119.08541	2.1
121.10091	2.3
122.07285	1.6
123.08048	28.6
123.10597	0.6
123.11665	1.3
131.08557	0.7
133.08571	1.0
133.10103	1.8
135.08005	2.0
135.11665	1.1
135.18103	0.6
137.09584	1.1
145.10124	0.6
147.11659	1.7
149.13171	0.6
151.14783	0.7
159.11618	0.7
165.12718	1.1
167.14366	0.7
179.14278	94.5
180.14626	2.8
191.79698	0.6
193.15862	2.8
195.12250	0.9
275.20279	0.8
307.22672	1.3
331.26318	4.0
363.28854	100.0
364.29172	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	363.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.1
55.05500	1.4
65.03922	1.0
66.42654	0.8
67.05485	3.9
68.05005	2.2
69.03403	2.6
69.07058	6.7
69.60645	6.1
70.06576	3.8
72.08134	1.6
79.05466	2.3
80.05008	1.0
81.03383	2.7
81.07032	3.8
84.08134	2.7
85.02911	5.0
86.09668	1.8
88.03954	1.2
91.05458	4.1
93.07003	1.4
94.06550	14.8
95.04951	3.1
95.08619	1.3
96.04478	1.0
97.06527	2.0
98.21445	2.0
99.04440	1.9
100.07611	1.1
103.03921	4.0
105.07017	3.7
106.07353	1.1
107.08565	1.9
108.08086	1.4
109.02858	1.8
109.06516	1.2
110.06022	2.5
110.07166	1.3
112.07595	2.3
116.04932	3.6
118.06512	1.0
119.08546	3.2
120.04427	1.5
120.08077	1.2
121.10110	1.8
122.06009	43.5
122.06886	2.3
123.04382	2.8
124.07580	1.7
127.03884	5.1
133.10138	1.2
136.07536	1.2
137.05940	1.5
140.07040	60.2
141.07332	1.7
142.75385	1.0
144.04413	7.5
145.04906	1.7
146.05994	11.7
146.07101	1.6
147.04361	2.0
147.08058	1.3
148.03880	5.2
149.04581	1.0
150.05452	1.6
151.07512	1.3
161.05957	1.4
162.05447	10.5
162.06560	1.2
166.04973	2.1
167.07021	8.5
172.03908	48.2
173.04401	1.0
174.05423	5.6
178.08600	1.7
186.12637	1.0
187.06030	1.2
189.09067	1.0
190.04953	7.2
200.10710	1.0
204.06525	100.0
205.06947	4.3
206.08089	32.5
207.08327	1.4
222.07510	4.3
241.14003	1.0
244.09579	5.6
271.10666	4.0
272.09085	1.2
289.11795	16.1
290.53775	1.0
303.09583	2.1
307.12817	8.9
313.11664	4.1
327.13409	4.4
331.12720	12.2
332.13135	1.0
345.10638	2.2
345.14429	18.8
346.14722	1.6
363.15674	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	362.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58770	1.1
55.05484	1.7
57.03426	6.2
57.07064	100.0
58.07409	1.4
59.04715	1.0
59.04988	18.0
61.45186	1.1
67.05489	1.0
69.07041	4.3
71.08617	73.4
72.08126	3.0
75.04462	3.9
81.07034	1.8
83.08598	1.7
85.10165	63.0
87.08080	1.1
91.05466	2.7
93.07034	1.3
95.08560	1.2
97.06509	7.2
97.10177	1.9
99.11717	14.0
109.10087	1.3
113.13248	4.7
115.07542	39.4
117.09137	6.2
133.08562	3.0
138.21176	1.3
140.80551	1.1
155.17911	10.9
191.12755	1.3
213.22070	13.9
215.65308	1.1
255.04506	1.3
271.26328	2.9
311.46085	1.3
345.30072	5.3
355.27896	1.2
362.30261	2.9
363.30197	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64498	0.5
51.91027	0.4
56.05023	3.1
56.66880	0.4
56.96539	0.7
58.06595	0.7
60.04513	0.9
60.05639	37.7
68.93324	0.4
69.00903	7.2
69.03418	0.8
70.06581	4.0
70.52116	1.7
71.04980	2.1
72.08151	1.3
73.02884	0.5
74.46667	0.4
81.03391	0.7
81.07036	0.5
82.02917	0.6
82.06535	0.8
83.06081	1.2
84.04501	2.1
84.08117	4.1
85.02902	1.8
85.04930	0.4
85.08483	0.5
86.03539	100.0
86.09684	2.8
86.64439	0.6
87.03825	0.4
88.02219	1.3
91.05486	1.5
93.07070	0.6
95.04930	1.2
97.02876	0.6
98.06045	0.7
99.05565	1.5
100.84871	0.5
102.05585	0.4
105.07032	0.7
106.06591	0.5
107.04935	0.6
109.06456	0.6
110.07179	0.9
111.05530	5.9
113.05980	0.8
113.07137	3.5
115.05479	0.6
116.07111	0.8
117.05756	1.2
118.06499	0.5
119.04963	2.3
120.04460	2.6
120.08106	0.7
121.02808	0.8
121.06462	0.9
122.02723	1.2
130.06522	0.7
130.08662	2.5
131.08955	0.8
132.04422	1.2
132.08058	1.8
134.02686	0.6
137.05928	1.5
140.07050	0.8
141.06558	5.3
147.04393	5.1
148.03879	3.4
150.05482	5.7
151.03917	0.5
160.11958	1.0
163.07542	1.0
167.07039	2.0
174.05434	0.6
176.07030	3.4
177.05446	0.8
178.09438	0.5
182.08296	0.6
183.06499	0.5
187.07155	0.6
190.09735	0.7
190.44937	0.5
201.12344	0.6
205.09695	1.5
206.12610	0.6
216.11200	0.7
219.07689	1.2
224.13609	0.6
231.07677	1.8
232.10799	3.9
233.09169	0.6
258.08685	0.6
260.10275	5.8
261.10815	0.6
270.49744	0.6
276.09747	1.5
278.11316	83.4
279.11597	4.5
304.09222	34.2
305.09460	1.7
363.14059	6.6
364.14215	0.6
364.20340	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23966	2.0
53.03932	2.6
54.42330	1.8
55.01862	5.1
55.05490	6.1
56.05011	6.2
57.03421	3.0
57.07059	2.7
58.06572	2.3
58.99567	4.7
60.04500	9.0
60.05645	3.0
65.22970	1.8
67.05482	8.1
68.05011	6.6
69.03408	8.4
69.07041	6.4
70.06585	48.1
71.04980	5.6
71.54870	3.0
72.08141	26.5
74.06066	17.0
76.02202	9.7
79.05484	15.1
80.05019	2.1
81.03405	3.4
81.07048	18.6
82.06564	5.0
83.04962	9.1
84.04492	11.0
84.07617	3.8
84.08130	74.3
85.02901	10.1
85.06531	3.8
86.00626	3.7
86.03532	7.7
86.06041	16.3
86.09692	73.8
86.99019	6.6
87.00808	3.4
88.02204	7.7
88.03968	7.0
91.05479	19.8
93.07023	27.9
95.04945	8.1
95.08587	14.0
96.08139	2.3
97.02853	4.9
97.06521	17.1
98.06017	3.8
99.04433	8.7
100.07619	4.7
102.05529	3.3
105.00074	4.9
105.07008	27.0
107.04929	10.2
107.08572	14.8
109.06496	8.8
109.10118	3.5
110.06033	2.7
110.07124	7.1
111.04444	5.6
111.08092	3.6
112.07590	2.6
113.06004	2.8
114.05490	4.8
116.07085	5.4
117.03316	2.5
117.07016	12.7
119.04919	7.9
119.07252	2.2
119.08567	26.7
120.06604	2.7
120.08066	4.5
121.06483	22.9
121.10120	33.5
122.02711	53.9
123.04408	8.3
123.08024	3.9
123.11692	47.7
125.05953	14.5
126.05459	4.4
127.03887	4.7
128.07047	2.7
129.06987	2.3
129.10204	14.3
130.04935	2.4
130.06505	3.2
130.08618	100.0
131.04883	3.0
131.08543	31.6
132.01120	4.1
132.04417	2.7
132.06618	3.1
133.10088	9.9
135.04405	4.9
135.08011	9.1
135.11678	7.7
136.07532	8.6
137.05986	13.0
137.09671	2.5
138.05415	3.5
138.06377	3.6
139.07526	4.9
139.11131	5.2
140.07007	5.0
144.09315	5.1
145.02817	8.2
145.06441	5.3
145.10066	5.2
146.05807	2.3
147.04396	8.0
149.05969	24.0
149.09604	6.7
149.13242	4.1
151.07524	3.3
153.05437	4.9
154.08597	3.2
156.07687	3.1
159.08061	11.9
159.11661	55.6
161.09573	5.3
161.13214	10.5
162.05515	3.2
163.03847	4.6
163.07506	8.4
163.11169	5.4
165.05438	6.1
165.09138	16.6
167.07010	30.4
175.03926	3.5
177.05438	19.2
177.09077	26.6
177.12720	15.1
179.10680	3.1
180.06505	4.4
181.08499	3.6
183.06502	3.3
185.05623	3.1
187.07507	9.7
187.11189	14.7
189.03413	3.6
195.06493	5.8
195.08324	2.4
195.13733	2.3
200.12712	10.6
200.34885	2.3
201.12425	4.2
203.06845	2.4
205.08524	5.1
205.12202	64.4
206.12582	3.4
207.06371	5.4
207.08104	2.6
208.09573	3.2
211.07648	3.0
216.11298	13.5
218.75476	2.3
219.13315	9.7
221.11304	2.6
223.09744	4.6
223.13255	46.0
229.11758	11.1
231.09706	4.3
233.07997	2.7
235.07515	4.5
239.13907	7.6
241.14238	4.2
250.57928	2.1
253.08531	7.7
254.14836	2.5
261.15771	2.7
278.11285	7.6
299.09241	3.2
309.13187	3.2
316.11862	7.1
344.11761	4.2
345.10349	3.6
345.14249	3.6
362.12366	14.8
362.16794	8.7
363.11996	4.1
363.16226	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.5
55.01866	1.9
55.05497	1.2
56.05019	1.5
57.03409	0.8
58.99574	6.5
60.04506	1.6
65.03921	0.6
67.05485	1.3
69.03419	2.4
69.07047	1.0
69.43707	3.8
70.06576	6.0
71.04976	0.8
72.08150	2.9
74.06077	1.1
76.02212	16.4
79.05470	3.9
81.03395	1.0
81.07050	2.3
82.06559	0.6
83.04993	0.6
84.04487	2.0
84.08133	4.7
85.02896	2.7
86.00656	0.8
86.03529	0.6
86.06089	0.9
86.09691	7.5
86.99041	4.0
88.02186	1.2
88.03959	1.7
91.05457	12.0
93.07025	7.4
95.04940	1.6
95.08586	1.1
97.02865	0.9
99.04459	1.2
102.05492	0.6
103.05417	1.4
105.00063	8.0
105.07008	10.5
107.04932	4.4
107.08570	4.3
109.06488	0.7
109.10146	1.3
110.06025	0.4
110.07133	2.3
111.04407	0.9
115.05440	1.6
116.06242	2.5
116.06989	0.8
117.06980	9.9
119.04909	1.4
119.07274	1.2
119.08566	1.3
121.06480	17.7
121.07357	0.9
121.10131	4.3
122.02700	100.0
123.03061	0.9
123.04385	1.4
123.08058	0.6
127.03881	1.0
128.06163	0.7
129.07021	2.4
129.10202	3.0
130.08604	1.6
131.04909	1.1
131.08537	48.9
132.01111	1.0
132.04399	0.6
132.08908	0.7
133.06444	1.0
133.10095	4.3
134.02612	0.6
134.05988	0.5
135.04343	1.6
135.08035	4.4
136.07472	0.8
137.05937	1.8
137.09550	0.5
138.77109	0.5
141.06891	1.2
143.11823	0.6
144.05661	0.5
145.06450	4.9
147.04352	1.7
147.08005	2.2
149.05940	4.1
149.08398	0.7
149.09587	13.9
151.07500	0.6
156.07689	1.4
159.08025	22.1
159.11514	0.7
160.08374	0.8
161.09561	4.5
163.05765	0.5
163.07492	3.0
165.05405	1.0
165.09087	12.6
167.06958	2.5
172.14354	0.7
175.07452	0.9
177.05563	1.8
177.09068	68.4
178.09383	2.4
179.10602	1.5
181.08565	0.8
183.10133	1.4
183.59117	0.5
187.07498	18.5
187.14336	2.5
188.07852	1.3
193.08621	0.7
195.10127	1.1
200.12726	0.8
205.06882	0.6
205.08543	13.4
205.12222	0.7
207.08073	1.0
211.07640	0.6
215.13840	0.9
223.09633	4.8
225.76025	0.5
235.07445	0.6
249.63115	0.5
253.08603	1.4
255.06744	0.7
278.11374	0.7
298.11118	0.5
298.15198	0.5
316.11728	2.7
326.10388	0.5
344.11356	3.2
362.12561	4.8
362.16635	0.8
363.11526	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.8
53.03927	2.2
55.01862	1.5
55.05509	1.1
57.03422	1.2
60.90491	0.7
65.03909	3.2
67.05487	1.6
69.03393	1.4
69.07040	2.5
71.04977	1.6
71.53291	1.1
71.53658	1.2
77.03931	1.1
78.04678	1.5
79.05477	13.1
81.03413	1.1
81.07040	5.3
83.04958	2.5
84.57899	0.7
85.02831	0.8
91.05460	21.7
93.07030	13.5
94.04156	1.0
95.04953	8.9
95.08594	2.9
97.06505	1.0
99.04439	1.0
100.53455	0.8
103.05449	8.9
105.04488	1.9
105.07014	11.3
106.04178	1.5
107.04936	29.2
107.08570	1.1
109.02803	0.9
109.06484	2.9
109.10122	1.6
111.04398	2.4
111.08041	1.7
115.05409	3.3
117.07007	4.8
119.04937	5.9
119.08553	3.7
120.05682	3.0
120.63711	0.9
121.02862	1.2
121.06477	19.5
121.10139	2.3
122.03635	1.4
123.04390	7.0
123.08000	1.4
124.05184	3.4
125.05975	3.5
127.64811	0.8
128.06187	8.1
129.06982	22.9
131.04890	8.0
131.08537	9.9
133.02821	2.1
133.06396	4.0
133.10106	1.3
135.04384	3.0
135.08003	6.2
135.11671	1.1
136.05159	1.4
137.05948	15.9
138.03159	1.3
138.06725	2.1
139.07526	1.3
140.04594	1.0
141.06958	0.9
143.04901	2.1
143.08519	1.7
144.05641	2.0
145.06436	5.7
145.10081	1.1
146.03593	1.8
146.07224	2.3
147.04395	4.9
147.05356	0.8
147.07976	2.3
147.11610	0.8
148.05142	3.7
149.02274	0.9
149.05923	5.8
149.09596	1.3
150.06667	1.5
151.03896	5.0
151.07516	20.4
151.08655	1.5
152.04631	3.6
152.06218	1.3
152.07748	1.4
153.05437	13.9
153.06757	1.3
153.09151	0.8
154.07658	0.9
155.07022	2.9
155.08435	1.1
157.06456	18.3
158.07237	2.2
159.08002	3.0
160.05154	1.4
161.05948	27.8
161.09566	7.5
161.13181	0.9
162.06514	1.0
163.07520	19.3
165.05586	2.0
165.06969	8.0
165.09053	8.0
166.06250	9.9
166.07658	2.0
167.07024	66.6
167.08484	6.5
168.07382	1.9
169.06447	0.9
169.10123	1.1
171.08040	1.8
173.05923	1.1
174.06734	11.1
174.75099	0.9
174.96944	1.4
175.07509	9.5
176.08238	1.0
177.05350	0.9
177.06923	1.4
177.09084	9.4
178.07697	2.3
179.07004	3.7
179.08524	5.3
180.05658	1.4
180.09280	2.0
181.05028	2.1
181.06580	3.3
181.08559	100.0
182.07222	6.2
182.08910	4.0
183.07982	3.0
187.07449	1.9
188.08209	1.5
189.09071	71.9
190.07796	1.8
190.09401	3.1
191.06995	1.2
191.08546	3.4
191.10619	2.9
193.06433	3.9
193.08476	1.9
193.10114	1.1
194.07254	4.0
195.08005	12.3
196.08636	2.0
197.05919	2.4
197.09575	8.9
199.07492	2.9
203.10567	2.3
205.06491	1.2
207.08020	4.7
207.10141	14.0
208.05148	1.1
208.08751	3.5
209.05930	2.4
209.09610	1.7
210.06723	5.0
211.07367	4.7
211.11134	1.0
212.04640	0.9
212.08231	2.0
214.09631	0.9
215.10522	1.1
218.07191	1.0
219.08008	4.8
219.09917	0.8
221.05984	4.9
221.09618	1.5
221.11673	0.9
222.06731	3.8
222.10023	1.1
223.07494	7.9
223.10997	4.2
224.08199	2.1
225.05464	2.1
225.09061	15.3
226.06270	1.0
226.09486	1.2
227.06918	5.4
227.10495	1.3
229.12263	3.0
235.07610	3.8
236.04657	1.3
236.08398	3.9
237.09053	3.3
238.06136	1.5
239.06944	4.5
239.10522	3.9
240.07759	5.4
241.08554	3.4
242.09236	2.7
247.07442	3.3
249.09044	1.2
250.09750	1.5
251.07065	4.7
251.10645	7.1
252.07587	2.0
252.11447	1.3
253.08563	12.4
254.09070	2.9
255.06441	3.2
255.10080	5.7
256.07092	1.4
256.10223	0.9
257.08069	2.2
257.11673	15.6
258.12128	1.1
261.08920	0.8
264.07816	1.7
265.08551	2.4
267.06534	2.0
267.10019	3.3
268.07184	1.9
268.10791	1.2
269.07837	2.5
270.08713	4.1
271.09314	1.6
271.13272	2.9
278.09067	0.8
279.10150	6.2
281.07971	2.4
281.11356	0.9
283.09586	9.9
283.13168	9.1
284.10132	2.0
285.07736	1.8
285.11139	37.6
286.11560	2.9
289.14288	1.1
295.09622	1.0
296.10153	1.5
297.11121	3.7
299.08902	3.1
299.12665	5.1
300.09451	1.7
301.14023	1.4
302.11249	3.7
311.12772	8.1
313.10648	1.3
314.11331	1.0
315.12082	20.9
315.15268	1.2
317.13760	30.7
318.13998	1.8
328.12622	1.6
329.13455	6.0
331.15237	5.3
343.15289	15.7
344.15540	1.4
361.16281	20.1
362.15823	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	361.1639
Annotation	Lariciresinol
Peak:m/z	Relative Intensity
51.82777	1.6
53.03931	3.9
55.01841	1.6
62.19322	1.7
65.03925	1.7
67.05463	2.0
69.03404	1.9
69.07058	1.9
70.04174	8.3
71.04955	1.9
72.95987	1.5
78.04673	2.6
79.05474	10.9
81.07060	5.2
83.04955	2.4
91.05466	22.5
93.07032	15.5
95.04957	8.0
95.08576	4.3
97.06478	1.7
99.04417	2.1
100.67288	1.5
103.05444	11.0
105.03407	1.8
105.07018	11.3
107.04939	34.4
109.06487	4.4
109.10137	1.8
111.04401	3.7
115.05426	4.8
116.06084	1.5
117.06981	5.5
119.04922	5.8
119.08559	3.6
120.05685	3.5
121.05669	1.8
121.06491	21.3
123.04427	8.2
124.05191	4.2
125.05989	3.5
125.55165	1.5
125.56282	1.6
128.06184	8.6
129.06998	28.2
131.04892	8.8
131.08556	13.4
133.02792	2.5
133.06480	4.6
135.04373	4.0
135.08041	7.2
137.05960	22.8
139.07510	1.9
140.04675	2.2
141.06841	1.9
141.29771	1.9
145.06474	6.7
146.07149	3.4
147.04381	6.5
147.08044	2.5
148.05164	3.8
149.05956	8.1
151.03899	3.9
151.07520	22.7
152.04649	2.6
153.05452	12.5
153.06517	2.2
157.06451	23.5
157.74837	1.8
158.07054	1.9
159.08011	2.8
161.05965	34.1
161.09566	11.7
163.07512	17.0
165.05620	2.0
165.06973	7.6
165.09094	12.2
166.06224	11.4
166.07684	4.1
167.07016	85.3
167.08504	5.8
168.07335	1.8
169.06410	1.8
169.10103	2.0
171.07970	2.1
173.06039	1.7
174.06747	12.7
175.07535	9.3
177.06950	2.3
177.09053	10.1
178.07732	2.3
179.06969	6.8
179.08545	8.5
179.10587	2.2
181.05124	3.0
181.08562	100.0
182.07239	8.3
182.08838	3.7
183.08014	3.7
187.07449	2.1
189.09071	80.3
190.07751	2.0
190.09419	4.6
191.08592	3.6
191.10638	4.7
193.06546	3.7
193.08553	3.0
194.07191	5.6
195.08080	10.9
195.09712	2.4
197.09558	8.7
199.07620	4.1
203.10664	1.8
205.06540	2.4
206.07272	2.4
207.08125	4.1
207.10124	23.5
208.08740	2.7
209.09521	3.0
210.06703	5.8
210.09935	1.8
211.07460	5.0
212.08246	3.2
213.09048	2.0
218.07211	1.8
219.08022	6.1
219.10002	2.5
221.05965	4.9
222.06564	1.6
223.07478	6.5
223.11101	4.4
224.08315	2.6
225.05498	3.7
225.09079	19.4
227.06973	7.6
235.07516	1.7
236.08241	5.6
237.08998	3.8
239.07054	3.5
239.10669	2.5
240.07663	6.1
241.08473	3.4
247.07538	3.0
251.06931	4.2
251.10625	6.1
253.08560	16.8
254.09232	3.9
255.06448	3.6
255.09988	3.9
257.08047	2.0
257.08942	2.1
257.11618	16.9
265.08490	2.9
267.10178	3.3
268.07083	3.8
268.10748	1.8
269.08112	4.4
270.08691	3.6
271.13153	2.9
279.10001	6.5
282.09155	2.1
283.09619	11.0
283.13245	9.6
285.07922	1.2
285.11154	38.3
286.11652	2.3
297.11111	3.2
299.09229	2.6
299.12711	4.8
300.13312	2.0
302.11270	4.9
311.12747	9.5
313.10666	1.9
314.11295	2.2
315.12189	26.6
315.15500	3.3
317.13776	30.8
329.13434	4.9
331.15436	4.0
343.15320	17.5
361.16217	24.9
361.23346	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	361.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95980	1.1
50.99523	1.1
53.03929	2.6
55.01852	3.5
55.05498	1.7
61.92467	1.3
65.03925	2.1
67.05467	1.2
69.03399	2.2
69.07047	2.7
69.51665	7.1
71.04971	1.2
76.10950	1.2
78.04687	1.4
79.05478	11.2
81.07037	6.6
83.04942	1.4
85.02879	1.3
85.06503	3.2
91.05469	22.3
93.07019	14.2
95.04948	8.3
95.08580	2.0
97.06515	1.4
103.05450	11.5
105.03453	1.6
105.04350	1.4
105.07019	13.3
106.04136	1.5
106.07359	1.3
107.04935	32.3
107.08559	2.6
109.06487	3.5
109.10146	2.1
111.04420	2.3
115.05427	4.5
117.06985	4.6
119.04923	6.7
119.08517	3.0
120.05695	3.4
121.02836	1.3
121.06483	14.7
122.03605	1.7
123.04414	7.1
123.07977	1.9
123.11706	2.0
124.05180	5.3
125.05956	3.7
125.09583	1.9
127.03920	1.9
128.06180	7.7
129.06981	25.8
131.04903	9.0
131.08551	11.7
133.02832	2.5
133.06470	3.7
134.03578	1.5
135.04427	2.4
135.07999	8.0
137.04988	2.2
137.05956	21.6
138.03185	1.5
140.04648	1.8
145.06406	5.4
146.03665	1.7
146.07219	2.7
147.04388	3.4
147.07968	2.6
148.05148	4.7
149.05966	9.0
149.09544	1.5
151.03867	4.4
151.07503	19.9
152.04678	3.4
152.06157	1.7
153.05453	13.0
153.06671	1.8
155.07022	2.5
156.05693	1.6
157.06454	19.5
159.08060	2.0
160.05243	2.0
161.05951	33.6
161.09578	9.2
162.06480	1.9
163.07521	19.7
165.05624	2.2
165.06964	6.5
165.09094	10.7
166.06267	8.5
166.07587	2.4
167.07021	70.2
167.08447	3.7
168.07285	2.3
169.06573	1.3
173.05963	2.2
174.06766	10.2
175.07567	7.2
177.06926	1.7
177.09116	9.2
178.07701	1.3
179.07002	3.9
179.08521	4.9
180.07710	1.4
181.05103	1.9
181.08557	100.0
182.07225	6.0
182.08774	2.2
183.07962	1.8
187.07545	2.0
189.09068	75.5
190.07751	2.5
190.09372	2.3
191.06950	1.8
191.08508	3.1
191.10558	1.7
193.06584	2.7
193.08490	2.9
194.07210	3.4
195.08012	12.2
196.08655	1.3
197.05971	2.5
197.09584	8.5
199.07492	1.5
203.10617	2.3
207.08020	3.5
207.10123	15.1
208.08748	3.4
209.06003	2.8
209.09546	2.4
210.06738	4.9
211.07460	5.1
212.08223	3.0
213.08971	2.3
219.08083	5.9
219.10004	2.3
221.06033	6.2
221.09540	1.5
222.06770	3.8
223.07507	8.2
223.11139	3.9
224.08220	2.5
225.05540	2.6
225.09033	20.0
226.06183	2.0
226.09634	1.8
227.06934	6.4
227.10376	1.3
229.12172	3.2
235.07436	3.2
236.08286	3.7
237.08981	1.5
239.06970	4.1
239.10568	2.5
240.07768	4.2
241.08490	2.8
242.09315	3.6
247.07378	3.0
249.09045	1.5
251.07018	4.3
251.10657	6.6
253.08498	13.8
254.09346	3.3
255.06566	3.2
255.10120	5.6
257.09021	2.2
257.11649	18.3
259.09680	1.7
264.07864	1.3
265.08633	2.8
267.10098	1.7
268.07196	2.5
269.08231	2.7
270.08743	4.6
271.13211	2.8
279.10043	6.6
281.08014	2.3
282.08777	1.4
283.09641	11.1
283.13248	8.2
284.10184	2.1
284.13470	1.4
285.07983	1.8
285.11145	35.0
286.11432	2.8
287.09473	1.5
296.10278	2.8
297.11081	3.3
299.09067	3.4
299.12686	4.1
300.09851	1.5
301.11621	2.0
302.11447	5.1
311.12747	9.4
315.12204	18.7
317.13763	26.6
318.14490	1.3
329.11188	6.0
329.14078	3.6
330.14371	1.2
331.15225	5.1
343.15384	13.8
361.16656	15.4
362.16541	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	361.1639
Annotation	(8R,8'R,9R)-4,4',9-trihydroxy-3,3'-dimethoxy-9,9'-epoxylignan
Peak:m/z	Relative Intensity
50.53971	2.3
53.03935	2.6
55.01853	5.1
55.03254	2.5
55.05489	3.7
55.65449	2.4
65.03914	3.5
67.05482	9.7
69.03413	5.1
69.07042	5.1
70.06599	10.5
71.04977	3.4
71.53468	3.9
72.08147	4.5
74.06084	2.1
74.61556	1.9
76.31111	2.0
77.03925	2.2
77.55526	2.3
78.22130	1.9
79.05484	15.8
81.03406	4.6
81.07037	12.5
83.04941	2.5
84.04482	3.9
84.08109	7.4
85.02885	6.5
85.06490	2.4
86.06013	1.9
86.09691	11.0
88.03979	2.8
91.05464	39.4
93.07025	15.4
94.04134	2.8
95.04932	12.7
95.08604	3.9
97.02972	2.1
97.06509	2.5
103.05457	16.1
105.07030	28.5
106.04182	2.2
107.04931	48.4
107.08563	5.4
109.06489	6.0
109.10130	4.0
110.07150	4.4
111.04430	2.3
115.05421	7.0
117.07000	7.3
119.04913	14.1
119.08549	5.8
120.05705	3.5
120.08103	2.1
121.02699	2.1
121.06484	19.5
121.10109	3.2
122.03640	6.3
122.05984	5.4
123.04391	9.0
123.08015	3.0
123.11661	3.7
124.05181	3.1
124.07590	3.9
125.05949	3.8
128.06204	7.3
129.06975	28.1
131.04913	12.5
131.08551	11.1
133.02832	2.9
133.06442	7.1
133.10092	2.8
135.04385	4.6
135.08018	10.5
136.05159	5.2
136.07462	10.3
137.05946	79.3
138.06357	3.5
139.07536	2.3
140.07004	7.8
142.08652	5.7
143.08502	3.7
145.06413	11.0
146.06061	2.9
146.07196	4.5
147.04332	10.8
147.07994	3.6
148.05185	7.1
149.05952	12.7
149.09586	3.1
151.03860	7.1
151.07510	53.3
151.11128	2.7
152.04623	3.3
153.05431	18.7
153.06723	2.6
155.07030	2.9
157.06483	14.9
158.07106	3.5
159.04350	2.4
159.08012	6.3
160.03899	2.9
161.04628	4.3
161.05952	81.8
161.09561	17.9
162.06543	3.0
163.03856	2.4
163.07513	41.6
164.06960	4.9
165.05472	6.5
165.06964	8.9
165.09109	10.3
166.04962	3.3
166.06210	6.9
166.07561	2.4
167.07039	59.3
167.08530	7.6
168.07347	3.3
174.06787	12.1
175.07495	12.5
177.09088	14.3
179.07022	11.1
179.08485	3.9
180.07819	8.7
181.05005	6.0
181.06822	3.9
181.08569	83.8
181.10159	5.7
182.07266	4.7
182.08916	2.9
183.07985	4.3
186.12733	6.0
188.03358	11.6
189.09062	100.0
190.09396	5.0
191.03284	4.4
191.06897	3.5
191.08519	4.4
191.10597	2.2
193.06369	4.8
194.07172	5.2
195.08148	11.2
195.09801	3.5
197.09607	6.2
203.10757	2.7
206.04427	5.0
207.08215	2.4
207.10107	48.1
208.08800	5.1
209.09540	4.3
210.06723	5.5
211.07515	5.0
219.07994	4.7
220.06058	4.6
221.05930	6.1
223.07553	8.5
224.08272	3.6
225.05496	3.0
225.09033	13.7
227.07132	5.3
227.10677	9.4
229.12169	3.3
233.09595	3.1
236.08282	4.4
237.08968	3.0
238.06111	3.4
239.06909	6.2
239.10709	3.0
240.07675	5.1
242.09363	3.6
247.07355	2.4
251.07065	4.7
251.10417	5.2
253.08589	16.0
253.12244	4.6
255.06439	4.9
255.10107	14.0
257.11722	15.0
265.08304	2.9
267.10062	3.9
269.08032	2.9
270.08722	5.0
271.09402	2.5
271.13431	4.0
279.09973	4.5
281.11661	4.5
283.09616	10.2
283.13245	9.4
285.11121	39.1
287.12625	25.3
297.11258	4.7
299.12775	6.8
302.11520	3.1
311.12830	8.9
313.10986	3.0
313.14099	12.3
315.12347	16.8
316.12241	3.0
317.13745	21.1
329.11197	9.4
331.15295	15.8
343.15482	16.1
361.16885	11.0
362.15894	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	361.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95980	1.1
50.99523	1.1
53.03929	2.6
55.01852	3.5
55.05498	1.7
61.92467	1.3
65.03925	2.1
67.05467	1.2
69.03399	2.2
69.07047	2.7
69.51665	7.1
71.04971	1.2
76.10950	1.2
78.04687	1.4
79.05478	11.2
81.07037	6.6
83.04942	1.4
85.02879	1.3
85.06503	3.2
91.05469	22.3
93.07019	14.2
95.04948	8.3
95.08580	2.0
97.06515	1.4
103.05450	11.5
105.03453	1.6
105.04350	1.4
105.07019	13.3
106.04136	1.5
106.07359	1.3
107.04935	32.3
107.08559	2.6
109.06487	3.5
109.10146	2.1
111.04420	2.3
115.05427	4.5
117.06985	4.6
119.04923	6.7
119.08517	3.0
120.05695	3.4
121.02836	1.3
121.06483	14.7
122.03605	1.7
123.04414	7.1
123.07977	1.9
123.11706	2.0
124.05180	5.3
125.05956	3.7
125.09583	1.9
127.03920	1.9
128.06180	7.7
129.06981	25.8
131.04903	9.0
131.08551	11.7
133.02832	2.5
133.06470	3.7
134.03578	1.5
135.04427	2.4
135.07999	8.0
137.04988	2.2
137.05956	21.6
138.03185	1.5
140.04648	1.8
145.06406	5.4
146.03665	1.7
146.07219	2.7
147.04388	3.4
147.07968	2.6
148.05148	4.7
149.05966	9.0
149.09544	1.5
151.03867	4.4
151.07503	19.9
152.04678	3.4
152.06157	1.7
153.05453	13.0
153.06671	1.8
155.07022	2.5
156.05693	1.6
157.06454	19.5
159.08060	2.0
160.05243	2.0
161.05951	33.6
161.09578	9.2
162.06480	1.9
163.07521	19.7
165.05624	2.2
165.06964	6.5
165.09094	10.7
166.06267	8.5
166.07587	2.4
167.07021	70.2
167.08447	3.7
168.07285	2.3
169.06573	1.3
173.05963	2.2
174.06766	10.2
175.07567	7.2
177.06926	1.7
177.09116	9.2
178.07701	1.3
179.07002	3.9
179.08521	4.9
180.07710	1.4
181.05103	1.9
181.08557	100.0
182.07225	6.0
182.08774	2.2
183.07962	1.8
187.07545	2.0
189.09068	75.5
190.07751	2.5
190.09372	2.3
191.06950	1.8
191.08508	3.1
191.10558	1.7
193.06584	2.7
193.08490	2.9
194.07210	3.4
195.08012	12.2
196.08655	1.3
197.05971	2.5
197.09584	8.5
199.07492	1.5
203.10617	2.3
207.08020	3.5
207.10123	15.1
208.08748	3.4
209.06003	2.8
209.09546	2.4
210.06738	4.9
211.07460	5.1
212.08223	3.0
213.08971	2.3
219.08083	5.9
219.10004	2.3
221.06033	6.2
221.09540	1.5
222.06770	3.8
223.07507	8.2
223.11139	3.9
224.08220	2.5
225.05540	2.6
225.09033	20.0
226.06183	2.0
226.09634	1.8
227.06934	6.4
227.10376	1.3
229.12172	3.2
235.07436	3.2
236.08286	3.7
237.08981	1.5
239.06970	4.1
239.10568	2.5
240.07768	4.2
241.08490	2.8
242.09315	3.6
247.07378	3.0
249.09045	1.5
251.07018	4.3
251.10657	6.6
253.08498	13.8
254.09346	3.3
255.06566	3.2
255.10120	5.6
257.09021	2.2
257.11649	18.3
259.09680	1.7
264.07864	1.3
265.08633	2.8
267.10098	1.7
268.07196	2.5
269.08231	2.7
270.08743	4.6
271.13211	2.8
279.10043	6.6
281.08014	2.3
282.08777	1.4
283.09641	11.1
283.13248	8.2
284.10184	2.1
284.13470	1.4
285.07983	1.8
285.11145	35.0
286.11432	2.8
287.09473	1.5
296.10278	2.8
297.11081	3.3
299.09067	3.4
299.12686	4.1
300.09851	1.5
301.11621	2.0
302.11447	5.1
311.12747	9.4
315.12204	18.7
317.13763	26.6
318.14490	1.3
329.11188	6.0
329.14078	3.6
330.14371	1.2
331.15225	5.1
343.15384	13.8
361.16656	15.4
362.16541	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	361.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78917	0.9
53.03918	2.7
55.01859	3.4
55.05504	5.8
56.05019	1.7
57.03416	1.9
58.06572	1.4
58.99569	1.0
60.04504	3.5
61.02908	2.4
62.03082	0.9
67.05489	3.9
68.29844	0.9
69.03419	9.2
69.07059	2.2
69.78076	1.9
69.78482	4.7
70.02965	0.9
70.06586	13.5
71.04979	2.8
71.06897	1.0
72.08142	9.0
73.06548	4.7
74.09717	1.4
76.02206	4.7
79.05477	12.2
80.45239	0.9
81.03406	6.1
81.07037	5.2
82.07370	0.9
83.04953	2.8
83.06075	1.6
84.04503	6.8
84.08141	8.3
85.02889	14.2
86.00629	1.8
86.03245	1.7
86.09687	13.3
86.99024	1.5
87.00809	1.0
87.05666	0.9
87.10032	1.9
88.02201	4.5
88.03973	2.5
88.10420	0.9
89.00594	1.0
91.05473	14.2
92.05806	1.1
93.07031	20.6
95.04944	7.9
95.08571	2.8
96.04510	1.5
96.05223	0.8
97.02900	4.6
97.06525	2.8
98.06045	0.9
98.20853	1.3
99.04440	4.1
99.29386	0.9
101.06008	6.6
101.07172	1.0
102.05540	1.7
103.03925	1.3
103.05454	4.1
105.00094	2.2
105.03383	4.4
105.07027	4.5
107.04955	7.2
107.08561	3.2
109.02846	5.3
109.06506	3.2
109.10088	0.9
110.06063	1.5
110.07142	2.7
111.02666	1.0
111.04409	2.6
111.08056	1.8
116.07072	2.9
117.03376	1.3
117.06940	4.6
118.06600	1.2
119.04932	4.1
119.07260	2.4
119.08583	3.0
120.06614	1.3
120.08107	3.2
121.06487	27.4
121.10188	1.5
122.02692	20.8
122.06808	1.5
123.04406	2.9
123.08071	8.5
124.07574	2.1
125.02365	1.2
125.05972	2.9
126.05469	1.5
127.03915	11.4
127.07561	1.3
128.04277	1.3
129.01857	1.1
129.10228	3.9
130.06557	1.2
130.08630	1.7
131.04897	6.4
131.08553	10.4
132.01065	1.3
133.02849	1.6
133.10150	2.3
134.02699	1.6
135.04381	2.2
135.08031	3.3
136.07564	2.5
137.05957	24.5
137.09669	1.6
138.06319	1.3
139.03867	1.4
139.07504	15.9
140.04631	1.4
141.06970	1.2
144.06606	2.0
145.02803	1.4
145.04924	2.3
145.06456	3.2
147.04391	5.9
147.08034	1.9
149.05965	13.7
149.09599	2.6
151.03867	2.9
151.07549	3.4
153.05472	5.1
153.06912	3.0
153.09019	2.4
154.04950	1.3
155.08473	1.3
156.07697	1.4
159.08018	6.4
161.05962	1.9
161.09389	3.6
162.05531	1.2
163.03931	1.8
163.07532	9.7
163.11182	1.1
165.05469	13.0
165.06987	8.6
165.09094	9.0
166.05852	11.3
167.07016	100.0
168.01427	1.5
168.07384	4.1
169.02618	1.3
169.06438	1.1
172.03893	2.6
175.07494	2.9
176.11470	1.0
177.05460	3.5
177.09076	14.7
178.09401	2.5
179.08379	1.1
181.04863	2.1
181.06392	2.1
181.08620	4.2
181.12199	1.5
182.05231	1.7
183.07993	5.4
185.06087	0.9
185.08054	2.4
187.07483	4.6
189.08882	1.6
193.06482	1.9
193.08630	1.1
195.06480	4.3
199.09665	32.8
199.11513	2.0
199.18100	1.5
200.12791	1.7
204.06471	7.0
205.06572	1.3
205.08574	3.4
207.04388	2.8
207.08189	1.5
210.06696	1.8
211.07504	10.2
212.08113	1.3
221.05928	2.2
221.11682	6.0
222.12029	10.1
223.07532	1.9
223.09610	2.5
224.07753	1.1
225.09109	1.9
235.07550	2.8
237.09077	3.9
237.11247	1.7
239.07021	2.9
241.08598	1.2
255.10172	1.9
259.11743	4.1
265.08505	2.9
271.09616	30.1
272.10339	13.3
273.10986	1.3
297.11169	10.7
299.08847	1.6
306.66736	1.0
315.12039	3.2
316.11725	2.1
325.11215	1.0
343.13770	1.9
344.11893	2.2
361.14273	4.9
362.12411	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	361.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05473	1.1
56.05025	1.5
60.04514	1.5
62.81120	0.9
70.06576	5.5
70.77950	1.8
70.78329	2.4
72.08143	1.7
81.03384	0.9
83.20058	0.9
84.04486	1.4
84.08119	4.3
85.02850	1.2
86.06053	5.9
86.09682	3.9
87.17667	0.9
91.05488	1.3
101.05972	1.2
110.07177	1.6
115.34214	0.9
129.10202	1.8
130.08606	1.7
136.07413	1.2
141.67923	0.9
146.08144	1.0
147.04362	1.9
153.10184	1.1
155.08568	1.5
163.03902	1.1
163.13733	0.9
165.06979	7.2
166.82349	1.1
169.06511	2.6
172.04620	0.8
178.07779	3.5
179.08537	17.1
181.06444	1.8
181.09915	1.2
183.08017	25.0
189.07111	2.7
190.07721	1.3
191.08603	3.3
193.04999	1.0
193.06233	4.7
194.07304	3.2
195.08008	2.9
197.05989	2.9
199.10805	2.6
206.07265	1.0
207.08011	52.5
208.08354	2.0
209.09621	4.0
210.07347	0.9
210.09146	6.6
211.07521	15.7
211.23373	1.1
217.06471	5.5
219.08049	3.0
221.05864	9.0
222.06618	1.2
223.07532	2.7
225.09053	1.8
229.11847	2.2
234.06921	1.3
234.09163	3.2
235.07494	100.0
236.07939	3.7
236.10562	2.0
237.09090	8.9
238.08603	3.5
239.06981	64.5
246.25154	1.0
252.10147	71.7
253.08482	2.4
253.10680	2.8
262.08652	1.5
263.06931	10.6
267.06476	2.1
280.09683	11.2
281.08014	47.6
282.08337	1.7
282.11243	1.4
284.09177	7.4
287.42328	1.1
297.12277	40.5
297.15686	2.1
298.10645	69.2
299.11133	1.1
315.13348	15.0
317.16635	2.2
326.10184	12.7
343.12827	78.5
344.10867	5.8
360.67981	1.1
361.09543	2.0
361.13947	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	10.6
55.01859	12.8
55.05502	69.3
57.03419	7.5
57.07035	8.3
59.04987	33.8
65.03940	5.6
67.05495	100.0
69.03414	17.2
69.07056	93.7
71.04975	90.1
71.51994	9.1
73.02921	10.4
79.05478	92.8
81.03409	13.4
81.07037	60.5
83.04955	17.1
83.08607	39.1
85.02888	21.5
85.06547	9.9
88.03973	7.1
91.05460	32.0
93.07018	73.2
95.04948	26.7
95.08589	40.2
97.02879	10.3
97.06513	53.3
97.10159	64.0
101.63503	5.9
105.07025	39.8
107.04942	17.0
107.08578	71.1
109.06474	15.9
109.10142	57.4
115.07551	19.0
117.07031	9.2
118.51411	6.7
119.08559	28.5
119.57604	5.2
121.06461	16.6
121.09327	7.1
121.10132	77.4
123.08089	7.7
123.11647	10.4
125.09615	54.4
129.06969	8.3
131.08545	11.7
133.10104	21.2
135.08072	7.0
137.09541	9.3
138.20601	5.4
145.04948	8.9
145.10075	8.8
147.11658	16.4
149.09654	7.2
149.13309	6.9
151.07431	6.1
153.12715	68.3
155.10646	8.3
159.11664	8.2
161.13278	9.2
167.06816	5.5
173.11700	88.8
177.12576	6.3
189.09486	8.6
189.11168	59.1
223.13232	8.9
237.03275	6.9
237.14772	9.4
257.18967	5.7
275.20001	77.3
360.14890	8.1
361.30569	8.4
371.08438	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	360.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	10.6
55.01859	12.8
55.05502	69.3
57.03419	7.5
57.07035	8.3
59.04987	33.8
65.03940	5.6
67.05495	100.0
69.03414	17.2
69.07056	93.7
71.04975	90.1
71.51994	9.1
73.02921	10.4
79.05478	92.8
81.03409	13.4
81.07037	60.5
83.04955	17.1
83.08607	39.1
85.02888	21.5
85.06547	9.9
88.03973	7.1
91.05460	32.0
93.07018	73.2
95.04948	26.7
95.08589	40.2
97.02879	10.3
97.06513	53.3
97.10159	64.0
101.63503	5.9
105.07025	39.8
107.04942	17.0
107.08578	71.1
109.06474	15.9
109.10142	57.4
115.07551	19.0
117.07031	9.2
118.51411	6.7
119.08559	28.5
119.57604	5.2
121.06461	16.6
121.09327	7.1
121.10132	77.4
123.08089	7.7
123.11647	10.4
125.09615	54.4
129.06969	8.3
131.08545	11.7
133.10104	21.2
135.08072	7.0
137.09541	9.3
138.20601	5.4
145.04948	8.9
145.10075	8.8
147.11658	16.4
149.09654	7.2
149.13309	6.9
151.07431	6.1
153.12715	68.3
155.10646	8.3
159.11664	8.2
161.13278	9.2
167.06816	5.5
173.11700	88.8
177.12576	6.3
189.09486	8.6
189.11168	59.1
223.13232	8.9
237.03275	6.9
237.14772	9.4
257.18967	5.7
275.20001	77.3
360.14890	8.1
361.30569	8.4
371.08438	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	360.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	0.8
53.80642	0.6
55.01856	2.4
55.05496	2.0
56.05029	1.1
57.03417	1.0
58.99558	2.2
59.09302	0.6
60.04512	1.3
61.02895	1.8
62.16414	0.6
65.03924	1.1
67.05489	1.3
69.03418	6.7
69.07046	2.7
69.50021	2.7
69.50452	2.0
70.02929	0.9
70.06575	6.1
71.04957	1.2
72.08141	7.1
73.02896	1.0
73.08441	1.1
76.02218	3.5
79.05484	4.0
81.03403	2.2
81.07045	10.0
83.04967	4.7
84.04491	1.4
84.08126	6.5
84.60861	0.6
85.02890	18.4
86.00641	6.1
86.09687	29.4
86.99009	1.1
87.10022	4.8
88.02188	1.1
88.03974	2.5
91.05450	5.6
93.03411	0.9
93.07030	6.5
95.04955	3.2
95.08568	1.6
97.02877	7.4
97.06499	2.1
99.04399	1.5
103.05437	1.4
105.00068	2.8
105.03333	0.9
105.06995	2.8
107.04936	2.6
107.08573	2.7
109.02850	1.9
109.06490	4.7
109.10133	1.1
110.07116	1.7
111.02626	2.2
111.04417	4.0
112.11221	1.6
113.06031	0.8
116.07067	2.7
117.00052	6.4
117.06976	1.3
119.04935	3.6
119.05707	0.7
119.08527	2.1
120.08069	2.3
121.06493	4.2
121.10068	1.1
122.02695	16.6
123.04433	0.9
123.08058	1.0
124.02151	1.2
125.04158	0.9
125.09648	1.7
127.03893	5.6
129.07010	0.9
129.10234	1.5
131.04886	2.5
131.08543	1.0
132.01115	12.8
133.06335	1.2
133.10110	1.5
135.04396	7.7
135.08054	1.0
135.11659	2.8
136.07515	0.8
137.05959	8.3
137.09596	1.5
139.03873	11.0
141.07123	0.7
142.07837	0.9
143.08519	1.1
145.02843	0.7
145.04924	7.1
145.06425	1.5
145.10086	2.8
147.04391	3.6
147.08012	1.8
147.11642	1.5
149.05960	1.1
149.09602	1.1
151.07532	1.7
152.67770	0.6
153.03680	1.4
153.06903	0.8
154.04967	0.9
155.07095	1.0
155.08409	0.7
157.10139	1.2
160.08742	0.9
161.05945	1.1
161.09578	2.4
162.10371	0.9
163.03896	3.4
163.05980	1.6
163.07321	1.2
163.11147	2.4
165.05449	100.0
166.05835	1.9
167.07002	2.7
171.04662	0.9
171.08003	0.9
175.07498	3.4
175.11122	7.7
176.07962	0.7
177.05469	1.3
177.09074	16.6
179.03355	1.2
180.08640	2.8
181.04918	16.0
181.06520	1.1
183.06502	0.7
183.08159	0.8
185.12871	1.0
186.18633	1.0
193.12206	2.8
198.07661	1.3
199.18053	7.2
200.18372	2.0
203.10605	4.3
207.07919	1.5
211.07463	1.7
217.06429	0.8
221.11682	70.1
222.12024	1.1
223.07484	5.7
227.17442	4.2
228.17796	1.2
235.07503	1.6
239.12631	1.5
251.07057	1.6
253.08791	2.6
271.09659	6.3
272.10300	0.8
297.07532	1.9
297.11206	1.5
313.14523	0.6
314.10257	1.8
319.79501	0.8
342.13651	3.9
343.12143	0.7
343.29407	0.7
360.10880	4.1
360.15073	4.7
360.32025	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	359.228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.4
55.05499	4.1
56.05024	0.8
57.02853	0.4
57.03430	0.7
57.03989	0.4
61.02906	0.5
67.05501	0.7
67.69129	0.3
69.03421	1.5
69.07054	5.7
69.45095	2.8
69.45507	0.7
70.06570	4.0
70.77817	0.4
71.04983	0.7
71.06908	0.7
72.08139	86.8
73.02921	0.8
73.08477	1.4
79.05469	1.2
81.03404	1.0
81.07033	1.2
83.04975	1.2
83.06058	0.5
84.04485	1.6
84.08138	3.0
85.02898	3.3
85.06532	0.7
86.06085	0.4
86.09686	100.0
87.05598	0.4
87.10026	1.7
88.03990	0.5
89.05989	0.7
91.05462	1.7
93.07014	1.4
95.04933	1.6
95.08560	1.0
97.02874	1.1
97.06502	0.5
99.04416	0.6
100.07598	0.6
103.03914	0.5
103.05420	1.1
105.07010	1.1
107.04924	0.9
107.08572	0.8
109.02832	1.0
109.06496	2.3
109.10105	0.5
111.04348	0.4
113.05982	1.3
115.05408	0.7
115.07664	0.4
116.07076	0.9
119.04898	0.9
119.08514	0.8
120.08031	0.5
121.06480	0.7
121.10101	0.5
122.02692	0.6
123.04373	0.8
123.07990	0.7
127.03911	2.0
127.07555	0.5
129.10194	1.0
131.04906	2.4
132.01146	0.5
133.02797	0.7
133.06174	1.0
135.08034	0.5
136.07532	0.4
137.02306	0.7
137.05945	4.1
138.09068	0.5
143.11768	17.5
145.04916	1.3
147.04344	1.3
147.07870	0.7
147.11287	0.8
149.05957	0.8
149.09546	0.5
151.07523	3.7
157.13336	23.6
158.13655	0.5
160.05144	0.7
161.05931	1.5
163.03900	0.9
163.07494	1.4
165.05392	1.7
165.09081	1.1
167.06982	1.2
171.11235	9.0
175.07564	2.7
175.10744	44.1
176.10983	0.9
177.05440	0.5
177.09013	1.0
179.03319	0.4
179.06931	0.9
179.10564	0.7
185.12817	39.3
186.13089	0.8
189.12337	3.2
191.06908	0.5
197.07974	0.8
197.11604	0.6
199.17973	2.0
203.77141	0.4
211.10716	0.5
221.11659	1.3
227.17436	1.5
239.17537	3.5
246.14455	5.5
265.08383	1.1
279.10046	1.0
282.12308	0.5
284.19577	6.7
285.11075	0.6
297.11108	0.6
299.12650	1.0
311.12555	0.5
315.12051	0.5
339.23575	0.5
341.02637	1.5
359.03442	1.4
359.07852	0.6
359.13943	0.8
359.18140	0.7
359.22577	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.5
53.13261	0.3
55.01846	1.0
55.05498	0.8
57.03412	1.2
61.02900	1.1
67.05478	1.2
69.03415	3.0
69.07041	1.3
70.02927	0.5
70.06587	1.4
70.97927	0.3
70.98310	0.9
71.04955	0.5
72.08135	0.7
73.02882	0.6
79.05470	1.6
81.03391	1.0
81.07042	2.4
83.04982	0.5
83.20780	0.3
84.04483	0.6
84.08128	0.7
85.02890	10.2
86.09690	11.7
87.04475	0.4
87.05560	0.9
91.05453	3.0
93.07026	5.4
95.04939	0.7
95.08614	1.5
95.85591	0.3
97.02876	2.1
97.06503	1.0
98.02409	0.6
99.04459	0.7
103.05444	0.5
105.07007	6.1
107.04945	0.5
107.08571	25.9
108.08876	0.8
109.02854	1.1
109.06484	1.4
109.10149	2.0
110.02413	0.4
111.08075	0.4
113.10715	0.5
117.07013	0.3
119.04896	0.5
119.08569	4.9
121.06480	1.2
121.10110	4.9
123.08049	0.7
123.11681	1.2
125.09621	0.8
127.03889	1.4
129.10236	0.4
131.04927	0.7
131.08524	1.0
132.10155	1.0
133.06438	0.5
133.10100	14.8
134.10399	0.5
135.08047	0.6
135.11671	0.9
137.05966	2.7
137.09541	0.6
138.09158	0.7
139.07516	1.6
141.10193	1.5
143.08600	0.8
143.11742	0.9
145.04945	1.3
145.06302	0.3
147.07950	0.3
149.09573	3.8
151.07529	1.7
151.11162	6.8
153.09082	0.4
155.11761	2.0
161.05893	0.4
161.09554	4.1
163.07481	0.5
163.11130	0.4
167.06999	1.1
167.10638	11.4
168.11000	0.4
171.06038	0.3
171.11342	0.6
175.07455	0.5
179.10635	13.1
180.10988	0.6
183.11258	1.9
184.06035	0.4
189.12344	0.4
197.11691	100.0
198.12009	4.1
200.13905	7.9
209.08006	0.6
228.13416	3.2
245.18600	0.8
246.72533	0.3
279.10114	0.4
313.10715	0.5
325.17456	0.6
354.53137	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1693
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
53.03926	0.5
55.01854	1.3
55.05500	0.5
57.03435	2.2
59.04976	0.9
61.02914	2.7
67.00896	0.4
67.05477	1.1
69.03417	5.3
69.07032	0.4
70.02230	1.9
70.06568	1.3
71.04969	1.3
72.70218	0.4
73.02889	1.2
79.05470	1.4
81.03401	2.7
81.07025	1.1
84.08128	0.4
85.02887	24.3
86.09685	1.1
87.04440	1.0
89.06010	1.5
91.03953	0.6
91.05454	3.9
93.07031	7.2
94.71826	0.4
95.04935	1.9
95.08578	0.9
97.02878	5.7
99.04421	1.3
105.07008	6.3
107.08571	19.4
109.02843	2.6
109.06493	1.6
109.10143	1.7
110.99592	0.4
117.06976	0.6
119.04939	0.7
119.06020	0.4
119.08549	2.0
121.06474	2.1
121.10155	0.4
123.04424	0.6
123.08002	0.5
123.11654	0.9
127.03883	4.7
130.01500	0.4
131.08556	0.9
133.09091	0.9
133.10100	18.0
134.10419	0.9
135.11665	19.9
136.12025	0.4
137.05940	1.4
137.09595	1.2
137.71687	0.4
142.85202	0.4
145.04904	2.7
146.07196	0.5
149.09607	2.0
151.11148	1.5
161.09589	9.1
163.06044	0.6
163.07463	0.4
167.07092	0.5
179.10637	33.6
180.10899	1.4
180.60367	0.4
191.03386	0.6
197.11691	100.0
198.12054	3.3
283.17377	0.6
284.17664	0.5
342.21878	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	0.9
53.24164	0.6
55.01844	2.5
55.05488	1.7
56.05003	0.6
57.03408	2.7
61.02897	2.7
65.03932	0.5
67.05496	2.8
69.03413	7.1
69.07043	2.3
69.34203	0.6
70.06581	4.7
71.04970	2.2
71.53203	0.9
72.08141	3.0
73.02904	1.1
75.30227	0.6
77.03905	0.6
79.05477	5.2
81.03397	3.5
81.07038	5.1
83.04951	1.8
84.04479	1.1
84.08125	3.0
85.02888	20.7
85.03989	0.6
85.06508	1.4
86.09689	10.7
86.56280	0.6
87.04441	1.9
88.02193	1.2
88.03969	1.1
91.05453	9.1
93.07017	7.8
94.06506	0.6
95.04958	3.8
95.08589	2.9
97.02884	5.4
97.06526	1.2
99.04419	2.0
100.07621	0.8
103.05476	3.4
105.03341	0.8
105.07014	11.1
107.04919	2.7
107.08571	32.8
108.08871	1.3
109.02848	2.6
109.06506	4.7
109.10149	2.9
110.07163	1.0
111.04430	0.9
111.08039	1.9
115.05415	1.5
117.06996	1.5
118.06528	0.7
119.04916	6.3
119.08562	5.0
120.08060	0.6
121.06474	3.4
121.10108	8.7
122.03631	1.6
123.08044	1.6
123.11664	2.7
124.07513	0.7
125.09619	1.0
127.03891	4.2
129.06989	1.1
129.10161	0.6
130.06546	1.1
131.04895	4.7
131.08556	1.5
133.02763	0.7
133.06433	2.4
133.10106	18.7
135.04372	1.6
135.08000	1.7
135.11673	1.8
136.07477	0.8
137.05948	24.8
137.09581	1.8
138.06349	0.8
139.07512	0.7
141.05452	0.7
143.04825	0.9
143.08463	0.6
145.04948	4.1
145.10039	1.1
146.03586	0.7
147.04352	4.0
147.07944	0.7
147.11652	0.8
149.02321	12.7
149.05968	3.2
149.09569	6.6
150.06744	0.8
151.03882	1.3
151.07524	4.7
151.11147	5.7
159.07973	0.8
160.05234	0.8
161.05945	7.4
161.09572	5.5
162.06685	2.4
163.03873	7.6
163.07495	2.5
163.11153	0.7
165.06885	1.1
165.09073	0.8
167.07060	2.9
167.10626	13.7
167.11913	1.1
175.07458	7.0
177.05441	1.1
179.06969	2.3
179.08638	1.5
179.10622	18.0
180.10965	0.8
181.04929	4.9
187.07475	3.9
189.12234	0.8
190.07758	1.0
191.06969	0.9
191.08563	2.3
193.06636	0.9
193.08528	1.4
194.07161	1.4
197.11694	100.0
198.12045	4.1
200.13907	1.8
205.06633	1.2
205.08556	4.0
207.08076	1.3
210.06664	0.7
217.08426	0.7
219.07907	3.5
222.06679	1.1
225.09116	0.8
228.13333	1.6
228.15549	0.6
231.08180	0.8
236.08131	1.1
237.08922	1.3
239.10605	1.3
247.07542	2.8
248.08186	1.4
249.08865	1.0
251.10600	2.4
253.08446	0.9
263.10562	0.7
264.07849	0.8
265.08514	3.2
267.10049	1.4
271.13538	0.8
277.08463	1.0
279.10086	5.4
280.10510	1.2
281.07907	0.6
285.10941	0.9
291.10101	1.0
295.09543	1.5
296.10089	0.7
297.11157	4.7
299.12686	2.3
309.11151	2.5
310.12036	1.5
311.12711	6.6
329.13779	1.4
341.10098	1.2
341.13760	3.8
359.14868	1.4
359.17645	0.5
360.18634	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1696
Annotation	Loliolide beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03932	1.7
55.01869	4.3
55.05496	1.9
56.05013	2.1
57.03414	2.1
58.06591	0.8
59.04965	0.8
61.02905	3.0
64.47937	0.8
67.05476	2.7
67.45529	0.7
69.03423	9.5
69.07058	1.2
70.06585	17.0
70.16141	3.7
71.04980	1.2
72.08147	12.2
73.02898	2.0
79.05476	3.9
81.03406	5.5
81.07034	2.5
84.04469	3.2
84.08124	5.1
85.02897	33.0
86.09696	5.9
87.04442	1.7
88.02218	1.2
91.03931	2.4
91.05463	6.7
93.07032	8.2
95.04941	2.2
95.08598	3.4
97.02890	9.8
97.06490	1.0
98.09663	1.8
98.21524	1.0
99.04430	2.5
100.07561	1.5
105.07013	7.1
107.04922	0.9
107.08581	54.8
109.02851	3.5
109.06489	4.0
109.10146	7.7
112.08711	1.3
119.04932	1.0
119.08559	2.5
121.06493	2.6
121.10126	4.0
122.03634	0.8
125.05956	1.0
127.03908	8.2
129.10242	3.4
130.06516	2.1
131.04909	1.1
131.08533	1.2
132.08034	0.9
133.06479	1.0
133.10109	21.6
135.11664	10.2
137.05951	4.2
137.09595	6.8
142.08525	0.7
145.04936	9.1
145.38232	0.9
147.04343	0.9
147.08012	0.8
149.09589	10.8
151.07532	3.1
151.11214	3.5
153.05457	1.0
157.07672	0.8
159.09193	1.0
161.09595	6.3
163.03883	0.7
163.07394	0.8
167.06993	1.4
175.07521	1.4
179.07043	1.3
179.10646	21.4
180.11034	0.8
183.11328	0.9
189.09186	1.0
190.17467	1.1
197.11705	100.0
198.12051	3.8
219.10130	0.8
228.13509	1.1
231.17114	1.0
297.55930	0.8
358.67838	0.9
359.14807	2.3
360.14575	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	4.5
57.03430	2.4
59.04989	20.9
65.03914	3.5
67.05493	66.3
68.05819	1.9
69.07047	5.1
69.18172	18.6
70.06582	2.7
71.04981	11.3
72.08140	4.4
73.06541	3.8
73.62864	1.5
79.05471	6.9
81.07047	10.9
84.08121	1.6
85.06529	15.0
88.43185	1.7
89.05869	1.5
91.05465	4.7
93.07021	10.5
95.04950	100.0
95.08583	6.5
99.08075	26.6
105.07010	6.2
107.06499	1.6
107.08564	6.9
109.06490	18.4
109.10105	2.4
111.08041	2.5
112.11268	2.8
117.06991	2.7
119.08572	6.0
120.08103	17.1
121.06480	2.4
121.10124	4.1
123.08041	3.7
127.07532	52.3
130.08630	3.5
131.08591	6.5
133.06441	1.7
133.10065	2.4
135.08054	7.0
135.11649	3.9
141.09061	2.3
143.08484	2.9
145.10120	4.5
147.07990	2.2
147.11647	1.6
149.09604	2.6
157.10063	3.4
159.11676	3.0
161.09648	4.5
163.11139	2.2
170.87634	1.8
171.11649	1.9
217.15800	5.0
255.17484	3.0
273.18527	13.4
291.19495	45.8
305.21182	8.3
312.19379	3.1
323.22147	3.6
358.30502	3.4
359.14856	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	359.1482
Annotation	Chaetoquadrin G
Peak:m/z	Relative Intensity
55.01850	1.2
65.03927	5.1
67.05481	1.3
69.03414	1.3
69.07056	1.0
69.42637	3.2
69.43056	3.1
70.46164	0.6
78.59539	0.7
79.05491	1.5
81.07048	2.0
82.04172	0.9
85.02875	1.7
85.06501	0.8
91.05452	2.5
91.39497	0.7
93.03395	1.0
93.07010	2.1
95.04947	2.5
95.08604	1.4
96.19810	0.7
105.07001	1.5
107.04942	3.7
109.06495	1.0
110.03641	3.4
111.04408	5.2
115.05376	0.9
119.08491	0.8
121.02846	13.0
121.06476	1.6
121.10076	0.9
123.11671	0.8
125.05951	6.8
127.05483	0.7
128.06189	1.1
129.06955	1.7
131.04851	1.3
133.06390	0.8
135.08031	3.2
137.05974	1.4
138.02995	0.8
143.08525	0.8
144.05655	2.2
145.06479	1.9
147.08052	1.8
149.02316	4.9
150.99130	0.7
151.03847	1.5
152.06168	1.5
153.05432	6.9
153.06679	1.3
159.08018	4.3
161.05939	2.9
161.09592	2.8
162.06726	1.7
165.06964	3.5
166.07634	1.0
166.92551	0.7
167.06981	3.5
167.08548	2.9
169.06493	1.2
171.06532	1.7
171.07939	1.0
173.05939	1.0
175.07497	1.0
178.07715	3.9
179.08496	2.5
181.04907	15.4
181.06448	5.3
182.07240	2.0
183.08020	1.6
184.05115	1.8
184.08789	1.3
187.07516	1.1
191.08534	1.4
192.09288	0.9
193.06442	1.2
193.10091	1.1
194.07274	2.3
195.08038	8.5
196.05180	0.8
196.08723	1.6
197.05957	4.1
197.09564	1.7
198.06670	1.1
199.07494	1.5
199.11198	0.8
201.09135	0.7
203.08574	1.4
205.06464	1.5
206.07207	3.0
207.07977	4.0
208.08820	1.3
209.05887	2.8
209.09569	2.6
210.06709	6.5
210.10219	1.0
211.07520	4.6
212.08304	4.5
213.09012	2.0
217.06270	0.9
219.07985	1.8
220.08789	2.1
221.06055	1.5
221.09547	8.0
222.06699	1.7
222.10255	3.3
223.03900	1.2
223.07533	9.6
223.11128	2.5
224.08220	4.3
225.05394	2.4
225.09081	5.6
226.06296	1.1
226.09654	1.1
227.07004	6.8
227.10620	3.4
232.09154	0.9
234.06703	2.5
235.07498	3.1
236.08195	1.0
237.05400	1.7
237.09077	7.1
238.06168	4.8
238.09810	7.4
239.07022	6.6
239.10590	2.9
240.07741	17.3
241.08507	3.0
242.05620	1.3
242.09424	1.0
248.08282	1.2
249.05338	1.4
249.09009	5.3
250.09850	2.6
251.06996	6.0
251.10570	1.6
252.07745	4.8
253.08543	34.6
253.12172	12.4
254.09218	5.1
255.06503	7.3
255.10127	8.1
256.07117	0.9
256.10635	1.3
257.08063	6.8
257.11703	1.0
263.07056	1.1
263.10577	0.9
264.82910	0.8
265.08493	5.6
266.05780	1.3
266.09308	6.2
267.06494	2.4
267.10110	7.3
268.07263	6.1
269.08023	11.9
270.08829	4.5
271.13196	1.7
272.10550	1.6
277.08536	1.3
279.09857	0.9
280.07443	0.9
280.10886	0.9
281.08029	9.8
281.11682	11.5
282.08801	3.8
282.11655	0.9
283.05997	3.3
283.09595	16.1
284.10294	5.8
285.07584	2.4
285.11075	2.3
285.14767	3.2
294.08932	1.4
295.09589	3.9
297.07556	3.8
297.11191	1.9
298.08279	6.1
298.11966	4.1
299.09305	1.6
299.12692	14.4
300.09930	12.9
300.13187	1.4
301.10504	1.4
303.15793	1.2
309.11121	9.9
310.11893	3.8
311.09113	1.1
313.10623	62.9
313.14288	38.0
314.10910	2.5
314.14642	1.8
316.13174	1.1
326.11505	4.5
327.12207	60.7
328.12833	4.9
331.15326	18.2
341.13766	34.4
341.17950	1.6
342.14224	1.5
359.14810	100.0
360.15204	5.6
370.30917	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2993
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
51.88933	2.9
55.01851	2.8
55.05505	63.2
57.03420	11.2
57.07070	39.7
67.05135	3.2
67.05494	67.5
69.07057	97.9
69.97421	7.5
69.97816	5.3
70.06578	5.3
70.07409	3.1
71.04972	10.5
71.08620	32.3
79.05477	40.2
81.07042	83.2
83.04979	10.1
83.08603	60.4
85.06544	4.6
85.10177	20.2
88.07621	10.7
91.05479	4.2
93.07030	53.1
95.04906	3.5
95.08589	86.7
97.06530	27.2
97.10149	48.8
101.06001	12.7
103.03934	3.7
105.07019	7.4
106.08642	5.9
107.08571	44.4
109.10137	41.1
111.08080	9.8
111.11682	14.8
119.08557	4.9
121.10129	85.9
123.11688	17.3
125.09622	7.3
125.13291	4.6
135.11673	62.4
137.13228	9.2
139.11182	5.7
149.13196	28.4
151.14812	6.4
153.12715	3.3
159.07994	3.3
163.14798	13.2
164.89241	2.8
165.16362	10.1
167.14299	3.4
177.16306	6.1
191.17876	8.4
247.24176	76.1
265.25229	100.0
266.25635	4.0
283.26279	5.8
339.28882	73.6
357.24069	6.8
357.30054	10.4
357.35486	57.0
357.39563	2.3
358.36691	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.8
53.32680	0.4
55.01852	0.5
68.99806	0.3
69.07051	0.8
69.36576	1.5
69.36996	1.9
70.06568	0.6
77.03944	0.4
79.05486	0.6
81.03439	0.4
81.07069	0.6
83.78961	0.4
86.09692	13.8
87.00810	0.6
87.04449	2.3
91.05492	0.8
93.07038	0.9
95.04958	5.2
95.08575	0.6
98.20779	0.8
105.03371	100.0
106.03690	2.1
115.03939	0.5
119.04903	0.5
119.08555	0.5
121.10090	0.4
123.04421	1.1
131.08560	0.5
148.04736	0.5
157.95779	0.4
167.07018	4.8
169.07629	0.4
173.04422	6.8
176.04233	0.6
191.07002	1.0
199.17984	5.1
201.03911	0.4
207.06596	0.7
208.06868	1.3
209.08006	1.0
218.29832	0.4
219.06499	0.5
219.13620	0.4
227.17438	2.9
237.07526	30.8
238.07854	1.0
244.15440	0.7
245.18617	0.8
272.33151	0.4
323.07611	1.5
334.72577	0.5
358.30368	0.5
359.12164	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.7
55.01853	0.8
55.05498	0.2
56.05023	0.3
56.96550	0.5
57.03431	1.6
58.06567	0.6
58.99580	0.2
60.04492	0.7
61.02916	1.1
62.80059	0.2
63.69744	0.2
65.03928	1.2
68.99776	0.3
69.03075	0.4
69.03422	5.0
70.06583	4.6
70.50047	0.8
71.01285	0.2
71.04975	0.9
71.06892	0.4
72.08147	3.2
73.02906	2.8
76.02206	0.3
81.03405	4.2
82.06567	0.5
83.06092	0.3
84.04495	1.1
84.08128	4.6
85.02894	7.8
85.06522	0.3
85.08462	0.4
86.06047	0.7
86.09687	0.9
87.00813	2.8
87.04456	0.4
88.02211	0.5
88.03983	0.3
88.07616	1.1
91.05437	1.2
92.04954	1.2
92.05804	0.4
92.92927	0.2
97.02881	3.2
98.06035	0.5
99.04448	1.4
100.07616	1.3
101.02370	0.3
101.07124	0.7
102.05557	0.4
103.03918	0.3
105.01837	1.3
106.05038	0.3
107.04925	0.3
108.04459	0.3
109.02861	3.6
110.06023	100.0
111.06367	2.0
112.07592	0.3
115.03916	0.8
116.07092	0.5
116.98608	0.3
117.01855	0.7
117.03388	0.3
119.01901	0.3
119.04911	1.5
120.05262	0.6
120.08059	0.3
121.06524	0.4
123.00826	0.3
123.04427	0.4
123.06809	0.6
124.03954	0.5
124.07584	0.2
127.03900	4.7
128.07059	0.5
129.01845	0.5
129.10236	1.0
130.04980	0.5
130.08633	1.1
131.01898	0.4
131.04877	0.3
132.10268	0.3
133.04988	0.2
134.05981	0.3
136.06154	0.6
136.07588	0.4
137.05968	0.9
138.05466	2.2
138.06313	0.3
142.08617	0.4
144.10146	0.5
145.02855	0.8
145.04929	2.9
147.04385	5.7
148.04753	2.0
148.07458	0.4
149.05981	0.3
150.05479	0.3
150.09082	0.3
151.90546	0.2
152.04483	0.3
152.07045	0.7
156.07658	0.2
159.02856	1.9
161.04433	0.3
161.08052	0.6
163.03934	0.3
163.06020	0.7
164.07109	0.3
166.08591	0.6
167.06935	0.3
171.14909	0.3
174.11288	0.4
177.00659	0.2
177.04034	0.3
177.05389	1.1
178.08577	1.0
183.14874	0.3
186.07628	0.3
188.07704	0.3
188.17595	0.3
189.12323	2.1
192.06477	0.3
193.03256	0.6
194.03516	0.8
195.07990	0.3
196.06087	0.4
196.08154	1.0
196.09688	4.2
199.10799	0.4
203.07602	0.4
205.03491	0.2
212.07594	0.3
223.04463	0.2
227.10167	0.4
231.05006	0.4
237.07559	0.4
246.22798	0.3
272.11365	0.3
295.10016	0.2
330.19360	0.2
340.10004	0.3
358.11206	8.4
358.14941	1.6
358.19788	6.7
358.29611	1.7
359.03101	0.3
359.11670	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2992
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14621	2.7
52.91975	2.6
53.03922	3.1
53.34865	2.5
55.01846	2.7
55.05503	69.5
57.03424	10.4
57.07067	38.7
59.97817	2.8
65.27100	3.0
67.05493	71.8
69.07057	95.0
69.53383	3.2
69.81518	17.6
70.06584	5.6
71.08626	20.0
74.32565	2.6
75.04478	3.6
79.05480	38.9
80.40456	2.8
81.07048	85.5
83.04971	4.0
83.08603	67.8
85.06538	5.6
85.10171	12.9
88.07604	8.5
91.05445	2.8
93.07027	56.8
95.08593	79.7
95.09176	5.6
97.06511	27.7
97.10147	42.9
98.20815	4.3
102.09195	4.7
103.03930	5.3
103.86932	3.2
105.07016	4.9
107.08566	38.2
109.10148	45.3
111.08057	12.7
111.11701	17.2
121.10123	86.0
123.11679	18.6
125.09643	8.5
125.13280	3.8
129.05438	3.8
135.11670	60.6
137.13283	6.9
139.11147	5.8
143.14322	4.4
149.13246	24.6
151.14806	9.7
163.14832	12.4
165.16386	8.3
167.14247	3.2
177.16380	7.5
191.17903	2.9
209.19067	4.4
230.71072	2.7
247.24196	78.9
265.25214	100.0
265.27899	5.8
283.26385	8.8
297.06833	3.1
335.17419	3.6
339.28879	76.3
341.05481	3.3
357.30011	12.6
357.35519	66.1
357.39896	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	357.2993
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
50.06427	1.3
51.17218	1.5
52.46410	1.5
53.03936	2.9
55.01863	2.0
55.05505	69.2
55.41143	1.5
56.05824	2.5
56.15509	1.6
57.03428	14.0
57.07069	36.5
67.05497	73.2
69.07060	100.0
69.84122	4.3
69.84537	5.1
70.06569	6.9
70.07388	2.4
71.04974	4.4
71.08621	24.5
74.96280	1.4
75.04475	3.6
79.05478	39.4
81.07047	82.7
83.04985	2.6
83.08607	64.1
85.06532	5.0
85.10170	13.0
88.07626	9.3
89.07964	2.0
91.05474	5.4
93.07034	49.6
94.27429	1.8
95.08598	75.1
96.08961	1.7
97.06513	21.8
97.10159	40.7
99.08059	3.3
103.03941	4.3
106.08682	3.1
107.08575	36.8
109.10146	40.4
111.08081	11.6
111.11700	15.3
119.08613	1.7
121.10132	75.3
123.11690	15.1
123.65211	1.7
125.09607	6.5
125.13249	5.3
129.05504	2.6
135.11679	59.9
137.13200	5.2
139.11189	4.4
143.10600	2.0
149.13240	27.4
151.14838	8.6
153.12718	3.8
163.14763	10.5
165.16367	10.0
167.14281	3.7
171.13806	1.7
177.16414	7.2
179.17975	1.8
181.15863	1.9
191.17957	4.4
191.52776	1.6
199.16606	1.8
209.18806	1.9
217.22906	1.9
247.24187	77.7
248.24577	2.6
265.25241	93.4
266.25650	3.3
283.26151	9.3
339.28906	72.5
339.34201	3.7
357.25961	10.3
357.30173	11.9
357.35477	71.6
358.30484	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	356.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.6
55.05495	7.3
56.05006	0.9
60.04507	1.1
65.03915	0.8
67.05495	1.9
69.03424	1.1
69.07039	1.1
70.06578	4.7
70.25044	2.4
72.08157	3.7
74.02418	0.8
79.05482	1.3
81.03391	0.9
81.07055	1.0
83.04970	1.1
83.08600	5.3
84.04482	1.4
84.08126	24.7
85.02884	1.0
86.06015	0.6
86.09710	3.8
88.03977	1.1
91.05450	8.5
91.05918	0.7
93.07045	0.9
95.04961	0.8
100.07587	2.4
100.11234	70.8
101.11575	1.9
103.05434	0.9
106.93533	0.6
107.04913	1.3
109.06456	0.9
110.07162	2.3
116.07106	1.9
117.07003	1.0
117.13914	1.1
118.30166	0.6
119.04916	20.6
119.08555	1.6
120.05267	1.1
123.90150	0.6
124.07629	0.7
127.08659	1.0
129.10179	0.9
130.08612	33.7
130.15878	2.2
131.04887	1.6
134.04462	2.0
137.05960	8.4
137.09544	1.1
140.07063	0.8
147.04379	100.0
148.04727	7.4
163.03867	1.4
163.07507	1.1
164.04239	1.1
168.06544	1.3
177.05463	1.3
181.04951	2.2
190.85800	0.5
193.04897	0.8
195.02850	1.2
195.06483	0.7
209.16440	16.5
227.17487	88.2
228.17752	3.7
338.03677	0.6
338.24286	2.0
339.07077	1.0
356.12692	0.9
356.25275	2.0
356.28986	2.1
357.13239	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03913	1.4
69.03403	0.6
69.60397	4.2
70.06573	1.2
78.75474	0.5
84.08126	2.8
85.02906	0.6
91.05457	13.8
93.50634	0.6
93.90388	0.5
100.07635	0.6
115.08675	0.6
119.04922	27.5
123.04317	0.6
123.93846	0.5
129.10188	0.7
137.05966	2.3
142.71832	0.5
147.04382	100.0
148.04715	4.7
231.68065	0.6
315.45499	0.6
346.78946	0.5
357.21005	0.6
357.29333	1.0
361.16656	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.9
54.69746	2.7
55.01860	9.8
55.05497	18.7
56.98524	2.6
57.03412	5.2
57.07069	3.6
59.04983	10.7
61.84104	2.5
62.52684	2.4
65.03934	5.1
67.05489	30.5
69.03404	10.0
69.07054	39.2
70.06580	18.4
71.04974	19.9
72.08161	15.7
77.03915	2.7
79.05482	38.1
81.03404	7.2
81.07040	71.0
83.04951	10.4
83.08588	7.0
84.04463	3.5
84.08117	13.0
85.02892	3.8
85.06507	12.8
86.09688	36.6
87.04453	5.6
88.02152	2.9
88.03957	3.4
91.05457	45.4
93.07026	100.0
95.04958	34.2
95.06065	4.0
95.08595	59.5
97.06510	20.5
97.10146	3.9
99.04428	5.5
99.08075	6.0
100.02213	4.6
100.07566	3.7
101.06026	7.0
103.05453	10.8
105.03365	19.2
105.07004	44.3
106.04166	2.5
107.04931	12.6
107.08572	38.7
107.92842	3.2
109.02834	7.1
109.06512	16.2
109.10149	29.6
111.04372	3.4
111.08057	14.4
115.05421	6.9
117.05493	3.3
117.06966	10.3
119.04913	25.6
119.08553	25.6
120.08070	2.8
121.06476	10.6
121.10123	97.9
122.03570	3.7
122.06017	2.9
122.10467	4.5
123.04414	4.8
123.08015	16.0
123.11674	28.7
124.20975	3.0
125.05994	7.5
125.09592	9.1
127.07565	2.7
127.11189	3.5
129.07008	6.2
129.10201	3.6
131.04892	9.5
131.08542	14.6
133.06409	6.7
133.10095	17.3
135.04381	3.6
135.07996	9.1
135.11699	13.1
136.07504	3.7
137.05939	47.8
137.09563	12.5
137.13260	7.0
139.11157	19.3
140.15985	3.0
143.08591	6.7
143.10651	6.0
145.02867	3.2
145.06299	3.5
145.10124	25.1
146.02634	4.1
147.04378	33.5
147.07999	6.9
147.11662	23.2
148.04642	7.3
149.05975	9.0
149.09573	11.7
149.13228	5.5
151.03883	11.4
151.04987	3.6
151.07523	7.1
151.11111	7.7
153.05397	8.8
153.12715	12.8
157.10083	9.0
159.11655	16.6
161.05916	20.8
161.09616	7.7
161.13155	4.6
162.06693	5.5
163.07501	5.5
163.11134	15.1
165.06935	2.8
165.09047	4.0
165.11534	2.9
165.12711	14.8
167.06955	18.6
167.10663	16.0
169.12231	4.3
171.11598	4.8
173.05823	3.5
173.09491	2.9
173.13216	9.1
175.03893	23.1
175.07523	9.0
175.11122	3.2
177.05428	12.9
177.09033	3.8
177.12660	5.1
179.07063	5.0
179.10626	3.9
181.12210	13.0
183.06392	3.0
183.11621	2.8
185.05888	3.2
187.07396	4.6
187.14708	3.8
189.09132	5.5
189.16373	4.0
190.08652	5.4
191.06967	6.5
191.08548	4.5
191.10567	4.0
199.13208	3.7
199.14799	17.8
199.18015	8.1
201.16481	2.7
203.07008	41.4
205.06602	3.4
205.08496	4.6
207.06458	56.9
208.06831	4.6
209.09663	3.7
211.07542	3.9
215.17896	3.1
217.06555	3.1
217.15860	8.0
218.07169	3.5
219.07976	6.7
221.05879	4.1
222.06552	3.0
223.07501	4.1
223.17055	3.5
224.08130	3.0
227.17615	5.1
233.08032	8.3
234.06628	3.3
235.07549	7.1
235.16994	5.4
236.08258	4.1
237.09196	5.1
246.06671	4.2
247.07494	6.8
249.05562	4.3
250.06189	3.3
251.06886	5.7
253.08659	5.8
261.09094	7.1
263.07040	4.2
264.07825	4.5
265.08572	12.5
266.09119	4.9
267.09863	3.5
273.22113	3.1
277.08563	4.7
279.06573	3.2
279.10242	7.0
285.22125	15.2
289.08582	5.1
291.23080	4.4
293.07663	4.0
295.09512	3.1
297.11124	27.8
298.11697	3.9
303.22906	16.1
307.09598	12.6
309.07327	3.5
309.10977	5.4
311.09262	4.6
311.12851	3.7
313.10587	4.2
321.11096	10.5
321.24246	32.2
325.10654	24.6
326.10910	3.8
327.12164	10.7
329.13705	4.1
339.12259	13.2
339.25305	10.4
357.13245	63.2
357.17950	3.9
357.19751	4.0
357.24280	6.9
357.29221	5.2
358.13086	5.2
358.16806	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	356.097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.3
55.05500	0.5
57.03424	0.2
58.06571	0.3
59.04984	0.4
65.03926	0.5
66.44492	0.2
67.05487	0.4
69.03416	0.4
69.07049	0.4
70.06582	2.7
70.42306	0.2
71.04976	0.3
71.51302	0.2
71.51723	0.3
72.08149	2.4
73.02876	0.3
73.04689	0.2
76.07632	0.3
81.07027	0.6
83.04962	0.5
84.04497	0.4
84.08123	1.3
85.02926	0.2
85.06507	0.3
86.09705	1.6
87.04462	0.7
88.02209	0.2
89.06021	0.4
91.05466	8.0
92.05784	0.4
93.07016	0.3
95.04965	0.2
100.07603	0.5
101.06043	1.0
103.03910	0.4
105.07030	0.3
107.04911	0.4
110.07158	0.5
113.05994	0.3
116.07076	0.3
119.04924	21.1
119.08514	0.3
120.05271	0.5
120.08048	0.4
122.02689	0.3
123.04400	0.3
129.10147	0.2
130.06473	0.4
131.04913	0.4
131.07016	0.4
133.02780	0.3
133.06471	0.2
134.08109	0.3
137.05960	2.8
138.06293	2.1
145.06427	0.3
147.04385	100.0
148.04718	2.8
158.85364	0.2
163.03856	0.3
163.07445	0.4
165.09090	0.2
170.22899	0.2
170.79276	0.2
177.05429	0.8
179.07036	0.8
180.07375	0.8
187.07489	0.6
194.11739	0.9
200.16449	0.5
202.05687	0.3
205.08829	0.3
217.12254	0.2
291.68213	0.3
310.15399	0.2
356.11639	0.5
356.25269	0.7
356.29221	0.6
362.72595	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87446	0.5
51.29563	0.6
55.01856	1.5
55.05480	0.9
56.05011	0.6
56.09033	0.6
57.03417	0.5
59.04993	3.2
60.05326	0.7
67.05492	1.5
69.03429	0.7
69.07047	1.1
70.02953	2.9
70.06582	11.7
70.54510	0.8
71.04960	0.6
72.08144	8.9
73.02895	1.0
74.02425	23.3
79.05468	1.4
81.03384	1.3
81.07032	1.1
83.04964	0.8
84.04491	1.0
84.08130	4.7
85.02880	1.6
86.06061	0.7
86.09689	5.0
87.04466	0.7
88.02222	0.8
88.03977	38.3
91.05445	7.1
93.07023	2.5
94.04182	1.1
95.04969	1.0
95.08594	1.4
96.86438	0.6
96.91953	0.6
98.06042	1.6
100.07581	2.0
101.07105	1.8
103.05438	9.5
105.07008	1.4
107.04928	1.0
107.08574	0.7
109.02843	0.7
110.07131	1.7
111.00775	0.6
115.05441	2.0
116.02661	1.0
116.03438	13.7
117.06993	19.0
117.09093	0.8
118.07311	0.9
119.04915	9.2
119.08546	3.5
120.08081	1.0
121.06503	0.6
122.03611	5.2
122.05951	0.8
129.10248	1.7
131.04900	39.5
132.05247	1.2
134.04466	71.2
135.04285	0.8
136.07539	0.6
137.05952	100.0
138.06317	3.3
145.02827	0.8
145.06461	20.8
147.04385	41.1
147.08028	1.8
148.04729	2.5
149.05930	1.0
151.03871	1.0
153.05443	1.0
158.04411	0.6
161.05946	1.9
162.06662	0.7
163.03928	1.0
163.07513	40.0
164.07954	1.1
167.07051	0.8
175.03926	0.7
175.07516	1.4
177.05490	3.2
177.09079	13.6
179.03377	1.1
181.04903	1.1
185.16455	1.0
187.07486	1.3
189.05510	0.7
190.05780	0.9
191.07098	0.9
193.04904	0.8
194.14772	0.8
195.10097	1.0
200.16473	1.1
201.05370	0.8
202.05708	0.8
203.03297	4.8
203.07071	1.7
204.07283	0.8
205.04892	3.4
205.08557	21.7
206.05304	4.5
206.09012	1.2
223.09685	2.8
232.06935	1.0
232.09636	2.8
235.05983	1.0
236.06276	3.7
238.08446	0.9
245.22340	0.7
260.06305	2.1
272.06363	1.2
274.10733	1.8
284.06302	1.5
290.07401	1.6
291.05093	0.6
292.11707	2.6
296.09766	0.6
302.07425	1.3
320.07965	0.7
320.11295	2.6
338.08551	1.0
338.12244	7.5
338.27994	0.9
339.07162	0.8
356.13602	3.8
356.25330	2.2
356.29037	3.1
357.14423	1.0
362.72650	2.0
363.22729	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	4.2
55.05483	4.8
61.16584	1.3
62.06079	50.5
62.81749	1.5
67.05479	6.0
69.07050	4.5
70.06551	3.1
71.52061	1.6
71.52462	1.5
72.08157	8.6
79.05470	4.7
81.03397	1.7
81.07041	20.9
83.04966	3.0
83.08591	3.3
84.08120	7.4
91.05428	3.0
93.07005	4.5
95.08604	8.8
100.07601	7.2
105.06994	4.0
107.08556	5.2
107.74186	1.6
109.02857	1.7
109.06488	9.2
109.10117	5.0
111.04411	12.9
111.08025	1.6
117.07008	1.8
117.19940	1.4
119.08557	3.8
121.10123	4.6
123.11633	1.8
124.95908	1.4
125.05974	6.2
133.10074	4.8
135.07988	4.4
135.11688	3.4
137.05951	97.0
137.09576	2.3
139.07516	2.3
145.06508	1.5
145.10091	2.6
147.11638	5.4
149.09593	3.0
151.07501	2.5
157.10120	1.9
159.11687	2.5
161.05872	1.9
161.09573	5.6
161.13162	2.8
163.11078	2.7
165.08974	2.2
175.11115	4.6
200.16460	8.1
203.06979	1.7
203.17853	4.3
213.16310	3.4
213.38756	1.5
229.06181	2.8
231.17421	4.9
231.44160	1.7
235.07373	1.8
236.16486	1.8
245.22220	4.4
248.20181	2.6
249.18430	4.2
257.05472	2.0
276.19501	9.0
277.17947	26.5
278.18237	1.8
289.57471	1.6
295.18863	5.8
307.09589	1.7
320.22144	100.0
321.20337	2.0
325.10529	1.9
338.23199	90.9
339.12167	2.0
339.23517	3.1
356.12222	3.6
356.29022	19.6
356.33591	2.3
357.13333	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	356.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.3
55.05511	1.5
56.05008	0.4
57.03429	0.3
65.03930	0.6
66.50114	0.2
67.05487	0.8
69.07040	0.9
69.49612	1.7
69.50029	0.5
70.06587	1.6
72.08150	2.8
74.02432	0.4
76.79344	0.3
79.05470	0.4
81.07052	0.3
82.06551	0.5
83.08604	1.0
84.04451	0.5
84.08133	5.3
85.02875	0.9
86.06029	0.3
86.09685	1.0
88.02221	0.3
88.03963	0.6
91.05457	6.1
93.07024	0.6
93.23878	0.3
94.06522	0.4
95.04953	0.5
95.08579	0.6
97.06573	0.3
98.09666	0.5
99.04442	0.3
100.07609	1.6
100.11245	12.6
102.49091	0.3
105.07021	0.4
106.81222	0.3
107.04914	0.6
110.06048	0.4
110.07137	0.7
111.41155	0.3
112.11218	0.5
117.06975	0.4
118.19316	0.2
119.04924	17.0
119.08537	0.6
120.05257	0.4
120.08070	0.5
121.06481	0.4
125.06123	0.3
129.10234	0.8
130.08618	6.3
130.15923	0.4
131.04910	0.5
133.06514	0.3
134.04486	0.5
135.04555	0.3
137.05956	2.7
140.07059	0.6
145.06387	0.3
147.04390	100.0
147.95126	0.3
148.04710	2.3
153.54164	0.3
156.14871	0.3
163.03862	0.4
163.07555	0.4
164.07053	0.3
165.09088	0.3
167.11815	0.3
168.06575	0.5
174.05385	0.5
174.16061	0.4
176.73872	0.3
177.05428	0.7
179.03331	0.3
181.04985	0.3
193.04924	0.5
194.05284	0.6
200.16368	0.3
203.07037	0.3
209.04639	0.4
209.16479	2.9
222.14856	0.7
227.17503	15.9
240.16106	0.3
244.04002	0.3
287.91336	0.3
288.97568	0.3
321.21902	0.4
338.24353	2.8
338.27914	0.4
339.07153	0.4
340.29691	0.4
356.12579	1.0
356.21194	0.5
356.25360	1.8
356.29111	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	2.0
55.01856	2.2
55.05262	2.5
55.05503	28.9
57.03416	5.7
57.07064	14.8
59.08038	1.5
63.92975	1.3
65.03931	2.7
67.05492	69.7
68.05813	2.3
69.07055	34.8
70.06576	6.3
71.04973	2.8
71.08610	7.8
71.53497	2.5
72.08146	3.2
73.02892	2.0
79.05481	22.2
80.05796	1.6
81.07043	100.0
82.07355	2.7
83.04945	2.5
83.08609	27.5
83.09072	1.1
84.92098	1.5
85.06512	3.4
85.10152	4.4
85.67767	1.6
88.07613	6.9
91.05445	16.1
93.07029	28.0
95.04925	2.5
95.08591	84.4
96.08930	3.1
97.06512	9.5
97.10143	18.8
98.21098	2.6
99.08047	4.3
99.22552	1.5
102.09203	2.0
105.06992	13.5
106.08638	2.8
107.08572	20.0
109.10135	43.6
111.08034	4.5
111.11710	5.9
113.09642	1.6
119.08556	15.9
121.10126	27.1
123.08035	2.2
123.11679	23.9
125.09595	2.4
127.11164	1.7
131.08540	1.6
133.10095	19.3
135.11676	16.1
137.09575	3.2
137.13246	11.6
141.12718	3.1
147.11653	14.5
149.13280	11.4
151.14790	7.4
155.14252	1.9
159.89456	1.6
161.13240	14.3
162.13576	2.0
163.14767	14.6
165.12651	1.8
165.16359	10.3
173.13136	1.7
175.14766	10.8
177.16345	3.0
179.17902	4.8
181.15906	2.1
189.16335	5.1
191.17810	1.6
203.17943	3.0
214.89423	1.5
217.19548	1.9
219.09555	1.6
219.17554	1.8
241.50214	1.5
245.22607	54.2
246.22972	3.5
247.24126	3.1
263.23648	65.8
264.24100	3.5
277.77051	1.5
337.27313	34.5
338.27798	3.0
338.34073	3.7
355.28214	7.5
355.33731	2.5
356.35156	59.2
356.39557	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	355.2836
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
51.40832	0.9
53.03932	1.4
55.01853	0.9
55.05502	28.0
56.05814	0.8
57.03196	0.8
57.03436	7.6
57.07063	14.0
65.03918	2.2
67.05492	77.0
68.05808	2.0
69.07056	32.3
70.06579	1.4
70.16581	3.6
71.04966	2.3
71.08628	5.6
79.05013	0.9
79.05478	23.4
81.07040	100.0
82.07388	2.6
83.04950	2.6
83.08601	23.4
85.06511	2.7
85.10163	2.9
88.07628	1.3
91.05455	15.1
93.06473	1.7
93.07025	24.9
95.04949	2.2
95.08588	85.6
96.08911	2.2
97.06500	9.0
97.10149	15.2
99.08067	4.1
100.07648	1.1
105.07009	11.3
106.08643	1.0
107.08572	20.0
109.06470	1.2
109.10134	40.1
110.10421	1.4
111.08073	4.6
111.11670	7.0
113.09628	2.2
119.08554	14.6
121.10123	24.6
123.11669	22.0
125.09589	2.6
125.13248	1.4
127.11124	2.7
129.05412	1.5
131.08563	0.9
133.10101	14.6
135.11659	14.4
137.09595	1.4
137.13223	9.1
139.11166	2.0
141.12698	2.2
147.11658	11.8
149.13246	11.6
151.11250	1.1
151.14761	7.4
153.12764	1.0
155.14261	2.9
161.13228	13.0
163.14806	10.2
165.12732	1.5
165.16356	6.8
167.14293	1.8
175.14809	10.0
177.16359	3.6
179.17915	6.6
181.15800	1.1
189.16348	5.6
193.15860	1.1
203.17938	2.5
207.17410	1.3
217.19438	1.9
221.22708	1.2
245.22604	47.9
246.22899	2.6
247.24153	1.1
263.23657	58.3
264.24045	2.4
265.25302	1.2
281.24759	1.9
317.35980	0.9
337.27292	40.3
338.27631	4.1
355.28384	11.9
355.33914	21.3
356.28781	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2834
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
53.03927	2.7
55.05501	31.1
57.03427	9.2
57.07064	16.9
58.27383	1.2
66.59429	1.3
67.05492	90.5
68.05819	1.5
69.07055	40.8
69.81754	5.4
69.82175	2.4
71.04977	2.0
71.08627	7.5
75.38279	1.5
79.05475	26.6
81.07040	100.0
81.44897	1.5
83.04961	2.5
83.08601	29.8
85.06528	3.1
85.10165	2.9
91.05459	20.2
93.07027	30.0
95.04912	2.4
95.08588	85.4
97.06511	9.1
97.10143	20.8
99.08081	5.1
105.07016	14.0
107.08573	21.8
109.06525	1.4
109.10138	46.5
111.08073	3.9
111.11701	6.6
113.09624	2.2
117.06909	1.6
119.08565	17.9
121.10117	29.7
121.67346	1.4
123.08053	1.8
123.11681	21.8
125.13276	1.7
127.11141	2.6
129.05490	2.2
133.10109	19.9
134.14832	1.4
135.11656	16.2
137.09605	1.7
137.13161	9.5
139.11087	2.2
141.12766	3.7
147.11646	13.7
149.13232	11.1
151.11172	2.5
151.14771	9.1
153.12711	1.5
155.14307	4.2
161.13240	16.6
163.14761	14.1
165.16382	9.3
167.14323	2.0
175.14821	13.2
177.16356	2.2
179.17929	6.6
181.15866	1.7
189.16348	6.6
203.17944	2.4
207.17299	1.8
217.19453	2.4
245.22583	52.8
246.22809	3.4
247.24315	1.6
263.23651	64.0
264.24002	4.6
287.69604	1.7
299.76056	1.6
333.13278	1.4
337.27310	45.4
338.27548	2.9
355.28366	8.1
356.35147	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	355.2836
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
51.43696	1.3
51.89574	1.2
53.03925	1.6
55.05504	24.3
56.87316	1.4
57.03429	9.7
57.07069	15.7
65.03930	2.1
67.05495	80.0
69.03374	1.8
69.07060	35.9
71.02874	2.9
71.04977	2.8
71.08637	6.3
79.05486	21.9
81.07043	100.0
82.07373	2.1
83.04956	2.3
83.08148	2.4
83.08607	32.2
85.06528	3.6
85.10212	2.9
91.05454	17.5
93.06134	1.3
93.07030	24.3
95.08594	84.4
96.08901	1.4
97.06557	7.3
97.10155	20.0
99.08049	4.5
103.03918	1.5
105.07009	9.7
107.08580	19.6
109.06500	2.9
109.10139	44.5
110.10499	1.5
111.08059	4.7
111.11716	6.4
119.08544	10.7
121.10128	26.8
123.08036	2.8
123.11684	26.6
124.11983	1.9
125.09572	2.0
125.13271	2.6
127.11181	3.0
129.05467	3.0
133.10103	18.3
135.11662	18.2
137.09616	2.9
137.13226	10.4
139.11137	2.3
141.12730	4.0
147.11656	14.9
149.13252	14.9
151.11137	2.3
151.14799	9.2
155.14243	4.0
161.13234	20.1
163.14830	14.6
165.12755	3.3
165.16339	9.5
167.14259	2.7
175.14819	11.1
177.16379	2.5
179.14351	1.6
179.17944	8.9
181.15833	2.6
189.16350	6.4
203.17982	2.6
217.19392	2.2
221.22662	1.3
245.22618	67.7
246.22952	3.9
247.24249	2.3
263.23672	76.5
264.23987	4.0
265.25208	2.2
280.18195	1.4
337.23224	2.8
337.27313	57.7
338.27838	3.2
355.28299	17.7
356.28467	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	354.336
Annotation	Anandamide (20:l, n-9)
Peak:m/z	Relative Intensity
55.05276	0.8
55.05506	11.9
56.05026	1.3
56.05787	0.9
57.05814	1.6
57.07068	15.0
58.02935	2.7
58.06309	1.2
58.06593	23.1
60.04522	3.9
64.71337	0.7
67.05489	7.4
69.07061	22.7
70.02956	5.0
70.06578	7.4
71.04985	1.4
71.08628	10.6
71.17773	1.7
72.04493	3.2
72.08130	1.5
74.06053	3.5
76.70539	0.7
79.05482	2.0
81.07047	14.5
82.06555	2.5
83.04964	1.9
83.08149	1.1
83.08609	14.2
84.08119	6.4
85.06516	1.1
85.10172	5.4
86.05679	0.8
86.06068	8.1
87.04469	1.1
87.06835	2.3
93.07025	2.6
95.08593	18.2
96.87959	0.8
97.06498	1.4
97.10155	9.1
98.09671	2.1
105.06950	1.0
107.08598	1.6
109.10140	10.4
111.11708	5.0
112.07604	1.0
119.08520	0.8
120.05713	0.7
121.10072	1.9
123.08092	1.3
123.11665	5.4
125.13242	2.5
134.38116	0.8
135.11714	1.3
137.13226	1.9
146.78079	0.8
163.14792	0.9
225.54861	0.8
268.29916	1.5
294.31473	3.9
306.31509	5.1
307.30011	2.6
308.33133	6.3
326.34192	7.1
336.32587	12.7
337.30905	1.0
344.56958	0.9
354.33612	100.0
355.33926	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	355.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.5
55.05494	0.6
67.05482	1.9
69.70206	1.9
69.70624	0.6
70.06565	0.6
73.04734	1.2
77.03909	0.6
79.05471	0.6
81.07045	0.5
82.06565	5.7
85.02914	0.7
91.05793	1.3
93.06995	0.6
95.05014	0.7
96.04439	0.5
98.06043	1.6
98.20747	0.7
105.06984	0.7
107.04922	0.7
110.06024	15.7
119.04926	1.6
121.02885	0.8
122.05993	0.6
126.05483	7.7
128.07039	2.2
135.04414	0.6
136.07550	53.1
137.05963	2.2
137.07870	1.2
138.05467	2.3
140.07036	1.0
140.15631	0.4
147.04375	7.2
152.07024	1.9
156.06557	1.2
162.05470	0.7
163.03886	3.1
164.07031	100.0
165.07430	2.3
166.04945	0.5
175.05537	0.4
182.08093	96.9
183.08411	1.6
186.09062	0.7
193.04875	0.6
198.09109	0.6
206.49266	0.4
215.08075	0.4
217.04787	0.5
228.10104	0.5
230.08133	0.8
256.09567	0.9
259.10596	1.2
260.09262	0.5
263.05399	0.8
277.95251	0.5
285.00949	0.5
301.11646	1.5
302.10184	2.4
319.12891	5.2
320.11304	1.6
337.13882	2.8
338.12827	0.6
355.06781	0.9
355.15009	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22268	0.4
55.01871	0.5
55.05503	0.8
61.35550	0.4
61.85191	0.4
63.58661	0.4
65.03931	0.6
67.05491	2.0
69.07035	0.6
69.53850	3.2
70.06580	1.2
73.02912	0.4
73.04739	0.8
76.10064	0.4
79.05479	0.6
80.05015	0.5
81.03394	0.5
82.06568	5.9
84.08125	0.4
85.02885	1.5
86.09662	0.5
88.02164	0.5
91.05775	1.8
95.04972	0.6
98.06052	1.2
98.20823	1.0
101.02345	0.7
105.01859	0.5
107.04930	1.3
109.02821	0.6
109.30579	0.4
110.06022	18.0
111.06397	0.5
117.03312	0.5
119.04920	1.8
121.02844	11.1
122.06001	0.9
122.07137	0.8
123.04415	0.6
126.05497	8.3
127.03994	0.5
128.06206	0.4
128.07005	2.1
130.04974	0.5
131.04849	0.4
134.02670	0.5
135.04385	1.6
136.07555	53.2
137.06026	2.0
137.07857	1.3
138.05444	2.5
140.07021	1.0
145.02800	0.8
147.04387	10.2
151.02684	0.4
151.03844	0.6
152.07048	1.7
156.06511	1.0
162.05472	0.6
163.03882	7.3
164.07037	100.0
165.05305	0.5
165.07411	2.5
182.08099	95.0
183.08447	2.6
189.03984	0.5
192.03949	0.6
193.07225	0.7
200.10782	0.4
208.09541	0.6
209.15535	0.5
214.08650	0.5
228.10123	0.5
230.08131	0.5
235.04320	1.0
250.60197	0.5
256.09695	0.5
259.10727	1.3
263.05588	0.9
285.00916	1.2
301.11777	1.3
302.10150	1.7
319.12845	2.9
320.11096	1.3
323.07523	0.5
337.09439	0.7
337.13852	1.8
355.06323	1.0
355.10004	2.8
355.14780	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	354.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05338	0.5
52.98001	0.5
54.87391	0.5
56.05015	1.1
56.54730	0.5
57.03419	0.8
61.02905	0.6
69.03408	2.3
70.06567	1.3
71.51067	0.8
71.51440	0.6
73.02917	1.2
81.03387	0.7
81.15163	0.6
84.08131	47.3
85.02884	6.1
85.08459	1.1
93.09808	0.6
94.93633	0.6
96.92194	0.7
97.02872	2.1
116.07026	2.5
119.01914	0.8
127.03898	3.4
130.08620	100.0
131.08932	2.3
138.05487	0.5
143.01898	1.8
145.04924	1.0
151.90036	0.5
155.01884	1.3
161.02982	1.5
173.02956	1.6
183.05025	1.1
185.02922	2.1
185.06290	0.5
192.05466	0.9
203.04019	1.2
215.03845	0.7
245.05118	3.1
246.05312	0.6
263.06171	1.6
264.07635	0.7
275.06531	0.6
287.22272	0.6
290.70251	0.5
354.08670	0.5
355.30139	0.6
365.09241	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	354.1475
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.7
55.05502	1.0
56.04750	0.4
56.05025	5.2
57.03420	0.6
59.04982	0.3
61.01140	2.1
64.50381	0.3
67.05488	1.1
69.03435	2.1
69.07035	1.0
70.02921	0.3
70.03737	0.3
70.06581	4.1
70.07401	0.3
71.04968	0.7
71.17021	0.7
72.08137	3.7
73.02898	0.3
73.45824	0.3
79.05466	1.7
80.05817	0.4
81.03407	0.5
81.07043	3.2
82.07362	0.5
83.04951	0.8
83.08606	0.5
84.04494	0.6
84.08125	1.2
85.02892	2.0
85.06525	0.4
86.09705	1.8
87.00813	0.7
87.02653	0.4
88.28049	0.3
91.05436	2.3
93.07038	2.1
95.04940	0.9
95.08588	2.1
96.08937	0.4
97.02878	0.7
97.06521	0.4
99.04423	0.4
99.09182	0.6
100.07594	4.5
102.05502	1.1
103.05448	1.2
104.05312	10.0
105.01816	1.0
105.07001	1.2
106.07335	0.5
107.04892	0.6
107.08567	2.8
108.08900	1.2
109.02818	0.4
109.06502	0.7
109.10173	0.5
110.06002	0.4
111.04411	0.5
111.08034	0.5
112.11227	0.4
115.08662	2.4
116.07069	0.7
119.04914	0.8
119.08595	0.9
120.08082	100.0
121.06463	0.7
121.08433	3.1
121.10107	1.3
122.02714	0.4
122.10458	0.8
123.08032	0.5
123.11661	0.9
124.12025	0.8
127.03877	1.0
128.07092	0.5
129.10150	0.4
131.08556	0.8
132.08873	0.4
133.03168	6.4
133.10121	0.7
134.05963	0.4
134.10442	0.4
135.08032	0.8
135.11652	0.6
136.11911	0.4
137.05937	2.0
138.06305	0.3
145.04926	0.8
147.04341	1.6
147.11636	0.4
148.04765	0.6
149.09541	0.9
149.13200	0.4
150.05811	23.2
150.13503	0.8
161.05913	0.7
163.03871	0.5
167.06967	0.9
171.14876	0.7
173.05986	0.5
174.13524	0.5
175.03877	0.8
175.11086	0.9
177.05376	0.9
177.10201	46.1
178.05872	0.9
178.10599	1.7
179.07037	0.4
188.17543	0.8
191.14197	0.4
192.14561	0.4
193.05025	0.4
201.05429	4.9
205.09703	12.3
206.10002	0.6
210.15662	0.4
216.10217	1.0
217.04869	0.7
218.05228	1.1
231.04660	0.3
233.05640	0.4
234.06555	0.5
246.30278	0.3
249.05923	0.4
297.12540	1.0
305.08026	0.5
307.09607	0.5
337.10583	0.4
337.24673	0.6
343.94070	0.4
346.79776	0.4
354.14429	1.4
354.19800	2.6
354.27457	9.1
355.07800	1.0
355.12115	1.0
357.97855	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05002	1.4
57.03413	2.1
60.04505	1.8
61.02911	7.1
70.56180	0.9
70.71857	3.2
71.01335	1.8
73.02904	31.0
81.03400	1.7
81.30540	1.0
84.04491	72.0
85.02884	1.8
87.04501	0.9
95.63273	1.1
96.04488	6.1
97.02887	1.5
98.06029	4.6
99.04410	1.3
109.02836	1.9
112.65102	1.0
115.03925	4.3
115.96832	0.9
126.05496	100.0
127.05859	2.0
133.04942	1.3
134.95631	1.0
138.05472	47.5
139.05815	1.1
144.06522	9.1
168.06520	16.9
186.07559	13.3
203.68292	1.0
204.08638	94.8
205.09007	4.3
222.09688	15.6
336.12857	5.8
374.13113	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	1.6
55.05479	1.0
55.86649	1.0
56.05024	1.9
56.07716	1.0
57.03432	1.7
60.04520	1.9
60.21584	0.9
61.02921	6.4
61.03160	1.1
69.03403	3.4
69.07069	1.3
69.50634	5.7
69.51054	2.5
70.06586	1.8
71.00869	1.0
71.04990	1.2
72.04475	1.3
72.08151	5.9
73.02908	29.5
78.89534	1.0
79.05465	1.4
81.03408	3.4
81.07038	2.3
84.04489	78.5
84.08129	1.8
85.02872	2.6
88.97902	1.0
93.07025	4.3
96.04449	6.2
97.02859	2.6
98.06028	4.8
100.07595	4.6
105.07002	1.5
107.08545	1.0
109.02858	2.8
110.02351	1.1
115.03903	4.7
121.10136	5.6
126.05494	100.0
127.03883	1.5
127.05788	1.6
128.07033	1.1
135.05858	1.0
138.05484	42.9
139.05824	1.1
144.06540	9.9
162.12685	1.5
168.06526	17.7
170.08141	1.5
186.07591	11.1
204.08646	98.4
205.08893	2.2
208.13287	6.5
222.09686	12.8
240.04849	2.8
270.05740	1.2
326.28046	2.0
336.09396	1.4
336.12781	5.8
354.10059	1.5
354.14612	1.8
354.18820	6.6
354.27332	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	354.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44984	1.3
54.63356	1.3
55.05487	3.2
56.05030	4.0
57.03418	3.3
59.09945	1.5
60.04497	2.0
61.02904	6.4
67.05484	4.4
69.03417	2.4
69.07047	3.3
70.06581	1.4
70.56050	5.6
72.08131	4.4
73.02907	30.7
81.07034	3.7
84.04490	69.6
84.08097	2.4
93.07030	3.8
95.08585	3.2
96.04477	5.5
96.08871	1.4
96.25986	1.5
97.02885	4.4
98.06042	3.9
100.07598	2.0
107.08534	1.8
109.02843	1.8
109.10130	3.1
115.03882	2.5
119.08521	1.8
126.05499	100.0
126.64473	1.4
127.03869	1.9
127.05838	2.1
138.05481	42.4
144.06529	11.2
150.30688	1.4
151.46288	1.5
154.12262	10.1
164.91321	1.6
168.06532	17.0
172.13315	5.4
186.07538	13.7
196.13298	5.5
204.08649	96.4
205.08986	2.8
214.14323	2.2
222.09732	14.0
224.35425	1.5
235.13315	3.0
245.39124	1.6
262.22519	1.9
277.14246	5.5
336.12778	4.9
345.31946	2.0
354.27057	7.4
354.33368	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	354.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.3
55.05499	0.8
57.03432	1.9
59.04992	0.8
60.04515	0.9
61.02914	6.6
69.03405	2.9
70.06581	2.1
71.01333	1.5
71.07481	1.4
72.08137	3.5
73.02905	29.2
74.03236	1.0
76.39050	0.8
81.03400	1.8
81.07023	1.3
83.01344	1.3
83.04961	1.6
84.04490	77.3
85.02908	2.5
85.04832	1.4
93.07035	3.4
95.08608	1.4
96.04486	6.5
97.02874	3.3
98.06032	4.1
99.04453	1.2
100.07587	1.6
101.02373	0.8
107.08580	1.1
109.02848	2.5
110.06094	1.0
115.03939	4.1
121.10114	7.0
124.03902	1.0
126.05494	98.7
127.03899	0.9
127.05836	2.2
128.07062	2.2
133.04988	0.8
138.05478	47.0
139.05811	1.1
144.06532	10.7
162.12733	1.0
168.06540	17.4
170.08109	1.3
186.07588	12.9
204.08641	100.0
205.08931	2.5
208.13284	5.7
211.43871	0.9
222.09685	13.5
240.05002	2.0
252.05043	1.2
258.06210	1.2
318.08176	1.9
318.24747	1.4
336.09219	1.2
336.12851	6.7
336.16641	1.1
337.28226	1.0
354.10208	2.0
354.15118	0.9
354.19022	5.8
354.27277	2.6
354.31137	1.1
355.07108	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	354.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.8
55.05482	0.9
56.24132	0.6
57.03433	1.7
60.04513	2.4
61.02919	8.3
62.06082	3.6
65.64332	0.6
68.05015	0.7
69.03415	2.9
69.67321	1.3
69.67737	3.3
69.85207	0.5
70.06580	1.6
71.01338	0.9
72.08154	1.2
73.02905	32.3
74.37769	0.6
79.05486	0.8
80.05006	1.2
80.35544	0.6
81.03397	2.3
81.07039	2.3
83.04974	0.7
83.08540	0.6
84.04491	80.4
84.19303	0.5
85.02890	2.3
85.04826	1.0
85.06538	0.7
93.07021	2.8
96.04472	7.7
97.02870	3.0
98.06045	5.1
99.04425	0.7
100.07607	1.5
107.08558	0.8
108.04416	0.6
109.02859	1.8
115.03907	3.2
121.10118	3.9
126.05496	100.0
127.03878	1.4
127.05826	2.5
128.07089	0.8
133.04947	1.1
138.05479	46.7
139.05782	1.3
144.06544	11.8
168.06534	17.0
186.07565	12.4
198.14755	0.7
204.08643	98.3
205.08951	3.5
208.13258	3.9
222.09715	14.3
240.04971	0.8
252.04921	0.9
256.26328	2.0
269.30298	0.7
308.21185	0.6
318.24234	2.1
336.12802	6.9
336.25494	1.2
354.18896	3.4
354.27481	1.5
355.07849	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54306	0.6
56.05029	2.1
57.03420	2.4
57.07072	3.2
57.07709	0.7
60.04501	1.6
61.02917	7.0
64.60336	0.8
67.05485	1.1
68.04980	0.7
68.96167	0.7
69.03407	2.9
69.72987	0.7
70.06588	5.0
70.62542	2.3
71.01337	1.6
71.08620	1.9
72.08127	0.8
73.02903	32.3
80.04974	0.6
81.03413	1.0
81.07055	1.1
84.04489	79.5
84.08131	0.8
85.02878	2.4
85.04813	1.2
88.07612	6.9
88.08096	1.0
91.05769	1.0
93.07019	1.1
95.04945	0.8
96.04491	5.9
97.02872	2.9
97.03442	0.7
98.06040	6.0
100.07600	1.4
102.09155	2.7
105.07011	0.8
106.08640	4.6
109.02887	1.7
115.03896	3.9
119.08534	0.7
126.05493	100.0
127.03864	1.4
127.05814	1.9
133.04907	1.1
135.10339	0.7
138.05475	51.7
139.05836	1.9
144.06540	10.6
144.72000	0.6
168.05194	1.1
168.06537	18.5
172.23407	0.8
186.07573	14.0
204.08636	100.0
205.08989	3.8
222.09705	15.2
223.09763	0.9
225.25195	0.9
225.27245	0.7
232.83368	0.8
256.26324	3.8
265.92844	0.7
274.27353	30.8
289.40140	0.8
318.49326	0.7
336.09515	0.7
336.12866	6.3
354.22968	23.5
354.27335	1.1
355.23395	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82386	1.9
53.03942	2.0
55.05506	14.6
57.03433	2.8
57.07066	5.2
64.61379	1.6
65.03927	2.4
67.05495	86.2
69.07056	13.9
69.47217	13.9
71.04988	3.0
74.36821	1.9
75.04456	1.8
79.05477	41.3
81.07040	93.9
83.08606	5.1
85.06539	3.2
90.07636	1.8
91.05461	21.0
93.07027	53.1
93.87951	1.7
95.04916	2.8
95.07972	3.4
95.08588	63.4
97.06517	2.6
97.10160	4.3
99.08080	3.7
105.07024	19.4
107.08572	38.3
107.09287	2.3
109.10136	40.2
111.08088	2.9
117.07008	7.8
119.08562	15.2
121.10122	39.4
123.11691	17.8
124.88436	1.9
131.08542	20.7
133.10126	12.0
135.11667	24.3
137.13252	7.7
145.10098	14.7
147.11702	10.9
149.13217	21.1
153.12708	2.2
159.11678	13.9
161.13217	10.5
163.14825	15.1
173.13239	15.4
177.12820	2.1
177.16360	5.7
179.14328	2.5
187.14806	11.7
191.14336	1.9
205.15778	2.8
233.22588	3.7
243.21048	28.8
261.22083	100.0
262.22470	3.3
263.23608	2.4
279.23199	3.3
335.25626	9.0
353.26813	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	353.268
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
50.09050	0.9
53.03923	1.4
55.01847	0.9
55.05502	11.8
57.03197	0.8
57.03428	6.6
57.07055	4.4
65.03918	2.3
67.05494	86.1
68.05809	1.2
69.07055	14.9
69.35732	2.6
69.36131	7.1
71.04976	4.0
71.08601	2.1
75.04465	1.6
79.05479	34.6
81.07041	91.8
83.04945	2.3
83.08614	7.9
85.06518	2.9
91.05462	16.3
93.07027	47.7
95.04948	2.7
95.08591	73.4
95.84261	1.0
97.06506	2.7
97.10139	3.3
98.21549	1.7
99.08079	2.7
105.07007	18.6
107.08573	32.3
109.10139	39.3
111.08031	1.3
116.70647	0.9
117.07011	8.1
119.08559	14.1
121.10129	28.6
123.08051	1.8
123.11681	24.0
123.12572	1.5
125.09575	1.9
127.07530	1.1
131.08548	18.8
133.10114	14.6
135.11665	25.4
137.09598	1.7
137.13228	6.7
139.11208	1.8
143.08467	0.9
145.10095	12.8
147.11658	10.2
149.13237	16.9
151.11140	1.7
151.14792	3.0
153.12680	1.4
157.10005	1.0
159.11676	13.3
161.13214	9.3
163.11163	1.5
163.14783	11.9
165.12698	2.7
165.16365	1.3
173.13243	14.6
175.14824	3.2
177.12810	1.4
177.16351	6.1
179.14299	1.6
187.14771	9.4
189.16269	1.1
191.14285	1.6
201.16296	2.6
205.15898	2.0
219.17442	1.1
222.77597	1.1
233.22649	5.1
243.21036	24.7
243.23393	1.8
261.22095	100.0
262.22311	2.0
263.23630	1.7
279.23129	6.1
317.24661	1.5
335.25754	18.8
353.26740	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	353.2677
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03922	3.8
53.81857	1.7
55.05498	15.7
57.03410	4.9
57.07063	4.0
62.71288	1.9
65.03910	3.5
67.05490	100.0
69.07046	13.8
69.30237	20.6
70.37510	1.8
71.04962	3.1
79.05476	44.3
81.07037	99.2
82.52244	1.6
82.98053	2.0
83.08583	5.3
85.06512	2.6
91.05463	21.6
93.07024	62.9
93.07619	3.2
95.04939	3.5
95.08586	85.1
97.06476	2.6
97.10151	3.5
100.17861	1.9
102.87926	1.7
105.07010	16.6
105.95263	1.6
107.08569	43.1
109.09445	3.1
109.10136	37.4
111.11625	2.2
114.91896	1.8
117.07007	7.9
119.08561	17.2
121.10115	35.0
123.11682	25.5
125.09592	2.3
131.08528	16.8
133.10129	13.5
135.11655	22.4
137.13266	9.1
145.10106	14.9
147.11671	11.3
149.13220	15.8
151.14784	2.5
159.11658	12.3
161.13235	7.3
163.14769	11.3
172.33569	2.0
173.13239	14.8
175.14769	3.8
177.16364	5.9
179.14310	3.1
187.14719	11.3
201.16386	2.4
233.22592	4.3
243.20987	23.4
244.45381	1.9
261.22086	99.1
262.22360	2.9
279.23111	3.9
335.25806	18.2
353.26764	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	353.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57713	1.0
53.03931	3.0
55.05497	11.4
55.36787	1.4
55.42553	1.2
57.03413	4.1
57.07056	3.5
65.03922	1.3
67.05490	74.5
69.07066	8.8
70.05997	1.8
70.06397	2.9
70.67525	1.2
71.04965	2.2
71.08605	2.1
71.57383	1.2
75.04475	1.7
79.05474	38.3
81.07039	77.9
83.04942	1.6
83.08616	5.6
85.06510	2.1
86.70535	1.2
91.05459	21.2
91.82107	1.1
93.07021	50.6
95.04961	2.1
95.08587	55.8
97.06514	3.9
97.10127	2.8
99.08076	1.6
99.32182	1.2
102.41280	1.3
103.12192	1.2
105.07002	14.3
107.08575	32.1
109.10130	32.2
113.09603	1.8
117.07005	7.4
119.08553	11.8
121.10118	29.0
123.11677	17.4
125.09587	1.6
130.75119	1.2
131.08543	18.0
133.10091	12.0
135.11665	22.6
136.12012	1.7
137.09535	2.7
137.13220	4.6
139.11197	1.4
145.10098	13.8
147.11647	9.5
149.13232	16.7
151.14799	1.7
159.11652	13.2
161.13235	9.4
163.14806	11.5
165.12700	1.8
173.13239	12.6
175.14807	3.9
177.12787	1.5
177.16374	3.4
179.14310	1.3
187.14810	8.4
189.16438	1.6
191.14311	1.3
201.16350	2.5
205.16029	2.1
215.17987	1.7
233.22578	4.3
243.21034	26.0
259.53177	1.2
261.22076	100.0
262.22461	5.2
279.23166	4.5
335.25705	8.3
353.26804	37.7
354.27505	2.3
365.89688	1.4
373.67130	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2681
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
55.05499	17.3
56.23215	3.9
57.03416	7.2
57.07060	8.9
57.82536	4.3
67.05498	81.3
69.07042	18.9
69.97701	18.4
70.86812	4.2
71.08597	4.9
73.84680	4.1
79.05476	31.2
81.07040	100.0
83.04960	5.8
83.08598	13.4
89.06049	4.6
91.05471	18.7
93.07023	52.1
95.04928	5.8
95.08584	65.1
97.06523	5.7
97.78481	3.9
98.20769	8.1
100.07605	4.7
105.07023	21.9
107.08573	34.1
109.10142	34.4
117.06981	8.8
119.08542	18.3
120.59935	3.9
121.10131	31.7
123.11660	19.8
127.83650	4.6
131.08499	28.2
133.10092	15.1
133.28757	4.8
135.11684	22.2
137.13211	5.9
145.10085	18.9
147.11644	13.2
149.13214	18.7
151.09619	4.7
151.14809	6.6
159.11678	12.0
161.13258	9.9
163.14792	16.1
173.13249	14.9
175.14763	5.9
177.16353	6.9
187.14851	6.2
191.14334	4.7
195.04674	4.3
243.21066	26.1
261.22116	96.8
279.23138	5.8
335.25711	12.4
353.26657	36.9
353.32837	5.1
354.33655	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	353.2677
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
55.05500	16.0
57.03429	5.2
57.07054	5.2
65.03927	2.5
67.05495	95.3
69.07069	12.2
71.04989	2.0
73.62333	2.0
79.05484	35.1
81.07044	85.3
83.08601	7.9
85.06554	2.7
91.05472	20.3
92.64545	2.0
93.07030	52.4
95.04966	2.2
95.08593	71.3
97.06514	1.9
97.10178	3.0
99.08100	2.2
102.28709	1.8
105.07003	16.9
107.08567	29.0
109.10138	39.8
117.06997	6.8
119.08565	13.2
121.10118	28.8
123.11684	19.3
124.67319	1.8
131.08546	17.2
133.10120	12.1
135.11659	26.0
137.13222	7.1
145.10075	13.1
146.33238	2.2
147.11659	9.2
149.13249	18.4
151.14816	2.3
159.11667	14.1
161.13210	9.9
163.14810	11.9
165.12706	2.2
173.13243	16.9
175.14917	2.3
177.16386	5.3
179.14172	2.9
187.14833	10.3
205.15680	2.7
219.17326	3.2
233.22627	3.5
243.21054	27.4
261.22101	100.0
262.22449	2.9
279.23151	6.7
335.25690	19.1
353.26782	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29922	1.3
51.75277	1.2
53.03931	3.3
55.05499	17.0
55.77719	1.3
56.96832	1.2
57.03415	5.7
57.07051	4.1
61.12775	1.5
65.03918	3.2
67.05492	96.2
69.07050	14.2
69.86816	7.6
71.04964	2.9
79.05054	2.6
79.05483	41.6
81.07042	99.3
83.08594	9.5
85.06512	2.3
91.05463	21.7
93.07028	60.2
95.04953	3.0
95.08588	74.5
97.06509	3.0
97.10168	4.1
98.20811	2.3
99.08092	2.6
105.07011	19.2
107.08573	41.5
109.10130	35.9
111.08057	3.9
113.09619	1.8
117.06996	8.4
119.08555	14.8
121.10119	33.6
123.08076	2.4
123.11682	22.4
125.09596	1.6
131.08545	25.1
133.10098	12.8
135.11650	30.6
137.13249	6.6
141.23207	1.4
145.10095	18.5
147.11678	12.0
149.13245	24.2
151.11180	2.5
151.14832	2.1
153.12682	2.5
153.45137	1.3
159.11681	16.0
161.13211	11.0
163.14783	14.1
165.12706	3.5
173.13220	13.3
175.14793	2.4
177.12662	1.5
177.16345	6.3
179.14328	2.7
187.14751	11.0
191.14281	1.7
201.16341	2.3
205.15892	2.2
219.17445	2.1
233.22578	4.8
243.21027	24.7
261.22089	100.0
262.22440	4.5
262.78592	1.3
279.22998	3.5
335.25653	10.4
353.26804	32.0
354.27231	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.086
Annotation	4-Methylumbelliferone glucuronide
Peak:m/z	Relative Intensity
55.01865	0.8
55.05505	0.4
56.05023	0.4
61.02913	0.5
61.74878	0.3
63.02370	0.4
67.05491	0.5
68.84191	0.3
69.03407	1.2
69.07039	0.6
69.58228	1.2
69.58652	1.3
70.06581	2.3
71.01353	0.5
71.04988	0.4
72.08143	0.9
73.02884	0.3
77.03923	0.6
78.04681	0.4
79.05459	0.5
81.03392	0.7
81.07019	0.4
83.04959	0.3
84.04487	0.7
84.08128	1.9
85.02882	2.1
86.09679	1.4
87.00814	0.7
87.04457	0.6
88.02176	0.6
88.03997	0.4
89.03879	3.1
91.05463	5.2
93.07043	0.7
94.06539	1.0
95.01313	0.4
95.04935	0.9
95.08544	0.4
97.02859	0.5
98.06016	0.5
99.04471	0.4
100.07599	0.6
101.02335	0.5
102.05527	0.4
103.05455	2.3
105.01874	0.5
105.03400	0.4
105.07008	0.9
106.04194	0.4
107.04931	0.9
107.08564	0.4
109.02869	0.6
109.10122	0.5
110.06054	0.4
110.07130	1.0
113.02345	0.4
115.05457	0.7
117.03356	10.2
117.07031	0.3
117.97154	0.3
118.06512	1.0
119.04919	9.3
119.08588	0.5
120.08066	0.7
122.06007	1.1
123.04373	0.4
125.05952	0.3
127.03915	0.8
129.06967	0.3
129.10251	0.6
130.04961	0.5
131.04918	3.0
131.08508	0.4
133.02809	1.4
133.06483	0.4
133.10075	0.3
134.02695	0.4
134.03607	1.2
134.09592	0.4
135.04401	4.0
136.07571	0.5
137.05933	3.9
138.09128	0.4
140.07117	0.4
141.06744	0.3
143.04890	0.7
145.02817	22.7
146.03598	8.5
146.05981	3.2
147.04384	31.7
148.04745	0.9
149.05949	8.5
151.03903	0.9
153.05475	0.9
155.10625	0.3
157.02759	0.8
157.06456	0.5
158.06032	0.6
159.04408	3.3
159.09120	0.4
160.05212	0.8
160.07567	0.5
161.02315	1.7
161.05948	12.9
161.09586	0.5
162.03085	1.4
162.09099	0.9
163.03879	6.8
163.07521	1.0
164.07013	1.5
165.05435	1.1
166.03181	0.9
171.04395	0.5
173.05908	0.7
174.03058	1.2
174.05470	17.4
175.03831	0.8
175.07539	1.4
176.04681	0.7
176.06990	0.4
177.05437	63.2
178.05795	1.8
179.03355	0.9
183.04485	0.4
185.07156	1.9
187.03873	3.2
187.07585	0.8
188.07022	0.8
189.01808	0.9
189.05434	3.6
189.12654	0.7
190.12260	1.3
191.03360	4.0
191.06975	2.9
191.14259	1.7
192.06476	9.2
199.03917	0.5
200.04573	0.4
201.05443	1.1
202.02576	10.1
203.03178	1.2
203.06891	2.3
205.03088	0.4
205.04924	1.5
207.06473	1.0
208.00812	0.3
209.04251	0.8
212.07002	0.7
215.03374	2.8
216.04088	0.7
217.04919	100.0
218.05284	4.3
219.06454	7.8
227.06906	0.7
228.04155	0.8
229.04922	4.8
230.01952	0.5
230.05576	0.5
230.08032	0.4
231.06660	0.3
231.07446	0.4
232.08008	0.5
232.13257	4.8
233.04338	2.1
235.05907	0.7
243.06534	2.0
245.04410	13.9
246.04904	0.6
247.05948	8.4
248.06151	0.4
257.04379	0.4
265.06940	0.6
271.05966	0.6
272.09152	0.5
273.07486	0.8
275.05426	7.8
276.05814	0.4
276.12259	0.5
289.07150	0.8
290.10156	0.5
293.06497	10.6
294.06781	0.4
305.06525	4.8
311.09094	0.4
317.06329	0.4
317.11261	0.8
321.14178	0.9
335.07483	0.9
335.12360	1.3
336.11087	0.5
353.08627	6.5
353.13409	1.6
353.16812	1.3
353.32764	0.4
354.11804	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	352.3202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	12.9
55.05502	21.8
57.03416	3.1
57.07063	14.0
65.03905	2.0
67.05492	57.5
68.05821	1.3
69.03413	1.6
69.07058	32.7
70.06580	20.1
70.44754	4.1
71.04968	2.9
71.08620	12.6
72.08138	6.3
79.05479	16.2
81.07042	78.5
82.07388	1.1
83.04966	7.8
83.08607	27.3
85.06524	3.1
85.10159	3.0
91.05465	7.1
93.07029	18.1
95.04945	1.4
95.08591	72.6
96.08925	1.7
97.06510	6.7
97.10154	14.0
99.08076	2.6
103.89539	1.1
105.07001	3.3
107.08565	13.4
108.55732	1.2
109.06506	1.7
109.10135	34.7
110.10434	1.2
110.61289	1.1
111.08064	4.4
111.11700	4.9
113.09669	1.8
115.08665	31.5
117.06997	1.2
119.08547	3.8
121.10136	12.6
123.08044	10.8
123.11682	16.5
124.08398	2.7
125.09619	1.8
131.08556	3.8
133.10135	3.5
135.11658	7.8
137.13251	8.4
139.87321	1.2
141.12720	3.4
145.10098	2.0
147.11659	4.1
149.13213	4.8
151.11174	2.0
151.14818	3.3
153.12697	5.4
155.10579	1.3
159.11647	2.6
161.13210	2.9
163.14827	3.5
165.12688	2.0
165.16324	3.2
173.13266	3.2
175.14848	1.1
177.16330	2.2
179.14281	1.5
179.17859	2.0
180.90973	1.5
187.14799	2.9
193.19498	1.2
195.13803	2.2
195.17393	2.5
201.16400	2.3
205.15813	1.5
205.19548	1.1
209.15349	2.6
209.18993	1.8
221.18903	1.8
223.16895	3.9
226.18033	2.6
235.20285	1.5
237.18498	1.5
239.68671	1.0
251.19984	1.5
279.23178	2.0
289.28873	1.8
298.01157	1.2
299.27475	2.5
307.29950	4.7
317.28333	10.7
335.29370	100.0
336.29681	3.2
352.23438	2.2
352.32022	32.1
353.31775	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	352.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05451	1.6
57.03391	0.4
57.51142	0.4
58.06561	0.5
63.23787	0.4
67.05493	3.2
69.03367	0.8
69.07063	2.8
70.06573	2.0
71.04930	0.8
71.52251	0.7
72.08140	20.7
72.08527	1.0
78.43289	0.4
79.05411	1.6
80.03674	0.3
81.03384	0.8
81.07039	4.5
83.04952	0.8
83.08548	1.2
84.04438	1.4
84.08124	2.2
85.02857	0.5
85.06490	0.8
85.07653	10.1
86.06060	4.3
86.09612	0.4
89.05940	0.4
91.05399	1.5
93.07021	2.5
95.04904	0.8
95.08592	4.5
97.02856	0.6
97.06480	0.6
97.10105	0.6
98.08393	0.7
98.09618	1.1
99.29097	0.4
100.07550	1.7
105.07014	2.5
106.07289	0.6
107.04911	0.5
107.08508	1.3
109.02827	0.7
109.06441	0.7
109.10065	1.4
110.09570	0.4
111.04344	0.5
112.11198	0.8
114.09157	0.4
115.08623	0.5
117.06985	0.5
119.08557	1.9
120.08852	0.6
121.06441	0.4
121.10104	2.2
123.08000	0.4
123.09119	1.3
124.09933	0.8
126.05481	0.4
128.07048	2.1
131.08549	0.7
132.08018	0.4
133.08459	0.5
133.10048	1.0
135.11652	0.6
137.07076	0.4
137.09598	0.6
137.10635	1.2
137.13170	0.5
139.12219	1.7
140.10654	0.5
145.10080	0.9
151.08598	0.7
151.12196	0.7
155.11766	0.4
157.13301	1.3
163.11143	0.5
165.10207	0.8
167.06989	0.9
168.17473	0.6
170.08110	0.5
179.11833	0.7
179.14125	0.5
180.12430	0.6
181.13214	0.7
193.13297	0.8
194.19063	1.8
208.13269	0.9
209.12715	0.5
221.08061	0.5
235.21680	1.1
236.20024	0.7
236.91008	0.4
250.10777	0.6
250.21591	0.9
251.11670	0.5
263.21188	2.9
264.23032	0.4
265.22711	1.2
281.22186	15.5
282.22479	0.9
307.27393	3.2
335.26852	54.1
336.27191	4.9
352.18146	2.4
352.29514	100.0
353.11020	2.8
353.29755	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	351.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87991	1.3
53.03923	2.4
55.01858	2.4
55.05256	1.9
55.05499	24.1
57.03430	17.8
57.07050	4.6
59.04961	1.4
65.03925	3.8
65.33829	1.1
67.05490	62.1
68.48841	1.5
69.03407	2.9
69.07059	22.2
70.60038	4.1
71.04958	3.7
71.08219	2.5
71.08616	45.7
79.05476	50.2
80.05787	1.6
81.03387	6.1
81.07039	64.6
83.04956	10.4
83.08592	13.9
83.17885	1.4
85.06496	3.1
90.72092	1.4
91.04889	2.3
91.05462	38.2
93.07023	61.2
95.04943	10.9
95.07967	2.2
95.08584	44.1
97.06515	10.8
97.10165	7.8
97.10684	1.6
99.08070	29.3
105.07001	26.4
107.04942	7.5
107.08565	45.2
107.09286	2.6
109.06487	4.7
109.10132	26.6
111.08050	3.4
113.09603	3.5
117.06982	8.3
119.08549	24.2
121.06477	1.7
121.10114	32.2
123.08051	3.1
123.11680	4.6
124.29891	1.2
125.09573	2.9
129.06963	3.8
131.08565	8.9
133.10107	20.3
133.36198	1.2
134.10529	1.4
135.11659	39.6
137.05965	1.6
137.09589	3.6
137.13220	2.1
139.11122	1.7
140.98492	1.3
141.09048	3.5
143.08522	3.8
145.10100	8.4
147.07991	1.9
147.11662	14.2
149.09624	2.0
149.13216	17.9
151.11139	16.7
153.12686	1.8
157.10069	3.7
159.11647	8.8
161.13219	14.7
163.11140	7.0
163.14781	4.5
165.12662	1.8
167.10643	3.2
171.11655	5.2
173.13271	4.1
175.14783	4.3
177.12720	3.8
179.14273	95.7
180.14575	3.9
185.13196	3.2
189.11148	3.1
189.12735	3.5
198.79884	1.3
199.14694	4.1
213.16235	1.6
221.15289	2.5
231.17296	1.6
231.20929	2.6
235.16917	5.5
241.19453	7.9
259.20535	23.6
277.21567	54.8
278.21768	2.9
333.24207	2.6
351.25208	100.0
352.25409	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	351.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04208	0.9
50.35917	1.0
55.01848	1.0
55.05506	4.7
57.03426	2.1
67.05492	7.9
69.07053	4.3
71.04969	1.1
71.46085	2.3
75.04449	1.4
79.05497	5.0
81.07045	7.4
83.04963	0.9
83.08608	2.4
84.08138	1.6
86.09702	1.4
90.63315	1.0
91.05486	4.7
91.15081	0.9
93.07013	8.8
94.04174	1.0
95.05000	1.4
95.08584	4.8
97.42333	1.0
105.07024	4.5
107.08561	6.7
109.10150	3.4
111.08125	1.0
119.08562	5.4
121.10130	4.1
122.03634	2.4
123.11690	1.3
126.05443	1.6
130.43713	1.1
131.08534	2.8
133.10136	4.1
135.11656	4.4
137.05949	100.0
138.05382	1.4
138.06404	1.6
139.05841	1.8
145.10124	1.7
147.11649	3.4
149.13254	1.5
151.11156	1.0
157.10175	1.1
161.13295	2.2
169.06920	1.1
170.15361	1.9
171.11717	1.3
175.14850	1.4
182.15395	4.5
223.65506	1.0
241.19475	2.4
259.20422	5.7
277.21686	2.0
292.22632	1.3
306.20554	8.0
351.15457	1.1
351.25311	8.2
351.31360	1.4
352.24667	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	351.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	5.9
55.01862	1.7
55.05498	16.5
57.03429	8.2
57.07049	3.2
63.12645	1.6
65.03905	1.4
67.05493	46.5
69.07055	16.5
70.44112	3.8
71.04971	2.3
75.04440	2.4
79.05482	69.1
81.07040	51.4
81.07521	2.2
82.07393	1.8
83.04945	2.1
83.08598	10.2
85.06501	2.5
86.19444	1.4
91.05466	43.6
93.07027	93.9
95.04959	6.4
95.08592	38.0
97.05907	1.6
97.06514	4.0
97.10120	2.4
98.21446	2.0
99.08059	4.4
105.04427	1.4
105.07008	54.7
107.08575	51.4
109.06510	2.3
109.10139	19.2
111.08055	2.1
113.09591	2.1
117.06994	9.6
119.08562	45.6
121.10125	38.6
123.11681	4.1
129.06952	9.2
131.08530	19.2
133.10106	43.2
135.08064	2.0
135.11668	43.9
137.09589	2.0
142.81174	1.4
143.08556	5.7
145.10095	22.9
147.11659	45.5
149.09619	2.0
149.13231	26.3
157.10106	10.8
159.11665	19.7
161.09575	1.6
161.13220	30.1
162.13602	2.1
163.11157	2.7
163.14825	5.7
165.12779	2.6
171.11656	13.4
173.13228	9.8
175.11205	1.7
175.14790	15.8
177.12779	1.6
181.12204	1.5
185.13184	12.9
187.14761	2.9
189.12698	3.2
191.14360	2.4
199.14772	6.3
203.14372	2.0
213.16388	3.6
217.15807	2.1
217.19563	2.0
231.17474	3.2
231.21046	10.6
241.19495	37.7
244.09192	1.9
259.16458	2.1
259.17715	1.6
259.20532	96.9
260.20947	5.4
277.21509	17.6
333.24319	11.5
351.25232	100.0
352.25687	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	351.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	3.2
53.92310	1.1
55.01849	4.4
55.05269	1.7
55.05507	21.6
57.03432	32.0
57.07051	3.8
65.03938	1.7
67.05495	41.3
69.07059	21.7
69.95084	6.3
71.04971	4.1
77.19779	1.1
77.71484	1.0
79.05480	46.6
81.07044	63.0
83.04951	2.9
83.08609	16.4
85.06507	4.9
86.52930	1.1
91.05470	36.1
92.05772	1.6
93.07030	61.1
94.07368	1.4
95.04950	5.7
95.08597	44.1
95.46479	1.1
97.06515	7.4
97.10152	4.2
99.08072	3.7
105.07014	39.8
107.07867	2.3
107.08582	36.9
109.06487	3.8
109.10137	17.0
111.08046	5.6
113.09628	1.4
117.07005	10.5
119.08563	31.6
121.10126	31.4
122.10457	2.0
123.08009	2.6
123.11710	7.2
125.09579	2.7
129.06995	4.8
129.70599	1.1
131.08551	16.7
133.10117	31.3
135.08047	1.6
135.11679	27.6
137.09592	3.5
139.11218	1.9
143.08559	4.6
145.10109	12.3
147.11667	30.6
149.09514	1.9
149.13232	16.0
151.11160	1.3
153.29683	1.3
157.10094	4.3
159.11674	12.7
161.13220	16.1
163.11136	2.1
163.14818	5.8
165.12723	3.7
167.14288	1.4
171.11664	6.6
173.13243	8.9
175.14790	8.3
177.12682	1.7
179.14236	1.6
185.13274	9.2
187.14832	5.5
189.12735	1.6
199.14821	6.4
205.15837	3.5
213.16316	3.9
221.18903	2.4
231.21120	4.2
241.19466	19.1
259.20523	45.5
260.20837	2.0
277.21585	23.7
278.68668	1.3
288.92758	1.5
333.24210	7.8
351.25232	100.0
352.25537	5.2
352.64365	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.6
55.01863	3.0
55.05504	17.3
57.03426	9.1
57.07050	4.5
65.03909	2.8
66.71350	1.5
67.05495	52.9
68.05819	2.0
69.03380	3.1
69.07055	17.2
69.39678	8.3
69.40108	6.8
71.04964	3.5
71.08621	16.0
73.57056	1.5
75.04474	4.7
79.05484	54.8
80.05804	1.7
81.03404	4.8
81.07039	59.1
83.04951	6.8
83.08601	10.1
84.04469	2.1
84.08122	2.6
85.06514	4.0
86.09680	2.1
91.05463	53.9
93.07025	70.8
95.04943	9.2
95.08591	36.2
97.06522	5.0
97.10152	7.0
99.08067	16.4
100.07602	3.4
105.07005	61.2
106.07359	2.5
107.04929	3.2
107.07879	3.0
107.08579	46.4
107.37747	1.7
108.08886	2.1
109.06506	4.7
109.10133	15.5
111.08063	3.3
111.11691	1.5
117.06996	11.1
119.08559	48.9
120.08921	2.0
121.06480	2.7
121.09230	2.2
121.10114	32.6
122.10415	1.9
123.08047	2.9
123.11706	4.0
125.09573	3.7
128.06166	1.8
129.07016	9.8
129.27585	1.6
131.08546	16.1
133.10104	41.7
135.08025	3.7
135.11670	33.9
137.13194	2.0
138.05441	2.6
139.05844	2.1
143.08574	9.7
145.10086	19.3
147.11665	43.9
148.12027	2.0
149.09628	3.5
149.13229	18.1
151.11192	10.3
157.10100	8.4
159.11682	13.4
161.09615	2.0
161.13226	32.6
163.11168	6.4
163.14784	6.2
171.11658	13.9
173.13203	9.6
175.14777	15.8
177.12743	4.3
179.14302	6.8
185.13235	9.2
189.12703	3.4
192.45406	1.8
199.14789	7.3
203.14349	2.6
213.16446	2.7
215.17981	2.9
217.15958	2.0
217.19492	3.2
225.89450	1.9
226.67374	1.6
231.17435	2.1
231.21057	7.0
241.19485	29.7
259.20538	84.9
260.20871	4.5
277.21558	22.4
278.21887	2.7
333.24216	3.3
334.23984	2.0
341.88840	1.8
351.25256	100.0
352.25455	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	351.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	3.3
53.98168	0.9
55.01864	1.5
55.04341	1.1
55.05262	1.2
55.05503	16.4
57.03429	10.5
57.07040	3.1
59.05001	1.1
65.03925	1.1
67.05492	43.9
69.07054	15.2
69.33678	9.5
71.04972	2.7
71.08589	1.7
75.04453	2.8
79.05479	55.6
81.07042	54.5
82.07374	1.4
83.04941	2.8
83.08606	9.1
83.14236	0.9
84.04494	1.5
85.06513	2.3
91.04891	2.4
91.05463	47.6
92.05798	2.0
93.07027	80.5
95.04960	6.4
95.08591	34.7
96.08879	1.2
97.06496	4.1
97.10126	3.3
99.08057	4.0
103.05448	1.3
105.04508	1.3
105.07014	52.6
106.07333	2.1
107.08572	48.8
107.09299	2.4
108.08888	1.6
109.06501	2.5
109.10142	13.8
111.08009	1.9
113.09628	1.4
117.06995	12.0
118.45811	1.0
119.08559	46.5
120.08875	1.5
121.06489	0.9
121.10124	41.9
123.08018	2.9
123.11681	4.6
125.09618	1.3
128.06200	1.5
129.05449	1.3
129.06992	8.7
131.08553	17.0
133.10110	44.0
135.08086	1.5
135.11668	43.9
137.09631	1.6
139.05803	1.2
142.07761	1.2
143.08551	9.2
145.10104	17.2
147.11659	43.9
148.12016	2.2
149.09601	2.6
149.13237	28.1
151.11119	2.0
157.10115	9.0
159.11670	19.7
161.09572	1.9
161.11975	2.1
161.13235	34.6
163.11142	2.9
163.14784	7.9
165.12718	1.4
171.11664	11.8
173.13261	9.7
175.11212	1.8
175.14789	19.5
177.12735	3.6
177.16374	1.2
179.14313	1.1
185.13200	13.7
187.14836	3.8
189.12660	2.1
191.14273	1.5
199.14822	7.4
201.16496	1.1
203.14209	2.4
205.15614	1.2
213.16356	5.4
215.18013	2.1
217.19499	3.9
231.17377	2.9
231.21091	10.3
241.19470	37.0
242.19743	1.8
259.20532	94.6
260.20901	4.8
277.21564	16.5
303.78864	1.1
333.24197	10.8
351.25226	100.0
352.25577	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	351.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.6
55.01845	1.6
55.05503	16.9
55.80669	1.3
57.03428	6.9
57.07059	2.4
59.04053	1.2
59.59146	1.3
65.03921	1.6
67.05494	36.4
67.28848	1.1
69.07053	15.1
70.81449	3.7
71.04977	2.7
75.04457	3.2
79.05479	52.4
81.03374	1.5
81.07036	43.1
83.04976	2.6
83.08606	6.1
85.06516	2.6
91.04886	2.2
91.05460	55.6
93.07027	72.0
94.04714	1.3
94.07369	1.8
95.04929	7.6
95.08591	35.8
97.06526	4.3
97.10165	3.3
99.08056	4.1
103.05418	1.6
105.03393	1.2
105.04538	2.3
105.07008	55.5
106.18716	1.3
107.08568	41.1
109.06501	4.0
109.10131	11.8
113.09631	3.0
117.06974	10.9
119.08552	50.8
119.44621	1.3
120.08927	1.9
121.06505	2.3
121.10114	32.9
123.08108	2.4
123.11706	3.1
129.06946	8.2
131.08530	22.7
133.10101	47.9
135.08061	2.2
135.11659	32.3
137.09604	2.2
142.29054	1.3
142.32642	1.5
143.08524	9.1
145.10095	20.5
147.11655	48.6
149.09648	4.0
149.13225	20.2
151.11188	2.1
155.08556	1.5
157.10092	8.1
159.11662	20.3
161.13226	32.3
163.11206	3.9
163.14835	4.4
164.73195	1.2
165.12756	1.7
171.11685	12.8
173.13264	8.8
175.11185	1.9
175.14799	17.4
177.12726	3.2
179.14377	1.8
185.13243	13.4
187.14850	3.5
189.12796	3.0
189.16386	2.7
199.14717	6.5
203.14326	2.1
213.16368	3.2
217.15820	1.9
221.34531	1.3
231.17433	3.4
231.20956	10.9
235.51894	1.3
241.19470	34.7
259.20529	100.0
260.20975	3.6
261.21982	1.7
277.21719	6.1
306.96310	1.4
333.24417	3.9
338.73636	1.6
351.25342	79.4
352.25555	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	351.216
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43950	0.7
52.81768	0.6
53.03932	1.0
55.01853	8.2
55.05498	6.7
57.03427	6.4
57.07050	1.0
59.04998	0.6
65.03941	0.7
67.05490	14.4
69.03403	0.8
69.07050	6.6
69.45383	4.1
70.06573	1.4
71.04969	1.9
71.08611	1.4
73.02897	0.7
75.04477	3.2
79.05480	13.8
81.03416	0.8
81.07039	39.6
83.04968	4.3
83.08592	3.6
84.04494	1.8
84.08112	1.3
85.02872	0.8
85.04831	1.0
89.94827	0.6
91.05470	8.8
93.07025	13.4
95.04946	1.6
95.08585	10.7
97.06505	2.6
97.10145	0.8
105.07002	8.0
107.08583	8.8
108.60094	0.6
109.05804	0.9
109.06505	12.1
109.10138	4.0
111.04421	13.0
111.08045	2.7
115.08662	2.0
117.06989	1.9
119.08560	8.8
121.10113	9.1
123.08052	1.8
123.11668	1.9
125.05969	3.8
125.09570	0.9
126.05515	1.2
127.05822	1.5
129.06990	1.5
131.08551	3.8
133.10104	9.5
135.08032	2.7
135.11659	7.5
137.05951	100.0
137.09546	1.7
137.13245	1.8
138.05435	1.6
138.06354	1.2
139.05840	2.3
139.07465	0.8
143.08562	1.8
145.10094	3.7
147.08023	1.4
147.11661	8.8
149.01164	1.2
149.09608	4.2
149.13219	2.8
151.07516	2.7
151.11162	2.1
157.10080	2.6
159.11685	3.0
161.09583	4.1
161.13219	4.4
163.11169	3.3
163.14801	1.3
165.09128	1.9
165.12746	1.7
167.10695	1.2
169.06995	0.7
171.11690	2.0
173.13200	0.8
175.11124	5.2
175.14777	1.9
179.10658	1.8
181.12190	0.8
185.13269	1.5
186.07639	0.8
189.12694	1.4
193.12253	1.6
203.17917	5.8
204.08665	2.2
205.08974	2.5
205.19362	1.0
213.16376	3.4
221.18973	1.8
223.14740	1.1
231.17369	9.1
241.15916	1.6
241.19464	2.4
249.18460	10.8
259.20502	5.1
270.12949	1.3
277.17957	48.8
277.21405	4.2
295.18997	12.9
333.24487	0.7
351.15723	2.4
351.21558	19.9
351.25363	12.0
351.29904	1.2
351.65213	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	3.3
55.01854	5.3
55.05502	15.7
57.03424	10.6
57.07050	4.4
65.03930	1.9
67.05489	37.5
69.03408	2.6
69.07058	16.6
71.04967	3.2
71.08615	1.4
71.12389	2.5
73.06573	1.2
75.04445	2.2
76.84122	1.4
79.05476	56.0
81.03384	1.3
81.07040	62.0
81.07521	3.0
82.07397	1.8
83.04962	4.3
83.08605	8.6
84.04484	2.3
84.08109	1.1
85.06507	3.5
91.05463	45.7
92.05798	1.4
93.07028	87.3
94.07352	1.4
95.04940	5.0
95.08595	41.5
97.06502	3.6
97.10164	2.5
99.04408	1.4
99.08074	5.1
100.07515	1.4
101.06014	1.7
105.04545	1.7
105.07011	55.1
107.08573	49.4
107.25188	1.1
109.06487	7.7
109.10135	18.4
111.04434	8.4
111.08069	2.2
113.09592	1.7
117.06991	11.6
119.08555	41.6
121.10124	43.3
123.08105	1.8
123.11710	5.9
125.05917	1.6
128.06166	1.4
129.05476	2.3
129.06984	8.3
131.08556	23.1
133.10112	47.8
135.08032	2.7
135.11668	41.6
135.12711	2.6
136.12059	1.5
137.05959	53.2
137.09639	2.1
137.13249	1.7
139.05812	1.3
139.11180	1.4
142.07687	1.2
143.08537	10.0
145.10100	21.7
147.08102	1.7
147.11664	46.1
148.12006	1.7
149.09578	4.0
149.13231	26.2
150.13539	1.2
151.07544	1.8
151.11148	2.3
153.12706	1.5
157.10072	10.0
159.11658	20.4
161.09529	7.6
161.13228	33.6
163.11162	5.8
163.14813	8.7
165.12726	2.7
170.10767	1.4
171.11658	13.5
173.13190	9.1
175.11185	4.9
175.14801	20.2
177.12680	3.6
178.05441	1.3
185.13196	13.3
187.14752	4.4
189.12717	4.5
189.16357	2.1
193.12234	2.0
199.14751	8.1
203.14359	2.1
203.17952	3.4
213.16347	5.8
215.18010	2.8
217.15865	1.3
217.19426	6.4
221.15326	1.5
231.17418	8.1
231.20993	10.7
241.19453	34.6
242.19911	2.7
249.18515	5.4
259.20529	100.0
260.20859	5.1
277.17944	21.0
277.21591	15.1
295.19000	7.0
333.24133	12.1
351.21552	9.9
351.25262	95.6
352.25659	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	351.2134
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
55.05485	0.6
57.03399	0.3
60.04504	0.4
67.05486	0.9
67.10078	0.3
69.03405	0.8
69.07047	0.8
70.06560	0.3
71.04940	0.3
71.08636	0.3
71.18954	0.6
72.08128	0.4
73.02892	0.4
79.05479	0.8
81.03401	0.6
81.07039	1.1
83.04958	0.5
85.02872	0.6
85.36772	0.3
91.05466	0.7
93.07034	1.3
95.08569	1.0
95.63311	0.2
97.02876	0.5
99.04412	0.3
99.08080	0.3
105.07016	2.0
107.08553	0.8
109.02827	0.4
109.06499	0.4
109.10132	0.3
111.04417	0.4
119.08540	0.9
121.06451	0.3
121.10120	0.6
127.03863	0.3
131.08516	0.4
133.10065	1.3
135.08028	0.4
135.11665	0.4
137.05914	0.3
145.10085	0.6
159.11685	0.5
161.09637	1.3
163.11104	0.4
171.11661	0.4
173.13200	0.4
179.10690	0.3
189.09134	0.4
277.21539	0.6
281.13599	0.5
333.20169	0.5
335.26761	0.4
339.74191	0.3
351.21347	100.0
352.21228	2.4
352.24991	0.9
352.29282	0.5
372.34058	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.3
55.01862	2.3
55.05488	4.9
56.05003	1.6
57.03435	1.9
60.04513	2.2
61.02913	1.6
63.93348	1.3
65.03933	2.1
67.05492	7.6
67.73941	1.2
68.05000	1.7
69.03420	8.9
69.07063	8.7
70.06580	13.1
71.04980	3.1
71.23405	3.8
72.08144	8.7
74.06056	2.0
79.05463	5.2
81.03407	3.9
81.07023	4.5
83.04955	4.9
84.04487	6.2
84.08125	11.6
85.02870	5.7
85.06551	1.7
86.09689	14.0
87.04458	10.0
88.02193	3.7
91.05466	7.0
93.07032	6.3
94.06554	17.0
95.01302	1.7
95.04934	7.1
95.08572	1.7
97.02869	3.4
97.06500	2.6
98.06041	1.7
98.09668	2.1
99.04421	3.2
100.07601	2.8
102.05499	1.9
105.07004	5.4
106.06517	9.6
107.04921	5.4
107.07312	1.7
107.08543	3.0
108.08086	1.7
109.02869	2.7
109.06512	3.3
109.10143	2.1
110.06019	3.7
110.07133	1.7
111.04432	2.8
111.08079	2.2
112.03963	1.5
112.07576	3.3
112.11178	2.0
113.05991	3.3
116.07062	2.6
119.04921	1.9
119.08544	4.7
120.08067	11.6
120.08851	2.4
121.02838	2.2
121.10132	2.0
122.06006	43.0
123.04414	3.4
124.07580	6.4
125.05999	2.9
127.03904	1.5
129.07150	1.7
130.05028	1.5
130.06479	2.6
131.04926	2.0
131.08510	2.0
132.08089	6.7
133.06461	1.8
133.10115	2.8
134.02628	2.0
134.06003	20.4
135.03305	2.1
135.04388	18.5
135.06712	1.8
135.08047	2.4
136.07544	4.9
137.09619	2.3
138.05475	2.7
138.09076	3.0
139.03925	2.1
140.07037	65.2
143.08461	2.4
145.08832	1.7
145.09966	2.0
146.09604	1.4
147.04353	4.2
147.08041	3.2
147.11696	2.0
148.07541	71.5
149.06033	1.8
150.09109	2.2
152.07033	5.6
153.05461	5.3
153.09077	2.6
154.08566	2.6
155.08531	1.6
155.10649	2.6
159.11348	4.6
160.07497	2.2
160.11191	9.3
161.05908	7.7
161.09612	2.3
162.05409	1.8
164.07039	1.6
166.08611	50.3
167.06985	7.9
173.11717	2.6
175.08640	1.6
176.07004	9.5
177.05432	2.6
178.12265	3.0
180.06538	3.9
184.07454	1.7
186.09062	3.0
187.10887	2.6
188.10657	16.4
189.09048	2.9
194.08095	100.0
198.09222	2.0
199.06255	2.9
200.07034	4.1
200.10715	2.3
201.07697	2.8
202.08586	4.2
203.06981	3.1
204.10143	2.1
206.11732	28.9
207.07727	2.3
208.06056	2.3
208.07924	1.9
210.09114	4.2
212.07002	1.9
213.07730	6.6
214.08589	2.0
216.10149	5.3
218.11847	1.5
226.08490	2.9
227.11751	7.0
228.10150	25.0
230.11731	2.6
232.09653	17.8
246.11266	8.7
256.09601	20.9
259.13348	3.2
269.12802	2.9
273.12268	2.5
274.10687	96.5
275.10956	2.2
287.13821	18.3
288.12241	30.6
291.10229	2.2
291.13174	9.9
292.11713	44.8
301.11716	1.9
305.14746	3.7
306.13361	28.1
308.16077	2.0
315.13315	21.5
319.12830	44.0
320.13162	1.7
333.10938	2.8
333.14343	8.4
337.13852	14.1
350.45605	1.3
351.15298	11.4
351.31107	5.0
352.12753	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	351.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13282	0.4
53.97738	0.4
55.01858	0.5
55.05496	1.1
56.05025	2.5
57.07073	0.5
58.99583	0.7
60.04522	1.2
61.01179	0.5
65.30386	0.4
67.05492	1.8
68.05019	0.5
69.03430	1.2
69.07065	0.8
70.02932	0.4
70.06579	6.5
71.04977	0.8
71.51395	0.8
72.08150	4.2
73.02921	0.5
79.05482	1.5
81.03400	0.9
81.07040	1.7
82.06570	2.1
83.04965	1.1
83.07355	0.7
84.04487	1.3
84.08132	100.0
85.02891	1.2
85.08463	1.2
86.09702	4.8
87.02692	0.5
87.05575	0.7
87.07825	0.4
88.02197	1.1
88.03983	0.7
89.00611	2.1
91.05472	1.6
93.07019	2.0
95.04974	1.4
95.08606	1.7
97.06555	0.4
98.06052	0.5
100.07600	2.0
101.04229	25.7
103.05476	0.4
104.05363	0.6
104.98325	0.6
105.07001	0.7
106.05058	0.7
107.04956	0.9
107.08604	0.9
109.02839	0.6
109.06493	0.7
109.10208	0.6
110.06018	1.2
110.07144	1.4
115.05775	0.7
116.07108	0.5
119.04932	1.0
120.08107	3.0
121.02832	0.8
121.06467	1.0
122.06030	0.6
123.08068	0.4
125.04163	1.0
127.03905	0.7
127.05784	3.0
128.07066	1.1
129.10210	2.2
130.04996	0.6
130.06516	0.5
130.08609	7.7
133.06178	0.4
136.07520	1.2
137.05972	0.7
140.07005	0.9
143.08153	0.8
145.01425	0.4
145.02815	2.0
145.06496	0.5
146.05988	0.9
147.04399	1.8
147.11269	2.6
149.05945	0.6
152.07039	0.6
153.08977	0.5
157.08630	0.6
159.02887	0.7
161.06032	0.6
166.08563	0.7
167.07074	0.5
170.06010	0.7
172.05975	0.6
175.11743	0.4
177.04037	22.2
177.05475	3.4
186.05405	0.5
187.02385	1.6
189.10225	9.6
191.08401	0.7
205.03506	6.5
206.15434	0.8
207.03145	0.5
213.10268	0.6
220.11737	0.6
227.08102	0.5
231.11275	0.6
237.83725	0.5
255.11131	1.0
259.10760	0.6
260.11539	1.3
270.09845	3.1
271.19452	0.4
287.09973	0.5
288.10828	22.7
289.11124	0.9
297.08215	0.5
301.11768	1.6
305.13754	0.5
315.09546	0.9
319.12866	4.1
333.09833	0.8
333.13507	1.4
350.73901	0.9
351.14008	72.0
352.14597	2.3
367.68179	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30833	0.4
55.01862	1.0
55.05510	2.2
56.05030	0.8
56.68187	0.4
57.03432	0.7
58.99583	3.9
60.04538	0.6
61.01139	2.3
65.49540	0.5
67.05511	1.3
69.03420	1.1
69.07057	38.5
70.06581	4.5
70.07396	1.1
71.04971	0.7
71.10242	0.8
71.10582	0.9
72.08151	3.0
74.06069	0.6
76.02211	5.7
79.05492	1.4
81.03412	1.1
81.07047	2.7
83.04968	6.0
84.04494	1.7
84.08138	3.8
85.02882	1.6
86.09698	6.1
86.99028	2.7
88.02201	100.0
89.02557	1.2
91.05440	1.1
93.07034	1.2
95.04961	0.5
95.08580	0.8
97.02887	0.6
97.06528	2.3
100.07608	1.4
105.00066	3.1
105.07033	0.6
106.05009	0.8
107.08569	0.8
109.06512	1.3
109.10126	0.9
110.05964	0.5
110.07140	1.5
112.08755	0.5
117.03343	0.8
119.04929	0.8
120.08083	1.4
121.02857	0.8
122.02711	25.0
122.06013	0.6
123.08048	0.5
129.10237	1.9
130.04964	0.5
134.02692	89.1
135.02989	1.2
136.07550	0.7
138.09177	0.4
140.07051	0.9
143.11780	1.0
145.02818	1.5
145.06482	0.5
147.04398	1.1
149.05905	0.6
154.08560	0.5
157.08585	1.5
161.06050	0.7
162.05522	0.7
163.03951	0.6
164.07028	0.8
166.04927	0.6
170.06027	1.5
171.13794	1.4
172.07848	3.8
175.09705	0.6
177.05453	2.7
179.07040	0.5
184.07927	3.9
184.09531	0.8
189.10268	0.9
190.05019	1.4
200.07466	2.7
200.09125	0.5
201.10484	0.5
202.08640	0.6
215.11803	1.0
218.08421	33.9
219.08757	1.7
219.11087	0.5
229.15414	0.7
230.08435	24.4
231.08739	0.9
247.02397	0.6
247.11575	1.9
255.04640	1.6
273.09302	0.6
291.10699	1.8
302.10056	1.7
315.09207	0.6
315.13336	1.1
319.12814	0.8
325.48901	0.6
333.10913	1.1
333.14468	1.5
334.12747	2.3
351.10397	10.2
351.15457	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	350.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	2.6
57.07064	100.0
59.04992	14.3
60.08998	1.5
63.01954	1.3
63.58988	1.3
64.64365	1.4
67.05487	2.0
69.07037	4.2
70.06573	1.2
71.08618	83.3
71.53458	1.7
81.07039	3.2
85.10167	69.9
87.04453	12.5
89.06010	20.3
93.07013	2.3
93.09557	1.4
95.08569	3.2
99.11696	10.3
103.03939	9.2
107.07086	2.2
107.08538	1.9
113.13264	5.0
121.04948	2.0
130.08582	1.8
133.08571	6.7
141.16338	2.1
151.09630	36.5
155.17923	5.5
171.11920	2.2
179.09209	1.5
199.20593	3.7
213.22043	4.9
230.85597	1.4
236.24686	1.4
257.24838	2.6
291.23187	1.5
333.26462	2.1
333.29907	15.4
350.27493	2.6
351.23245	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	350.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38354	0.5
53.03945	1.1
55.01866	1.1
55.05506	4.0
56.05023	5.6
57.03432	1.9
58.24289	0.4
60.04515	98.6
61.02925	0.6
67.05494	9.0
68.05022	0.8
69.03419	5.0
69.07061	4.3
70.04111	0.8
70.04506	1.5
70.06583	2.7
71.04984	1.7
72.04510	1.9
72.08131	0.7
73.02906	1.0
74.06074	2.2
79.05482	4.4
80.04994	1.3
81.03406	1.8
81.07046	10.3
82.06583	1.5
83.08600	2.0
84.04502	0.5
84.08134	1.7
85.06535	0.9
86.06042	1.0
86.09715	0.7
88.04004	0.5
90.05528	1.2
91.05474	3.9
93.07026	5.0
94.06560	2.4
95.04945	1.2
95.08591	7.9
96.08108	1.5
97.06512	0.9
97.10150	0.6
98.06036	0.6
99.04442	1.4
100.07635	0.9
100.11189	0.8
105.07020	2.3
107.08572	3.4
109.06507	0.8
109.10152	4.3
113.05984	0.5
116.07049	0.7
117.61534	0.5
118.06541	1.8
119.08570	2.5
120.08070	1.7
121.10127	3.5
122.05994	0.9
123.11629	1.4
124.07579	1.0
128.38344	0.6
130.06503	0.8
131.08536	1.3
133.10101	1.9
135.11681	2.2
137.09587	0.7
137.13235	0.7
140.07036	0.8
144.56674	0.6
144.58127	0.5
145.07607	6.0
145.10118	1.4
147.08334	0.4
147.09155	11.7
147.11656	1.0
149.13205	1.0
152.07062	0.6
157.07663	0.9
159.09177	5.2
160.09869	1.0
161.13170	0.7
173.07118	1.2
180.10233	0.6
185.10736	1.4
187.12341	0.7
189.10367	0.9
191.08118	48.6
192.08441	2.8
208.09781	0.7
211.74684	0.6
213.10219	0.5
215.11874	0.6
216.07637	4.6
219.11206	0.6
229.09706	0.5
233.22324	0.5
234.21873	0.7
239.97980	0.5
243.11292	0.8
248.23698	1.6
252.23167	0.8
260.23758	2.4
261.22247	0.6
263.13785	3.8
266.24695	1.7
278.24756	7.7
289.11688	1.6
296.25778	10.2
307.12814	22.6
308.13095	3.1
314.26871	10.9
315.13315	0.6
315.27084	0.7
332.27896	29.6
333.28308	1.6
350.13397	33.1
350.28946	100.0
351.13770	4.2
351.29349	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	350.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.0
55.46892	0.6
57.03410	0.9
61.02901	1.9
65.03928	5.7
68.99768	1.2
69.03406	2.8
69.99342	1.2
69.99753	2.8
70.06559	3.0
71.04961	0.7
72.08125	1.6
73.02886	0.9
81.03405	1.6
82.39956	0.6
83.04952	3.0
84.04490	1.1
84.08151	3.4
85.02890	11.8
86.09665	1.5
87.04443	0.6
91.03944	0.9
93.03371	2.6
97.02882	3.4
99.51664	0.7
109.02874	1.2
111.04421	27.1
121.03986	1.6
125.05891	0.9
127.03860	2.4
130.06517	0.7
130.08618	2.6
131.08943	2.2
139.03873	64.6
140.04204	0.7
145.04906	2.2
156.04111	1.5
158.07961	0.9
170.08209	1.1
171.06490	100.0
172.06813	1.3
177.05437	1.0
180.08607	1.6
188.03772	1.7
188.09236	1.3
217.13542	0.8
221.12103	1.3
254.26878	0.6
350.14963	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.0
55.01852	6.3
55.05502	3.9
56.05026	1.5
57.03409	3.7
60.04528	1.8
67.05485	6.9
69.03409	5.9
69.07047	2.9
69.67709	10.3
70.06577	22.6
71.04978	1.3
72.08146	12.5
72.15207	1.4
73.02905	32.9
76.02213	1.6
79.05473	16.2
81.03390	1.7
81.07044	7.0
83.04974	4.4
84.04486	5.1
84.08125	6.7
85.02893	5.4
86.09698	16.1
87.05576	2.5
88.02212	1.4
88.03974	3.1
91.05466	35.6
93.07026	59.9
94.06535	2.6
94.07339	1.7
95.04954	5.6
95.08592	14.9
97.02896	3.7
102.05524	3.7
105.04549	1.5
105.07013	6.1
107.04932	2.9
107.08564	7.5
109.06497	2.4
109.10124	3.6
110.07156	2.2
111.04414	6.0
112.11259	1.7
113.06021	1.5
115.03901	3.5
115.05435	1.9
116.07073	8.3
117.07002	6.2
119.08561	100.0
120.08092	9.7
120.08860	2.8
121.06592	1.6
121.10124	9.6
122.02721	1.8
122.06012	7.6
123.04430	5.9
128.06229	2.6
128.07083	5.3
129.05487	3.9
129.06978	6.8
130.05011	2.1
130.06531	2.3
133.10112	3.4
134.06006	2.5
135.04407	2.1
135.08025	4.0
136.07532	3.4
137.05963	3.2
137.09586	13.7
140.07040	7.7
145.02872	2.8
147.08015	61.5
148.06032	2.5
148.07541	7.0
148.08527	1.8
151.07414	2.2
153.09081	19.8
160.05136	1.8
161.05971	8.2
161.09563	2.0
164.07112	2.3
165.09081	94.9
166.08517	1.6
172.07565	1.7
175.07520	4.6
177.05434	6.7
182.08107	1.9
183.10115	6.9
188.10626	1.7
194.08116	7.4
203.07010	2.4
206.11641	2.3
207.11293	1.7
219.83893	1.5
220.06418	2.5
227.14102	2.1
232.09666	2.3
256.09674	2.5
274.10715	9.6
279.12411	1.8
288.12170	2.0
292.11713	3.9
315.13452	1.8
319.12787	3.7
328.11539	1.5
337.14069	2.1
350.12775	3.0
350.16678	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	350.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.7
55.01850	1.4
55.05495	1.6
56.05019	1.8
57.03423	17.8
60.04506	2.3
61.02914	1.3
67.05486	2.0
69.03415	1.7
69.97713	5.2
70.06568	1.6
71.04965	3.9
73.02892	8.6
75.04465	71.7
79.05473	1.9
81.03397	2.9
81.07028	3.1
82.93354	0.8
83.04966	3.5
84.04487	42.4
85.02876	9.2
93.07014	1.1
95.08579	1.8
96.04475	12.7
97.02869	3.1
98.06034	7.5
98.20819	1.2
105.07367	4.5
107.08579	0.9
109.02869	3.2
111.04427	1.3
111.08051	1.2
119.08480	1.1
124.03947	1.5
126.05489	60.3
127.03888	1.7
129.05435	3.5
133.10359	3.6
137.05962	1.2
138.05470	100.0
139.05708	1.2
142.10214	1.0
144.06529	18.4
149.01155	1.5
162.07545	0.9
168.06523	30.0
171.11951	3.9
186.07568	25.5
194.77235	1.0
204.08632	65.7
205.09073	1.5
218.15785	1.2
228.05525	1.2
270.12946	2.0
276.20377	1.2
350.14447	2.3
350.24323	1.6
351.15649	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.273
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.05499	3.7
57.03416	0.4
57.07071	1.8
67.05490	3.5
69.03411	0.4
69.07053	6.7
70.99846	0.6
71.04967	1.2
71.08614	0.7
73.06527	0.4
79.05480	2.4
79.92191	0.3
81.07040	6.0
83.04962	0.7
83.08598	2.8
85.06491	0.7
91.05457	1.3
93.07020	3.8
95.04966	0.4
95.08584	6.2
97.06519	1.6
97.10123	0.8
97.82323	0.3
99.08121	0.5
105.07005	1.5
107.08556	3.7
109.06494	10.1
109.10140	2.9
111.08059	1.6
117.06998	0.4
119.08567	2.6
121.10125	2.9
122.07286	0.7
123.08038	51.9
123.11625	1.5
124.08372	1.0
125.09596	0.5
131.08502	0.7
133.10089	1.8
135.08028	3.7
135.11681	1.4
136.08780	0.4
137.09601	2.8
137.13228	0.4
145.10121	1.0
147.11621	1.7
149.09572	0.8
149.13217	0.9
151.11075	0.4
159.11646	1.0
161.13246	1.1
163.11145	0.4
163.14816	0.3
165.12721	0.8
167.14339	0.4
173.13243	0.4
173.72231	0.3
175.11090	0.3
175.14789	0.6
177.12717	0.3
179.14270	21.8
180.14592	0.7
193.15842	0.5
203.14113	0.3
220.42848	0.3
233.18971	0.9
247.20325	0.3
275.20020	1.3
289.25339	0.7
291.88080	0.3
293.21042	12.5
294.21451	0.8
303.26843	0.5
307.22571	0.7
331.26245	2.7
349.27289	100.0
350.27621	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	349.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	0.7
55.05496	1.7
57.03431	0.6
57.07065	95.0
58.07412	0.9
59.04991	17.9
63.54853	0.5
65.03011	0.4
65.58804	0.4
67.05497	1.3
69.07065	2.7
69.59634	0.4
69.90948	2.4
71.08618	100.0
72.08961	1.5
79.05477	0.9
81.07045	1.7
83.08624	2.9
85.10166	90.9
86.10491	1.3
87.04451	0.5
89.06012	23.4
91.05450	0.8
93.07034	1.0
95.08569	1.2
97.10164	1.6
98.20840	0.5
98.21379	0.9
99.11714	10.3
102.34305	0.4
103.07568	2.3
107.07032	1.5
107.08600	0.6
109.06495	1.9
109.10094	0.4
111.11694	0.6
112.60292	0.4
119.08550	0.5
123.08056	3.9
125.13254	0.4
130.08623	0.8
133.08582	17.1
133.10120	1.0
135.08064	0.6
139.81757	0.4
141.16364	7.6
142.16699	0.4
151.09633	12.1
179.10663	0.8
179.14284	6.0
182.19128	0.4
191.12737	0.9
195.12206	2.6
199.20531	6.0
209.13788	1.2
230.07014	0.4
243.23251	0.6
293.20963	0.6
331.25964	0.8
349.23434	0.7
349.26956	8.0
350.27466	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2729
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
51.19299	0.5
55.01863	0.5
55.05310	0.4
55.05506	4.5
57.03412	0.4
57.07052	1.4
62.02220	0.4
67.05499	3.6
69.07060	7.8
69.46884	3.5
71.04976	1.1
79.05472	1.8
81.07040	6.3
83.04986	0.5
83.08609	3.8
85.06519	0.5
86.63972	0.4
89.22871	0.4
91.05463	1.2
93.07047	3.8
93.71827	0.4
95.08594	6.0
97.06509	1.9
97.10135	1.0
105.07005	1.6
107.08562	3.8
107.29267	0.5
109.06497	8.3
109.10148	3.2
111.08057	1.9
117.07008	0.7
119.08538	2.7
121.06488	0.5
121.10107	2.7
123.08047	48.8
123.11672	1.6
124.08403	1.3
125.09498	0.5
131.08554	1.0
133.10117	2.6
135.08022	3.5
135.11659	1.8
137.09634	3.2
137.13266	0.7
145.10104	1.1
147.11647	1.1
149.09602	1.0
149.13237	1.6
151.14746	0.5
158.28857	0.5
159.11693	0.8
161.13226	1.1
163.11127	0.6
165.12634	0.8
179.14275	5.0
201.79089	0.5
226.25600	0.4
233.18991	0.6
242.64815	0.4
262.20575	0.5
275.20108	1.6
293.21057	13.5
294.21512	0.9
303.26779	0.7
307.22589	0.9
331.26233	2.5
349.27313	100.0
350.24057	0.3
350.27640	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	349.2367
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
50.72748	1.6
52.07530	1.5
53.03934	7.7
55.01865	13.9
55.05503	41.0
57.03431	17.7
57.07047	3.6
59.04987	3.1
64.19828	1.8
65.03922	3.2
67.05493	60.9
69.03396	4.2
69.06738	2.1
69.07059	30.4
69.29199	1.5
70.22251	6.7
71.04962	3.8
72.98974	1.7
74.78344	1.6
79.05003	2.2
79.05479	91.0
81.03400	10.5
81.07043	100.0
82.07391	2.1
83.04965	22.9
83.08191	1.8
83.08608	16.2
85.06504	3.1
91.05466	49.1
93.07026	67.3
95.01277	6.1
95.04965	15.1
95.08587	33.1
97.06507	12.8
97.10155	12.9
99.08049	2.4
103.05367	1.9
105.07007	46.1
107.04935	25.6
107.08573	59.0
109.05803	2.9
109.06503	35.7
109.10137	21.7
111.08043	7.1
112.31802	2.0
117.06993	15.3
119.08560	35.4
121.06454	6.2
121.10105	22.0
123.07996	5.8
123.11677	5.6
125.09607	12.0
129.06955	2.6
131.08546	24.3
133.10114	31.8
135.07999	9.0
135.11707	11.4
135.20926	1.9
137.09573	4.1
137.10638	1.5
141.06892	2.6
143.08620	4.2
145.06432	2.0
145.10098	17.0
147.08014	2.8
147.11682	16.5
149.09584	41.7
149.13190	7.4
155.08617	1.9
157.10086	4.5
159.11662	16.8
161.13205	6.0
163.11130	6.8
163.14792	4.0
163.81558	1.7
165.12801	1.6
169.10068	4.8
169.12167	3.4
171.11615	2.4
173.11746	3.4
173.13181	3.9
175.40332	1.7
177.12729	3.7
179.14194	9.5
183.11588	2.5
184.31737	1.6
185.13225	1.7
187.11101	4.9
187.13162	2.6
187.14760	2.3
189.11156	6.4
189.12704	1.7
191.14290	2.5
201.16327	2.3
206.94684	1.8
209.15318	6.0
215.17815	1.9
220.17506	1.7
229.15660	1.6
229.19489	5.0
239.17918	2.7
247.20552	5.9
257.19037	13.8
275.20004	77.4
291.19363	1.8
331.22690	2.1
339.48495	1.7
349.19788	8.8
349.23636	76.3
349.27191	3.1
349.33530	3.3
350.23428	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	349.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33382	1.5
53.03933	15.3
55.01864	18.6
55.05502	22.9
57.03419	19.0
57.07066	3.0
59.04959	1.7
60.44361	1.5
62.73865	1.3
65.03909	3.8
67.05491	75.6
69.03404	4.3
69.07053	67.8
70.06546	1.9
70.86197	2.8
70.86548	2.3
71.04955	5.4
73.06545	2.4
73.60403	1.6
73.86806	1.5
75.04462	11.3
79.05005	1.6
79.05474	57.3
81.03401	35.4
81.07039	98.5
82.07371	2.2
83.04963	19.1
83.08609	13.5
84.04472	6.1
84.08102	1.9
85.02867	2.3
85.06515	3.2
91.05461	73.1
92.05805	1.5
93.07026	60.6
94.07359	2.8
95.01316	24.4
95.04953	22.7
95.08589	59.4
96.04508	2.1
97.06512	28.8
97.10130	5.8
99.08072	2.8
102.81816	1.9
103.05415	3.9
105.07007	84.5
106.07339	4.4
107.04932	44.5
107.08573	28.1
109.02846	2.1
109.06499	17.6
109.10138	12.5
111.04403	2.6
111.08060	3.3
115.05408	2.3
116.06203	1.6
117.06985	27.8
119.08554	49.9
121.06499	6.0
121.10120	15.7
123.04395	3.9
123.08031	11.7
123.11684	4.0
125.09612	3.3
126.05502	7.8
129.06981	4.9
130.07722	1.7
131.04959	1.6
131.08546	38.8
132.08867	2.2
133.06425	1.8
133.10101	62.0
134.10422	1.8
135.08057	5.7
135.11668	13.3
137.09599	2.9
138.05490	11.4
138.54652	1.3
139.07524	1.6
141.06937	3.7
143.08540	5.5
145.06462	7.0
145.10086	29.2
147.08032	2.6
147.11655	29.1
149.09596	9.4
149.13222	11.1
151.11119	5.8
155.08505	3.3
157.10112	5.1
159.08029	2.4
159.11664	23.4
161.09636	2.1
161.13220	7.1
162.96974	1.5
163.11131	6.6
165.09077	2.8
168.06505	2.7
169.10118	5.0
171.11713	7.0
173.13239	6.7
175.14795	2.0
176.85986	1.7
177.12743	8.3
179.14272	34.1
180.14500	1.4
183.11636	3.7
186.07555	3.5
187.11147	8.5
187.14775	1.9
189.12694	1.9
195.13788	2.0
197.13171	3.9
201.12715	2.9
204.08682	10.8
205.12163	2.0
207.13776	1.8
229.19443	2.1
233.15343	2.1
233.18546	1.4
239.17850	4.1
241.14293	2.9
247.20573	5.9
257.18988	11.1
275.20010	100.0
276.20337	5.3
293.20880	2.4
295.49915	1.5
349.23676	87.0
350.23752	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	349.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38357	0.8
53.03927	1.6
55.01845	3.4
55.05500	11.0
56.96551	2.4
57.03154	1.0
57.03425	15.8
57.07056	3.2
59.04977	1.3
67.05491	24.0
69.03398	2.3
69.07056	18.8
70.44914	2.8
71.04974	2.5
73.02866	1.1
75.04459	6.8
79.05473	18.6
81.07043	31.9
83.04964	8.8
83.08607	7.0
84.04478	3.8
85.02888	1.4
85.06520	1.0
89.71781	1.0
91.05456	17.0
93.07023	28.0
95.04945	7.4
95.07983	1.0
95.08589	19.9
95.09180	1.9
97.06504	3.7
97.10151	3.6
105.07007	24.2
105.07685	1.6
106.07311	1.0
107.04922	9.2
107.08569	18.0
109.06496	12.8
109.10143	9.1
111.08031	2.0
112.87238	0.8
116.36949	0.9
117.07015	7.1
119.08562	13.8
121.06481	11.3
121.10126	7.8
123.04456	0.9
123.08038	4.8
123.11669	3.3
125.09643	1.0
126.05499	6.3
129.06973	2.8
131.08536	16.2
133.06438	3.7
133.10103	18.4
135.08064	5.3
135.11626	5.9
137.09540	2.2
138.05466	8.3
141.06940	1.6
142.07808	1.0
143.08540	3.5
145.06454	2.0
145.10088	11.7
147.08047	2.3
147.11658	10.7
149.09558	7.2
149.13217	3.2
151.11195	5.8
155.08527	1.5
157.10094	4.0
159.08064	2.1
159.11642	7.8
161.09621	3.6
161.13237	3.1
163.11111	5.9
165.12711	1.0
168.06538	3.6
169.10039	2.4
171.11690	2.6
173.09572	2.7
173.13223	4.8
175.11121	2.9
175.14809	1.1
177.12727	2.2
179.14288	2.5
183.11658	1.9
185.13164	1.5
186.07626	2.0
187.11050	1.4
187.14809	1.2
189.12679	1.4
190.04906	0.9
191.14261	2.2
197.13229	2.2
199.14716	1.5
201.12695	2.5
204.08592	7.1
207.13786	3.4
213.07928	1.7
213.16295	1.3
215.17879	2.3
217.07489	1.0
218.81613	0.9
219.13742	2.3
229.07455	4.0
229.19479	2.9
231.08932	2.5
239.17844	2.1
247.08586	2.4
247.20590	4.2
257.18988	14.3
275.20004	100.0
276.20300	5.2
293.21072	10.4
302.88977	1.0
331.15918	0.9
331.22073	1.1
348.75098	0.8
349.17456	5.1
349.23651	53.2
350.23883	4.6
367.17874	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03719	2.1
53.03935	14.4
53.69622	2.2
55.01867	13.4
55.05502	30.3
56.09359	1.9
57.03429	18.8
57.07071	4.5
57.42216	1.9
61.02925	10.6
62.48639	1.6
64.71973	1.6
65.03915	4.2
67.05495	75.2
69.03419	4.5
69.07056	68.6
70.07418	2.1
71.04974	3.4
71.52981	2.4
73.02895	6.9
74.18598	1.7
77.00930	2.2
79.05479	56.8
81.03403	29.5
81.07040	100.0
82.07397	2.0
83.04977	9.7
83.08604	11.7
84.04478	2.2
85.02895	7.8
85.06532	3.4
91.03936	5.0
91.05466	67.3
93.07029	64.2
93.07619	2.6
95.01313	23.9
95.04959	19.8
95.08591	66.4
96.08962	2.0
97.02876	6.6
97.06520	20.9
97.10145	3.9
99.08070	2.4
105.04514	2.1
105.07006	88.6
106.07343	2.7
107.04941	37.7
107.08571	26.2
109.06494	11.7
109.10127	15.1
111.04346	2.4
111.08057	5.2
113.09687	1.8
115.05503	2.0
117.06983	24.1
119.01897	3.6
119.08559	48.4
121.06475	7.0
121.10115	12.6
123.04409	5.8
123.08061	11.0
123.11721	3.7
125.09676	2.7
129.07080	2.3
131.01868	1.7
131.08536	27.7
133.03455	12.1
133.10115	50.8
135.08043	7.6
135.11659	14.8
137.09598	4.7
138.05501	3.2
139.07474	3.1
141.06941	5.2
143.01871	2.3
143.08594	5.4
145.06441	8.4
145.10089	23.3
147.07971	2.4
147.11671	27.0
148.04750	4.1
149.09619	9.0
149.13245	10.5
151.04518	5.8
151.11035	3.7
155.08598	2.3
156.18224	1.9
157.10078	3.8
159.11693	22.0
161.02948	5.8
161.09581	2.4
161.13245	7.3
163.11180	7.0
163.14709	2.3
165.09076	2.5
165.12755	2.3
169.10023	2.8
171.11748	6.4
173.02965	2.9
173.13249	4.3
175.04558	3.1
177.12753	8.3
179.14302	28.4
183.11632	3.3
187.04471	2.8
187.11192	7.9
187.14827	3.4
190.11852	2.0
197.13210	3.7
199.04515	2.8
201.06104	2.6
203.04175	2.3
205.12271	4.4
211.04373	2.0
217.05650	5.7
220.06902	2.3
229.19489	3.8
239.17973	4.1
241.14320	3.2
247.20569	4.6
257.19012	10.6
269.14899	13.3
275.20004	78.2
276.20508	4.7
278.15378	3.6
289.66315	4.0
301.20126	19.3
319.21249	5.3
331.22675	2.2
349.14688	2.4
349.23709	72.1
350.17432	10.8
350.23749	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2367
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
53.03917	4.9
55.01854	5.6
55.05498	12.1
57.03424	15.8
59.05724	1.6
65.03924	3.6
67.05173	2.8
67.05496	30.6
69.07056	16.9
70.06558	1.7
70.48537	1.6
71.04982	5.1
71.52331	3.2
75.04450	12.4
79.05479	47.7
81.03401	3.2
81.07043	100.0
83.04954	5.2
83.08600	6.7
83.31965	1.6
84.04489	5.7
85.06507	2.0
89.39228	1.8
89.62396	1.7
91.05468	28.0
93.07027	28.2
95.04948	5.9
95.08595	21.5
96.04415	2.6
97.06499	6.4
97.10148	2.9
99.08056	3.1
104.39906	1.5
105.07011	35.1
107.04945	4.7
107.08579	19.3
109.06499	35.1
109.10106	11.5
111.08086	2.0
117.06998	13.2
119.08556	24.5
121.06484	2.2
121.10130	14.1
123.08046	5.5
123.11685	3.0
125.09615	2.4
126.05486	10.2
129.06993	4.1
131.08537	16.7
133.10112	24.9
135.08061	3.3
135.11646	7.8
137.09576	1.8
137.13226	1.6
138.05457	16.7
141.46211	1.6
143.08539	3.0
145.10095	21.7
147.08099	2.0
147.11668	15.4
149.09593	3.4
149.13245	7.4
151.11147	2.1
155.08531	2.5
157.10088	5.9
159.11684	12.2
161.13200	7.4
163.11136	5.0
163.14792	3.4
165.12706	2.0
168.06529	5.6
169.10207	1.9
171.11699	5.0
173.13301	8.3
175.11119	3.3
177.12743	2.9
183.11711	2.9
186.07611	3.2
197.13188	3.3
204.08578	9.3
213.16280	1.8
219.17500	2.4
228.64220	2.0
229.19524	6.0
239.17998	5.2
247.20523	6.8
257.18973	15.6
275.20013	48.0
293.21072	2.6
349.19266	3.6
349.23679	76.7
349.26834	2.9
350.23825	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	349.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58038	2.1
52.08944	2.1
53.03920	2.6
55.01867	12.3
55.05504	30.8
57.03428	15.4
57.07055	3.6
58.06592	2.0
59.04967	3.2
67.05495	45.2
69.03392	2.0
69.07058	32.4
69.52493	15.3
70.06575	3.3
71.04967	8.0
72.08132	2.3
75.04459	19.7
77.03909	2.1
79.05479	55.3
81.03399	5.1
81.06586	4.0
81.07041	53.4
83.04954	8.2
83.08610	16.0
84.04485	12.4
84.08118	3.1
85.02882	6.9
85.06500	4.4
86.09670	2.0
91.03864	2.0
91.05462	43.0
93.07026	39.7
95.04945	8.6
95.08596	30.2
96.04497	3.4
97.06503	17.6
97.10151	11.8
98.05989	2.3
99.04456	2.9
105.07010	57.6
106.16514	2.0
107.04938	13.6
107.08579	59.8
107.80553	2.0
109.06509	9.8
109.10138	17.4
111.04391	2.2
111.08012	3.6
115.78243	2.0
117.06979	18.7
119.08559	34.3
121.06492	4.9
121.10111	17.2
123.08041	5.1
123.11666	3.3
125.09599	8.6
126.05476	20.5
129.06985	6.1
131.08554	29.2
133.10097	34.9
135.08044	5.7
135.11635	9.8
137.09599	2.6
138.05481	19.9
141.06941	2.2
143.08530	10.1
144.06516	4.9
145.10101	52.3
147.08005	2.4
147.11652	25.4
149.09610	19.0
149.13173	4.1
151.11089	3.9
155.08498	2.9
157.10106	7.8
159.08052	3.1
159.11676	21.5
161.13261	10.2
163.11125	12.0
165.09023	2.3
168.06560	4.8
169.10109	6.0
171.11653	12.1
173.11812	3.2
173.13153	10.9
175.14789	2.4
177.12738	6.2
179.14299	4.2
183.11673	9.2
186.07613	4.1
187.11143	3.2
188.09192	5.1
189.11108	7.5
197.13217	7.3
204.08667	17.6
205.12332	2.5
229.19557	4.7
239.17937	9.5
247.20496	2.6
257.18970	40.3
275.20026	67.4
276.20328	4.1
293.20853	2.5
331.22589	5.8
349.19724	75.8
349.23706	100.0
350.20142	4.4
350.24051	5.0
358.34967	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	348.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	6.0
57.07066	100.0
58.06606	2.4
58.07401	3.1
59.04987	26.6
69.07056	9.3
71.08617	99.0
71.54353	3.1
72.08957	3.6
73.06428	2.2
75.04473	5.0
81.07063	3.5
83.08590	2.4
85.10167	91.3
86.10512	2.5
91.05469	2.7
97.06518	8.0
99.11688	12.4
101.06003	5.1
107.08572	5.0
115.07551	39.3
117.09106	6.5
122.83885	2.1
125.38421	2.4
133.08600	2.7
141.16386	11.1
179.14383	3.7
197.95341	2.0
199.20531	16.3
246.92651	1.9
257.24789	4.8
275.51871	1.9
331.28314	8.5
339.62634	2.1
349.27164	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	349.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	4.0
55.26191	1.3
56.05012	4.9
57.03412	5.5
58.99576	3.4
60.04515	2.3
67.05485	4.3
68.05015	1.6
69.03401	3.1
69.07059	8.5
70.06582	25.4
71.55133	2.0
72.08147	11.5
74.06036	2.2
75.93148	1.2
76.02213	2.7
76.21962	1.3
78.26919	1.2
79.05479	5.5
81.03402	3.2
81.07042	39.3
82.07346	1.4
82.87058	1.2
83.06123	1.7
83.08598	1.9
84.04489	33.3
84.08121	10.0
85.02892	7.1
85.06504	1.3
86.00626	3.2
86.09695	12.5
86.99041	4.6
87.02675	18.7
87.04456	1.6
88.02175	1.7
91.05453	4.3
93.07034	3.8
94.06558	11.2
94.07069	2.0
95.04933	3.8
95.08590	5.7
97.02866	1.6
97.06503	1.6
98.05991	1.4
98.09650	2.2
99.04475	1.4
99.08064	5.3
102.05508	1.7
103.05437	2.0
104.57294	1.4
105.00081	6.7
105.06953	1.9
107.08594	2.9
109.02837	1.4
109.06485	1.8
109.10150	1.9
110.06000	1.6
110.07137	2.6
112.07568	1.9
116.07045	1.9
118.06480	1.6
119.08580	1.6
120.08086	10.2
122.02711	24.8
122.06015	32.0
123.08057	2.0
124.07578	2.9
129.10184	2.5
130.04980	5.4
132.01111	5.2
135.08102	1.6
136.07539	6.3
137.05917	2.8
140.07047	50.2
142.08615	2.6
144.04453	5.8
144.08090	1.4
145.02820	3.6
145.06560	2.3
146.05981	41.5
148.03899	2.6
148.07556	9.8
153.06602	1.6
153.09106	2.3
155.06950	1.4
156.69350	1.4
159.04674	6.3
162.05437	4.9
164.07022	18.9
172.03906	24.4
172.05229	2.6
173.12965	1.5
174.05498	1.7
174.09343	1.8
177.05489	6.7
189.07764	2.1
190.04961	100.0
191.05415	4.3
192.06491	15.7
193.10614	1.6
201.07935	1.8
202.08945	34.5
203.07286	14.7
203.09122	2.8
204.10191	1.7
208.06030	35.1
220.09946	9.8
221.10100	1.4
234.04079	1.6
244.09673	4.5
246.11179	7.7
272.09042	3.9
286.11243	5.4
287.13843	4.9
289.11691	4.6
290.10083	2.9
305.14795	2.1
307.12909	3.4
313.11823	5.9
317.63702	1.5
331.12820	28.6
332.11417	2.6
349.09402	2.5
349.13977	15.7
350.12305	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	348.2739
Annotation	Broussonetine M1
Peak:m/z	Relative Intensity
53.03930	0.8
55.01859	1.7
55.05506	3.6
56.05021	4.0
57.03416	1.0
57.07073	0.9
59.04983	0.5
60.04514	100.0
65.03932	0.7
67.05495	12.4
68.05024	1.2
69.03417	1.0
69.07051	3.4
69.20133	0.5
70.06576	23.6
70.83143	0.5
70.84564	0.4
70.86364	1.6
71.04978	2.6
71.06285	0.8
71.06911	2.3
72.04498	1.8
72.08145	1.1
73.02917	0.7
74.06062	2.1
79.05476	9.7
80.05022	1.4
81.03413	2.0
81.07041	12.4
82.06562	2.6
83.04961	1.6
83.08617	2.5
84.04491	12.9
84.08131	1.7
85.02897	3.6
85.06529	2.3
86.06039	0.8
86.09686	2.5
86.87747	0.6
87.04448	0.9
89.87116	0.5
90.05550	1.7
91.05463	8.1
93.07027	9.3
94.06551	2.3
95.04965	1.6
95.08588	9.6
96.08114	1.7
97.02901	0.7
97.06528	1.2
98.06031	0.5
99.04432	7.3
99.08073	0.9
100.07599	1.1
100.11241	0.9
103.03933	3.5
103.05442	0.6
105.07021	5.3
107.08559	5.6
108.08142	0.7
109.02840	1.3
109.06481	1.0
109.10134	5.2
110.06059	0.9
110.07140	0.7
111.08089	0.8
112.07591	0.8
112.08735	0.9
116.07063	0.9
117.07008	2.0
118.06550	1.3
119.08543	4.3
120.08134	1.6
121.06462	0.6
121.10115	5.6
122.05971	0.8
123.08052	2.0
123.11696	1.7
124.07572	0.8
124.11186	0.6
125.09629	1.3
126.05502	2.1
126.09106	0.5
127.03905	1.7
129.06979	1.2
131.08525	3.2
133.08621	0.5
133.10104	3.8
135.11684	3.1
136.06184	1.6
136.07570	1.0
136.11200	0.7
137.05952	0.7
138.09137	0.5
140.07057	0.6
143.08525	1.4
145.04979	1.1
145.10095	4.9
146.05980	1.1
147.11684	2.1
149.13232	1.6
150.05409	0.7
157.10118	1.0
159.11661	1.1
161.13220	1.5
163.11148	1.2
165.12866	0.7
165.79987	0.5
169.12170	0.8
171.11652	1.2
173.13274	2.2
175.14769	0.8
177.05408	0.7
181.12148	0.6
182.15414	0.6
183.13786	2.4
185.13297	0.8
191.03603	0.6
191.08118	1.1
201.12671	0.8
203.06949	0.7
210.14969	0.5
216.48044	0.6
217.19458	0.7
227.16350	7.3
258.22171	0.9
264.23276	0.9
276.23260	3.1
276.72675	0.6
282.24493	0.6
289.11743	1.5
294.24194	6.1
306.14465	3.5
312.25235	8.5
330.26318	35.6
331.26730	2.0
348.13049	5.2
348.20273	2.8
348.27365	97.2
349.13690	0.8
349.20877	0.6
349.27557	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	348.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	6.3
55.05501	33.2
57.03417	7.3
57.07053	2.7
67.05492	84.5
69.03410	3.2
69.07053	23.2
69.86442	12.7
70.06566	3.0
71.04961	5.6
71.08620	21.6
72.05840	2.2
79.05476	29.3
81.03408	3.8
81.07042	85.0
83.04946	7.8
83.08606	35.6
83.73715	2.0
84.34869	1.9
85.06525	3.4
91.05463	25.8
93.07020	46.1
95.04954	5.0
95.08595	30.6
97.06494	15.3
97.10154	25.5
99.08073	14.5
105.07008	16.8
107.04936	2.3
107.08572	27.8
109.06484	3.5
109.10138	45.6
110.10462	2.8
111.08038	9.1
113.09606	2.5
117.06996	9.8
119.08552	12.4
121.06436	2.3
121.10113	16.3
123.08053	4.1
123.11674	5.8
125.09607	17.7
129.06985	2.4
131.08565	12.1
133.10114	22.1
135.08026	5.1
135.11673	16.6
137.09583	5.6
139.11128	4.2
143.08510	2.7
145.10080	8.7
147.11620	8.3
149.09583	1.9
149.13226	37.1
151.11137	16.6
155.10580	11.3
159.11664	18.2
161.13240	8.6
163.11154	6.7
165.12727	6.3
167.14322	4.2
171.10155	3.1
171.11604	2.7
173.11717	91.8
177.12723	13.2
179.14285	9.5
185.13240	2.3
189.11205	27.8
190.14378	3.1
195.13766	100.0
196.14203	2.9
212.01750	2.3
213.14812	65.5
214.15189	2.1
241.19466	3.7
249.22098	2.3
257.18887	3.9
259.20505	8.4
275.20074	5.1
277.21576	62.1
278.21945	2.8
295.22620	26.9
311.11060	2.5
349.23672	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	348.176
Annotation	Asp Thr Leu
Peak:m/z	Relative Intensity
53.27956	0.9
55.01858	1.0
56.05024	9.5
56.94656	0.9
57.03424	2.1
58.06599	7.4
60.04518	1.4
69.03420	2.3
69.07038	1.0
69.97298	5.6
70.02946	4.6
70.06572	2.0
72.08159	1.5
73.02254	0.9
74.02381	1.2
74.06067	43.7
81.63199	0.9
82.06553	5.2
84.03985	1.4
84.04491	27.5
84.04975	2.1
84.08120	1.8
85.02896	9.1
85.04049	1.0
86.06062	2.0
86.09694	58.2
88.02192	2.0
88.03975	21.8
91.05516	0.9
93.07025	1.3
97.02869	1.5
98.02374	1.5
98.06055	1.4
98.21455	1.1
100.07603	12.7
101.07128	2.4
102.05541	1.0
106.86570	0.9
106.94656	1.1
107.08583	0.9
110.06010	2.6
111.05528	4.5
111.06232	1.0
112.03957	3.3
112.11256	2.4
116.07142	1.3
123.04420	7.4
124.11196	1.6
125.07088	2.0
126.05499	45.8
126.12823	1.5
127.03905	2.4
127.04945	1.8
129.06578	11.9
130.04965	1.4
132.10185	24.5
136.03935	1.9
136.06163	3.4
136.07513	1.0
141.13857	3.9
144.06538	100.0
145.04936	3.9
147.04355	1.5
153.06561	3.5
154.04944	5.2
158.11790	1.7
168.10150	1.7
169.04935	2.1
169.13322	3.9
170.09232	2.8
171.07626	12.3
186.12497	1.5
187.14397	2.3
189.08676	84.8
197.12822	5.5
198.08731	2.4
199.07121	8.0
200.05585	1.1
215.13905	1.9
217.08167	78.6
233.14949	8.5
243.13368	5.8
284.15970	10.3
291.04211	1.2
301.40118	1.1
312.15500	5.1
330.10144	1.6
330.16531	18.7
348.12900	1.1
348.17374	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	348.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	2.4
56.69032	0.6
57.07049	1.3
59.04987	0.9
60.04505	2.2
67.05499	4.2
67.56709	0.6
69.03389	1.5
69.07036	2.5
69.68764	4.4
70.06593	5.3
71.04599	1.3
71.04984	22.2
72.08141	1.6
79.05465	1.9
81.03391	0.8
81.07047	4.0
83.04967	0.7
83.08597	2.5
84.04487	2.9
84.08128	1.1
85.02892	1.6
85.06535	9.8
86.09680	2.5
88.02195	0.8
89.06032	0.7
91.05469	1.8
93.07042	3.6
95.04921	0.8
95.08588	5.6
97.06494	1.3
98.09631	0.8
98.21548	0.6
99.04441	82.0
99.08077	1.2
100.04766	1.8
100.11268	1.8
105.07018	3.5
107.08586	12.1
109.06500	4.7
109.10143	7.3
110.07135	0.8
111.04359	0.7
111.08033	0.7
113.09608	3.6
117.07023	1.0
119.04935	1.6
119.08559	2.5
120.08051	1.7
121.10126	6.7
122.02657	0.8
123.08041	18.0
123.11682	8.8
124.07566	1.5
124.08401	0.7
125.09622	4.7
127.03873	0.7
127.11141	0.7
129.06953	0.7
130.06596	0.8
131.08499	1.8
133.10112	9.1
135.08020	1.7
136.06157	0.9
136.07535	1.2
137.05986	1.2
139.11151	1.8
140.06993	0.7
145.10086	1.4
146.06020	0.8
147.04375	2.9
147.11644	2.3
149.09570	1.0
149.13261	4.7
151.11160	5.9
153.09059	1.7
157.07571	0.8
163.11215	0.7
164.07172	0.7
164.10672	0.8
165.12761	1.8
167.07001	0.8
167.10646	1.3
168.07364	0.7
169.12230	12.7
173.13162	5.0
183.13776	20.0
185.11755	0.9
190.05019	0.9
191.14258	4.8
192.10150	2.7
203.08150	2.1
209.15331	9.8
227.16383	100.0
228.10184	8.2
228.16687	4.7
252.23235	0.7
254.54555	0.6
270.24347	1.0
296.09387	0.7
312.10394	0.8
313.11746	1.4
330.11374	0.9
330.26407	0.7
331.12827	3.2
334.64957	0.7
348.12637	2.4
348.18237	1.6
348.27280	4.3
349.13892	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	348.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.9
55.01857	1.0
55.05504	3.3
57.03415	1.7
57.39329	0.5
59.04997	5.5
60.04520	0.8
63.93596	0.6
67.05492	4.6
69.03079	0.6
69.03410	3.9
69.07044	2.2
70.06583	3.2
71.04972	5.1
71.06898	0.7
71.53588	0.7
72.08134	2.1
73.02914	0.8
79.05476	7.0
80.76390	0.6
81.03381	1.4
81.07042	20.4
81.07516	1.2
83.04977	1.6
84.04492	4.2
84.08125	1.3
85.02883	1.9
85.06531	1.5
86.09709	1.4
89.06010	2.9
91.05460	4.7
93.07028	18.5
95.04964	2.3
95.08579	3.3
97.02864	1.0
97.06512	1.9
99.04436	7.0
103.03925	1.8
105.07011	28.0
107.04947	1.3
107.08578	22.7
108.78378	0.6
109.06491	3.6
109.10139	1.2
111.08086	0.8
113.06017	0.8
115.05450	0.7
117.07011	3.5
119.08561	8.5
120.08089	0.6
121.06493	9.2
121.10126	23.0
122.10407	0.7
123.08050	0.7
124.07580	0.8
125.06010	0.7
126.05561	0.8
127.03928	1.0
127.07555	3.2
127.08386	0.6
129.06950	1.3
130.07764	2.8
131.08496	2.9
133.08542	2.1
133.10086	1.6
135.08063	3.8
135.11658	11.6
136.06204	4.1
137.05908	0.7
142.07756	0.9
143.08542	3.7
145.06410	0.7
145.10100	31.3
147.11700	3.0
149.05975	1.5
149.09552	3.0
151.07516	1.2
155.08545	0.8
157.10103	4.2
159.11633	1.1
163.11153	95.8
164.11497	1.7
171.11597	0.8
173.09575	2.4
177.79228	0.6
181.05017	0.7
181.12216	7.8
185.13240	4.5
191.10641	32.0
192.10974	1.2
199.14766	0.8
209.11691	100.0
210.12021	2.4
227.12726	24.6
245.15344	4.7
313.12778	1.9
331.13907	1.1
348.12753	1.7
348.20380	1.3
349.16440	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	0.7
55.05499	1.7
57.03426	2.4
57.07067	100.0
58.07408	1.4
59.04991	42.2
69.07055	2.1
71.08620	72.1
81.07047	0.7
83.08603	1.7
85.10169	56.0
89.06020	8.8
91.15426	0.6
95.98183	0.7
97.10177	2.6
98.08971	0.8
99.11718	9.6
111.11732	0.8
111.93656	0.7
113.13262	3.7
117.09120	8.9
124.65964	0.7
133.08664	1.1
151.09634	7.7
155.17978	2.9
159.36668	0.7
186.17256	0.8
213.22208	2.4
213.24023	0.7
229.21823	0.9
229.80325	0.8
271.26483	1.4
347.31113	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
55.01855	0.9
56.05003	1.4
56.96571	1.2
58.06580	1.1
64.47622	0.7
69.03410	2.2
69.07001	0.7
69.94592	2.1
69.95007	2.0
70.06580	1.8
72.08131	1.5
73.02885	1.5
74.06055	3.7
78.04700	0.8
79.05460	1.4
81.03374	1.0
84.04473	3.1
84.08144	5.4
85.02881	3.0
86.09689	12.5
88.03969	3.1
89.03878	1.2
89.34618	0.7
91.05463	5.1
93.07022	3.2
95.04936	2.1
97.02857	1.4
100.07581	1.5
103.05464	5.8
106.04178	1.3
107.04948	3.9
110.07128	1.0
115.02409	0.8
117.03371	1.4
119.01912	0.9
119.04877	2.2
121.06491	13.6
121.63394	0.7
122.05981	4.9
123.04417	5.0
124.05212	1.7
124.07536	1.0
126.05483	3.5
129.06506	0.9
130.08601	0.9
131.01892	1.0
131.04884	5.6
132.10164	5.4
133.02782	0.9
134.03661	1.6
135.04416	2.1
136.06145	8.4
137.05942	8.6
140.04649	2.5
142.23479	0.7
144.06531	8.3
145.02817	2.6
147.04375	3.1
148.05077	1.9
148.69467	0.7
149.05948	14.9
150.05513	6.3
152.04594	1.0
155.06999	2.1
159.04385	4.5
161.02925	1.2
163.03877	1.1
165.05466	1.3
167.07013	100.0
168.06490	10.0
171.07680	1.2
173.12773	1.4
176.04646	1.6
176.08136	2.6
177.05440	38.0
181.08531	1.3
186.07664	8.4
188.08163	3.7
189.08696	7.5
191.07028	2.1
194.05702	1.2
195.06531	1.0
199.07172	1.3
209.08057	33.0
214.06107	1.9
215.13831	0.9
217.08124	6.9
223.04240	1.1
227.09100	51.9
233.15015	1.1
266.54730	0.9
284.16183	1.0
303.10968	3.6
330.12094	0.9
330.16373	2.6
348.12924	12.6
348.16702	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	346.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50324	3.4
53.03938	3.7
55.01854	5.9
55.05504	32.3
57.03417	3.4
67.05494	73.3
69.07059	38.2
70.44689	3.5
70.78297	6.8
71.04982	3.4
79.05472	40.4
81.07046	100.0
83.04955	9.9
83.08602	26.5
85.06552	4.7
91.05477	35.7
93.07034	49.9
94.07330	4.0
95.04953	5.5
95.08601	38.3
97.06528	14.2
97.10156	22.7
99.08098	6.3
105.07018	32.7
107.04945	4.6
107.08584	43.4
109.06478	5.1
109.10139	31.6
111.08089	7.8
117.07005	11.8
119.08566	17.1
121.10132	21.3
122.10511	3.3
123.11681	7.9
125.09593	17.5
131.08536	16.6
133.10114	25.1
135.08064	7.6
135.11700	18.7
137.09634	7.5
145.10100	11.1
147.11678	11.9
149.09610	11.6
149.13263	33.0
151.11102	4.4
153.33757	3.7
155.10632	7.2
159.11665	19.2
161.13254	4.4
163.11171	8.0
173.11743	39.3
173.13162	6.1
174.11836	3.6
177.12741	11.6
177.35555	3.7
189.11163	17.4
195.13785	78.9
196.14169	3.9
211.88004	3.3
213.14825	62.2
214.15189	3.7
239.18114	4.5
251.35970	3.4
257.18954	11.4
268.08411	3.8
270.51721	3.8
275.20007	99.8
276.20486	8.7
293.20859	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	346.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.7
55.01847	1.2
55.05501	1.7
55.63638	0.7
56.05009	1.7
57.03405	0.8
57.98755	0.6
58.06570	1.0
58.99333	0.8
58.99580	9.0
60.04486	0.7
63.36115	0.6
65.03932	0.7
67.05485	2.1
69.03412	3.0
69.07050	2.4
70.06562	3.0
71.04984	1.3
71.51952	0.8
71.52345	0.7
72.08139	2.2
74.06068	5.7
76.02214	19.2
79.05473	2.1
81.03403	0.9
81.07047	3.2
83.04949	0.8
83.08638	0.6
84.04506	1.5
84.08134	1.9
84.38679	0.6
85.02876	1.7
86.06043	1.1
86.09695	14.5
86.99028	5.4
87.04463	0.7
88.03992	1.3
91.05462	9.4
92.57012	0.7
93.07033	3.6
94.06549	0.8
95.04974	1.8
95.08590	7.3
95.79217	0.7
97.02856	0.8
97.06541	0.9
98.09628	0.6
98.97590	0.7
99.04419	1.7
101.07121	4.2
103.05505	0.7
105.00085	8.6
105.07016	43.1
106.07330	1.2
107.08588	2.5
109.06468	5.0
109.10149	1.4
116.07069	1.6
117.06984	1.9
119.04943	0.8
119.08563	14.2
119.09380	1.4
120.08086	1.6
121.06480	2.0
121.10137	0.9
122.02711	100.0
122.06036	1.6
122.09676	0.8
123.03043	1.0
123.08065	6.5
123.11691	1.0
124.07549	1.2
127.03899	0.8
131.08551	2.1
132.10219	0.7
133.06454	3.4
133.10109	45.1
134.10478	1.1
135.11681	0.9
137.05962	4.1
137.09596	1.8
138.06293	0.8
140.07098	1.1
142.12242	2.0
143.08540	1.5
143.11705	0.9
145.10117	3.1
146.05978	3.0
147.04324	0.7
147.08003	1.0
149.05913	1.4
151.07523	25.8
151.11182	1.1
152.07884	1.2
161.05965	2.3
161.09586	17.4
161.10912	0.9
163.11154	30.5
164.11412	1.1
167.07059	0.9
173.04288	1.3
175.07527	0.7
179.10640	34.4
180.10994	1.1
187.14389	19.7
189.09085	20.7
189.10767	1.5
198.22124	0.6
204.06602	2.2
205.06920	3.5
206.04260	0.8
206.08113	2.6
207.10118	13.7
215.13908	8.4
219.45035	0.8
225.11139	2.2
233.14845	1.0
245.18819	0.7
254.08958	1.2
286.11545	2.9
296.09995	0.8
304.89899	0.6
310.11496	1.2
328.12601	2.7
328.25009	0.9
329.11258	2.5
345.33478	0.8
346.13434	2.7
346.26309	1.4
347.12430	2.9
347.16501	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.4
55.01859	1.1
55.05508	1.2
58.06617	0.8
58.99569	1.7
61.50698	0.7
67.05488	1.6
69.03403	1.7
70.06585	7.3
71.05009	1.2
71.55099	0.9
72.08144	15.3
76.02217	2.3
79.05442	0.8
82.06541	1.0
84.04500	1.3
84.08124	7.3
85.02900	2.6
86.09689	19.6
86.99027	0.8
88.02189	0.9
88.03969	1.0
91.05468	8.8
93.07021	2.9
95.04956	23.6
95.08573	1.0
97.02875	1.7
103.05438	3.3
105.00090	1.7
105.03360	1.9
105.04523	1.2
107.04925	1.5
108.15721	0.9
112.07611	2.3
116.07082	3.2
119.04934	2.2
120.04420	1.1
120.08116	0.9
121.06458	6.4
122.02707	13.4
123.04407	44.5
124.03942	2.4
124.04752	1.6
124.07526	1.3
126.05504	1.5
129.10196	1.6
130.04965	1.3
130.08647	6.3
136.07562	3.9
137.05960	3.2
137.07930	1.4
138.05432	1.5
140.04619	9.0
140.07024	1.3
142.08600	1.1
147.04390	6.0
149.05978	6.3
150.05513	0.9
151.03862	2.2
155.07002	30.3
165.05469	1.7
166.04961	3.0
166.08595	1.4
177.05438	1.5
178.04961	2.3
179.06975	2.3
180.06410	1.0
180.07799	1.8
181.08554	1.4
183.06500	59.7
184.09668	2.0
185.16473	11.1
198.02275	1.1
198.07474	0.9
207.10040	1.9
213.15993	5.3
218.04507	1.6
220.06123	0.9
225.07541	100.0
226.07886	2.7
243.11266	3.4
244.02756	1.0
268.08096	2.0
296.07590	2.8
311.07489	2.0
314.08258	0.9
328.09909	5.5
346.10577	1.7
346.14157	2.4
346.18448	1.4
346.26733	2.3
347.12494	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2993
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31199	1.0
55.01864	2.4
55.05500	6.2
57.03410	1.2
57.07066	3.6
59.04988	1.3
65.03923	2.2
67.05502	11.3
69.03418	3.9
69.07055	18.4
70.06586	3.2
71.04993	2.0
71.08616	1.3
72.08146	1.7
73.02918	1.8
78.04743	1.1
79.05479	7.6
81.03413	2.8
81.07043	30.4
82.07372	1.3
83.04963	2.7
83.08614	5.5
84.04478	1.2
84.08131	13.7
85.02897	4.5
85.06501	6.4
86.09701	2.1
89.06046	1.4
91.05465	8.1
92.33420	1.0
93.03399	1.8
93.07028	15.0
94.06551	1.5
95.04955	3.9
95.08591	24.0
96.02112	2.4
97.02876	2.6
97.06528	3.3
97.10156	2.0
99.04432	1.6
99.08069	2.6
103.05470	3.0
105.06985	6.3
107.04933	3.5
107.08578	10.6
108.08113	1.3
109.02850	2.0
109.06483	1.2
109.10134	16.6
111.04413	6.1
111.08073	4.7
111.11721	3.3
116.98611	1.3
117.06973	2.1
119.08566	6.7
120.08085	1.2
121.06490	1.7
121.10157	8.2
122.03618	1.2
122.06019	2.3
123.04408	1.7
123.08063	1.1
123.11688	10.6
124.07495	1.2
125.09621	2.5
127.03891	4.1
130.08682	1.4
131.04924	4.6
131.08571	2.6
133.02817	1.3
133.06482	1.4
133.10104	3.5
135.08038	1.7
135.11664	5.2
137.02330	2.1
137.05949	18.5
137.09601	2.3
137.13252	4.7
139.03870	5.7
139.11154	3.4
140.07074	2.9
141.07016	1.2
143.08461	1.0
145.06462	1.8
145.10095	2.5
147.04427	1.5
147.08047	2.1
147.11691	3.2
149.05946	1.6
149.13226	7.3
150.05486	2.1
151.07523	1.6
151.14851	1.2
153.05415	1.6
153.12733	3.3
155.08458	1.3
155.14278	1.2
157.06427	2.1
157.10034	1.7
159.04529	1.5
159.08003	2.1
159.11668	1.7
160.08792	1.5
161.05968	2.7
161.09605	1.8
161.13229	1.7
163.07584	2.7
163.14781	1.5
165.07033	2.0
165.09090	3.8
165.12726	1.7
167.03363	2.2
167.07031	2.7
167.08553	1.8
167.14250	2.0
171.08057	1.2
172.03923	4.1
175.07536	2.4
177.09183	3.1
179.08521	1.9
181.06459	2.9
182.07304	1.5
182.66156	1.1
183.06537	1.6
183.08069	1.3
189.08955	1.3
191.07004	4.1
191.10736	1.3
191.17982	1.4
193.06622	1.2
193.08569	1.4
195.08066	3.7
196.05170	3.8
196.08919	1.3
197.06046	1.9
197.09598	1.7
198.06743	4.0
199.07524	1.4
203.07034	1.5
204.06474	8.1
205.19522	2.3
207.08083	3.2
208.23320	1.2
209.05893	1.7
210.06760	2.0
211.07494	4.3
213.05486	5.0
213.09019	1.4
217.19562	1.5
221.09717	2.0
223.07547	3.0
223.20525	1.7
224.04642	1.5
224.08290	2.3
225.05449	2.7
225.09088	2.0
226.06238	2.5
227.07066	2.6
228.07690	2.2
237.05286	1.7
238.06143	2.2
238.09866	2.2
239.06995	5.4
239.10651	4.0
240.07707	3.6
241.04877	11.1
241.08604	3.9
243.06609	4.8
249.09097	1.4
251.07190	1.9
252.07869	2.9
253.04951	3.0
253.08423	6.1
253.12375	1.5
254.05408	1.3
254.09143	1.2
255.06506	3.0
256.07333	3.4
259.05930	2.3
265.08536	1.6
267.06519	1.4
267.10144	8.4
268.07275	4.9
268.10318	1.7
269.04544	3.1
269.08063	6.5
270.08633	3.2
271.05865	1.5
271.09586	3.0
273.25638	2.0
277.08557	1.9
279.26770	1.4
281.08011	2.3
284.06747	29.0
284.09918	2.5
285.07178	4.0
285.11270	4.7
286.08377	1.7
287.05469	5.3
288.06009	1.2
291.26669	5.7
295.09644	5.1
296.10397	3.7
299.05814	2.1
299.09177	27.1
299.12830	4.8
299.16116	1.4
300.09399	3.7
301.07037	2.1
309.11267	1.4
309.27612	2.9
311.05530	4.9
312.06262	11.2
313.06937	3.2
313.10712	10.6
314.11197	3.5
315.04996	12.1
316.05685	3.3
317.13837	1.3
327.08392	1.4
327.12225	26.5
328.12698	4.4
329.06470	5.5
330.07263	14.7
331.07611	2.3
345.06012	5.7
345.09653	100.0
345.13403	26.5
345.27509	1.5
346.06210	1.6
346.09979	9.7
346.13675	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	346.0951
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11447	0.8
53.03938	2.3
55.01854	1.2
55.05508	1.2
58.06562	0.9
58.99562	1.8
59.26566	0.9
65.03904	0.9
67.05476	1.7
68.05016	2.3
69.03427	1.3
69.07042	1.3
70.06583	8.8
71.09933	0.9
71.10255	1.6
72.08148	10.4
72.37517	1.0
76.02206	2.9
79.05478	1.8
81.03387	1.6
81.07020	1.7
82.06564	1.2
84.04503	1.6
84.08122	7.1
85.02890	2.7
86.09693	12.4
88.02203	2.6
88.03983	1.3
91.05469	7.9
93.07028	4.7
95.04951	25.3
97.02905	1.0
100.07587	1.4
101.57201	0.9
101.87476	1.1
102.05550	1.1
103.05451	2.9
105.04453	1.5
105.07011	2.1
107.04913	2.2
109.02813	1.2
110.06026	1.1
111.08131	1.2
116.07063	3.7
119.04906	2.2
119.08534	1.7
121.06506	5.4
122.02714	15.0
123.04411	48.8
124.04760	1.2
126.05528	1.5
130.06497	2.0
130.08623	3.9
134.02718	1.4
136.07556	3.4
137.05974	2.2
137.07864	2.0
138.05469	1.9
139.03810	1.3
140.03574	1.4
140.04651	10.9
140.06982	1.6
147.04388	3.6
147.07977	2.9
147.44194	1.0
148.07535	3.9
149.05986	6.1
151.03947	1.2
151.07484	1.0
154.04895	1.5
155.07004	34.7
159.07881	1.2
163.03957	1.1
164.93317	0.9
165.05473	1.4
165.09076	1.5
166.04965	1.6
166.08591	1.1
167.07094	1.9
170.08345	1.1
179.07033	1.5
180.08011	3.0
181.08620	1.9
183.06508	60.7
184.05981	2.9
185.07324	1.0
185.16464	4.4
189.09081	1.2
197.10722	1.1
199.12262	1.3
207.06567	2.0
207.10112	3.9
213.16003	3.2
225.07545	100.0
226.08046	2.2
243.11272	16.2
260.00717	1.1
282.11285	1.1
295.30594	1.1
302.15018	3.3
328.12045	2.2
346.13763	9.3
346.18472	1.9
346.26877	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	345.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	0.9
55.01868	1.5
55.05485	0.6
58.97625	0.6
65.03915	1.2
67.05501	1.4
69.03394	1.1
69.07052	1.4
70.06590	4.4
71.06901	1.0
79.05485	3.2
80.38368	0.7
81.03381	0.8
81.07044	4.1
84.08122	1.1
85.02892	0.9
86.09682	2.5
91.05469	4.6
93.07051	2.9
94.04169	2.7
95.04948	1.6
95.08588	1.7
97.02841	0.6
97.06518	0.8
98.21516	1.7
102.05315	0.6
103.05460	9.3
105.07019	5.8
107.04939	2.6
107.08581	1.6
109.06487	1.7
110.06013	0.7
111.04428	2.2
112.06932	0.6
112.07558	3.4
113.07917	1.5
115.05468	1.0
117.07001	1.6
119.04935	1.3
119.08543	1.6
121.02872	0.7
121.06500	2.0
121.10108	1.7
122.03636	8.8
122.06003	1.3
123.04407	1.2
123.08071	0.8
128.06197	1.5
129.06937	0.7
131.04916	10.5
131.08537	0.6
133.06471	18.5
133.73825	0.6
134.06833	0.7
134.08951	0.6
135.08020	7.8
136.06139	0.9
137.05960	100.0
138.06258	2.9
140.06985	3.5
141.07318	0.8
143.08621	0.8
145.06438	3.2
146.05983	0.6
147.04367	0.8
147.08063	1.8
149.05939	1.3
151.07526	5.5
153.07007	1.0
155.08466	0.6
157.06451	1.6
159.08031	1.5
161.05992	1.3
161.09541	0.9
161.13232	1.5
163.07526	30.8
164.08043	0.7
165.06979	1.8
165.09145	1.2
167.07166	0.9
169.08626	0.7
171.08026	1.6
172.03935	1.9
175.07570	2.2
177.09113	4.0
178.07677	1.0
179.08548	1.5
179.14320	1.2
181.06453	0.8
183.06448	0.6
183.07968	0.7
189.09100	1.6
191.06987	1.6
193.06480	0.6
195.07980	1.5
196.08875	0.7
197.05980	1.1
198.06715	1.4
203.10814	0.7
204.06528	3.3
206.08218	0.7
207.08076	0.7
207.13759	1.9
210.06734	1.7
211.07478	1.9
213.05502	0.6
220.08829	0.8
221.05986	1.2
222.06871	0.6
223.07521	1.1
224.08339	2.0
225.05157	0.7
225.09085	1.5
235.07460	0.9
235.11290	1.4
238.09758	0.7
239.07024	5.2
239.10655	2.1
240.07617	0.8
252.07747	1.1
253.08569	1.9
255.06540	1.0
256.07294	1.2
263.10629	1.0
267.06549	0.8
267.10162	2.8
268.07538	0.7
269.08051	2.4
281.07971	1.2
284.10406	1.2
285.11264	3.4
286.08286	0.9
295.09702	1.7
295.13281	2.5
299.09122	8.4
299.12756	2.4
300.09436	0.6
313.10651	7.3
327.09006	0.8
327.12360	9.7
327.15927	1.4
328.12161	0.9
345.06177	3.7
345.09451	0.6
345.13339	11.9
346.06210	0.7
346.13425	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.1
53.26522	0.6
55.01852	2.1
55.05507	1.4
57.03420	1.8
58.06561	0.7
58.33159	0.6
65.03943	0.7
67.05503	3.7
68.99767	0.7
69.03405	2.2
69.07053	3.2
69.36993	4.9
69.37407	1.3
69.90417	0.6
70.06574	2.8
71.00282	0.6
71.04970	2.1
72.08134	2.7
73.02919	0.9
79.05474	4.9
81.03382	1.4
81.07040	4.0
83.04946	1.1
83.08564	0.9
84.08125	2.6
85.02884	2.0
85.06555	0.9
86.09698	4.4
91.05478	3.7
93.07032	4.3
94.04163	2.9
94.06544	1.7
95.04967	2.3
95.08558	1.4
97.02895	1.6
97.06493	1.6
98.20791	1.3
103.05453	8.4
105.07027	5.8
107.04916	3.2
107.08569	2.6
109.06508	2.3
109.10144	2.2
111.04406	1.5
111.08079	1.1
115.05453	1.1
117.06983	2.0
119.04901	1.2
119.08545	1.6
120.08015	0.9
121.02831	0.9
121.06495	4.6
121.07227	0.8
121.10117	1.1
122.03629	8.5
122.06034	4.6
123.04424	1.3
123.07984	1.1
124.07636	1.3
125.05988	0.9
127.03909	0.9
128.06232	1.2
131.04903	10.1
131.08533	1.2
133.06476	16.2
133.10077	1.4
135.04369	0.8
135.08023	7.5
135.11705	1.0
137.02339	2.4
137.05959	100.0
137.09569	2.5
138.06311	1.7
139.03734	0.8
140.07043	5.5
143.04953	0.9
144.04457	2.1
145.06458	3.2
146.06033	2.1
147.04362	0.9
147.08037	2.3
149.05972	2.5
149.09610	1.0
151.07571	4.8
153.01808	0.8
153.05432	0.9
153.12721	1.7
155.06024	2.0
155.10629	0.9
157.06454	1.1
159.11722	0.9
161.05948	4.0
162.05475	1.0
163.07513	27.7
164.07910	1.2
165.05582	0.8
165.06989	2.1
165.09145	2.6
167.07051	3.5
167.08521	0.7
171.08014	1.2
172.03896	9.4
175.07507	2.4
177.05585	0.7
177.09097	3.0
179.08621	0.9
182.07318	0.9
189.09087	1.4
191.07001	2.1
193.06561	1.6
201.06741	0.7
203.07034	1.4
203.10596	1.6
204.06528	16.7
205.06770	0.8
206.08113	2.6
207.08131	1.6
209.06003	0.9
210.06792	1.2
211.07529	1.6
221.05957	2.5
222.06703	0.9
223.07547	1.0
225.05360	0.8
225.09029	2.6
229.06129	1.4
235.07581	0.8
238.06302	0.8
239.06924	1.7
239.10703	0.9
249.08965	0.9
252.07866	1.1
253.08562	6.5
255.06522	1.1
255.21346	0.6
256.07251	0.9
257.08667	0.6
263.10712	1.2
267.10168	2.8
269.08066	0.9
270.08792	1.7
277.08664	1.2
281.05569	1.8
285.11200	11.2
295.09698	2.1
295.13315	3.3
299.05545	1.8
299.09204	2.9
299.12482	1.4
300.12552	0.8
301.13409	1.4
302.04214	1.6
309.11105	1.5
313.10638	4.5
314.11206	1.2
314.48831	0.7
315.05023	1.0
327.05658	1.8
327.12244	11.0
327.15875	1.2
328.12393	1.9
345.06165	18.5
345.10434	2.0
345.13748	5.9
346.06238	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	345.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04245	0.4
53.03925	0.7
55.01852	1.7
55.05506	0.7
57.03411	0.8
65.03928	0.5
66.04723	0.5
67.05481	1.7
69.03420	1.0
69.07043	2.1
69.07396	0.5
70.06574	1.6
71.54379	1.0
72.08140	0.5
79.05483	3.3
81.03407	1.0
81.07039	2.5
83.04945	0.9
84.08133	1.3
85.02880	1.0
86.09692	1.3
89.43049	0.5
91.05463	4.0
93.07045	2.5
94.04177	2.8
94.06549	1.0
95.04940	1.7
95.08582	1.8
97.06532	1.0
99.04411	0.7
103.05450	8.4
105.07018	5.6
107.04916	1.8
107.08585	0.6
109.06509	2.3
109.10142	1.1
111.04449	0.5
111.08050	0.6
114.46366	0.5
115.05472	1.1
117.06979	1.4
119.04933	1.3
119.08562	1.2
120.08064	0.5
121.06518	2.8
121.10130	0.7
122.03617	8.7
122.06035	1.1
123.08061	0.6
123.11665	0.5
124.07547	0.6
125.05911	0.6
125.09611	0.7
129.06902	0.9
131.04909	11.3
133.06473	16.1
133.10114	0.6
135.08026	6.8
135.11636	0.8
137.05954	100.0
138.06303	1.5
140.07053	1.4
142.97539	0.5
143.08525	0.7
144.04446	1.0
145.06483	2.5
145.10071	0.5
146.05992	0.5
147.08018	1.3
149.05966	1.4
151.03961	0.7
151.07516	4.4
153.09071	0.9
155.07031	0.6
157.06454	1.3
161.05956	1.9
163.07518	30.3
164.07915	0.7
165.06987	0.7
165.09068	0.8
165.18283	0.5
167.07047	0.9
171.08035	1.0
172.03894	2.5
175.07545	1.3
177.09099	1.1
187.07576	0.7
189.09052	1.2
191.06979	0.9
193.06392	0.9
203.05254	0.5
203.07014	1.1
203.10672	2.0
204.06541	5.2
205.06740	0.5
205.66776	0.5
206.08098	0.6
210.06766	0.8
217.10138	0.5
221.05919	1.3
225.09012	1.1
235.11171	0.9
238.06107	0.6
239.07397	0.4
245.12762	1.0
253.08615	1.9
263.10596	0.8
267.10147	0.8
270.08762	0.5
285.11078	4.6
295.09647	1.3
295.13278	3.1
296.13550	0.5
299.10190	0.9
309.11267	0.7
312.10056	0.5
313.10928	1.0
327.08871	0.6
327.12677	4.4
327.15878	1.2
345.05945	3.9
345.10367	1.9
345.13824	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	345.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	0.6
67.05491	2.8
68.05001	0.9
69.07058	4.3
69.52551	0.4
69.52879	2.6
69.53291	1.0
79.05463	0.5
80.04997	1.3
84.08139	1.0
89.03898	1.0
91.35419	0.4
93.05773	0.6
94.06551	14.6
95.04938	1.5
97.06544	0.4
98.06042	0.4
98.21471	0.8
108.08089	1.7
110.06030	1.5
112.07593	2.2
116.04951	6.2
118.06543	1.1
122.06007	26.5
123.04395	1.4
123.06336	0.7
124.07526	0.6
134.06012	0.4
134.09375	0.4
137.05965	0.6
140.07036	36.3
141.07661	1.3
144.04410	14.5
146.05966	8.4
147.06755	0.9
148.07596	0.6
154.08551	0.8
157.41243	0.4
162.05464	7.5
172.03900	58.7
173.04277	1.9
174.05460	3.5
178.08580	1.1
185.60051	0.5
190.04909	2.1
204.06519	100.0
205.06905	3.1
206.08084	20.0
207.08391	0.6
298.86157	0.4
300.12253	1.5
313.11761	3.1
327.13284	1.2
331.12753	2.9
345.14404	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	345.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.4
55.01858	0.9
55.05499	1.9
55.62151	0.3
57.03419	0.4
60.04515	0.3
65.03918	0.5
67.05495	2.9
68.05016	0.8
69.03406	0.9
69.07049	6.1
69.29841	3.3
70.06559	0.3
71.04984	0.7
72.08118	0.8
73.02901	1.0
79.05460	2.1
80.04996	1.6
81.03391	0.6
81.07029	2.9
83.04946	0.4
83.08601	1.5
84.08128	0.7
85.02882	0.7
86.09683	1.3
87.10084	0.3
89.03902	1.2
91.05453	1.4
93.05775	0.8
93.07019	2.5
94.06551	14.1
95.04947	2.3
95.06895	0.4
95.08581	3.2
97.06498	0.8
97.10133	0.7
99.04417	0.6
99.08081	2.6
103.05440	0.5
105.07011	1.0
107.08562	4.1
108.08085	1.8
109.06497	0.6
109.10146	1.1
110.06003	1.9
111.08047	1.1
112.07588	2.3
116.01669	0.5
116.04961	4.9
118.06477	0.8
119.08543	0.7
121.10114	6.2
122.06003	27.7
123.04428	1.5
123.06343	0.7
123.08001	0.5
123.11646	0.3
123.83926	0.3
124.07524	0.5
125.09594	1.3
131.04897	0.8
133.06476	0.8
134.05980	0.6
135.08009	1.0
135.11664	1.6
136.07516	0.3
137.05956	4.7
137.09587	0.4
137.13190	0.9
140.07036	38.0
141.07806	0.8
142.03195	2.7
144.04416	12.9
145.04932	0.4
146.05975	8.5
147.06732	0.4
148.07536	0.6
151.07549	0.4
153.09074	0.6
154.08545	0.4
159.08366	0.8
162.02200	0.7
162.05482	7.1
163.06076	0.4
163.07497	0.9
167.06984	1.1
170.02705	1.2
172.03900	57.7
173.04262	1.9
174.05489	3.8
176.07039	0.4
177.16351	13.3
178.08588	1.1
178.16704	0.3
183.06488	0.6
184.07341	0.4
186.16727	0.4
189.04269	0.4
190.04936	2.1
191.07085	0.3
192.06552	0.5
195.17404	3.6
204.06519	100.0
205.06914	4.3
206.08087	18.8
207.08401	0.9
211.07455	0.3
213.18456	6.9
227.04729	0.3
235.07306	0.4
245.05833	0.7
249.08981	0.3
285.11200	0.6
295.09897	0.4
299.09271	0.7
300.12341	1.9
313.11679	2.7
327.13089	1.7
328.11633	0.4
331.12726	3.3
345.06064	0.9
345.10379	0.5
345.14355	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	345.1327
Annotation	Chushizisin F
Peak:m/z	Relative Intensity
53.03920	0.9
55.01853	1.9
55.05486	1.7
57.03423	1.2
59.44437	0.9
62.18764	0.8
65.03915	4.2
68.02640	1.2
69.07049	1.1
69.77257	3.3
69.77688	3.1
71.01286	0.9
71.04958	0.9
79.05442	1.1
81.03416	1.7
81.07025	2.6
83.04990	1.7
85.02862	2.6
85.06507	0.9
91.05463	1.7
93.03391	2.3
93.07016	1.7
93.51560	0.9
95.08561	1.9
96.02074	4.0
105.06998	1.2
107.01293	2.0
109.02866	1.2
109.10125	1.6
111.03686	1.8
111.04416	25.3
113.02280	1.0
114.17984	1.0
117.06969	1.4
123.04399	1.8
123.11697	1.1
128.06189	1.0
129.06981	2.1
131.04872	2.2
131.08525	1.2
137.02382	0.9
137.05933	2.0
139.03868	16.9
141.06935	1.9
144.05693	2.6
145.06453	4.0
146.07175	1.4
147.04405	2.0
152.06180	1.8
153.05472	1.9
153.06972	3.9
154.07703	1.8
155.04860	1.4
155.08508	1.4
157.06468	5.0
159.08041	6.5
160.08884	4.8
161.05962	6.2
161.09538	2.6
165.07001	3.6
165.09090	1.0
167.03363	5.2
167.08508	2.4
168.05650	4.1
169.06429	3.2
170.07240	1.2
171.07954	1.4
173.06006	2.0
174.06752	1.1
175.07538	1.4
177.09076	1.2
178.07663	2.6
179.03325	1.0
179.08517	6.7
181.06458	5.9
181.10101	1.2
182.07242	1.6
183.08003	4.7
184.05145	1.3
185.05945	6.9
185.09506	1.8
187.07578	5.1
188.08282	8.2
189.07045	1.7
189.09035	1.6
191.08640	1.1
193.06458	1.6
195.08002	6.4
196.05180	5.1
196.08829	4.5
197.05943	3.6
197.09502	2.7
198.06712	16.7
199.07419	2.6
200.08263	2.3
202.16000	1.0
204.06517	1.2
206.07256	2.8
206.09253	1.1
207.07990	7.3
208.08830	2.7
209.05942	3.3
209.09479	2.3
210.06715	4.2
210.10307	1.2
211.05739	1.5
211.07521	12.7
211.11133	4.3
212.08241	1.4
213.05455	9.9
213.09081	4.4
215.07045	2.0
221.09555	3.1
223.07555	6.8
224.04704	2.5
224.08318	5.7
225.05414	3.6
225.09068	4.3
226.06169	5.8
227.06952	4.9
227.10657	1.0
228.07724	3.6
234.06793	2.1
235.07594	6.2
236.08208	4.2
237.05414	2.1
237.09076	1.8
238.06178	2.6
238.09888	11.1
238.12195	2.0
239.06990	22.3
239.10591	14.8
240.07689	9.9
240.11217	1.4
241.04916	6.3
241.08516	11.7
242.09018	1.2
243.06471	15.1
243.10167	1.7
244.06837	1.3
249.09082	3.9
251.06998	3.3
252.03998	1.3
252.07848	5.6
253.04851	2.0
253.08531	10.8
253.12140	5.2
254.05803	1.5
254.09148	0.9
255.06418	2.9
255.10036	1.3
256.07266	20.9
256.10883	3.9
257.07834	2.2
258.08881	2.6
264.07974	1.2
265.08517	1.3
266.09329	1.8
267.06543	4.6
267.10092	31.2
268.07251	21.7
268.10635	4.4
269.08035	22.4
270.08533	2.0
271.09793	7.8
271.12863	6.2
272.13544	1.1
277.08240	1.2
280.07288	1.4
281.08041	3.9
281.11700	4.0
283.09573	1.9
284.06772	3.5
284.10355	9.7
285.10938	2.2
286.08298	6.9
295.06427	1.3
295.09515	9.5
296.10394	11.6
297.11066	1.1
299.09167	100.0
299.12686	17.4
300.09491	7.3
309.11380	1.3
312.09903	3.1
313.03287	3.2
313.10611	17.5
314.11093	2.8
317.13922	1.9
327.12207	83.1
328.12518	4.6
345.13257	74.1
345.17505	2.6
346.13611	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	345.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04316	0.4
55.05487	0.5
65.03925	0.7
67.05500	2.5
68.05006	1.1
69.03410	0.6
69.07061	4.0
69.68719	2.3
69.69131	1.0
70.06543	0.7
71.59172	0.4
72.08126	0.9
73.65917	0.4
79.05467	1.0
80.05003	0.7
83.04958	0.4
84.08147	1.0
85.02870	1.0
86.09677	1.0
89.03906	0.5
91.05460	0.7
92.04930	0.5
93.05741	0.9
93.07035	0.8
94.06548	13.9
95.04943	2.4
96.04470	0.6
98.21492	0.7
101.09075	0.6
104.24223	0.4
107.04953	0.7
107.08569	0.4
108.08086	1.4
110.06013	1.5
111.04468	0.5
112.07582	2.0
116.04964	5.1
120.08101	0.6
121.06462	0.5
122.06002	27.3
123.04419	1.5
123.06310	0.6
129.10204	0.7
135.08009	0.5
137.05939	2.0
138.09183	0.5
140.07036	40.8
141.07539	0.9
144.04417	12.9
146.05986	8.0
148.07480	0.7
162.05478	6.3
163.11163	0.6
172.03899	54.6
173.04233	1.7
174.05490	4.1
178.08527	0.9
183.13777	1.6
190.04936	1.5
204.06520	100.0
205.06900	3.6
206.08084	19.0
206.12451	0.6
210.30638	0.6
252.08034	0.5
300.12271	1.2
313.11676	2.8
327.13232	1.5
331.12802	2.7
345.10696	0.6
345.14459	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	345.1326
Annotation	Chushizisin F
Peak:m/z	Relative Intensity
53.03914	1.9
65.03917	5.2
66.86153	1.5
69.07061	1.6
69.63905	9.7
70.06576	1.4
70.98956	1.2
79.05444	2.6
81.07036	3.0
85.02852	2.1
91.05464	2.2
93.03386	2.5
93.07001	2.0
94.46889	1.2
95.04912	2.3
95.08572	2.4
96.02091	5.9
97.02886	1.6
105.06995	1.9
107.01297	3.0
107.04961	1.8
109.10111	1.9
110.26184	1.4
111.04415	27.5
115.05354	1.5
119.08519	1.2
123.04397	1.7
128.06209	2.0
129.06995	2.9
131.04895	2.6
133.06493	1.8
134.13185	1.2
137.05969	11.4
139.03885	14.5
139.05371	1.2
141.06943	2.1
144.05637	1.6
145.06451	3.3
151.07477	2.0
152.06172	1.4
153.05440	2.8
153.06979	3.9
155.08504	2.9
157.06412	3.8
159.07997	5.8
160.08775	4.3
161.05940	6.5
161.09538	2.4
162.06673	1.6
163.07523	3.3
165.06947	4.4
167.03351	7.1
167.08559	3.0
168.05647	3.0
169.06451	4.1
169.10069	1.4
174.06738	1.4
178.07765	4.2
179.08554	5.7
181.06429	7.3
182.07208	2.1
183.08034	5.2
185.05934	4.7
187.07501	6.2
188.08299	10.0
189.09009	3.6
189.25529	1.4
191.06912	2.0
191.08513	2.1
192.06418	2.9
195.08041	6.1
196.05159	3.9
196.08807	3.9
197.05905	3.1
197.09506	3.1
198.06735	16.6
199.07512	3.1
200.08302	4.0
207.08005	7.2
208.08722	2.7
209.05917	4.6
209.09544	2.6
210.06671	4.4
211.07558	11.6
211.11115	7.1
212.08171	2.2
213.05511	7.4
213.09052	5.4
221.09593	3.8
223.07530	6.8
224.04648	3.7
224.08308	5.6
225.05502	1.7
225.08954	3.1
226.06187	5.5
227.06886	7.0
228.07741	4.9
228.11459	1.6
234.06728	1.7
235.07471	5.4
236.08231	3.3
237.09102	3.2
238.06151	2.7
238.09868	10.1
239.06984	20.5
239.10605	16.2
240.07727	10.8
241.04907	5.8
241.08508	12.1
243.06477	15.2
249.09012	4.1
251.07028	3.0
252.04156	2.9
252.07782	4.1
253.04620	2.1
253.08504	9.4
253.12169	3.9
255.06476	4.3
256.07263	17.9
256.10803	2.6
257.07889	2.3
265.08569	2.0
266.09320	2.1
267.06583	4.2
267.10110	33.1
267.12805	2.7
268.07300	24.9
268.10391	3.0
269.08017	24.9
271.09610	5.5
271.13293	5.9
275.31458	1.4
281.07956	4.4
281.11594	3.5
283.09695	1.5
284.06772	4.6
284.10373	10.3
285.11246	2.2
286.08282	6.8
294.09113	1.9
295.09412	9.9
296.10349	12.0
299.09149	100.0
299.12677	18.6
300.55719	1.6
309.11273	2.6
312.09848	3.0
313.10663	23.5
317.13791	2.7
327.12201	88.5
328.12619	2.6
345.13260	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	344.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.9
55.01860	3.4
55.05491	6.2
56.87235	1.6
57.03422	11.3
67.05177	1.6
67.05495	23.4
69.03421	2.2
69.07059	35.3
71.04980	14.6
71.12280	1.7
71.12604	1.7
72.08118	1.4
73.02892	3.7
79.05476	30.0
80.05814	1.3
81.03404	12.5
81.07042	27.1
82.07383	1.3
83.04956	5.6
83.08611	3.8
85.06522	2.5
91.05459	17.6
93.07022	23.5
95.04961	19.7
95.08601	15.9
97.02827	1.5
97.06513	100.0
97.10140	2.2
99.08060	5.3
105.07018	13.5
107.04916	5.0
107.08573	12.2
108.73452	1.3
109.06499	8.6
109.10145	6.3
111.08038	3.7
113.05946	1.8
115.07545	31.7
117.07002	9.0
119.08571	10.8
121.06483	3.4
121.10109	7.3
123.08041	4.0
123.11726	1.6
123.50783	1.2
125.09600	2.2
128.06180	1.3
129.07004	2.7
131.08566	7.7
133.06458	1.8
133.10085	8.1
135.08037	3.3
135.11638	5.7
137.09592	1.6
143.08533	4.5
145.10101	7.0
147.08003	2.9
147.11662	3.1
149.09576	3.2
149.13199	4.9
151.11119	3.4
155.08539	1.5
157.10086	4.2
159.11644	7.3
161.09608	3.5
161.73584	1.1
163.11189	1.9
165.09114	2.2
169.10025	1.5
171.11633	2.8
173.13219	1.7
175.11137	2.1
177.12660	6.3
185.13203	2.2
192.64705	1.4
195.12152	1.1
195.13805	7.7
195.88078	1.1
205.12286	1.6
219.13666	2.1
221.15379	1.6
223.13283	3.3
227.17746	1.6
255.17314	1.5
263.19965	2.0
273.18457	5.6
291.19431	5.3
309.20566	2.2
344.25092	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	344.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	10.2
53.55819	3.6
55.01865	8.1
55.05499	63.0
57.03416	22.4
57.07062	5.3
59.04988	4.4
65.03909	5.4
67.05492	57.8
69.03404	10.2
69.06771	2.9
69.07057	30.2
69.95720	10.5
69.96122	8.3
70.06567	4.7
70.23562	3.1
71.04990	24.5
72.08155	4.3
79.05479	85.4
81.03399	33.9
81.07044	53.3
82.06576	3.6
83.04949	14.1
83.08599	35.6
84.08138	4.0
85.02882	7.7
85.06528	8.6
89.06005	3.6
91.00007	3.3
91.05460	43.3
93.06470	7.0
93.07029	100.0
95.04955	42.5
95.08591	54.6
97.06502	15.8
97.10143	55.7
103.15065	3.8
105.07024	26.3
107.04933	14.2
107.08580	38.0
109.06503	20.5
109.10126	22.5
111.08018	8.5
113.05981	18.5
116.97918	3.3
117.06987	14.9
119.08562	25.2
121.06487	10.4
121.10114	32.4
123.08062	32.3
125.09609	51.7
127.03947	4.7
129.07008	10.3
131.04903	4.7
131.08548	16.1
133.06400	4.6
133.10104	14.8
135.08003	17.0
135.11650	15.0
137.05899	5.9
137.09573	12.9
137.34866	3.5
143.08536	10.9
145.06497	3.7
145.10092	12.4
146.10512	3.8
147.08028	7.5
147.11667	4.0
149.09538	7.2
149.13248	5.3
151.11151	4.4
153.09062	8.1
154.12196	8.9
155.08493	3.5
157.10036	7.5
159.08076	4.4
159.11617	13.1
161.13025	4.5
163.11183	7.3
165.09088	4.5
167.03479	4.0
171.11536	5.8
173.11725	6.9
173.13109	4.6
175.11282	3.9
177.12650	8.5
183.11664	3.6
185.13190	5.1
187.11131	7.1
189.11188	45.9
189.12747	6.2
195.13631	7.4
202.16672	3.7
217.15781	9.7
221.15283	12.0
223.13249	33.5
273.18423	15.8
291.19473	26.7
299.08969	9.2
308.22025	6.0
309.20499	8.1
313.10574	8.5
327.12210	8.2
344.12201	4.2
344.15939	8.0
344.24216	10.7
345.13257	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.2
55.05486	7.7
57.03423	26.8
57.07059	3.0
59.04984	3.4
61.82287	2.3
66.63233	2.2
67.05492	20.1
69.03404	5.1
69.07040	8.1
70.06553	6.3
71.04969	3.9
71.27026	3.5
72.08131	5.5
72.60851	2.8
77.89291	2.1
79.05460	9.3
81.03397	3.6
81.07050	18.0
83.04971	3.8
83.08584	2.9
84.08125	4.1
85.02870	5.6
85.06538	21.7
91.05458	7.3
93.07038	11.9
93.43697	2.6
94.06550	2.7
95.04955	33.9
95.08585	12.4
97.02927	3.3
102.05522	3.5
105.07010	10.0
107.04932	5.4
107.08566	9.1
108.08152	2.5
109.06480	9.1
109.10113	4.2
111.04413	6.9
111.08064	5.2
113.05988	100.0
117.07029	3.0
119.04863	3.6
119.08564	7.2
120.08062	3.8
121.10063	3.8
124.07555	3.5
129.06979	3.0
131.04901	4.3
131.08537	7.2
133.10158	3.9
135.08020	7.3
135.11674	6.1
137.05939	13.8
139.03870	4.9
143.08435	2.5
144.04359	2.9
145.10049	4.7
147.04376	2.9
148.06004	6.5
148.12016	3.8
149.09531	2.6
157.10030	3.9
161.06023	3.3
163.11084	6.9
165.09076	6.0
171.11646	2.7
172.03922	10.3
175.07541	3.6
177.12700	2.6
188.08180	2.8
188.71886	2.7
191.06963	3.6
195.13651	3.4
198.06804	3.7
199.14761	2.7
204.06567	12.3
211.07434	5.4
213.94765	2.7
214.27156	2.5
217.15828	3.6
235.07664	3.2
239.06822	4.0
240.07741	2.4
241.08519	3.2
253.08553	4.2
256.07129	3.0
267.10205	8.6
268.07153	4.3
269.07925	6.2
273.18405	10.7
291.19464	23.7
295.09683	3.5
299.09161	21.8
299.12500	4.5
309.20685	4.2
313.10706	14.4
327.12225	19.7
344.11981	3.3
344.24872	6.0
345.10181	2.9
345.13370	26.7
345.29327	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76550	4.3
55.01846	5.5
55.05497	30.6
57.03420	17.4
57.07050	5.2
63.33704	4.5
65.03943	4.7
67.05161	8.6
67.05493	97.7
69.03419	11.4
69.07053	56.2
69.20915	55.7
71.04980	25.0
72.08167	7.4
73.02901	4.9
73.38287	4.6
79.05479	100.0
81.03402	31.9
81.07037	76.8
83.04958	14.5
83.08609	14.0
84.08123	5.2
85.02907	6.5
85.06504	7.6
87.04454	12.1
91.05468	50.9
93.07030	72.3
95.04956	44.8
95.08588	95.4
97.06527	47.2
97.10130	8.9
105.07008	37.9
107.04960	9.9
107.08572	89.1
109.06499	20.4
109.10139	44.7
111.04441	5.5
111.08029	9.6
115.03908	9.7
115.07546	24.7
116.82809	5.2
117.06997	16.3
119.08552	40.3
119.21973	4.9
121.06456	6.6
121.10110	30.0
123.08033	12.1
123.11727	8.6
125.08760	6.3
125.09631	17.8
125.51186	5.1
129.06938	8.8
131.08525	24.8
133.06387	5.8
133.10097	27.7
135.08044	14.0
135.11670	11.0
137.09631	21.9
139.11113	5.7
143.10652	5.4
145.10117	18.2
147.08057	8.7
147.11644	10.3
155.10657	5.4
157.10095	5.9
159.07964	6.1
159.10101	17.7
159.11641	13.8
161.09575	5.3
161.13200	8.1
163.11324	5.2
171.10152	24.0
171.11481	6.4
173.11760	6.0
181.12268	6.9
185.13272	5.2
186.78821	5.6
189.11182	6.2
195.13657	5.1
212.16321	4.6
223.13193	7.3
227.12813	6.7
239.12785	5.0
245.18835	11.2
263.20023	10.4
273.18503	10.4
286.07913	6.6
291.19406	30.6
299.08954	7.1
309.20569	6.5
313.95050	4.5
314.07376	24.5
322.67242	5.8
329.09457	4.9
344.11990	25.2
345.13278	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	344.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.6
55.01854	0.9
57.03408	0.9
61.02905	1.5
69.03423	3.5
69.55614	2.9
69.56019	1.0
70.06569	2.0
72.08134	2.5
81.03410	1.4
82.06580	0.6
84.04478	0.7
84.08118	1.8
85.02892	16.8
86.09680	2.4
88.03989	0.7
89.06007	1.1
91.05441	4.3
95.04985	0.7
97.02859	3.8
98.21483	1.1
99.04430	0.7
100.07588	1.4
103.05460	0.5
109.02847	1.2
109.25760	0.6
116.07068	2.0
119.04919	18.2
120.05278	0.7
120.08087	0.9
122.02724	2.1
123.04385	2.9
127.03894	3.1
129.10262	0.7
131.08540	0.8
133.08545	0.9
137.05893	0.6
143.04889	1.3
145.04916	4.5
147.04382	100.0
148.04739	1.9
161.05962	1.7
165.05447	67.0
166.05855	1.0
171.04385	1.2
175.07469	2.7
177.05458	1.2
177.11349	0.6
180.08623	1.8
182.08101	1.5
187.07542	0.9
189.05484	1.0
191.06999	1.7
193.41417	0.6
203.07014	4.1
231.06499	0.9
245.08020	0.8
249.07545	8.1
273.07452	1.4
291.08615	1.1
309.09735	0.9
343.31104	0.6
344.13330	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	3.5
55.05504	1.6
56.05023	2.0
58.99572	9.5
60.04503	1.7
65.84492	1.1
67.05470	1.0
69.03407	2.6
69.07038	2.4
70.06579	11.5
71.53845	1.6
72.02486	1.0
72.08144	15.7
74.06071	1.3
76.02214	20.3
79.05476	5.4
81.03397	1.2
81.04626	1.0
81.07040	2.3
82.06556	1.3
84.04489	3.6
84.08124	5.5
84.82384	0.9
85.02880	2.0
86.09694	15.8
86.99036	6.9
87.04429	1.1
88.03982	3.8
89.06017	23.0
91.05462	16.3
93.07030	6.5
95.04952	2.3
95.08595	1.2
97.02888	1.7
100.07610	2.3
103.05453	1.8
105.00079	12.4
105.07009	18.0
106.02890	1.5
106.05081	0.9
107.04918	3.6
107.07169	1.2
107.08553	3.6
109.06506	1.4
111.04403	1.5
115.05425	3.0
116.06283	2.3
116.07069	5.3
117.07005	11.4
118.06509	2.1
119.04906	2.3
119.08542	3.9
120.08094	1.8
121.06477	15.2
121.10120	3.4
122.02705	100.0
124.03928	3.1
125.06004	1.5
129.06972	3.2
129.10223	1.8
131.04906	3.0
131.08542	45.4
131.11140	1.1
132.08868	1.3
133.06482	1.9
133.08595	13.0
133.10081	5.5
134.05956	2.3
135.08041	2.9
136.07556	4.6
137.05910	2.2
141.06973	1.5
143.04897	4.9
145.06511	1.2
146.05963	4.4
147.04385	2.4
147.08089	1.0
149.05969	2.6
149.09590	12.9
151.03769	1.1
153.05441	1.7
153.09029	1.4
159.08035	22.0
160.05200	1.8
161.05933	5.3
161.09560	6.7
163.07533	1.6
164.07008	1.1
165.05452	1.2
171.04413	3.2
175.03848	2.2
175.07494	8.8
175.10719	1.6
177.05515	9.8
177.09082	56.0
177.11201	3.5
179.07054	2.0
187.07483	15.6
189.05429	1.8
191.05219	2.0
191.06920	2.1
195.06505	1.7
201.12296	1.5
203.06990	12.5
205.08542	5.4
205.12216	1.2
207.06497	4.6
215.06871	1.1
217.05000	1.5
217.13422	1.3
219.06543	1.6
221.08040	3.4
223.09682	3.2
227.07027	3.2
231.06502	3.5
245.08035	2.9
245.12941	1.6
249.07544	22.7
273.07526	6.0
283.17618	1.5
291.08612	2.9
309.09650	8.7
327.20102	11.5
343.31378	1.4
344.11624	2.4
345.11087	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1019
Annotation	Hyrtiosulawesine
Peak:m/z	Relative Intensity
50.96724	0.2
55.05494	0.3
57.03405	0.6
60.63965	0.2
61.02912	0.4
65.56996	0.2
69.03427	2.0
69.07040	0.2
70.06578	1.7
71.04980	0.3
71.51250	0.2
72.08131	1.1
73.02899	0.3
75.74375	0.2
79.05477	0.3
81.03400	0.4
84.04478	0.4
84.08126	1.1
85.02901	3.8
86.09682	0.5
87.04453	0.4
91.03887	0.2
91.05445	0.8
91.73966	0.2
93.07018	0.3
94.02895	0.5
97.02874	1.4
100.73586	0.2
105.07017	1.3
107.04942	0.2
107.08565	0.3
109.02843	0.3
109.05103	0.4
116.07066	0.3
119.04922	1.7
121.06479	0.4
122.06058	0.2
122.09628	0.8
123.04382	0.3
127.03901	0.8
130.08603	0.4
131.04848	0.3
134.04605	6.9
135.02994	0.7
136.07544	0.4
137.05940	2.3
140.02745	0.4
145.04948	0.5
146.05959	0.2
147.04393	8.9
152.05666	2.1
163.03804	0.3
164.07008	0.8
165.02301	2.2
165.05455	4.8
165.11237	0.3
167.02545	0.9
167.07059	0.2
182.04935	100.0
183.05281	2.2
195.34908	0.2
203.06860	0.2
205.69006	0.2
219.03838	0.2
224.05884	0.2
253.15697	0.2
309.10046	0.3
344.10178	26.1
344.29025	0.5
345.10269	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	6.6
57.07084	7.3
67.05495	31.9
69.03414	5.7
69.07053	34.4
71.04975	5.1
71.08607	4.9
71.53078	4.2
79.05475	17.1
81.07045	59.8
83.08601	11.4
85.06516	10.9
91.05463	12.5
93.07030	47.3
95.08596	69.1
97.06528	5.3
97.10179	5.4
105.07018	25.6
107.08566	57.2
109.10147	67.9
111.08058	4.8
111.11698	25.6
119.08553	25.5
121.10129	48.6
123.11674	25.3
125.09599	11.0
127.11172	12.9
131.08530	10.4
133.10121	21.3
135.11661	36.6
137.13220	9.0
145.10114	17.2
147.11678	32.7
149.13231	100.0
159.11700	11.4
161.13228	16.5
163.14771	9.6
171.11699	3.9
173.13214	9.8
175.14807	15.9
177.16383	29.3
187.14835	7.0
189.16333	11.3
191.17955	7.7
195.17444	25.8
199.14749	5.4
201.16374	9.6
203.17870	22.8
213.16476	5.5
215.17888	6.4
217.19519	8.5
229.19543	4.9
257.22726	4.8
269.22586	6.3
298.90454	4.1
325.28830	25.4
343.11664	7.7
343.29974	54.5
344.30075	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	343.299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.8
55.01880	2.7
55.05512	13.3
57.07063	6.0
67.05496	26.4
69.07066	27.8
69.87999	7.3
69.88416	4.6
79.05471	13.4
81.07045	51.0
83.08614	13.1
91.05458	19.9
93.06477	3.2
93.07030	47.5
95.04990	3.0
95.08593	61.9
97.06528	4.1
97.10159	13.6
105.07018	29.9
107.08563	24.2
109.10143	37.7
111.08064	5.4
111.11643	3.0
117.06995	2.4
119.08555	38.5
121.10125	73.5
123.08019	10.0
123.11663	20.0
125.09626	6.6
131.08533	5.8
133.10098	23.2
135.11656	21.0
137.09604	14.5
137.13232	4.6
145.10069	12.6
147.11661	100.0
148.11978	3.8
149.13239	24.1
150.64697	2.6
151.11165	8.0
156.79469	2.1
159.11661	10.4
161.13223	10.8
163.14772	6.8
165.12720	16.3
173.13257	5.2
175.14758	5.7
177.16377	7.5
179.14223	5.6
187.14746	5.0
189.16370	5.8
195.17450	6.7
199.14687	2.3
201.16380	6.6
207.17387	3.3
215.17943	5.5
217.19452	3.9
219.17625	2.2
229.19426	3.6
240.23180	2.4
241.05510	2.0
241.19470	2.9
243.21036	18.7
261.22015	11.9
269.22568	3.9
325.28821	86.7
326.29282	4.1
342.07263	2.5
343.11655	4.0
343.29910	47.9
344.91031	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	343.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19263	1.5
53.03926	1.8
54.84484	1.6
55.01854	3.4
55.05500	22.8
56.27245	1.6
57.03414	4.7
57.07056	5.9
58.97182	1.6
59.04976	3.0
61.02909	1.6
65.03915	1.7
67.05492	18.0
69.03422	11.8
69.07057	100.0
70.06561	3.7
70.07385	1.9
71.04979	4.7
71.08603	2.0
71.11285	2.2
71.11612	2.9
72.08142	2.8
73.02890	2.3
73.06539	1.8
79.05473	11.9
81.03380	4.6
81.07040	65.9
82.07392	2.2
83.04948	5.6
83.08608	12.1
84.08133	3.5
85.02892	15.0
85.06519	12.9
86.09682	3.4
87.04441	7.6
91.05458	11.9
93.07032	22.3
95.04956	22.3
95.08589	42.3
97.02868	5.0
97.06514	9.8
97.10147	5.4
99.04457	2.0
99.08086	8.9
100.07577	2.0
101.05991	5.6
105.07010	14.7
107.04929	5.9
107.08562	21.6
109.02826	3.7
109.06493	7.9
109.10140	29.4
109.15060	1.7
111.04467	1.6
111.08048	4.5
111.11697	27.6
113.09589	2.1
115.05413	2.8
117.06995	2.3
119.04922	5.1
119.08532	11.6
121.06490	5.2
121.10116	16.1
123.04382	5.1
123.08061	4.5
123.11690	28.6
125.05952	2.9
125.09588	3.7
127.03912	4.4
127.11185	5.1
129.07002	2.9
131.04907	3.6
131.08534	2.0
133.02802	7.1
133.10126	8.7
135.08017	5.6
135.11673	13.2
137.05975	14.5
137.09599	4.6
137.13211	6.9
139.11160	27.4
140.04610	2.8
143.08511	2.2
145.04985	3.3
145.10110	10.5
147.04338	4.6
147.11673	5.1
149.05933	2.9
149.13205	4.4
151.03906	1.9
151.07465	2.6
151.11179	3.6
151.14801	1.9
153.12711	8.8
155.14246	2.4
157.06442	2.8
157.10147	3.3
157.12227	2.9
159.11594	3.4
161.05940	9.5
161.13228	7.1
163.03938	5.1
163.07494	7.0
163.11162	28.4
164.11522	3.4
165.06989	1.9
165.12727	6.1
167.07047	4.7
173.09540	1.7
173.93390	1.8
175.03842	2.1
175.07503	6.6
179.14256	2.3
181.04945	15.9
181.08534	7.3
181.12245	12.6
182.10741	1.7
183.13690	3.0
187.11084	2.0
188.06725	2.3
189.09082	7.7
191.03362	20.0
196.09363	5.2
197.13171	2.1
201.05453	3.1
205.11992	1.8
221.06036	2.1
223.07590	1.7
236.07878	2.1
239.06955	2.8
251.19792	1.9
265.08652	3.8
267.06653	2.6
282.08719	5.7
283.09311	1.9
289.25131	4.6
293.08142	2.3
293.11542	3.4
295.26379	11.4
299.12659	2.6
307.26306	22.5
310.08276	2.3
311.09299	2.6
311.12616	7.8
325.10571	4.5
325.14133	3.3
325.27386	10.6
328.09265	2.3
343.04230	2.0
343.07693	6.9
343.11700	19.6
343.15961	26.5
343.22571	2.6
343.26501	2.1
343.31042	3.1
344.12094	4.1
344.16452	4.6
344.24683	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.4
55.01855	3.9
55.05501	20.9
57.03431	3.1
57.07069	10.5
59.04971	2.3
61.02913	2.3
65.03954	2.4
67.05168	2.5
67.05501	34.1
69.03406	8.6
69.07058	84.6
70.02933	4.1
70.06575	4.0
70.07385	3.0
71.04987	9.1
71.05469	2.1
71.08601	5.2
71.19996	2.2
72.08123	2.6
74.02412	2.3
79.05486	20.1
81.03392	5.1
81.07043	100.0
82.07365	2.3
83.04961	7.0
83.08600	16.9
83.78460	2.0
84.08124	3.4
85.02877	5.7
85.06528	12.3
86.09695	2.5
88.03966	8.9
91.05459	18.9
93.06464	3.2
93.07033	46.5
94.07345	2.9
95.04954	12.0
95.08588	75.5
97.02872	3.7
97.06533	9.5
97.10139	7.7
99.08070	6.5
101.05978	3.1
105.07010	28.4
107.08578	36.9
109.06476	6.2
109.09450	3.1
109.10145	46.0
111.04431	2.0
111.08062	7.3
111.11697	19.7
113.06031	2.7
115.07562	3.3
117.06985	5.2
119.08571	21.5
121.06485	4.2
121.10125	29.6
123.07976	2.5
123.11689	43.4
125.06026	4.0
125.09633	3.4
127.11152	5.2
129.06960	3.9
131.08545	5.9
133.10107	15.2
134.04410	3.0
135.07999	3.0
135.11690	21.3
137.05972	10.8
137.09584	3.9
137.13226	18.9
139.11156	18.2
141.12688	3.5
143.08539	2.7
145.10074	8.3
147.11636	15.7
149.13254	16.4
151.03874	2.2
151.11113	5.7
151.14798	4.4
153.12724	3.7
155.10622	3.7
157.12195	2.7
158.45888	1.9
159.11650	7.4
161.05914	3.5
161.13235	9.2
163.07501	4.3
163.11151	21.7
163.14807	6.5
165.12694	7.6
167.07031	3.4
173.13216	3.5
175.07516	4.5
175.14801	5.5
177.16330	6.9
180.55821	1.8
181.04915	5.4
181.08549	4.5
181.12146	5.6
187.14819	3.8
189.09106	5.9
189.16331	3.1
199.45131	1.9
201.16295	3.2
211.07268	2.3
215.17880	4.3
217.08626	3.6
244.13214	1.9
249.05478	2.2
252.33484	2.2
265.08646	2.8
271.24124	5.4
280.15326	7.0
282.08569	2.3
286.04382	2.3
289.25128	7.6
295.26276	5.9
297.03885	3.4
307.26297	19.6
308.14832	7.5
308.26477	2.5
311.12704	4.6
325.27383	4.4
343.04416	11.0
343.11627	11.9
343.15411	4.7
343.26395	1.9
344.15280	2.3
356.13733	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	71.9
57.03419	14.7
57.07063	40.3
62.97264	4.9
65.34898	5.3
67.05493	73.8
69.07051	98.6
70.15520	18.6
71.08610	22.2
75.04470	7.5
79.05481	49.3
81.07040	100.0
83.04952	8.6
83.08599	78.5
83.65291	5.2
85.06548	7.2
85.10157	6.6
91.05468	14.8
93.07018	69.3
95.08589	97.8
97.06520	32.5
97.10166	47.5
100.07578	7.6
105.06953	6.2
107.08563	42.7
109.10128	37.1
111.08073	7.7
111.11690	18.1
111.19086	6.2
121.10110	81.9
123.11694	18.0
125.09615	12.5
130.34737	5.2
134.99530	6.6
135.11678	64.9
137.13213	14.5
139.00203	6.7
139.11121	11.9
145.10091	8.3
149.13263	35.7
151.14793	12.2
163.14813	15.8
177.16313	6.1
233.22575	82.5
234.87726	5.6
240.23207	18.9
251.23685	87.3
252.24089	6.7
258.72244	6.4
269.24747	6.4
321.22949	7.2
325.27377	73.5
327.20020	5.8
343.22665	7.6
343.33942	7.8
344.24536	5.7
344.31839	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	343.2262
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03926	2.8
55.01854	4.6
55.05502	11.2
57.03423	6.5
57.03674	1.6
57.07068	7.3
59.04970	1.8
65.03931	1.6
67.05492	15.8
69.03419	6.3
69.07051	4.7
69.90563	6.7
70.04069	6.1
71.04986	12.6
72.08138	2.0
79.05480	15.3
81.03411	1.8
81.07039	20.0
83.04957	5.2
83.08586	3.7
84.08112	1.4
85.06543	3.8
91.05466	20.9
93.07027	46.1
94.07341	1.5
95.04955	35.6
95.08588	54.2
97.06510	12.5
98.20753	1.4
100.07611	1.5
103.05452	1.6
105.07015	47.8
107.04929	3.6
107.08575	33.8
109.06512	9.3
109.10157	2.4
111.08074	2.3
115.05419	4.2
117.06993	19.3
119.08572	18.0
121.06503	11.6
121.10122	13.5
123.08033	16.1
123.11695	1.5
125.09620	2.5
128.06177	2.0
129.06987	3.2
130.07791	9.4
131.08551	6.9
133.06479	4.1
133.10103	11.5
135.08032	16.9
135.11684	10.2
137.05977	1.8
137.09639	2.1
142.07721	2.3
143.08553	7.0
145.06415	2.0
145.10103	56.5
146.10477	1.6
147.08023	9.0
147.11658	3.7
149.09619	4.6
151.07520	32.9
153.09068	3.0
155.08533	1.5
156.09312	1.6
157.10069	7.4
159.08023	2.0
159.11627	5.9
161.09601	6.8
161.13252	2.9
163.11145	46.1
165.09059	11.7
169.10139	3.6
171.11694	4.0
173.09528	3.2
173.13245	3.3
175.11136	5.4
177.09100	3.5
179.07024	2.6
179.08493	1.5
179.10597	1.9
181.10115	2.0
181.12225	3.3
183.11636	2.1
185.13197	3.2
187.11116	3.7
187.54874	1.4
189.12718	7.7
191.10762	1.6
191.14308	2.5
197.13252	2.7
199.11179	1.9
199.14836	1.7
203.14297	5.2
207.10089	1.9
207.13829	3.9
209.13289	2.0
209.15274	2.8
209.56496	1.4
213.12709	2.0
215.14381	1.9
217.12265	2.9
221.13289	1.2
221.15326	22.5
225.12637	2.3
233.15343	3.8
240.23123	6.1
241.15860	2.2
243.14041	1.4
244.18451	1.4
245.15425	2.6
263.16373	4.8
269.15375	3.3
272.85797	1.4
274.19247	1.7
286.19241	2.8
287.16534	1.6
287.19855	3.1
325.21558	8.6
343.04391	1.8
343.11594	2.4
343.22623	100.0
344.23019	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	343.2261
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
50.71531	1.4
53.03933	3.2
55.01858	3.5
55.05500	14.4
57.03413	6.0
57.07071	6.7
59.04987	4.6
65.03914	2.2
65.88318	1.3
67.05161	2.1
67.05492	20.5
69.03413	9.4
69.07057	7.8
69.64114	4.0
69.64525	5.3
71.04984	18.4
75.71351	1.3
77.03906	1.8
79.05482	20.1
81.03374	3.0
81.07044	24.9
81.22577	1.5
83.04955	5.6
83.08610	4.3
85.06517	3.8
87.04457	1.8
89.17902	1.4
91.05467	26.4
93.07027	57.2
94.07339	1.7
94.33488	1.4
95.04950	47.4
95.08592	61.7
96.08950	1.5
97.06506	15.5
97.10141	1.4
98.20802	2.0
100.07555	1.4
103.05425	2.8
105.07011	68.9
106.07321	2.1
107.04913	3.6
107.08578	40.3
109.06503	12.6
109.10153	7.8
111.08047	2.2
115.05421	5.2
116.06195	2.2
117.07001	23.6
117.07764	2.6
119.08562	27.3
121.06475	14.0
121.10127	15.1
123.08044	22.1
123.11604	1.6
125.05943	2.2
125.09597	1.6
128.06197	3.2
129.06963	5.6
130.07777	12.5
131.08575	8.7
133.06480	5.6
133.10112	15.8
135.08022	22.1
135.11687	13.9
137.05948	2.0
137.09586	5.9
141.06993	2.9
142.07756	4.1
143.08554	11.0
145.06468	3.1
145.10100	71.8
146.10471	1.4
147.08054	13.6
147.11679	6.0
149.09625	6.9
151.07523	34.5
152.22003	1.4
153.09096	3.8
155.08504	4.1
155.10596	3.3
156.09373	2.0
157.10112	13.1
159.07993	4.7
159.11664	8.2
161.09572	8.7
161.13240	4.6
163.07495	1.6
163.11151	54.8
165.09084	16.2
169.10066	4.8
171.11630	6.2
173.09607	5.1
173.13188	4.3
175.11128	8.0
177.09122	4.9
179.06940	3.0
181.10133	2.4
181.12199	2.7
182.09404	1.4
183.11696	3.2
185.13220	2.8
187.11163	6.1
187.14848	2.5
189.09111	2.0
189.12677	9.9
191.10574	1.8
191.14363	3.1
195.11641	3.4
197.13251	4.9
199.11191	2.6
201.12811	3.0
203.14304	7.1
207.10072	2.4
207.13802	5.7
209.13367	2.8
209.15331	4.1
212.43604	1.4
213.12759	1.6
215.14308	3.5
217.12129	2.0
221.13350	2.8
221.15346	24.8
223.14774	3.5
225.16273	1.9
233.15244	4.1
240.23239	6.3
241.15961	2.4
243.32393	1.4
263.16370	4.8
269.15417	3.2
271.16891	1.9
274.19095	1.9
286.19345	3.6
287.19791	2.7
297.22113	1.5
299.20038	1.6
307.20486	3.2
325.21552	13.2
343.22623	100.0
344.22864	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	343.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.5
55.01858	2.4
55.05498	1.6
57.03427	3.0
57.34065	0.8
57.78108	0.9
61.02911	3.1
67.05485	1.5
69.03419	12.7
69.07064	2.2
70.06589	1.4
71.01811	2.0
71.04984	2.2
72.08151	1.2
73.02903	2.6
79.05453	4.4
81.03400	4.1
81.07040	8.4
83.04958	5.4
85.02893	30.9
86.09679	1.4
87.04433	2.4
91.03938	3.3
91.05466	3.2
93.07043	9.0
95.04951	20.6
95.08611	2.0
97.02869	9.0
97.06523	3.2
99.04447	3.2
103.03932	1.1
105.07021	8.7
107.04925	1.3
107.08566	10.1
109.02851	3.1
109.06469	2.6
117.06989	3.1
119.08582	4.6
121.06503	3.8
121.10120	11.0
123.08015	1.0
125.05968	14.2
127.03890	8.2
130.07768	2.8
132.47736	1.0
133.06520	1.4
133.10100	1.1
135.08078	1.5
135.11699	6.0
137.05936	2.3
141.30663	0.9
145.04941	8.2
145.10098	19.7
157.90817	0.9
161.09567	1.5
163.11154	100.0
163.26482	0.9
164.11501	3.1
165.12750	2.2
175.11244	1.4
181.04987	1.7
181.12207	17.9
201.11237	1.0
223.13344	2.2
259.13300	0.9
271.13000	1.0
287.83795	0.9
304.61569	1.1
325.16586	1.0
343.17615	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	343.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.9
55.01879	3.3
55.05504	14.2
57.03417	5.8
57.07054	2.5
61.45218	1.4
65.03918	1.5
67.05496	35.0
67.50847	1.2
69.03401	6.1
69.07053	21.3
69.34703	1.4
70.06575	3.6
70.29760	6.2
71.04983	8.2
72.08130	3.0
79.05484	20.7
81.03373	2.0
81.07046	97.8
82.07360	1.9
83.04967	8.2
83.08611	10.4
84.08127	2.5
85.02890	7.4
85.06511	6.6
86.09694	2.7
87.04470	2.8
88.16476	1.4
91.05464	31.7
93.07029	20.9
95.04955	9.9
95.08590	30.0
97.02863	6.4
97.06522	9.8
97.10151	1.6
99.04415	1.7
99.08057	6.1
101.05996	1.6
105.07011	50.6
105.68720	1.4
107.04952	2.7
107.08579	24.2
109.02841	1.9
109.06492	11.2
109.10119	8.3
111.08035	4.2
115.03909	4.5
115.05374	2.2
117.07042	2.3
119.08562	42.7
121.06471	2.8
121.10120	30.4
122.10390	1.5
123.08037	6.3
123.11689	30.2
125.05991	2.1
125.09669	1.6
127.07544	5.1
129.06966	3.8
131.08559	3.5
133.02853	3.6
133.06395	2.4
133.10065	5.5
134.16536	1.5
135.08040	2.6
135.11656	2.4
137.05968	9.9
137.09618	1.7
137.13228	5.1
139.00266	1.4
141.09134	1.4
143.08495	2.0
145.10106	5.1
147.04382	1.9
147.11664	100.0
148.11960	4.1
149.05978	2.0
149.13206	1.8
151.07503	2.4
157.10088	4.0
161.05925	4.3
162.06812	1.6
163.07498	5.4
163.11180	13.8
165.12726	81.4
166.13118	2.0
167.07082	2.2
169.04942	2.4
173.09579	1.7
175.07500	4.4
175.11124	5.8
181.04912	5.7
181.08588	3.5
181.12193	4.9
183.13797	8.7
189.09064	3.3
193.12224	8.4
205.71324	1.5
211.13229	1.6
229.14323	21.7
233.15536	1.6
236.08827	1.4
241.08356	1.5
252.07680	1.5
265.08453	2.6
269.08075	1.5
276.95645	1.6
279.15863	5.9
283.09537	2.4
284.39194	1.4
297.11145	4.1
297.16953	26.6
307.15286	2.9
311.12704	3.5
315.12228	2.2
325.10635	2.6
325.16415	42.6
326.16693	1.9
328.09546	1.7
340.44659	1.4
343.03854	1.7
343.11731	8.3
343.15884	6.4
343.26443	2.4
343.30927	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	343.1534
Annotation	Jamesoniellide D
Peak:m/z	Relative Intensity
54.12953	0.4
55.01858	1.3
55.05499	1.2
56.05843	0.4
57.03443	0.8
57.07076	0.7
59.42952	0.4
63.39506	0.4
65.03922	0.7
67.05485	1.7
69.03419	2.1
69.07055	1.0
69.46327	3.8
70.06591	2.4
71.04980	1.1
72.08134	3.2
76.07092	0.5
79.05489	2.6
81.03413	1.9
81.07050	2.3
83.04984	0.8
84.04500	0.5
84.08121	0.7
84.08987	0.4
85.02880	3.4
85.55896	0.4
86.09682	1.9
89.06004	1.2
91.05458	6.0
93.07029	2.4
94.04174	2.4
95.04939	2.9
95.08597	1.3
97.02856	1.1
97.06554	0.6
100.07602	1.7
100.11275	0.5
103.05444	7.1
103.59238	0.5
104.06245	1.6
105.07002	2.7
107.04947	2.5
107.07086	1.4
107.08574	1.7
109.02900	0.7
109.06519	1.2
109.10151	0.7
115.05452	5.5
116.75796	0.5
117.07006	3.2
119.04916	1.5
119.08559	6.3
121.06503	1.4
121.10143	1.4
121.94118	0.5
122.03629	7.9
122.07221	0.5
123.08049	1.2
124.07582	2.5
125.06040	0.6
125.09588	0.5
127.03813	0.7
128.06219	1.8
129.06966	3.4
129.07857	0.6
131.04900	9.3
131.08478	0.7
132.05688	6.2
133.02885	1.1
133.06439	1.0
133.10088	0.7
135.07999	0.6
137.05952	100.0
138.06322	2.4
140.04677	0.7
141.06978	1.6
143.04909	1.4
143.29453	0.5
145.06447	1.8
145.10078	1.3
146.03554	0.5
147.04405	1.7
147.08029	8.8
149.05948	0.8
151.07526	1.2
157.06488	1.2
158.07256	0.6
159.08054	1.1
160.05164	4.6
161.05925	2.7
162.06664	0.6
163.07515	13.7
163.11176	5.0
163.13242	3.0
164.13658	2.3
167.07054	1.3
168.07448	0.6
169.06454	2.2
173.09570	0.7
175.07512	79.4
176.07889	2.9
177.05478	0.9
181.04941	5.0
181.08522	0.8
181.12221	1.1
186.06779	2.4
187.07506	3.1
188.08371	0.7
189.08995	1.3
190.04871	0.7
201.05415	1.0
201.09061	2.6
205.06554	0.9
205.10106	0.9
207.06464	1.2
219.10158	0.8
233.09543	0.7
235.07539	0.8
239.06815	0.5
250.06216	0.9
261.09146	0.7
265.08582	1.4
281.07938	1.2
283.10095	0.8
293.08289	0.7
293.11584	1.6
297.11081	1.4
298.28473	0.8
299.12851	0.6
307.09265	1.0
310.11880	0.5
311.09366	0.6
311.12698	1.7
325.07788	0.8
325.11200	0.8
325.14343	6.4
326.10809	0.6
343.04062	0.6
343.11957	5.3
343.15509	1.7
343.22534	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1532
Annotation	Jamesoniellide D
Peak:m/z	Relative Intensity
53.03922	1.8
55.01844	4.4
55.05492	2.9
57.03422	1.8
57.26366	1.3
64.76665	1.2
67.05495	6.3
69.03418	6.2
69.07047	3.1
70.06564	8.7
71.04961	1.5
71.26951	3.0
72.08138	6.8
79.05476	10.4
81.03387	5.7
81.07053	9.7
83.04939	2.4
83.08604	1.5
84.04476	1.4
84.08104	4.1
85.02893	9.1
85.06535	1.5
86.09700	7.2
88.02184	1.8
88.03979	1.8
91.05457	16.9
93.07045	8.5
94.04152	1.5
95.04952	9.3
95.08576	3.4
97.02872	2.3
97.06493	2.4
99.04415	1.9
100.07592	5.8
100.11211	1.8
102.04669	3.0
102.09166	1.6
103.04804	1.4
103.05448	20.8
105.03377	2.2
105.07008	17.8
106.04133	4.1
107.04210	1.7
107.04932	31.2
107.08549	6.1
108.05300	1.7
109.02840	1.8
109.06517	6.1
109.10112	3.7
111.51996	1.3
115.05424	12.3
116.07030	1.5
117.03387	1.5
117.07002	7.0
119.04910	5.8
119.08519	4.6
120.08080	2.8
121.06468	5.8
121.10111	5.2
122.03626	4.8
122.07245	4.8
123.04392	2.7
123.08068	2.4
124.07561	5.2
125.05951	4.1
127.03858	2.6
129.06952	2.1
130.04143	8.7
131.04897	19.1
131.08536	1.7
133.06450	10.4
133.10080	3.5
135.04378	1.9
135.08038	9.5
135.11667	1.6
136.05099	1.4
137.05952	94.9
137.09529	3.8
138.06317	2.9
138.09087	1.8
141.06953	3.5
145.06419	3.2
145.10057	4.2
146.03592	9.1
147.04372	14.2
147.07991	5.7
148.08763	1.7
149.05943	10.9
149.09584	1.7
151.03874	3.1
151.07536	13.6
151.11140	2.7
153.05418	2.7
153.09048	1.7
157.06514	3.3
158.07233	2.0
159.07947	1.9
160.05095	3.4
161.05949	61.8
162.05464	2.0
162.06740	28.7
163.07510	55.1
163.11130	18.4
164.07945	1.6
165.06984	3.3
165.09045	1.8
167.06981	6.6
168.07318	4.9
169.06383	3.5
172.05156	1.8
172.08887	1.4
172.13269	6.8
173.05968	1.9
173.09550	4.1
174.06770	3.7
175.07509	57.0
176.07872	2.4
177.05406	5.2
177.06851	2.2
177.07469	1.6
177.09018	11.2
179.07014	2.4
179.08511	3.7
179.10686	1.7
181.04982	16.0
181.06429	2.1
181.08527	10.4
181.12157	5.7
189.09109	2.8
190.07736	3.2
191.08508	1.7
193.08621	4.1
193.12302	1.7
194.07230	6.0
195.07979	2.8
201.05447	1.9
201.09076	4.2
202.07559	1.7
203.08549	2.3
205.06389	4.8
205.10138	6.5
205.11975	1.4
207.07983	7.2
209.09592	2.8
210.08382	1.8
215.08607	2.6
218.07211	4.8
219.08083	2.8
219.10042	22.2
221.05966	4.1
221.09532	3.6
222.06699	6.2
223.07396	4.7
224.08284	3.7
225.08890	1.9
226.06329	2.0
231.08301	1.4
233.05881	6.0
233.09615	12.4
234.06650	3.2
234.10202	1.8
235.07491	9.7
236.08296	3.3
237.05400	4.0
237.09013	14.3
238.09692	1.6
239.07016	4.2
239.10635	4.6
240.07736	1.6
241.08582	4.9
247.07567	1.7
249.09091	4.7
250.06213	4.0
250.09872	7.5
251.06877	3.9
252.07724	3.3
253.08571	3.7
254.09306	4.1
255.10416	1.6
260.08472	1.5
261.09036	9.1
262.09711	2.4
263.06793	2.5
264.07785	4.0
265.08530	23.4
265.12167	7.8
266.09366	2.1
267.06592	1.7
267.10065	8.4
268.10803	1.5
269.08041	8.8
269.11008	1.4
277.08575	2.1
278.09235	3.9
279.10056	3.2
281.08087	2.7
281.11469	1.3
282.08838	6.5
283.09692	4.8
283.13123	1.8
284.10422	10.4
293.08356	2.3
293.11636	20.5
294.12262	3.1
295.09476	3.8
296.10294	5.4
297.11215	45.9
297.14664	4.6
298.11368	3.6
299.12717	45.0
299.15585	1.0
300.12964	4.6
307.09595	1.6
310.11868	6.5
311.12720	100.0
312.13062	10.1
313.14047	3.1
325.11176	1.8
325.14279	26.8
326.10474	1.6
326.14478	2.0
326.18652	1.3
328.30460	1.5
343.04550	1.7
343.11734	8.5
343.15323	64.3
343.22382	3.3
343.29663	5.6
344.15863	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	343.153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	2.1
55.01848	3.4
55.05256	1.7
55.05498	14.9
57.03422	2.0
57.07030	1.7
67.05486	5.9
69.03419	6.2
69.07059	6.9
70.06566	5.0
70.12973	4.3
70.13383	1.9
71.04958	2.7
72.08158	2.1
75.39408	1.1
79.05466	5.9
81.03392	3.8
81.07040	16.7
82.06605	1.3
83.04951	2.5
83.08595	9.4
84.08124	2.2
85.02895	7.1
85.06535	2.2
86.09698	10.2
91.05453	8.9
93.07036	6.3
95.04939	6.6
95.08591	8.5
97.02891	3.1
97.06503	3.2
97.10146	1.3
98.09665	1.4
98.20696	1.1
99.04405	2.0
99.08057	4.4
100.11236	97.9
103.05457	10.2
105.07012	18.4
107.04926	8.2
107.08564	7.3
109.02828	1.8
109.06506	6.8
109.10136	3.9
111.04466	1.2
111.08040	1.5
115.05424	6.7
116.01651	2.3
117.03362	1.6
117.07014	1.3
117.13895	1.6
119.04921	3.3
119.08550	6.6
121.06493	4.7
121.10137	5.0
123.04404	4.1
123.08043	1.4
123.11682	3.3
125.05991	2.8
127.03886	3.2
127.08594	1.8
128.06171	1.6
129.06964	4.2
131.04907	16.5
131.08560	1.6
133.02870	1.8
133.06485	9.5
133.10114	3.2
135.04411	2.3
135.08018	3.3
135.11665	3.6
137.05943	32.2
138.06258	1.8
139.08615	2.3
139.11162	1.6
140.04648	2.2
141.06972	3.9
142.03203	5.4
143.04973	1.5
143.08466	1.4
145.04955	2.2
145.06473	2.7
145.10118	4.4
146.03568	8.6
147.04385	5.1
147.08051	1.9
147.11684	2.1
149.05986	4.4
149.09608	1.9
149.13232	2.1
151.03928	1.5
151.07491	6.8
153.05409	2.4
157.06424	1.7
157.14175	1.6
159.08157	1.5
160.05121	2.6
161.05949	100.0
161.09563	2.3
162.02211	4.0
162.06491	4.7
163.03836	2.0
163.07509	39.2
163.11143	16.2
164.11606	1.5
165.05597	2.1
165.06935	3.1
165.09161	1.9
166.06155	1.3
166.07610	1.6
167.07010	5.1
167.08484	1.3
169.06485	4.4
170.02686	3.0
173.09540	1.7
174.06682	2.6
175.07513	48.7
176.07861	1.5
177.05444	1.9
177.06903	1.7
177.09087	1.6
178.07773	1.7
179.08553	4.9
181.04924	16.7
181.06485	3.5
181.08566	6.7
181.09956	1.6
181.12213	4.1
183.05521	1.4
187.07410	1.6
189.07217	2.1
189.09103	8.6
190.07748	5.3
191.03403	11.3
191.08469	2.2
194.07237	7.8
195.07967	3.2
198.09280	1.4
201.09074	2.9
203.08495	2.3
204.09357	2.9
205.06438	6.7
205.10081	8.1
206.07147	2.1
207.08012	8.0
208.08672	1.5
209.09607	5.4
209.16423	15.8
211.07588	2.4
215.08525	3.1
218.07237	4.4
219.08070	3.2
219.10091	3.1
220.08498	1.8
221.06113	6.1
221.09590	2.1
221.15303	1.7
222.06728	10.4
222.10309	2.6
223.07413	3.4
223.11182	1.6
224.08252	5.5
225.09109	2.4
227.17511	6.3
229.06007	3.1
231.08038	1.7
232.08806	3.5
233.05919	3.4
233.09596	18.1
234.06766	4.2
234.10141	2.4
235.07510	10.0
236.08264	5.1
237.05450	3.5
237.09036	16.2
238.09621	1.6
239.06976	3.0
239.10648	4.2
241.08691	3.1
247.07594	3.3
249.05367	2.2
249.09087	3.6
250.06313	8.5
250.09816	7.1
251.06923	5.3
251.10454	1.6
252.07765	5.7
253.08505	4.4
254.09238	2.2
257.05496	2.6
260.08221	1.7
261.09113	14.1
262.09805	4.0
263.06982	5.7
263.09918	1.4
264.07712	6.8
265.08578	42.3
265.12189	9.2
266.09158	3.5
267.06790	2.0
267.10095	12.1
269.08032	5.2
277.08704	2.0
278.09369	10.2
279.10062	3.6
281.08109	2.6
282.08765	4.7
283.09641	4.2
283.13251	4.7
284.10492	7.5
293.08298	2.2
293.11646	28.6
294.12125	2.7
295.09595	4.9
296.10422	1.8
297.11188	28.0
297.14719	2.6
299.12741	17.7
310.11899	4.8
311.12714	71.9
312.13162	5.7
325.10568	2.1
325.14163	13.5
326.14819	1.9
343.04541	2.3
343.08234	3.6
343.11707	6.0
343.15323	66.2
343.30646	99.5
344.15698	5.1
361.02206	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	342.3359
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.3
56.68011	0.3
57.07066	18.0
58.06596	0.6
60.08139	1.2
62.06081	2.2
67.05502	2.3
69.07056	3.0
69.58232	0.9
69.58647	1.3
71.08617	10.7
71.45544	0.3
72.08141	1.4
73.02879	1.8
77.67825	0.4
79.05448	0.3
80.90048	0.3
81.07050	2.9
82.85892	0.3
83.08598	2.5
85.06516	0.3
85.10161	4.1
86.09695	0.4
93.07029	0.4
95.08588	3.7
97.06480	0.4
97.10173	1.5
97.10716	0.3
98.20756	0.6
109.10120	1.3
111.72500	0.3
123.11659	0.5
135.11661	0.4
136.74786	0.3
147.00322	0.3
148.47073	0.3
156.17438	0.9
174.18513	3.1
186.46608	0.3
212.23691	1.0
230.24733	2.9
240.23242	0.3
283.26257	100.0
284.26614	3.0
324.36371	0.6
342.33539	53.1
342.37274	77.6
343.34119	2.2
343.37216	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	342.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32933	0.5
51.88466	0.6
53.35034	0.7
55.01855	1.4
55.05503	1.1
56.05022	1.1
56.65709	0.6
57.03434	3.3
58.06586	1.1
58.92064	0.6
59.04980	0.7
59.17354	0.6
61.02927	1.3
63.14738	0.6
67.05510	1.4
68.05012	2.3
69.03427	2.9
69.07047	4.2
70.04419	2.0
70.04834	1.5
70.06579	67.2
71.04977	1.8
71.06904	2.1
71.08608	2.0
72.04507	2.8
72.08141	85.4
72.26077	0.7
73.02938	0.8
73.08476	1.8
79.05474	2.6
81.03417	2.0
81.07038	6.7
83.04959	1.0
83.06091	1.5
84.04493	1.4
84.08131	6.4
85.02884	7.5
85.06549	1.1
86.09689	20.6
87.04460	1.1
87.05560	1.3
90.05531	1.9
91.05457	1.6
95.04979	1.2
95.08575	1.5
95.23771	0.6
96.04503	1.6
96.08133	0.7
97.02879	2.4
98.06024	0.8
98.09693	2.0
99.04430	1.8
99.08070	6.4
100.07594	75.6
101.07931	2.4
103.03913	1.6
105.07010	1.8
107.04942	1.5
109.02880	1.7
109.06490	8.4
110.07156	1.9
110.09637	1.6
112.07574	0.7
112.08711	3.4
112.11226	1.0
114.09148	1.1
116.07088	1.3
117.06995	1.2
117.09107	41.2
118.06491	0.6
119.04924	1.1
120.08095	1.9
121.06488	0.8
121.10149	1.0
123.04394	1.7
124.03928	3.3
125.06031	1.0
127.03931	1.9
127.07532	15.5
129.10260	0.9
130.06509	1.4
130.08647	0.7
133.02831	1.4
135.04396	1.7
136.07573	0.8
137.05940	4.6
138.06325	1.5
140.08176	1.0
144.08145	0.9
145.02821	1.2
145.04955	1.7
145.08556	1.1
146.05945	0.9
147.04404	2.4
148.04707	0.9
153.05400	0.9
153.09140	0.6
155.11769	1.2
157.13347	2.7
162.09070	0.7
163.03891	3.1
163.06061	1.2
163.07565	1.0
163.09647	14.3
163.11137	3.1
165.05522	1.1
165.09099	0.8
167.06976	0.7
168.17444	1.7
171.14888	13.8
177.24503	0.8
179.03323	3.3
180.03777	1.4
181.04979	0.8
181.12201	0.9
183.14888	3.9
184.12570	0.6
186.18550	1.1
188.07042	1.2
199.14413	0.8
200.13966	1.5
207.07655	3.0
208.07991	5.4
208.20631	1.0
211.14366	1.4
212.20100	2.3
226.12924	1.3
226.18181	1.0
226.21608	18.7
228.13293	0.7
231.24286	1.5
240.19048	0.6
241.14796	1.8
241.64513	0.7
253.16547	2.5
253.22734	2.0
254.12282	0.7
254.21114	1.5
256.22769	1.1
270.19174	1.0
271.23718	4.9
272.23975	0.7
273.25299	1.0
275.18103	0.7
279.05075	0.7
280.10757	0.9
283.69183	7.8
284.19495	2.5
297.68961	2.1
298.18893	1.3
315.14404	3.0
324.12918	2.6
324.30084	1.1
325.12891	0.7
325.28500	1.1
342.07919	0.8
342.14331	3.4
342.21790	5.3
342.31076	100.0
342.71323	3.0
343.14294	1.6
343.22275	2.1
343.31363	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	342.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75506	7.0
55.05502	36.8
57.07057	16.2
59.89722	6.8
67.05172	7.7
67.05495	82.0
67.29958	6.6
69.03404	8.0
69.07058	41.4
70.77347	7.7
71.04977	13.0
71.08624	7.5
71.53839	8.4
72.08141	29.3
78.24935	8.5
78.86030	6.5
79.05478	43.5
81.03399	9.5
81.07043	100.0
83.04945	10.3
83.08598	16.5
84.08112	8.4
85.06529	14.9
91.05457	42.1
93.07032	62.5
95.04954	23.9
95.08602	52.1
97.06499	13.6
100.07591	18.2
105.07034	44.1
107.08578	44.9
109.06463	10.4
109.10146	20.8
111.08057	10.5
117.06982	18.8
119.08566	33.3
121.06510	9.4
121.10091	30.5
123.08057	9.1
124.39622	7.5
125.09561	9.1
129.06972	9.6
131.08562	19.7
133.10129	37.4
135.08076	10.4
135.11688	67.6
137.09560	10.4
145.10091	25.6
147.11649	25.9
149.09607	9.5
149.13234	21.6
151.07567	8.7
159.11652	20.4
163.11125	9.1
169.10115	7.8
177.12857	10.1
181.12227	34.4
195.13788	20.3
213.14780	23.0
230.24686	15.4
275.19998	41.4
289.21432	8.0
315.05045	7.7
342.30746	21.4
342.37244	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	3.8
55.05517	15.5
57.03412	3.1
57.07072	2.4
65.03938	3.2
65.73549	2.1
67.05500	30.0
69.07064	16.9
69.43401	14.6
69.43819	3.9
71.04974	3.5
72.08132	9.0
79.05489	17.4
81.03414	4.3
81.07046	77.7
81.07525	5.0
83.04958	6.1
83.08607	13.9
85.06533	3.7
91.05460	23.5
93.07025	21.7
95.04954	12.9
95.08608	27.4
97.06507	9.1
97.10191	2.5
98.20760	4.5
99.08094	4.2
100.07593	5.9
105.03356	2.9
105.07021	23.9
107.04942	9.3
107.08588	17.8
109.06509	33.5
109.10132	10.4
111.08042	6.7
117.06992	7.8
119.08569	19.7
120.11190	2.3
121.06512	2.2
121.10169	11.1
123.08046	6.9
123.11706	5.4
125.09605	2.9
131.08542	6.7
133.10118	13.7
135.08011	4.1
135.11681	7.5
137.09624	3.9
145.10086	9.8
147.11674	14.3
149.09601	5.9
149.13240	4.2
151.11148	3.1
153.06537	2.7
157.10136	3.8
158.40413	2.2
159.11687	10.5
161.13199	4.0
163.07628	2.3
163.11163	6.8
165.12762	5.6
173.13277	3.5
177.12688	4.9
187.14854	2.8
188.03421	2.6
193.12015	2.6
207.13818	2.5
219.13806	2.3
235.43747	2.4
239.17891	4.7
247.20634	3.6
257.18967	9.5
275.20038	100.0
276.20276	4.0
293.21017	8.7
307.22650	55.1
307.25934	5.2
332.55099	2.4
342.09729	12.5
342.24973	2.5
342.30341	6.5
342.33963	4.0
343.22723	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	342.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.2
55.01868	0.8
55.05496	1.6
56.05036	1.1
57.03422	4.4
58.06580	0.6
59.04999	1.1
61.02915	1.5
67.05506	0.8
68.05018	1.8
69.03416	3.4
69.07069	3.5
69.61885	4.8
70.06578	67.5
71.04977	2.8
71.06921	1.5
71.08620	4.5
72.04502	3.3
72.08141	68.5
73.02882	0.9
73.08494	0.9
79.05467	2.1
81.03402	2.2
81.07039	12.9
83.04968	0.7
83.06036	0.7
84.04470	1.0
84.08139	4.1
85.02888	12.7
85.06524	2.2
86.09689	22.9
87.04447	1.3
87.05590	1.0
87.09995	1.0
90.05531	2.5
91.03981	0.7
91.05453	0.8
93.06978	0.7
95.04949	0.8
95.08586	0.8
96.04475	2.1
97.02873	3.1
97.07627	1.0
98.06032	0.9
98.09692	1.4
98.21491	0.7
99.04433	1.6
99.08075	19.9
100.07600	61.3
101.07961	1.1
103.03933	1.5
107.04945	0.9
107.08604	0.8
109.02872	1.7
109.06500	17.1
110.06004	0.8
110.09646	1.0
112.08708	4.0
114.09106	0.8
115.08707	1.0
116.07027	0.8
117.09109	100.0
118.09441	1.6
119.08553	0.8
123.04384	0.7
124.03927	5.0
125.05949	0.6
127.03896	2.9
127.07526	39.7
128.07874	1.2
128.81978	0.6
130.06509	0.7
137.05930	2.9
138.06358	1.2
140.08197	0.8
143.11766	0.8
145.02859	0.7
145.04916	3.0
145.08578	1.9
147.04410	1.6
157.13324	1.9
163.03896	0.7
163.05948	1.1
163.09624	36.8
164.31973	0.7
165.05450	1.5
166.08476	0.9
167.09380	0.7
168.17421	1.4
169.13397	0.9
171.14890	10.8
173.04388	1.0
177.05415	0.9
179.03275	1.8
183.14877	5.2
186.18546	0.8
199.14297	0.8
200.13916	1.1
204.06604	0.9
208.08000	1.4
209.10214	1.6
212.20125	1.1
221.11572	0.9
226.12987	1.2
226.21602	17.0
231.24228	0.9
241.14729	2.1
253.16566	2.7
253.22710	1.5
254.21059	1.1
256.22754	0.8
270.19171	0.9
271.23782	5.9
273.25363	1.6
283.69159	11.1
284.19333	2.8
297.69006	1.2
315.14499	1.2
325.28308	1.3
326.11407	0.7
342.07886	1.5
342.21893	5.3
342.31073	81.8
342.71533	1.3
343.14273	0.8
356.24030	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.3
55.05491	1.8
56.05022	2.3
57.03412	5.0
59.04980	1.6
61.02909	1.9
67.05490	1.8
68.05003	2.9
69.03402	3.7
69.07032	2.9
70.03096	4.6
70.06579	27.1
71.04966	3.4
71.08620	4.9
72.08136	14.8
73.02890	1.7
73.06532	2.1
73.08455	1.5
79.05464	3.7
81.03380	2.5
81.07044	13.0
82.96140	0.9
83.01294	1.0
83.04972	0.9
83.06075	3.7
84.04448	1.0
84.08127	4.9
85.02885	14.3
85.06506	1.3
86.09689	11.8
87.04426	1.6
88.75551	1.0
90.05543	1.6
91.03948	0.8
91.05454	2.2
93.07053	0.9
95.05003	1.0
95.08585	1.2
96.04471	2.6
96.08092	0.9
97.02878	4.4
97.07597	1.4
98.06031	0.8
99.04410	1.2
99.05547	3.6
99.08069	19.7
100.07589	10.1
102.05518	1.3
103.03889	2.1
105.03402	0.8
105.06953	1.5
107.04920	2.1
109.02839	1.0
109.06490	14.5
111.00786	1.1
111.05553	12.1
112.08740	1.4
116.07021	1.4
117.09103	100.0
118.09441	2.4
119.04898	2.0
119.08574	1.2
122.02680	1.7
122.09615	3.2
123.04427	1.9
123.08080	0.9
124.03926	2.2
125.07063	5.9
126.05477	2.8
127.03889	3.5
127.04982	1.5
127.07525	42.4
130.06496	2.8
133.02786	2.4
133.06528	1.2
136.07445	1.1
137.05975	3.7
138.06314	1.2
139.04991	24.0
139.12300	1.3
144.07918	1.2
145.04916	2.9
145.08554	1.3
146.05952	1.0
147.04404	4.2
150.09079	3.5
153.06528	1.7
156.07947	1.0
159.09167	1.4
163.03838	1.2
163.06123	1.0
163.09630	33.6
163.10974	1.3
165.05367	1.2
167.11775	8.8
168.08041	0.9
171.14940	1.8
179.03362	3.4
181.04913	1.6
181.07652	0.9
183.14911	1.5
188.07031	1.2
189.05533	1.0
195.11244	48.5
196.11581	1.6
199.14435	0.9
200.13956	1.3
223.10722	5.3
223.12613	0.9
226.21567	2.2
256.08160	1.1
271.23752	1.0
278.14844	0.9
283.69315	4.4
296.16019	1.9
307.04483	2.3
315.14471	5.3
324.15506	16.0
325.21033	1.6
326.11337	2.0
342.07434	1.1
342.21024	1.9
342.30884	11.4
343.13599	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	342.1402
Annotation	3-Trehalosamine
Peak:m/z	Relative Intensity
58.85701	0.2
59.63161	0.2
62.30687	0.2
67.94505	0.2
69.03417	0.7
70.01405	0.7
70.06575	0.3
71.04997	0.2
71.06116	0.4
72.08141	0.5
81.03392	0.5
84.08125	0.4
85.02888	1.9
87.00807	0.6
90.78720	0.2
90.90206	0.2
91.74566	0.2
97.02859	0.4
98.21423	0.2
100.07610	0.2
105.01870	0.9
105.85223	0.2
106.02883	0.3
109.02845	0.3
110.03506	3.5
110.07117	0.3
117.09103	0.6
119.04910	0.5
122.05994	0.2
123.04398	0.3
124.03930	1.0
127.03890	0.8
128.04567	0.4
134.73331	0.2
134.83836	0.2
135.03000	0.8
137.08202	1.8
145.04921	0.4
147.04388	1.8
153.04041	1.5
162.07722	0.4
165.06439	0.5
180.08769	100.0
181.09128	1.1
204.37796	0.2
231.04866	0.2
289.09174	0.2
342.14087	0.7
342.23669	0.2
360.60535	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.5
56.05016	0.3
56.96541	0.3
57.03429	0.6
59.04982	0.2
61.02901	0.7
66.28245	0.2
69.03413	3.1
70.06577	1.5
70.24883	0.9
71.01334	0.2
71.04974	0.5
71.06113	0.5
72.08128	0.8
73.02900	0.5
81.03406	2.0
83.01313	0.3
84.04483	0.4
84.08112	0.9
85.02889	7.9
85.06490	0.2
86.06039	0.3
86.09712	0.3
86.25420	0.2
87.00300	0.3
87.00816	3.6
87.04461	0.6
88.02182	0.3
90.05512	0.2
91.05434	0.5
95.04946	0.3
97.02878	2.7
98.20855	0.3
98.97533	0.3
99.04428	1.4
100.07587	0.3
103.03905	0.3
105.01172	0.5
105.01842	5.9
106.02898	0.8
107.04971	0.3
109.02874	2.0
110.03519	3.6
110.07136	0.8
116.98615	0.2
117.09117	1.9
119.04917	0.7
122.07141	0.2
123.04398	0.7
124.03921	2.6
127.03888	6.5
128.04527	0.6
129.01816	0.5
130.08606	0.3
134.02696	0.3
135.02980	0.5
136.07501	0.3
137.05957	0.4
137.08183	1.6
139.03860	0.3
145.04942	2.4
147.03125	0.4
147.04379	3.4
148.04755	0.4
153.04073	1.4
156.07642	0.3
159.02963	0.6
162.07719	0.9
163.03732	0.4
163.09715	0.4
165.06419	0.4
167.06992	0.7
174.04469	0.5
177.05522	0.4
179.03433	0.4
180.08768	100.0
181.09145	1.6
185.08043	0.5
186.04353	0.5
204.05394	0.7
211.08855	0.3
214.98628	0.3
231.04915	2.8
237.02644	0.3
238.07141	0.3
249.05989	0.7
264.95926	0.3
289.09058	1.4
307.10165	0.4
342.08008	0.5
342.14368	0.4
342.23862	0.4
361.02393	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.3197
Annotation	stellata-2,6,19-triene
Peak:m/z	Relative Intensity
53.49623	2.2
55.05501	13.9
57.03420	3.9
57.06874	1.8
57.07074	21.9
67.05498	26.0
67.53911	2.1
69.07059	40.3
71.04987	2.7
71.08629	13.8
71.53168	4.6
72.18763	2.5
79.05466	11.7
81.07043	100.0
81.07525	5.4
83.08593	17.6
84.08130	2.4
85.10173	9.2
87.04420	3.4
91.05473	7.1
93.07024	33.0
95.08593	83.8
95.94188	2.4
97.10170	9.4
104.64335	2.2
105.07016	25.1
107.08579	36.2
109.10136	48.5
111.11687	4.9
117.07059	2.2
119.08571	24.5
121.10122	35.0
123.11692	26.6
131.08548	2.7
133.10100	19.1
135.11662	25.1
137.13252	14.5
145.10069	6.8
147.11676	18.7
149.13217	20.8
151.14902	2.3
159.11703	10.1
161.13202	15.4
163.14787	14.7
173.13260	7.7
175.14796	9.1
175.54936	2.4
177.16365	8.2
187.14766	5.1
189.16371	12.9
191.17947	10.4
201.16388	2.6
203.17969	17.8
205.19534	3.6
215.17863	6.4
217.19443	15.5
229.19527	3.3
231.20984	5.9
245.22542	3.1
257.22592	3.5
271.24341	4.4
285.25867	2.9
323.27417	3.6
335.90140	2.6
341.21024	2.4
341.26913	5.1
341.32114	61.3
341.36456	3.3
341.39328	4.2
342.32336	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	342.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.3
55.01846	0.7
55.05510	0.5
58.06569	0.4
59.04969	0.4
67.05474	0.9
68.05010	0.3
69.03412	0.6
69.07035	0.6
70.02925	0.8
70.06575	12.4
70.69639	0.4
71.04970	0.3
72.07801	0.3
72.08141	3.4
73.02877	0.5
74.02431	1.4
78.04681	0.7
79.00488	0.2
79.05468	1.1
81.03394	0.3
81.07023	0.9
82.06555	0.3
83.08614	0.2
84.08112	1.0
85.02869	0.7
85.06477	0.2
86.09697	4.0
86.10204	0.2
87.04442	0.8
88.03969	3.2
89.05984	1.0
89.32202	0.2
91.05442	1.4
93.06998	1.0
95.04955	0.8
96.04485	0.3
97.06532	0.3
99.72199	0.2
100.07582	2.5
101.00574	1.0
103.05430	0.7
105.07011	0.9
106.04147	0.3
106.07252	0.2
107.04929	3.3
107.08556	1.1
109.02830	0.3
109.10130	0.5
110.05992	0.4
114.50903	0.2
116.03428	1.0
116.07064	1.0
117.06985	0.4
119.04906	0.3
119.08540	0.8
120.08096	0.3
120.14932	0.3
121.06461	1.6
121.10130	0.4
122.03608	0.5
123.04413	1.8
124.05171	1.0
125.09567	0.4
129.10226	0.3
131.04868	0.5
131.08473	0.3
133.08574	0.6
134.03517	0.5
134.04465	5.2
135.04428	0.4
135.08006	0.5
137.05942	4.7
137.09593	0.3
138.06279	0.6
145.04912	0.3
145.06436	0.3
145.10106	0.3
146.08086	0.3
147.01089	0.4
147.04366	0.5
147.08026	0.4
148.05115	1.0
149.05940	0.5
149.09540	0.5
151.03853	0.5
152.04655	0.8
153.09111	0.3
163.07498	0.6
163.11156	0.5
167.06998	100.0
168.07368	2.9
171.14865	0.3
175.07506	2.2
175.11147	0.3
176.04639	0.7
177.05440	7.2
181.04999	1.1
181.08540	1.4
182.19000	0.3
183.14877	3.0
194.05701	1.1
197.11652	0.9
204.10190	0.3
207.13757	0.3
209.08040	31.1
210.08449	1.2
211.14366	2.1
229.15443	3.7
236.19891	0.3
239.14882	0.5
245.18568	0.4
254.21013	0.3
278.09998	0.9
284.10342	0.4
290.60162	0.3
292.10507	0.3
296.11331	0.7
297.19135	0.5
298.28336	1.5
324.27045	0.3
342.11520	0.7
342.23807	2.1
342.27426	0.7
342.30963	1.3
343.04330	0.4
343.11908	0.8
361.49750	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	16.8
57.03444	1.7
57.07066	5.6
59.04984	3.1
61.35365	1.4
63.29814	1.4
67.05491	20.1
69.07059	19.5
70.06500	1.6
71.03228	4.9
71.04980	25.4
71.08609	2.4
75.01526	1.3
77.03900	1.6
77.12871	1.5
79.05479	17.7
81.07040	100.0
83.04960	1.4
83.08590	12.7
85.06526	6.8
91.05454	20.4
93.07027	86.6
95.04949	4.8
95.08589	78.3
97.10146	8.3
97.17709	1.5
105.07011	47.4
105.07687	2.8
107.08569	62.9
109.06498	18.0
109.10139	39.6
111.08062	18.7
111.11728	4.1
113.09631	5.6
117.07020	8.8
119.08556	99.7
120.08863	2.0
121.10121	59.0
123.08089	2.7
123.11678	21.2
125.09605	2.2
128.06169	1.5
129.07011	2.6
131.08536	17.5
133.10109	28.7
135.11662	35.3
137.09605	9.4
137.13193	8.4
142.07808	2.5
143.08565	6.3
144.09329	2.3
145.10097	23.8
147.11662	25.1
149.09583	4.1
149.13228	46.2
151.11139	5.7
151.14722	3.5
155.08504	1.6
156.09349	3.0
157.10097	12.3
159.11662	43.2
160.12196	1.5
161.13228	28.5
163.14793	37.4
165.12737	2.2
165.16460	1.7
167.23445	1.5
169.10110	2.3
171.11662	11.8
173.13231	31.9
175.14821	12.4
177.12749	6.6
177.16411	4.9
179.14365	4.2
183.11684	2.2
185.13245	8.7
187.14795	27.0
189.16364	17.6
191.17897	38.8
192.18227	2.3
194.33862	1.6
197.13148	3.6
199.14795	8.0
201.16382	11.6
203.14603	1.4
203.17970	6.0
205.16028	2.2
211.14787	5.1
213.16385	15.4
215.17944	13.5
217.15974	2.2
217.19438	3.6
225.16350	5.1
227.17917	14.5
229.19411	8.5
231.17380	3.4
231.21057	3.0
239.17862	3.7
241.19574	6.1
243.21071	5.1
245.18834	2.0
253.19496	4.5
255.21002	3.3
257.22556	15.2
267.21024	10.4
271.24118	3.7
281.22549	4.0
283.24127	54.8
283.27139	2.7
284.24515	3.0
295.24280	2.8
297.25760	4.9
323.27243	58.1
323.31128	2.8
324.27652	3.4
341.28375	92.6
342.28772	7.1
342.37140	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	341.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	7.0
55.05497	19.9
57.03419	5.8
57.07056	10.4
57.61285	2.4
58.99572	2.1
59.04982	4.7
67.05493	32.1
69.03404	12.9
69.06718	3.3
69.07057	43.8
70.06568	11.2
71.04986	15.2
71.08604	2.1
71.55448	2.7
72.08145	27.8
72.48154	2.4
73.02902	3.1
73.08475	3.4
79.05476	23.9
81.03388	5.9
81.06568	5.3
81.07040	100.0
82.07398	2.9
83.04964	10.4
83.08590	10.8
84.08124	8.2
85.02883	5.1
85.06525	22.4
86.09692	6.8
88.02235	3.0
91.05443	21.2
93.07028	50.5
95.04952	20.7
95.08587	58.0
97.02872	4.7
97.06519	21.8
97.10136	3.8
99.04444	8.7
99.08070	8.6
100.07599	15.6
100.11231	5.8
101.02335	3.3
101.05974	4.4
101.07941	5.0
103.05408	3.5
105.03373	8.2
105.07021	37.6
107.04937	7.6
107.08578	39.6
109.02884	3.8
109.06497	18.4
109.10136	37.6
110.06033	5.7
111.08080	26.8
111.11699	8.1
115.03848	2.4
115.05412	3.0
117.06959	4.1
119.08558	27.4
119.86765	2.3
121.06483	4.5
121.10123	34.8
122.03629	3.6
122.06017	3.0
123.08050	7.6
123.11691	39.7
125.05936	3.1
125.09621	14.6
127.11149	8.0
129.06985	3.0
129.10168	3.1
130.06546	3.4
131.04857	5.5
131.08554	9.9
133.02820	3.3
133.06477	5.7
133.10110	17.5
135.04375	2.8
135.08038	8.8
135.11665	20.4
136.07562	3.9
137.02296	3.3
137.05952	48.6
137.09604	9.2
137.13191	13.4
139.11174	28.5
140.07048	4.8
140.60429	3.1
141.12631	2.4
142.12199	3.6
143.08513	3.4
145.10117	14.3
146.16524	2.6
147.08032	4.0
147.11687	16.6
149.05907	2.8
149.09595	10.3
149.13213	13.0
151.07492	3.4
151.11148	8.8
153.12692	4.8
154.12253	3.4
155.10655	3.2
157.04926	3.7
157.10147	3.7
157.13306	3.2
159.07898	3.7
159.11678	9.1
161.05949	5.9
161.09523	2.9
161.13254	9.8
163.03839	5.1
163.07506	3.3
163.11201	9.5
164.84056	2.6
165.12723	8.9
167.07007	26.2
167.10631	7.3
167.14279	4.3
169.12190	3.6
171.11824	2.7
173.13179	5.5
175.07509	5.2
175.11087	2.9
175.14787	5.8
177.05435	3.3
177.16379	5.0
179.06941	7.0
179.10623	2.9
181.12224	6.0
184.16916	6.5
185.13214	2.3
187.07533	5.5
187.14847	3.2
189.09169	3.2
189.16360	4.7
191.10669	5.0
191.14284	2.8
201.16409	6.7
203.08595	3.3
203.17691	3.0
209.08067	4.9
219.17357	3.6
221.15311	3.3
231.17564	2.7
237.18466	5.5
248.08270	3.6
263.10739	2.8
265.08487	3.5
275.23630	4.1
279.10153	3.5
287.23615	7.4
291.10172	7.0
293.24707	9.2
303.13452	2.7
305.24649	28.0
309.11072	4.9
311.12979	5.0
313.06927	3.5
313.11404	2.5
323.25674	10.9
324.21768	3.5
341.06479	27.5
341.10266	5.6
341.13821	17.3
341.30219	18.8
342.30884	3.6
360.02322	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	341.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.7
54.78297	2.3
55.01867	6.1
55.05499	19.3
56.46677	2.1
57.03418	5.9
57.07058	6.8
59.04992	3.8
61.02935	2.3
61.53049	2.1
65.21323	2.3
67.05495	30.4
69.03410	10.7
69.07062	32.2
70.06567	6.2
71.04979	16.5
71.08626	3.6
71.52084	2.3
72.08139	14.7
72.44755	2.2
79.05476	19.6
81.03402	8.8
81.07048	100.0
81.22318	2.2
82.06557	3.1
83.04980	9.5
83.08606	12.4
84.08119	8.1
85.02899	5.5
85.06509	10.9
86.09696	3.1
91.05444	21.6
93.07029	70.3
94.06548	3.1
95.04958	30.8
95.08595	76.9
97.02885	4.1
97.06509	8.4
97.10139	8.4
99.04466	3.2
99.08060	5.4
100.07590	14.0
100.11244	9.7
101.07950	3.9
101.11535	2.8
103.05447	4.2
104.10757	2.3
105.07020	25.9
107.04935	9.1
107.08580	31.8
109.02887	4.3
109.06501	17.2
109.10141	39.2
111.04421	5.8
111.08065	36.4
111.11675	3.9
112.07619	2.6
115.05380	3.5
117.06958	5.3
119.08571	21.6
121.06500	3.8
121.10120	31.4
122.03632	5.3
122.06049	2.4
123.08059	4.8
123.11686	40.3
124.07595	7.8
125.05995	2.6
125.09601	6.7
127.03900	4.0
127.07529	3.2
127.11189	6.5
128.06200	4.4
128.74005	2.7
129.07005	5.6
130.05057	2.6
131.04939	7.9
131.08540	7.0
133.06479	6.7
133.10098	14.5
135.04395	3.1
135.08026	4.6
135.11674	16.7
137.02350	14.2
137.05957	85.0
137.09592	6.7
137.13232	53.4
137.14249	3.5
138.06332	3.7
139.07445	2.5
139.11134	8.8
141.12625	2.2
142.07756	2.6
143.08585	3.6
145.02873	2.8
145.10115	9.5
147.04390	5.6
147.08025	3.6
147.11670	25.1
149.05994	2.9
149.09622	4.3
149.13223	14.6
151.07518	6.8
151.11147	4.8
153.12781	3.8
156.05679	4.5
157.10022	3.3
159.08023	7.3
159.11691	11.4
161.06001	12.1
161.09561	3.1
161.13254	8.4
163.03946	5.7
163.07506	4.0
163.11147	5.5
165.06973	3.7
165.12732	16.7
167.07001	13.3
167.10776	4.1
171.11728	4.2
173.13310	4.8
175.03877	5.0
175.07509	9.3
175.14754	3.9
177.05463	4.9
177.16432	3.5
178.07726	3.7
179.07036	9.7
179.08525	3.0
179.14279	3.6
181.04982	2.6
182.15334	4.7
183.13797	3.7
187.07492	12.9
189.09030	5.0
189.16338	4.0
191.03426	5.2
191.08505	4.5
191.17879	2.5
194.07310	4.6
195.17450	3.4
199.11104	2.9
201.14853	4.3
201.16492	3.3
202.07718	3.4
203.08559	7.4
203.17931	5.0
205.06525	3.6
206.07231	6.9
207.08008	3.4
211.07478	2.2
213.16341	3.9
213.18446	2.2
214.06259	5.7
217.08575	16.9
219.08031	6.6
219.17499	3.3
220.08690	2.8
221.09584	10.7
222.06775	10.2
222.10103	3.1
223.07523	6.8
231.07967	5.6
233.06218	2.6
233.19099	3.1
234.06734	9.4
235.07529	4.5
237.09039	4.6
237.18491	2.4
238.09683	3.3
247.07704	3.2
248.08365	5.6
249.09026	14.1
250.06253	4.7
251.07022	7.7
251.10616	5.2
252.07828	4.3
255.10118	5.0
263.10675	6.7
264.07593	2.5
265.08530	49.8
266.09222	14.3
267.06973	2.2
267.10068	3.3
269.22632	2.9
271.09845	3.2
275.23740	4.0
277.08597	8.0
278.09238	5.0
279.10178	3.0
280.10913	3.6
281.08578	3.1
281.11749	10.6
287.23624	14.6
288.00989	2.3
291.10172	9.1
291.57584	2.4
293.24707	13.6
294.08749	3.4
295.09659	5.0
305.24649	24.0
309.11169	82.1
309.14767	5.2
310.11624	11.5
311.09555	2.7
311.12872	4.2
311.25839	2.8
312.13293	2.3
313.14349	5.4
323.12766	7.6
323.25824	11.5
326.11862	2.7
341.06839	27.2
341.13840	81.5
341.17981	4.9
341.26477	3.1
341.30057	16.9
342.06769	5.7
342.14102	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	341.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	8.3
63.55024	2.4
67.05482	13.8
68.05816	2.3
69.07049	5.1
69.29318	24.8
71.04960	3.3
71.08596	2.3
72.08114	5.1
79.05454	9.4
81.07043	17.1
82.07335	4.6
83.04945	5.7
84.08140	4.0
85.06519	13.5
91.05465	9.9
93.07027	19.2
93.91030	2.3
95.04923	3.5
95.08583	29.3
97.06499	2.5
97.10137	2.7
105.07021	14.4
107.08607	12.9
108.08879	4.3
109.06478	6.3
109.10130	15.1
110.10452	4.0
111.08070	4.2
113.09628	2.9
115.05383	2.7
117.06976	4.4
119.08543	10.7
121.06523	3.5
121.10090	7.9
123.08020	12.9
123.11716	2.6
131.08548	4.1
133.10100	18.6
134.10452	8.6
135.07994	8.8
143.08513	3.4
145.10097	13.9
151.07516	100.0
151.11095	8.7
152.11478	10.4
157.10022	2.9
159.11662	4.9
161.13272	4.6
163.11116	2.6
165.09109	3.8
172.08772	3.4
173.09628	3.3
173.13229	6.1
174.06693	2.5
175.07446	5.2
176.08246	3.7
177.09082	6.1
183.11615	2.1
183.13667	2.9
184.14061	4.5
185.13185	4.2
187.07478	2.5
187.34174	2.7
188.08356	2.6
189.09102	19.0
191.10629	23.5
201.09056	9.4
203.10565	6.8
203.14232	3.2
213.09169	2.6
215.10634	7.4
217.12210	2.9
227.10605	6.8
229.12187	14.0
239.10785	2.9
241.12219	7.7
243.13719	3.8
253.12184	3.0
255.14017	2.6
256.14386	3.5
257.15274	15.7
258.76273	2.9
281.15457	2.7
283.16873	19.2
305.19028	3.3
318.61700	3.3
323.20096	8.1
341.21066	50.2
341.25107	4.5
341.29861	5.0
342.21268	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.7
55.01850	1.5
55.05503	2.3
57.07052	0.6
59.87857	0.4
66.04720	0.6
67.05488	3.1
69.03418	1.3
69.07058	4.6
69.34071	0.5
70.06578	1.1
71.04959	0.9
72.08134	3.2
73.02901	0.6
73.08456	0.6
79.05482	4.1
81.03393	1.5
81.07039	7.1
83.04953	0.9
83.08591	1.8
84.08109	1.6
85.02878	1.2
85.06505	1.2
89.06025	0.5
91.05452	5.3
93.07014	4.9
94.04161	2.1
95.04956	2.7
95.08587	4.6
97.02882	0.4
97.06501	1.0
97.10151	0.6
98.20777	1.3
98.22928	0.4
99.08078	1.0
100.07594	1.9
100.11216	1.2
103.05439	1.6
105.07009	8.6
107.04951	2.9
107.08578	3.7
109.06491	3.1
109.10123	3.7
111.04438	0.9
111.08066	1.3
115.05427	2.8
117.03397	0.5
117.07007	1.8
117.08333	0.6
119.04922	0.9
119.08549	4.3
121.06474	1.5
121.10124	3.8
122.03630	7.4
123.08018	0.5
123.11655	3.9
124.07578	0.5
125.05880	0.6
125.09622	0.9
127.03896	0.8
128.06172	1.7
129.06973	3.3
131.04910	2.7
131.08542	1.4
132.05702	2.0
133.02831	0.7
133.06477	4.4
133.10129	1.8
135.11694	1.6
137.05952	100.0
137.13245	1.2
138.06299	2.4
139.11150	1.2
144.05606	0.8
145.06474	0.8
145.10107	1.6
146.03551	0.6
147.04372	2.2
147.08025	3.4
147.11665	1.3
149.05980	1.9
149.09602	0.8
149.13152	1.3
151.03889	0.6
151.07506	1.5
151.11113	1.2
153.05458	0.6
156.05602	1.2
157.06456	0.9
159.08040	3.4
159.11641	1.2
160.05157	1.3
161.05952	11.5
161.13245	1.1
163.03867	0.8
163.07506	1.8
163.11165	0.9
165.05486	0.5
165.06984	0.9
167.07030	3.7
167.10614	0.9
171.08018	0.9
172.05171	1.5
173.13249	0.8
175.07520	23.9
176.07899	0.6
177.05412	1.0
177.09102	0.6
178.07759	0.7
179.07002	2.2
179.08496	0.7
179.10579	0.8
180.06464	0.7
181.06456	0.8
184.05133	1.0
185.06018	0.8
187.07509	10.5
188.08148	0.6
189.07054	1.1
189.09125	1.4
190.07753	3.2
191.08522	7.8
193.10037	0.6
197.09732	0.6
199.07501	6.8
202.07716	3.1
203.08524	4.7
205.06546	0.9
206.07349	0.7
207.08046	0.9
208.08731	1.3
211.07513	0.6
217.08554	2.0
218.07227	1.5
219.08000	12.1
220.08759	2.5
221.09560	0.8
224.19936	0.5
231.07979	5.4
232.08763	1.6
234.06674	0.7
235.07542	1.4
236.08301	1.9
237.09059	0.6
246.06996	0.6
247.07472	6.1
248.08307	3.6
249.09119	1.7
250.09885	0.5
251.10640	14.3
252.10941	1.3
253.08612	0.8
253.12199	0.6
259.07535	3.1
260.08423	1.2
261.09015	0.8
263.10626	2.2
264.07819	0.8
265.08566	1.7
266.09384	0.7
276.07782	1.3
277.08630	2.9
279.10114	12.7
280.10809	1.8
281.08011	1.5
281.11685	1.7
287.23566	0.6
291.10110	6.8
292.10831	3.1
293.08032	0.7
294.08997	0.5
295.09650	1.2
295.13162	0.9
296.10489	1.2
305.24814	1.6
308.10376	0.5
309.10992	2.4
310.11807	1.0
311.09164	1.2
311.12723	15.3
312.13190	0.9
323.12656	4.5
323.25793	2.4
326.11517	0.6
341.06607	4.7
341.09943	0.9
341.13635	7.6
341.24698	0.6
341.29837	2.1
342.14206	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1377
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
53.03930	1.3
55.01857	2.8
55.05495	1.4
56.05029	1.3
56.15132	1.0
57.03416	1.6
58.22768	0.8
59.04979	2.5
63.05310	1.0
67.05484	2.5
69.03407	2.5
69.07070	1.3
70.06577	6.2
70.29102	0.9
71.04955	1.5
71.08764	1.7
72.08150	6.4
72.08466	0.9
76.57813	1.0
79.05472	6.0
81.07015	5.6
82.07394	1.4
84.04476	1.6
84.08125	4.0
85.02859	1.6
85.06540	1.5
86.09656	2.0
89.05990	2.5
91.05452	8.8
93.07023	4.1
94.04139	2.0
95.04939	2.5
95.08591	2.0
97.02863	1.6
100.07589	5.5
103.05443	6.0
105.01785	1.0
105.07005	19.2
107.04924	8.6
107.08541	3.9
108.08904	1.3
109.06493	3.4
109.10146	1.9
110.07098	1.2
110.09396	1.1
111.08077	1.0
115.05397	6.1
117.05463	1.5
117.06982	2.9
118.04161	1.8
119.04911	5.6
119.08553	2.4
120.08059	2.5
121.06489	2.2
121.10126	1.6
122.03615	6.3
124.07580	1.2
126.09079	1.5
128.06175	2.3
128.50554	1.0
129.06956	4.2
131.04871	5.3
131.08498	1.7
132.05690	4.3
133.02864	1.0
133.06462	14.1
133.08560	1.4
133.10182	1.4
134.00230	1.0
135.08037	3.0
137.02365	2.3
137.05948	100.0
139.11160	1.3
141.69879	1.0
143.06007	1.3
144.05705	1.5
145.06476	2.3
147.04385	5.5
147.08000	2.9
149.05957	3.6
150.06821	1.9
151.07463	2.6
153.66389	0.9
157.06438	1.5
159.07990	5.2
160.05208	2.2
161.05949	32.8
161.09610	1.2
162.06717	3.2
163.07494	6.2
165.06790	1.1
167.07045	8.2
172.05147	5.3
172.13324	2.1
175.07506	24.4
177.05435	2.7
179.07018	6.3
181.08623	2.0
181.41714	0.9
185.05858	1.1
187.07487	25.9
188.07941	1.1
189.09087	2.2
190.07721	2.3
191.06990	1.9
191.08455	5.5
199.07428	2.0
201.04994	1.0
202.07753	1.4
203.08543	3.3
205.06567	1.2
209.07979	2.2
217.08557	3.6
218.07202	2.8
219.07997	9.1
220.08812	2.5
224.16473	2.4
225.16747	6.9
231.08025	3.4
235.07462	1.9
236.08337	2.2
238.14302	2.6
247.07462	6.0
248.08200	3.3
251.10648	9.6
252.10754	1.0
259.07404	2.2
260.08350	1.3
263.07092	1.0
263.10638	3.6
264.07816	1.4
265.08575	1.8
266.09149	1.2
276.07748	2.2
277.09323	1.1
279.10175	13.4
280.10910	1.5
281.08237	1.4
281.11566	1.0
291.10114	8.0
295.09909	1.9
296.10324	2.2
297.11023	2.2
309.11163	8.3
311.12704	18.1
312.13257	1.1
323.12680	7.7
324.17899	2.1
324.23575	3.8
341.07144	5.0
341.13855	23.2
341.20370	5.6
341.26022	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	341.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.3
57.03427	4.5
60.12117	0.5
61.02914	2.5
62.00399	0.5
69.03419	8.0
69.07050	0.6
70.06582	1.2
71.01344	1.7
71.04972	2.2
72.08156	1.0
73.02894	1.1
79.05492	0.7
81.03416	0.9
84.08121	2.0
85.02879	1.0
88.02192	0.7
91.05460	2.1
95.04996	0.7
95.09716	0.5
99.04444	3.3
105.06997	0.7
105.74294	0.5
106.06569	1.0
107.04910	2.0
109.02826	1.0
109.06538	0.5
110.07156	1.4
116.04969	1.2
117.09115	1.1
118.05242	1.0
119.04922	5.3
123.04480	1.0
124.03922	0.6
129.10150	0.6
131.06071	0.6
133.02834	0.7
133.07587	15.9
137.05952	1.1
145.07579	23.2
147.04385	22.0
147.09149	1.9
157.07512	0.6
159.09103	0.7
161.07051	1.2
163.08636	66.0
164.09030	1.3
167.07048	1.3
169.06429	0.6
175.08600	1.0
177.06635	1.0
177.10269	0.5
179.03366	6.5
179.06822	1.0
183.09193	0.9
188.09419	1.6
189.06654	2.6
189.10237	1.7
192.06407	0.7
196.08197	0.7
201.10207	0.8
207.07616	88.2
208.07967	2.2
218.10497	0.5
219.11247	0.8
229.15033	0.6
231.11200	0.6
249.12444	0.7
261.12067	0.5
279.13351	10.2
297.14392	41.5
298.14764	0.9
305.10983	0.9
323.12317	6.2
341.13333	100.0
342.13757	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	340.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74562	0.4
55.05489	0.8
57.60229	0.4
58.06583	0.8
67.05494	1.7
70.06583	5.3
71.01660	0.9
71.04980	0.7
72.04499	3.5
72.08144	91.1
78.81513	0.3
79.05479	0.8
81.07044	1.2
82.06588	0.5
84.08137	5.8
85.02896	0.4
86.09670	0.8
91.05463	1.2
93.07028	1.0
94.06525	0.4
95.08590	0.9
96.08097	0.5
97.08925	0.6
98.09697	2.5
100.07600	79.6
101.07931	0.9
105.07011	0.4
107.04952	0.6
109.02843	0.6
109.75981	0.4
110.07171	0.7
110.09658	1.8
112.07586	0.8
112.11234	0.5
114.09171	0.9
119.04904	1.0
119.08573	0.8
120.05276	0.6
121.10168	0.4
127.03894	0.5
129.10263	0.4
136.07585	0.7
137.05927	2.0
145.02826	0.7
147.04399	4.4
148.04749	2.5
157.13335	3.0
161.64592	0.9
169.13350	0.9
171.14896	16.4
177.05446	1.7
178.04944	0.6
179.03362	1.2
179.06984	0.5
182.15257	0.4
184.16913	2.6
210.18474	1.4
212.20111	0.5
224.20065	20.2
229.22691	0.8
252.19611	1.5
254.21088	1.0
269.22250	7.4
271.23782	1.7
322.28537	0.5
323.26889	1.7
340.29532	100.0
341.29840	3.7
342.99969	0.4
359.78574	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19566	1.0
53.03941	7.4
55.01862	2.9
55.05483	3.3
57.03415	2.9
59.05003	1.0
61.02898	1.5
67.05484	2.5
68.05016	13.1
69.03415	10.6
69.07050	2.0
70.06586	9.6
71.04972	5.1
71.52026	1.7
72.04479	1.0
72.08141	25.9
73.02898	2.5
73.08479	5.3
74.06049	1.5
79.05493	6.0
81.03404	16.8
81.07024	3.9
83.04971	6.1
84.04462	1.7
84.08134	7.0
85.02524	0.8
85.02892	10.8
86.09669	4.3
87.04456	1.6
88.87269	1.1
89.06001	1.9
91.05450	15.0
93.06998	2.3
95.04922	1.8
95.08573	2.9
97.02894	1.3
97.70840	1.1
99.04436	13.1
100.07595	17.6
101.07915	3.9
103.03925	18.5
105.07007	3.3
107.04932	7.2
107.08562	1.8
109.02863	39.3
109.06493	10.9
110.06009	3.8
110.07170	1.6
111.04428	1.1
112.08585	1.1
112.11110	1.1
114.05479	3.4
119.04925	18.9
119.08556	1.8
120.05226	1.3
120.08089	1.5
121.06500	1.6
121.10205	1.1
122.03633	3.5
123.04482	1.2
123.08028	1.9
124.07607	1.2
125.09599	2.1
127.03880	10.8
130.06442	1.2
133.06523	1.5
133.07564	2.9
133.08510	1.3
133.10017	1.2
134.05983	1.2
135.04366	3.9
135.08026	1.8
135.09103	1.1
136.07555	1.1
137.05949	100.0
138.06296	2.7
140.07054	1.8
145.02823	2.8
145.04872	1.7
145.10100	1.4
147.04381	58.5
148.04750	2.5
149.04951	1.3
149.09558	8.2
151.03868	1.6
151.07520	2.6
153.05424	8.2
153.09061	2.2
161.05905	2.3
161.07077	6.6
161.09506	1.2
163.03844	1.6
163.08646	4.6
165.09004	1.1
167.06990	2.9
171.14848	2.9
172.15216	2.3
173.09479	1.4
177.05470	5.7
179.03406	16.9
179.06976	55.0
189.06534	5.3
191.08138	4.5
191.10603	3.0
197.08061	15.1
203.06932	2.3
207.07613	73.2
208.08022	2.8
217.08633	1.4
219.10098	3.1
221.09456	1.4
224.19997	2.7
225.20349	2.9
237.11108	1.2
270.22418	1.2
279.10040	1.2
291.10098	2.2
299.12268	2.9
305.10181	3.1
311.12811	1.3
323.12271	25.8
323.19644	1.2
323.28793	5.5
339.15295	1.0
340.29626	1.7
341.02826	3.9
341.13339	33.0
341.19901	1.4
341.29892	18.7
342.13657	1.7
348.22864	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.0
57.03452	0.4
58.06588	0.9
58.51672	0.3
59.04986	1.7
60.04520	0.3
64.96341	0.3
67.05485	1.9
68.05011	0.4
69.03417	0.8
69.07066	0.5
69.23928	0.3
70.06579	6.4
71.04961	0.4
71.52982	0.7
72.04499	3.8
72.08139	89.6
73.02923	0.3
73.08475	0.8
79.05476	1.1
81.03395	0.4
81.07041	1.3
82.06545	0.4
83.04957	0.3
84.04494	0.4
84.08130	6.4
85.02895	1.8
86.09676	0.6
91.05460	1.4
93.06999	0.6
95.08602	0.9
96.08109	0.7
97.02889	0.3
97.06516	0.3
97.08910	0.6
97.24783	0.3
98.09662	2.0
99.04427	0.4
100.07596	79.5
101.07941	1.0
103.03899	0.5
105.03319	0.4
105.07017	0.6
107.04953	0.9
107.08571	0.6
109.02790	0.5
109.10120	0.6
110.06043	0.6
110.07137	1.3
110.09667	2.6
111.04420	0.3
112.07610	0.6
112.11278	0.7
114.09127	1.5
116.07032	0.4
119.04942	1.6
119.08556	0.5
120.05252	0.6
120.08084	0.4
122.06004	1.1
123.04431	0.9
123.06334	0.6
123.08002	0.4
124.07588	0.7
127.03908	0.7
130.08583	0.5
131.04865	0.5
131.08553	0.4
132.04376	0.5
133.02838	0.9
134.06013	0.5
135.04364	0.4
135.11655	0.4
136.07536	2.7
137.05977	1.8
137.07912	1.6
143.11800	0.3
145.02863	0.7
147.04362	4.3
147.08015	0.6
148.04709	3.4
149.05983	0.6
151.03896	0.4
152.07045	3.0
153.07410	2.1
155.11792	0.3
156.07620	0.7
157.13293	2.2
161.02432	0.3
161.05956	0.6
163.03862	0.4
164.07031	3.3
165.05452	0.7
165.07404	2.6
166.15868	0.6
167.07033	0.7
169.13351	1.2
171.14893	15.5
175.07529	0.6
177.05434	1.5
178.04942	14.1
179.03349	9.0
179.05174	0.7
179.06984	1.3
179.12772	0.7
182.08063	0.7
183.08406	0.9
184.16899	2.4
187.07532	0.5
189.05507	0.9
201.09097	1.0
206.19118	0.4
207.07684	0.5
210.18474	1.1
217.04955	0.5
224.20039	18.6
229.22801	0.7
251.21233	1.2
252.19478	1.7
254.21153	1.2
263.05463	1.5
269.22198	6.6
271.23782	1.7
279.10156	0.5
304.13690	2.4
322.14709	1.1
322.28525	0.7
323.07242	0.4
323.26907	1.4
340.29507	100.0
341.12869	0.4
341.29803	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	340.259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
53.67635	0.3
55.01868	3.4
55.05504	3.9
56.05019	0.5
57.03418	2.0
57.07053	0.7
58.02940	0.7
58.06580	1.6
59.04983	0.7
59.58224	0.4
60.04505	0.5
61.01128	0.4
61.02910	0.7
65.03915	0.7
67.05488	4.6
68.05023	0.5
69.03416	2.8
69.07056	2.0
70.06580	4.7
71.04974	1.6
71.08683	0.4
71.52483	0.4
71.52859	0.5
72.04491	0.6
72.08138	42.7
73.02914	0.8
73.06507	0.4
73.08480	0.4
76.18390	0.4
77.03919	0.6
79.05479	19.1
80.05846	0.4
81.03403	2.1
81.07037	22.4
82.06557	0.7
82.07348	0.5
83.04957	1.9
83.08598	3.8
84.04482	1.0
84.08131	6.1
85.02888	5.7
85.07652	9.6
86.06053	11.0
86.09698	4.1
87.00804	1.6
87.04443	0.4
88.02157	0.8
89.06001	0.6
91.05446	6.9
93.07026	16.7
94.04195	0.4
94.07386	0.6
95.04934	2.1
95.08578	4.4
97.02866	2.4
97.06499	0.7
97.10152	1.2
98.06031	1.4
98.09656	0.8
99.04435	1.1
100.07597	12.6
100.08260	0.8
101.07904	0.5
102.05505	0.5
103.03967	0.5
103.05441	2.0
103.08688	0.9
105.01838	3.6
105.03351	0.6
105.07014	7.1
107.04946	5.0
107.08570	22.7
108.08894	0.6
109.02843	1.5
109.06488	1.1
109.10120	1.2
109.80698	0.4
110.05982	0.6
110.07133	1.0
110.09669	0.5
112.07555	0.6
112.11217	2.9
113.05989	0.5
113.07117	0.9
114.09181	0.4
115.05446	0.6
116.07034	0.5
117.07060	0.6
119.04928	1.0
119.08556	1.6
120.08076	2.7
120.08802	0.5
121.02820	0.5
121.06506	1.4
121.10122	10.5
122.03607	0.9
122.05983	0.6
123.04414	0.5
123.08062	0.5
123.11686	0.5
124.07562	1.2
125.05962	0.7
125.09538	0.5
127.03889	4.9
129.06978	1.6
129.10204	1.1
129.13838	1.5
130.04958	0.5
131.04901	1.5
131.08534	9.7
133.02798	0.6
133.06467	1.5
133.10095	1.1
135.04393	0.4
135.08023	1.3
136.07573	1.3
137.02321	0.7
137.05952	14.5
138.05426	0.6
138.09161	0.5
139.11130	1.4
141.10138	0.5
143.10657	1.2
143.11708	0.4
145.02824	1.0
145.04933	1.6
146.05989	1.0
147.04391	2.8
147.08038	0.9
148.04770	0.9
149.05994	0.9
149.09593	11.0
151.03883	1.3
151.07509	0.9
151.09842	0.5
152.07173	0.5
155.11714	0.8
156.14929	15.5
157.13335	8.3
159.02884	0.6
161.05975	2.6
161.09610	1.0
163.03833	0.6
163.07494	2.4
163.08664	0.4
164.07047	0.5
165.05420	0.6
166.04970	0.9
166.12206	0.4
167.06982	0.8
167.10719	0.8
171.08002	0.6
171.14902	2.4
172.13330	1.1
173.05946	0.5
174.06738	0.6
174.15985	9.1
175.03876	0.7
175.07411	2.0
175.11000	0.4
177.05472	1.5
178.04839	0.6
178.12242	1.2
179.03392	0.7
179.07002	1.8
179.10693	0.5
180.06563	0.7
184.16922	4.8
187.07524	2.0
189.09251	0.5
191.07065	3.7
191.08630	0.9
191.10567	0.5
196.13281	0.9
199.07710	0.8
199.65167	0.4
200.32829	0.4
203.08557	1.0
206.15344	2.3
207.06346	0.6
217.08614	1.1
219.08109	0.8
220.16908	1.9
224.16403	20.3
224.20059	2.1
225.16728	0.8
229.22667	2.4
231.05013	1.3
231.07986	1.1
235.07683	0.6
238.17961	3.0
247.07610	0.5
248.08141	0.8
249.05862	0.6
251.10611	0.6
251.17447	0.8
252.19633	0.7
255.20757	0.6
259.07483	0.9
263.06955	0.5
263.10593	0.8
265.08572	0.5
269.22238	0.7
276.07736	1.0
279.10159	0.6
285.29041	0.5
291.10019	2.0
294.25217	0.5
295.23898	0.6
304.23938	0.9
305.21964	0.8
308.10074	0.9
309.11282	0.6
309.15781	0.4
311.12662	1.4
312.26437	1.4
322.24783	8.4
322.28323	0.8
323.09091	0.4
323.12784	1.8
323.23181	11.6
340.12766	1.3
340.25891	100.0
340.29565	15.5
341.06543	1.2
341.13824	2.8
341.21469	0.9
341.26059	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	340.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	7.0
55.05501	14.3
57.03422	6.8
57.07064	3.3
65.85120	2.5
67.05497	51.5
68.05838	2.9
69.03421	3.1
69.07043	11.3
69.58309	20.1
72.08135	12.4
79.05478	21.1
79.05882	2.6
80.06258	3.0
81.03407	3.3
81.07043	45.6
83.04973	21.2
83.08605	5.6
85.06517	8.7
89.06031	2.8
91.05465	29.0
93.07034	38.9
94.61099	2.7
95.04945	7.4
95.08601	16.9
97.06496	4.0
98.21085	10.5
100.07614	8.1
105.07014	36.0
107.08573	34.0
109.06478	7.0
109.10136	53.0
110.10471	4.5
111.08073	4.3
119.08585	9.9
121.10161	6.2
123.08054	4.0
123.11692	18.6
131.08513	4.0
133.10107	100.0
134.10474	3.8
135.08012	3.7
143.08524	5.8
145.10083	7.6
149.02271	3.2
151.07510	22.8
151.11145	83.2
152.11540	4.8
157.10085	4.7
161.09601	3.2
177.09027	7.0
179.10667	11.3
182.50862	2.8
183.13774	33.2
184.17009	3.6
191.10669	5.8
201.09108	5.6
211.13283	3.5
215.10725	4.2
229.12215	6.0
246.34311	2.7
273.18427	8.3
274.69104	2.8
283.16934	5.2
291.19571	10.9
305.21091	8.7
339.77722	4.2
340.29428	22.5
340.35693	4.1
340.39267	5.0
341.21191	13.4
341.24716	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	339.9829
Annotation	Unknow
Peak:m/z	Relative Intensity
65.24288	1.3
69.84254	7.4
88.97100	1.3
90.46097	1.4
94.92985	5.4
95.34481	1.2
98.20824	1.5
103.90027	1.2
112.89579	5.3
119.92520	2.7
136.94019	2.0
173.97188	5.5
188.93486	1.6
212.84254	4.1
217.96164	5.5
219.91968	3.0
219.94077	51.2
221.95615	8.6
242.96492	1.9
249.95128	11.8
261.95056	3.0
279.96170	100.0
280.96536	3.2
313.69846	1.5
339.98282	28.2
340.02322	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	340.102
Annotation	6-hydroxyindole-3-carboxylic acd 6-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.54637	0.1
53.03920	0.4
55.01835	0.5
55.05496	0.8
57.03394	0.7
61.02914	1.4
62.61921	0.2
62.76839	0.1
67.05460	0.5
69.03415	2.6
69.07040	0.4
70.06555	0.6
70.80360	0.4
71.04950	0.6
72.07748	0.3
72.08138	5.9
73.02881	0.7
79.05479	2.0
79.47066	0.1
81.03406	1.2
81.07044	1.6
83.01333	0.2
83.08604	0.2
83.62241	0.1
84.08100	0.7
85.02888	6.0
85.07644	1.4
86.06059	1.1
86.09669	0.3
87.04424	0.6
91.03900	0.5
91.05444	0.7
93.07019	1.4
95.04939	0.3
95.08604	0.2
97.02881	2.1
97.10125	0.3
98.06006	0.2
99.04434	0.5
100.07600	1.5
104.04951	0.4
105.06995	0.8
107.04922	0.5
107.08577	2.6
109.02831	0.7
109.06448	0.2
112.11201	0.5
119.04914	0.2
121.10137	0.7
122.06020	0.6
125.09647	0.2
127.03888	1.0
129.06902	0.2
129.13794	0.2
131.04936	0.2
131.08528	0.6
132.04425	3.8
133.02834	0.2
137.05954	1.6
143.10635	0.5
145.02803	0.3
145.04974	0.9
147.04373	0.5
148.04703	0.2
149.09627	1.0
156.14922	2.0
157.13330	0.8
160.03894	0.3
161.05965	0.3
162.68408	0.1
167.07043	0.2
171.14900	0.3
174.15984	0.7
175.07550	0.2
177.05437	0.4
178.04958	100.0
179.05299	4.2
179.06906	0.2
184.16945	0.5
187.07478	0.4
203.08566	0.2
206.15448	0.2
207.06503	0.2
217.08513	0.2
220.16859	0.2
224.16418	0.7
224.20137	0.2
229.22681	0.3
231.07896	0.3
238.17982	0.6
252.19646	0.3
263.05521	0.2
291.10077	0.3
298.28537	0.4
308.09866	0.1
311.12509	0.2
312.26422	0.2
322.24933	0.7
323.12732	0.3
323.23114	0.9
323.26694	0.2
340.09866	1.5
340.25903	9.3
340.29636	2.2
341.13782	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.8
55.01867	9.9
55.05493	6.0
56.05033	3.7
57.03416	6.5
58.06591	4.3
59.04979	1.8
60.04514	1.6
61.01172	1.7
61.02917	6.6
65.03920	2.5
65.78969	1.5
67.05481	7.4
68.05000	2.1
68.99786	2.7
69.03418	39.6
69.07036	4.5
70.06586	21.5
71.04980	5.9
71.52174	1.6
72.04472	1.8
72.08144	87.4
73.02907	9.8
79.05485	17.2
81.03407	23.9
81.07049	18.7
83.04965	3.6
83.06052	1.5
83.08597	3.9
84.04504	4.2
84.08136	21.0
84.13388	1.4
85.02893	100.0
85.07652	8.2
86.03229	1.7
86.06060	14.2
86.09695	11.3
86.11620	1.3
87.00300	3.1
87.00817	45.6
87.04462	2.4
88.02209	2.9
88.03967	3.4
91.03948	2.7
91.05444	9.6
93.07034	16.9
95.04957	3.5
95.08585	4.4
95.80807	1.5
97.02289	2.5
97.02879	34.3
97.10167	1.4
98.06040	2.0
98.09653	2.8
99.04416	10.6
100.07601	45.0
100.08266	2.4
102.05515	1.7
103.05405	2.2
105.01852	91.7
105.03356	6.5
105.07007	5.2
107.04934	9.3
107.08570	21.5
108.04486	1.8
109.02858	24.4
109.06490	3.1
109.10182	1.5
110.07155	5.5
112.11232	4.9
115.03997	1.6
117.03349	2.0
119.04927	4.3
119.08570	2.6
120.08100	4.3
121.06493	2.9
121.10140	13.8
122.05975	2.6
122.10394	1.8
124.07584	1.7
126.05458	2.3
127.03898	82.4
129.01807	2.6
129.10236	3.6
129.13791	1.7
130.04985	1.7
130.08565	1.6
131.04900	2.9
131.08560	7.0
133.02786	2.3
133.06451	1.8
134.02655	2.2
135.08038	1.8
136.07558	2.7
137.05952	24.9
139.11163	1.7
143.08539	1.7
145.02863	2.6
145.04932	39.2
145.06023	3.1
146.03224	1.8
146.06020	2.8
147.02882	2.8
147.04398	6.2
148.04710	3.3
149.09572	15.3
151.03865	3.8
151.07500	1.7
153.06798	1.6
153.67302	1.7
156.14948	15.3
157.13321	10.0
159.02875	11.2
161.06000	3.4
163.07498	5.7
164.06989	1.6
167.06978	2.4
171.14919	10.2
174.15996	6.8
175.07445	1.8
177.04051	2.2
177.05379	7.5
179.03433	1.7
179.07013	2.7
180.06497	1.7
182.71227	1.6
183.09972	2.1
184.16940	26.0
187.07466	2.3
189.03918	2.4
191.06956	4.0
206.15411	2.1
207.06479	2.2
210.18462	1.6
213.03976	3.4
219.08206	2.4
220.16887	1.8
224.14345	2.2
224.16386	17.3
224.20085	5.4
229.22720	6.6
231.04973	28.0
231.07408	2.3
231.08113	1.6
238.17825	2.7
248.07858	2.3
249.05984	11.8
263.10812	2.1
269.22275	1.6
270.08911	1.6
291.10095	4.7
308.06546	1.7
311.12744	1.7
312.26260	2.2
322.24725	10.9
322.28326	3.4
323.12915	3.6
323.23355	15.1
323.26840	2.4
340.12714	3.8
340.25848	90.3
340.29584	63.8
341.13675	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	339.2525
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
55.01839	2.2
55.05499	13.2
57.03413	7.3
57.07050	6.0
67.05493	71.3
69.07057	15.8
69.77635	12.5
70.06564	2.4
71.03680	2.2
71.04984	2.7
72.08144	12.9
75.04442	2.5
79.05486	39.1
81.06584	3.8
81.07042	68.2
82.07367	2.8
83.08587	8.8
84.08128	6.0
85.06480	3.2
87.13081	2.0
91.05462	18.6
93.07024	56.4
95.04957	2.9
95.07975	3.8
95.08585	80.0
97.06503	4.3
97.10131	4.8
98.21423	3.1
99.08074	3.1
100.07581	9.4
105.07005	24.3
107.08569	43.9
109.02843	2.2
109.10127	44.3
111.08011	3.5
117.07012	12.3
119.08567	19.9
121.10121	46.8
123.11690	15.5
125.09598	3.4
131.08533	22.9
133.10074	15.8
135.11659	34.0
137.13240	6.0
139.11096	3.0
145.10106	20.5
147.04366	4.1
147.11656	12.7
149.13239	20.9
151.11119	4.1
156.99411	2.2
159.11639	19.4
161.13190	5.4
163.14757	7.8
173.13255	15.8
184.16847	3.5
187.14787	4.5
201.16228	3.5
219.21043	5.1
224.20146	2.4
229.19511	36.0
247.20515	100.0
248.20802	6.5
251.07283	2.8
259.72238	2.1
283.16833	5.9
303.23016	2.3
321.24109	9.4
339.25156	25.8
339.28171	2.6
340.25641	3.5
340.29422	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	339.2525
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
51.57579	0.9
53.03926	2.9
55.01857	1.5
55.05502	14.6
57.03431	7.8
57.07040	4.3
65.03918	2.5
67.05496	85.6
68.05819	1.4
69.07059	13.7
71.04963	2.3
71.08612	1.7
71.15440	1.0
71.52888	1.7
72.08143	6.1
73.08462	1.1
75.04436	1.4
77.03886	1.1
79.05482	42.6
81.03399	1.4
81.07043	96.7
82.07363	1.9
83.04964	1.4
83.08609	6.6
83.41552	1.0
84.08112	2.7
85.06528	3.7
86.09715	5.0
87.10000	1.9
91.05460	22.7
92.05710	1.0
93.07032	58.1
94.07333	1.9
95.04941	3.1
95.08592	94.4
95.25756	1.0
96.08946	2.1
97.06506	3.6
97.10172	5.4
98.09606	1.1
99.08058	2.1
99.14592	0.9
100.07607	7.2
105.07016	22.7
106.07291	1.1
107.08578	46.8
109.06495	2.8
109.10142	58.6
110.10419	1.1
111.08041	2.3
111.11685	1.3
113.09639	1.3
117.06989	8.3
119.08569	21.1
121.10128	39.2
122.10460	1.3
123.08008	2.3
123.11686	22.8
125.09607	2.2
131.08543	19.0
133.10110	16.5
134.30434	1.1
135.11670	36.6
137.09564	2.4
137.13269	6.8
139.11115	2.6
145.10095	21.5
146.11711	1.2
147.04399	2.8
147.11630	13.7
148.12018	1.3
149.09595	1.9
149.13234	21.2
151.11119	3.0
153.12694	1.5
159.11674	20.9
161.13228	5.5
163.11118	2.1
163.14806	7.7
165.12662	2.0
171.11472	1.5
171.14882	1.8
173.13252	14.9
173.20973	1.0
175.11278	1.0
175.14795	1.7
177.05443	1.3
177.12729	1.3
183.59447	1.0
184.16914	1.5
185.13257	1.0
187.14848	6.4
191.14291	2.1
195.13640	1.1
201.16376	2.3
205.15894	1.2
219.21103	5.1
229.19466	35.9
247.20531	100.0
248.20885	4.1
249.22015	1.8
265.21555	5.9
279.21420	1.6
280.26755	1.0
283.16913	4.1
303.22968	2.9
321.20651	1.6
321.24219	18.1
321.27649	2.2
339.18787	3.1
339.25217	41.5
340.25677	1.7
340.29324	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	339.2524
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03927	2.7
55.05271	1.1
55.05502	12.1
57.03434	7.8
57.07060	2.6
62.06653	1.2
65.03922	2.7
67.05493	82.3
68.05814	2.8
68.22536	1.3
69.07054	13.8
71.04973	3.4
71.08607	1.9
72.08138	3.9
75.04461	2.6
79.05482	37.3
81.07040	84.1
83.04961	1.8
83.08613	5.6
85.06509	2.7
91.05460	20.8
93.07027	54.4
94.07337	1.4
95.04962	2.1
95.08590	84.9
95.49108	1.2
96.04462	3.1
96.08900	1.4
97.04829	1.6
97.06496	3.1
97.10139	4.7
98.20726	3.0
98.48543	1.1
99.08083	2.3
100.07578	3.1
100.13390	1.3
105.07012	19.4
107.08569	38.8
109.06475	1.9
109.10137	52.4
110.10468	1.4
111.08061	2.3
113.09634	1.3
117.07000	7.3
119.08564	19.7
121.09233	2.0
121.10118	41.2
122.10445	1.6
123.08080	1.4
123.11687	20.5
125.09578	2.1
131.08549	14.0
133.10120	18.3
135.11665	34.7
137.09619	2.1
137.13202	5.1
139.11115	1.6
145.10098	20.9
147.11655	13.6
149.13222	21.9
151.11102	2.6
159.11667	22.9
161.13182	5.4
163.11137	1.6
163.14769	6.7
165.12749	3.4
173.13231	14.8
175.14757	1.9
177.12773	1.9
181.11760	1.2
187.14760	3.9
201.16338	2.2
219.17203	1.0
219.21004	5.4
229.19470	31.8
230.19847	1.3
247.20534	100.0
248.20854	4.7
249.22214	1.7
265.21564	7.5
283.16937	2.5
291.23273	2.0
303.22946	1.5
321.24188	17.0
322.27469	2.4
339.25223	38.4
340.25562	3.6
340.29343	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	339.2524
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03920	5.2
55.01852	4.2
55.05253	2.3
55.05498	20.5
57.03413	6.4
57.07048	6.3
59.04980	5.7
64.80267	1.8
65.77560	1.7
67.05159	3.0
67.05491	37.9
69.03415	12.4
69.07056	51.7
70.06576	3.9
70.95842	1.8
71.04979	27.2
71.55495	3.0
72.08132	8.9
73.02879	2.6
79.05479	33.1
81.03416	10.5
81.07040	92.6
82.07384	2.1
83.04979	9.0
83.08602	7.5
84.08125	3.9
85.02880	5.1
85.06520	7.0
86.09697	5.3
87.04456	4.6
87.51131	1.6
89.03889	2.8
89.14299	1.7
91.05455	23.1
93.07024	100.0
94.07404	2.3
95.04955	30.6
95.08591	81.1
96.08889	2.3
97.02872	2.7
97.06516	16.4
97.10126	8.4
98.09654	3.1
99.04447	3.5
99.08080	5.7
100.07591	5.6
103.05410	3.2
105.07014	43.7
106.07504	2.1
107.04915	2.7
107.08569	44.2
109.02845	3.0
109.06488	23.9
109.10128	40.1
111.08051	14.3
111.11701	4.8
117.03391	8.7
117.06978	5.0
119.04865	5.3
119.08556	28.7
120.08127	2.4
121.06464	6.4
121.10125	84.6
122.10458	3.9
123.08063	13.2
123.11687	39.0
125.05970	4.5
125.09607	10.2
127.07523	3.5
127.11150	7.8
129.06969	2.3
131.04869	2.7
131.08562	14.2
133.10109	24.3
135.08037	6.3
135.11674	17.4
137.05975	6.2
137.09598	12.9
137.13199	21.7
139.11136	19.2
141.12775	3.3
143.08539	6.3
144.09270	1.9
145.02809	19.6
145.10103	18.3
145.79195	1.9
147.04379	6.1
147.08113	1.9
147.11653	14.0
149.05939	4.9
149.09624	8.8
149.13190	6.9
151.11105	8.8
153.12714	11.5
155.10558	2.8
157.10118	10.4
159.07971	2.0
159.11659	13.0
161.09602	15.3
161.13174	6.7
163.03839	4.0
163.11113	13.8
163.14738	1.9
165.09067	4.1
165.12726	9.1
167.10663	12.9
169.10046	2.2
171.11671	4.2
173.09599	2.5
173.13199	9.4
175.11137	2.4
175.14708	5.0
175.38158	2.2
177.05438	38.6
177.12749	2.7
179.10698	4.6
181.12219	6.4
183.11652	2.2
185.11761	1.9
185.13257	2.9
187.14757	5.2
189.09073	3.7
189.12759	2.0
189.16339	4.8
191.14122	2.0
193.15944	2.0
195.33969	1.9
197.13153	2.1
199.14789	16.0
200.79611	1.7
201.16330	2.6
203.17940	2.6
205.15892	3.4
207.08220	2.9
207.10069	2.9
207.17314	2.5
211.14818	2.4
213.16278	4.9
215.17935	6.1
217.15862	6.8
219.07942	2.4
225.16371	2.3
235.07353	2.0
235.16805	4.5
247.07437	3.0
257.22647	2.4
266.13614	3.8
267.21109	2.9
273.21973	3.9
279.11288	12.4
280.19031	3.3
285.22049	9.3
291.23129	4.6
293.13351	3.3
303.23056	18.4
307.09445	3.1
311.12836	2.4
321.09747	7.5
321.21100	2.3
321.24301	19.8
322.24863	3.1
339.13425	14.9
339.25052	11.7
340.13367	2.8
340.21414	4.0
340.29520	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34643	0.6
52.62388	0.9
53.03938	1.1
53.71852	0.7
55.01873	1.3
65.03925	1.1
65.30532	0.7
65.55496	0.6
67.05492	2.0
68.02621	0.7
70.06577	1.8
70.12954	2.5
70.47407	0.6
70.78129	0.6
72.08140	2.9
79.05481	3.3
81.03400	0.8
81.07037	6.3
82.06567	1.1
84.08138	1.5
86.09678	0.8
87.43307	0.7
91.05455	6.6
93.05750	1.0
93.07030	2.2
94.06559	2.3
95.04942	0.9
95.08580	1.2
96.08128	2.5
97.06472	0.9
100.07616	2.1
106.06522	0.9
107.07316	0.7
108.08081	1.9
109.06486	1.9
110.06034	10.6
117.03368	0.9
119.04912	11.4
120.04440	1.5
120.08072	1.3
122.06006	19.3
123.06786	1.9
124.07569	16.8
134.05992	16.0
136.07550	79.6
137.07849	1.2
138.05470	1.7
138.09123	0.8
140.07048	7.0
141.06941	0.7
141.09128	0.7
145.02795	1.3
147.04381	43.6
148.04723	1.7
150.05466	7.1
150.73373	0.7
152.07033	97.1
153.07385	2.7
154.08643	0.9
158.08110	2.0
160.07436	1.2
161.69510	0.8
163.03867	1.7
164.07033	100.0
165.05365	1.0
165.07379	1.6
166.08612	1.5
168.06517	2.3
169.06447	0.7
170.08102	17.3
171.35556	0.7
171.54086	0.8
172.11198	1.3
177.05432	3.1
178.04974	1.3
182.08090	32.5
198.09062	0.8
200.10669	2.1
203.03407	1.0
214.12183	1.8
232.13321	0.9
242.11670	2.3
243.11380	1.4
248.95837	0.7
260.12744	6.1
285.12256	2.8
303.13321	57.8
304.13684	1.8
321.14413	20.7
321.27173	1.3
339.06854	2.1
339.11957	1.0
339.15527	3.6
339.27954	1.1
340.29208	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	7.8
55.01846	6.1
55.04397	4.9
55.05490	15.9
57.03406	5.4
57.07072	5.0
57.27421	4.6
67.05495	41.9
69.03402	23.1
69.07050	67.2
69.57975	25.0
69.58405	15.0
70.06571	14.1
71.04977	6.8
72.08141	60.2
73.08468	8.1
75.46587	5.1
79.05479	40.6
81.03392	21.4
81.07041	100.0
81.55510	5.0
83.08567	7.3
84.08131	18.7
85.02888	10.7
85.06533	11.2
86.09684	10.2
89.03899	9.1
91.05453	27.5
93.07032	59.7
95.04958	40.1
95.08582	61.4
97.02843	7.1
97.06500	16.5
97.10140	9.1
100.07591	63.0
105.07007	51.7
107.04917	9.5
107.08581	36.1
107.83437	5.2
109.06496	56.4
109.10147	49.0
109.12286	5.6
111.04443	7.6
111.08053	9.5
117.03354	10.5
117.06987	10.6
119.04915	7.3
119.08547	49.4
121.06452	8.5
121.10120	46.8
123.07993	7.5
123.11682	71.4
125.05993	24.8
125.09589	12.0
127.03914	5.9
127.07503	7.7
128.18465	5.2
131.08540	12.5
133.06462	5.7
133.10085	26.9
135.04434	6.1
135.07999	17.9
135.11658	14.9
137.05972	15.8
137.09584	21.2
139.11165	13.6
143.08554	7.6
145.02817	39.8
145.10098	16.9
147.04395	14.6
147.11636	18.3
149.05951	9.7
157.10094	11.9
159.11664	17.5
161.09604	19.4
161.13248	6.1
163.11217	6.6
165.09103	18.3
169.10100	6.7
171.14975	11.0
173.13304	8.6
175.03796	6.9
175.11316	6.0
175.14784	6.9
177.05429	73.7
184.16904	9.5
185.13187	7.8
189.09094	7.7
207.06416	6.1
207.17450	11.6
208.13269	14.1
224.20084	6.2
229.22734	6.3
247.07343	7.7
281.07813	6.4
285.21933	6.8
303.23129	21.8
307.09622	13.1
321.24084	15.8
321.27362	9.9
339.12296	27.8
339.28165	8.8
340.17621	30.8
340.29480	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	339.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	1.0
56.18808	0.2
61.54504	0.2
65.03922	0.9
65.54233	0.2
67.05469	0.3
69.03407	0.4
69.58333	0.9
69.58755	0.7
70.06567	0.4
72.08151	0.4
73.02892	0.6
83.01323	1.0
84.08149	0.6
85.02882	0.6
91.05466	10.2
95.01304	0.5
95.04985	0.2
97.02889	0.2
98.21477	0.4
101.02352	1.0
105.01798	0.2
106.67506	0.2
110.07158	0.4
113.02358	0.4
117.03347	0.2
119.04923	25.5
120.05243	0.4
120.08112	0.2
122.06001	0.5
123.04463	0.3
127.03922	0.3
129.01836	0.4
136.07579	0.8
140.07069	0.3
145.02843	0.5
147.04388	100.0
148.04730	2.7
152.07036	0.8
163.03880	0.7
164.07028	0.8
165.05446	1.3
166.03203	3.3
166.05350	0.4
171.44032	0.2
177.05449	0.7
182.08171	0.3
203.03355	0.6
207.11221	0.2
222.96584	0.2
230.11702	0.5
247.14294	0.3
253.48225	0.2
258.11188	0.4
275.13779	0.4
276.12262	0.6
285.12494	0.3
286.10443	0.3
295.07352	0.3
303.13409	0.9
321.14331	1.1
339.07050	7.0
339.10760	0.3
339.15302	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	338.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.0
55.05500	1.7
56.05024	1.7
58.06590	2.5
60.04516	0.7
60.05616	0.6
65.03938	0.8
67.05491	1.9
67.07279	0.5
69.03405	2.0
69.07034	1.0
69.98129	1.7
69.98515	1.1
70.02936	0.7
70.06583	8.5
71.04980	1.2
72.04506	3.6
72.08144	100.0
73.08482	2.0
74.06060	2.1
75.72099	0.6
79.05483	8.7
80.05028	0.6
81.03403	1.2
81.07053	1.7
82.06583	0.6
83.01320	2.1
83.08610	1.1
84.04500	1.2
84.08139	10.6
85.02882	1.9
86.06055	3.7
86.09693	1.9
89.03916	1.7
91.05464	10.0
93.07025	2.3
94.06547	0.8
95.01302	1.8
95.01874	0.6
95.04958	0.6
95.08613	0.9
96.08147	1.2
97.02889	0.8
97.06499	1.0
98.09681	2.2
100.07600	86.6
101.02355	1.7
101.07182	0.9
101.07880	0.6
103.05475	1.3
104.04530	0.7
105.07026	2.5
107.04955	0.9
107.08572	5.0
109.02834	0.9
110.06038	0.9
110.07141	1.4
110.09679	2.3
111.08420	0.6
112.07589	0.9
114.09161	1.9
115.07555	0.6
117.03354	2.6
119.04928	22.5
120.08093	10.9
121.02835	0.8
121.08447	1.2
122.06050	1.7
123.04433	1.1
123.08030	1.1
124.07565	1.1
127.03904	0.7
129.10194	2.9
130.06494	0.8
131.04829	1.5
133.02843	0.6
133.10094	0.9
134.05962	1.1
135.04404	4.8
136.07567	6.6
137.05988	1.0
137.07976	0.6
138.09099	0.7
140.07062	0.8
141.01813	0.8
141.09081	1.5
145.02805	4.9
146.06006	1.3
147.04388	92.3
148.04770	1.3
149.02321	1.7
149.05945	1.4
150.05508	1.0
152.07056	4.8
155.11783	1.2
157.13354	2.4
158.05919	0.6
158.09540	0.8
159.04300	0.7
159.10159	0.9
161.66010	0.7
163.03879	28.0
164.07054	6.0
164.14294	1.4
165.05486	2.2
169.04547	0.7
169.13351	0.7
170.08107	0.6
171.14902	18.5
171.16319	1.3
172.15221	0.9
175.02440	0.8
175.03851	1.3
176.07013	2.2
177.01828	1.9
177.05412	7.5
182.06714	0.6
182.08040	3.0
182.15364	1.2
187.03847	0.8
190.15892	0.9
191.03358	0.7
203.03365	36.7
204.17509	3.6
205.04968	1.9
208.16937	1.0
213.05396	0.7
215.03438	2.0
221.12828	1.8
222.18504	12.3
226.19078	1.6
229.04948	1.0
231.02849	5.0
233.04456	2.1
235.10730	1.6
249.12337	0.8
249.19717	1.4
250.17867	1.4
252.19383	0.6
261.03952	2.9
267.20636	4.4
269.22162	1.3
279.05008	5.4
291.04950	2.8
292.16412	0.7
303.13281	3.2
320.26920	28.3
321.14273	3.2
321.27481	1.0
338.17090	2.6
338.27963	80.9
339.07013	12.5
339.11362	1.0
339.15311	3.7
339.28262	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	337.2729
Annotation	Subamolide C
Peak:m/z	Relative Intensity
50.85662	0.3
51.02395	0.3
52.48705	0.3
53.00287	0.4
53.03938	1.3
55.01860	1.0
55.05502	24.3
56.05839	0.4
57.03429	16.4
57.07071	4.1
65.03913	1.8
67.05492	50.2
68.05830	0.6
69.03415	0.7
69.07056	28.7
69.93653	2.1
71.04994	1.9
71.08631	2.0
79.05481	12.3
79.05963	0.3
81.07040	51.1
82.07366	0.8
83.04965	1.3
83.08604	15.8
84.08950	0.5
85.06528	1.4
85.10197	0.5
91.05468	8.3
93.07024	13.5
94.07372	0.4
95.04944	1.1
95.08588	40.4
96.08935	0.8
97.06506	3.3
97.10139	6.7
99.08060	1.1
105.07010	6.3
107.08572	7.5
109.06482	0.8
109.10136	15.5
110.10448	0.4
111.08059	1.5
111.11676	1.7
113.09665	0.3
117.06948	0.4
119.08562	5.0
121.10132	5.4
123.08042	0.9
123.11687	6.1
123.76781	0.4
124.12008	0.4
125.09590	1.3
129.50850	0.4
133.10110	4.8
134.11667	0.4
135.11656	4.3
137.09570	0.6
137.13232	2.6
139.11150	0.6
141.09074	0.4
147.11673	3.7
149.13254	2.3
151.09596	0.4
151.11197	0.7
151.14795	1.4
153.12714	0.4
161.13235	2.4
163.14758	1.9
165.12776	0.8
165.16396	0.5
175.14790	2.2
177.16328	0.6
179.14256	0.5
179.17894	0.5
189.16399	1.0
203.17897	0.4
245.22589	2.4
263.23663	4.6
286.99753	0.4
337.27298	100.0
338.27643	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	337.2729
Annotation	Subamolide C
Peak:m/z	Relative Intensity
53.03926	1.5
55.01839	0.7
55.05502	25.1
57.03427	17.1
57.07061	3.6
65.03909	1.9
67.05495	51.6
68.05817	1.1
69.07056	32.0
71.04961	1.9
71.08604	1.8
71.17798	1.3
79.05482	12.8
81.07042	50.6
82.07386	1.2
83.04959	1.8
83.08604	11.9
85.06515	1.8
85.10179	1.0
87.20377	0.9
91.05460	10.5
93.07028	12.0
94.07320	0.7
95.04929	1.6
95.08593	39.2
96.08881	0.8
97.06504	3.3
97.10147	7.9
99.08055	1.6
105.07014	5.8
107.08572	8.2
109.10136	13.7
111.08073	1.2
111.11678	1.5
119.08585	5.3
121.10132	5.8
123.07995	1.2
123.11683	6.6
125.09582	1.0
127.07588	0.8
133.10135	5.5
135.11650	3.6
137.09573	1.0
137.13231	2.8
139.11182	0.9
147.11674	3.5
149.13246	2.1
151.14807	1.2
161.13217	2.7
163.14848	1.5
175.14774	2.2
177.16385	0.8
214.35214	0.6
245.22659	1.0
248.08850	0.7
249.94629	0.6
263.23633	3.0
318.19077	0.8
337.27301	100.0
338.27695	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
70.22745	4.2
70.23125	2.9
77.22835	1.2
86.48934	1.3
98.21478	1.4
104.10713	5.8
105.68176	1.4
125.85899	1.3
152.92099	1.4
156.69017	1.4
169.83784	1.1
241.66643	1.3
243.14543	1.6
321.21143	1.6
337.08859	100.0
338.09271	2.9
355.41077	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	337.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
70.81570	4.3
71.49895	1.5
84.08104	3.2
87.72673	1.4
112.97968	1.5
130.08614	3.2
134.16846	1.5
169.11005	1.5
207.99545	1.8
308.20776	1.5
315.12177	2.5
337.08890	100.0
338.08975	3.7
341.02167	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	337.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10833	1.6
53.03935	6.7
55.01859	17.6
55.05498	13.4
57.03431	3.1
59.04971	4.1
60.20240	1.7
60.37778	1.4
65.03899	2.3
67.01514	1.5
67.05486	15.5
69.03416	13.8
69.07052	17.0
69.22120	16.9
70.06601	1.9
71.04971	10.3
77.03931	2.5
79.05479	38.1
81.03381	2.5
81.07053	28.9
83.04961	11.8
83.08600	2.1
84.08125	3.2
85.06526	3.6
86.09736	1.9
87.04435	3.8
91.05457	28.4
93.07021	49.0
94.07381	1.7
95.04950	28.4
95.08589	22.4
97.02843	2.8
97.06512	15.9
97.10154	3.0
99.04441	7.9
99.08044	1.7
103.05439	5.4
104.10690	2.5
105.07011	86.6
106.07301	2.6
107.04923	20.4
107.08572	16.5
109.06507	12.6
109.10136	13.9
111.08055	4.2
115.05437	6.5
117.06991	20.2
119.04919	3.8
119.08556	19.4
121.02863	2.7
121.06480	92.3
121.10112	15.2
122.06006	3.2
122.06812	2.4
123.08038	4.5
123.11684	6.9
125.05996	8.7
125.09599	4.2
127.07510	2.5
128.06218	6.7
129.06978	12.2
130.07800	11.4
131.04881	5.9
131.08545	27.8
132.08839	2.1
133.06467	32.5
133.10101	18.8
135.04356	4.3
135.08029	5.6
135.11656	7.0
136.07550	3.4
137.05896	3.0
137.09560	14.3
138.03737	3.5
139.05885	1.7
139.07532	2.8
139.11180	5.4
141.06956	10.6
142.07761	3.3
143.06982	3.4
143.08543	10.6
144.09293	7.1
145.06464	18.7
145.10095	79.0
146.07202	2.5
146.10452	3.7
147.04388	2.0
147.08028	4.9
147.11673	7.5
149.09605	2.8
149.13231	2.2
151.11124	4.5
153.06961	5.9
153.12666	2.5
154.07730	15.0
155.08499	12.5
157.06447	3.4
157.10155	5.2
158.07246	35.6
159.08047	19.8
159.11656	35.3
161.09613	13.2
161.13193	2.3
162.96945	1.6
163.07573	2.0
163.11180	4.9
164.07059	5.6
165.07370	5.1
165.09042	2.6
166.07524	1.8
167.08542	3.1
169.10100	17.5
171.07983	5.8
171.11644	3.7
172.08810	11.6
173.09595	100.0
174.09958	4.7
175.11153	4.2
175.14764	1.6
179.08507	11.2
181.06483	2.5
181.12109	2.0
182.07094	3.9
183.08443	2.2
183.11627	2.3
184.08527	2.7
187.11151	73.1
187.14738	3.0
188.11491	3.8
191.10669	3.7
191.14348	2.2
197.09583	33.6
198.10085	1.9
199.11307	1.7
205.12152	12.3
212.03717	9.4
213.16251	3.1
215.10637	87.8
216.10970	7.1
233.11678	28.8
251.12900	1.9
276.49643	1.6
277.08609	3.3
283.20554	3.5
301.11499	2.1
301.21625	6.8
319.22571	13.3
337.10876	6.3
337.20172	3.2
337.23752	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	336.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	0.7
57.03424	4.0
60.04507	2.1
61.02916	9.0
69.03422	4.6
69.93419	2.5
69.93848	1.4
71.01334	1.3
73.02905	61.9
81.03397	1.5
81.22445	0.6
82.06562	1.1
84.04490	54.4
85.02881	2.6
95.13220	0.9
96.04466	15.3
97.02881	4.5
98.06048	6.8
98.21416	1.2
108.04430	0.8
109.02895	3.3
115.03917	7.3
122.02340	1.0
124.03914	1.4
126.05494	69.6
127.03877	1.5
132.70433	0.7
133.04926	2.0
138.05475	100.0
139.05875	1.8
144.06544	15.7
168.06535	31.5
186.07591	19.0
204.08638	69.6
205.08870	1.1
233.66971	0.8
240.04889	1.4
252.04922	1.4
258.06076	1.1
270.06094	1.3
278.87225	0.7
294.11353	0.8
318.08163	1.0
318.20340	1.0
323.94055	0.8
330.29965	0.7
336.09204	1.4
336.12787	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	336.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	1.5
56.05008	2.0
57.03423	5.4
60.04506	2.0
61.02914	9.9
67.05479	2.2
68.05840	0.7
69.03410	6.3
70.06581	1.4
70.82736	1.3
71.01337	1.1
71.04971	1.4
73.02902	66.2
79.15990	0.6
81.03389	2.6
81.07032	3.4
82.06548	1.0
83.01337	0.9
83.04951	1.0
84.04489	65.1
85.02875	3.8
87.04440	1.1
91.05449	1.0
93.07007	2.0
96.04472	15.1
97.02870	5.6
98.06041	8.0
105.07011	0.9
107.08551	1.0
108.04453	1.5
109.02833	3.3
110.02365	1.1
110.06021	0.6
114.05545	0.9
115.03902	7.8
119.19510	0.6
120.08041	1.0
121.10150	0.7
121.46059	0.7
122.02370	1.8
123.11658	1.3
124.03940	1.7
126.05491	88.0
127.03881	2.2
127.05816	0.8
131.08562	0.6
132.57613	0.7
133.04951	1.8
138.05470	100.0
139.05814	1.3
143.03912	0.6
144.06534	14.0
145.10138	1.0
159.11639	1.2
168.06528	33.7
177.12712	1.8
186.07579	24.7
204.08636	86.2
205.08987	1.5
240.04924	2.1
243.15852	4.1
252.05013	1.5
268.14227	0.8
269.17377	4.3
274.21707	0.9
319.15219	0.7
336.09265	0.9
336.12842	8.9
336.25482	1.8
336.29935	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1908
Annotation	Gly Leu Phe
Peak:m/z	Relative Intensity
55.05472	0.6
56.61054	0.5
65.58089	0.5
67.05489	0.9
69.03394	0.7
69.07059	1.1
69.44102	2.9
69.44517	1.6
70.06579	9.0
72.08138	1.7
75.05575	0.5
76.02220	0.6
79.05460	0.6
81.07030	1.5
83.04964	0.5
84.04488	0.6
84.08109	1.2
85.02868	0.8
86.09690	100.0
87.10032	1.2
91.05469	1.4
93.07027	2.0
95.04955	1.2
95.08611	0.8
97.02898	0.5
100.11263	0.6
103.05446	2.1
105.07014	1.0
107.08541	1.0
110.07143	0.6
112.07570	0.6
114.05508	1.1
119.08556	0.7
120.08083	69.0
121.06517	0.5
121.08425	0.9
121.10118	0.8
123.11678	0.6
124.07571	0.5
129.10188	0.6
131.04936	1.0
131.08505	0.7
132.10123	0.6
133.06483	0.8
133.10104	1.1
134.02708	0.5
136.07498	0.6
137.05937	2.2
138.05467	0.6
143.11771	90.3
144.12103	1.3
145.10065	1.1
149.05881	0.8
151.07451	0.7
159.08047	0.9
161.05960	0.8
161.09659	0.6
166.08612	40.2
167.08879	0.6
171.11247	28.0
172.11543	0.6
176.86281	0.6
177.10219	5.5
205.09692	2.7
257.21964	0.5
274.13324	0.5
279.16943	1.6
292.13757	0.8
336.05609	1.2
336.12628	0.9
336.26489	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2573
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
52.37472	1.5
55.05501	17.0
57.03432	13.7
57.07072	3.9
65.03917	2.8
67.05492	67.4
69.07047	13.5
70.45437	1.5
71.54869	2.6
79.05482	26.8
81.07042	58.2
83.04987	2.1
83.08604	6.3
89.05943	1.8
91.05461	13.9
93.07027	35.1
94.67980	1.7
95.04969	1.9
95.08592	53.9
97.06509	3.0
97.10133	2.7
105.07001	7.4
107.08572	18.2
109.06449	2.0
109.10128	19.9
117.07016	2.5
119.08586	8.1
121.10106	13.9
123.11697	8.3
125.94951	1.8
130.68336	1.7
131.08525	6.8
133.10123	7.9
135.11674	10.8
137.13222	3.0
145.10112	5.3
147.11655	5.8
149.13243	6.0
151.09587	1.9
159.11649	3.7
161.13254	1.9
163.14839	3.2
173.13246	2.9
187.14783	2.2
207.95964	1.9
232.93306	2.0
243.21010	2.1
261.22037	5.5
335.25754	100.0
336.26236	4.1
336.32532	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00330	0.5
55.01868	1.0
55.05526	1.6
56.05043	0.7
56.05847	0.4
59.04490	0.4
60.04530	0.5
64.75350	0.5
68.10798	0.5
69.03447	0.6
69.07072	1.6
70.06590	3.4
71.04998	0.7
72.08146	5.4
74.02434	9.8
74.06097	0.6
79.05495	1.3
81.03465	0.5
81.07047	0.8
82.06580	0.8
83.04987	0.6
83.08584	0.6
84.04508	1.2
84.08126	6.4
84.08542	0.5
85.02914	1.1
86.09705	2.3
88.02217	1.1
88.03979	16.8
91.05473	2.4
93.07071	1.4
95.04942	0.5
95.06038	0.6
95.08612	1.2
96.04504	0.8
100.07606	0.8
101.02329	0.6
103.05451	1.1
105.07038	2.7
107.04951	0.9
107.08562	1.1
110.07176	1.1
111.08046	1.0
115.05435	13.7
116.03442	6.3
116.07103	1.2
116.07995	0.4
117.06991	3.2
118.04126	0.6
119.08553	2.4
120.08086	12.2
121.06549	0.7
122.02722	0.8
122.05991	0.7
128.38013	0.5
129.07025	0.8
129.10229	4.0
130.04999	0.5
130.08632	0.5
131.04959	1.4
132.05719	1.4
133.06490	2.2
133.10069	0.8
134.04468	39.1
136.07584	1.6
137.05942	0.6
139.07527	0.5
143.04906	13.1
143.05980	1.1
144.05690	3.7
145.06454	1.7
146.03606	17.7
147.04247	0.7
147.08031	1.9
151.03897	0.6
156.10185	1.4
157.08586	3.5
158.06044	0.8
160.05182	25.5
161.05957	100.0
162.06339	2.7
163.03885	0.8
167.07094	0.6
171.04376	1.6
174.11238	1.4
175.07518	79.2
176.07855	1.5
177.05434	1.1
177.09116	1.4
179.10670	0.6
188.04639	0.9
197.06027	0.7
197.07962	0.8
197.11661	0.5
203.06995	30.5
204.07236	2.0
205.10001	0.6
217.04933	0.6
218.05298	2.1
219.14815	1.6
221.08023	3.6
229.08620	1.7
230.05238	1.2
230.08084	1.6
234.12376	0.6
247.14279	0.7
272.08865	3.1
276.05701	1.5
290.07297	0.7
290.10114	3.1
301.11597	0.8
318.09760	1.6
320.61038	0.5
336.10822	12.0
336.14697	0.8
336.22784	0.6
337.10840	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2574
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03926	2.7
55.05505	13.1
57.03426	12.5
57.07050	1.8
60.82437	1.1
65.03928	1.5
67.05495	55.3
69.07059	11.6
75.67307	1.0
78.27226	1.2
79.05478	24.3
81.07042	52.4
81.07522	2.5
83.04958	2.2
83.08602	5.1
85.06528	1.3
91.05456	12.6
92.64310	1.1
93.07034	30.5
95.04948	1.5
95.08589	40.8
97.06506	1.9
97.10140	2.0
105.07020	6.9
107.08574	15.1
109.09464	1.7
109.10148	17.7
117.07003	3.0
119.07801	1.2
119.08538	7.2
121.10129	13.4
123.11681	4.2
124.09679	1.0
131.08473	3.6
133.10121	5.5
135.11681	7.9
137.09523	1.3
137.13252	1.6
145.10063	2.7
147.11652	3.9
149.13225	4.1
159.11647	3.5
161.13226	3.7
163.14806	2.8
173.13210	3.7
175.14857	2.3
187.14714	1.7
229.23552	1.4
243.21031	1.4
249.29507	1.2
261.22089	6.3
335.25748	100.0
336.26163	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	335.2572
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03923	2.5
55.01845	0.8
55.05503	13.9
57.03152	0.9
57.03423	16.2
57.07065	4.5
65.03912	2.3
67.05492	60.7
68.05828	0.6
69.03397	0.7
69.07056	15.2
70.09120	1.2
70.09532	2.2
71.04959	1.7
71.08608	2.7
77.03937	0.7
79.05478	29.9
81.07041	56.3
83.04980	1.3
83.08614	5.9
85.06535	1.2
85.10157	0.9
91.05466	13.4
93.07024	35.5
95.04947	3.5
95.08590	46.0
97.02861	1.8
97.06493	1.7
97.10136	2.4
98.98464	0.8
99.90176	0.5
105.07008	10.0
107.08572	18.4
109.06517	1.3
109.09366	1.0
109.10133	19.7
111.08002	0.7
117.07004	2.8
119.08557	7.4
121.10126	12.6
123.08036	0.9
123.11682	7.0
131.08540	6.2
133.10110	5.4
135.11665	7.5
137.09595	0.9
137.13206	2.7
145.10104	3.5
147.11626	4.3
149.13220	4.1
159.11639	3.2
161.13243	2.8
163.14803	1.9
173.13219	2.8
175.14731	1.0
187.14766	1.5
234.24817	0.7
239.23618	0.8
243.21005	2.2
261.22046	4.9
279.22958	0.7
317.24796	1.1
335.25739	100.0
336.26294	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99387	0.4
57.03453	0.3
57.07060	1.4
58.51231	0.4
59.49722	0.4
61.02905	0.5
69.03417	0.5
70.06579	2.5
71.05070	1.0
71.06905	0.8
73.02901	2.4
74.32401	0.4
80.79133	0.3
81.03434	0.4
82.26361	0.3
84.04483	2.1
84.08121	0.5
86.09692	40.0
87.10017	0.6
88.07616	0.9
90.03571	0.3
91.05460	0.5
93.07017	0.6
95.08632	0.4
103.05439	2.3
120.08083	100.0
121.06487	4.6
121.08412	1.5
125.26405	0.4
126.05488	3.0
128.10698	15.0
131.04903	1.4
132.10181	0.8
133.10533	0.8
138.05507	2.8
144.06584	0.5
146.11690	1.1
147.12102	0.5
156.10165	4.0
163.07535	2.9
168.06593	1.0
180.10164	63.1
181.10570	0.5
185.20885	0.6
186.07545	0.8
204.08548	1.8
204.79216	0.4
210.35313	0.4
228.23166	0.5
229.23514	2.2
236.89905	0.4
240.04973	0.5
272.25800	0.9
273.26111	7.2
335.29770	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	335.2574
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03929	1.3
53.48566	0.5
55.01859	0.7
55.05505	14.0
56.79825	0.5
57.03154	1.0
57.03431	17.2
57.07063	1.3
65.03932	2.2
66.58821	0.5
67.05496	58.5
68.05830	1.1
69.07062	12.8
71.04973	1.5
71.17780	1.1
79.05485	29.5
81.07047	53.4
82.07361	0.7
83.04948	0.7
83.08604	5.4
84.33713	0.5
85.06534	1.1
91.05471	13.7
93.07033	33.5
95.04979	2.3
95.08595	43.5
95.57748	0.5
96.08905	0.7
97.06516	1.7
97.10162	2.6
105.06321	0.6
105.07015	9.1
107.08580	17.2
109.06491	1.0
109.10142	17.3
110.10537	0.8
110.28291	0.5
111.08096	0.7
113.09663	0.7
116.63587	0.5
117.06983	2.9
119.08572	6.7
121.10135	13.1
123.08046	1.8
123.11697	5.6
129.05455	0.7
131.08537	5.6
133.10115	6.2
135.11674	8.8
137.09639	0.8
137.13210	2.0
145.10080	4.3
147.11696	4.2
149.09607	0.8
149.13271	5.0
151.11151	0.7
159.11694	3.9
161.13240	3.6
163.11163	0.7
163.14790	2.1
171.11713	0.7
173.13205	3.5
175.14836	0.9
177.12585	0.6
177.16357	0.8
185.13213	0.6
187.14815	1.6
201.16412	0.7
215.17966	0.6
233.22205	0.5
243.21002	3.4
256.03494	0.5
261.22046	6.1
279.23297	0.7
317.24780	3.2
335.25754	100.0
336.26028	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	335.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.5
55.02555	0.4
55.05499	0.8
56.59569	0.4
65.03933	0.5
67.05492	6.0
69.03397	0.4
69.07053	1.1
70.01713	2.2
70.06541	0.8
71.04958	0.7
72.08159	0.6
73.60284	0.4
79.05472	1.2
81.03387	0.7
81.07036	1.9
84.08163	0.7
86.09659	0.4
91.05455	1.7
93.06485	0.4
93.06998	2.4
94.06546	4.6
95.04939	1.1
95.08576	1.4
97.06473	1.0
99.04407	0.7
100.11221	0.4
105.07014	1.0
107.08562	1.5
108.08121	0.8
109.02878	0.9
109.06479	0.5
109.10120	1.3
117.07021	0.6
119.08535	1.2
120.08102	0.8
121.06472	0.5
121.10124	1.5
122.06004	17.4
123.06411	0.4
124.07516	0.5
126.05514	0.9
131.08574	0.7
133.10213	0.4
135.08014	0.7
136.07547	54.6
137.05928	0.6
137.07903	0.7
137.09590	1.1
138.05440	1.0
140.07008	2.3
145.10083	0.8
147.11603	0.7
149.09636	0.5
153.09027	0.5
154.04950	0.6
157.10022	0.5
159.11653	0.7
161.09627	0.7
162.05359	0.6
164.07033	100.0
165.07390	3.0
168.06630	0.5
178.04971	0.6
182.08093	83.4
183.08473	2.5
229.09845	0.6
243.11336	1.0
245.09050	1.3
271.10602	0.9
287.10443	0.5
299.09906	0.5
299.19888	0.4
317.11047	0.7
317.21259	0.6
335.08548	1.0
335.12354	1.4
335.22043	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	335.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.2
61.58253	0.5
67.05495	5.2
69.03410	1.0
69.07058	1.1
70.06582	1.8
71.08928	0.9
72.08144	1.4
79.05476	1.5
81.07043	2.2
83.04955	1.8
84.04486	0.7
84.08128	10.6
86.09699	1.2
88.02203	0.5
91.05460	1.6
93.07021	3.3
94.06565	3.9
95.04943	0.7
95.08604	1.9
98.38812	0.5
101.04222	3.4
105.07011	2.1
107.08585	1.5
109.06512	0.6
109.10143	1.0
110.07124	0.6
119.08573	1.7
121.06542	0.7
121.10134	1.9
122.06002	11.9
123.08093	0.7
123.17246	0.5
124.07565	7.4
125.09625	0.6
126.05492	0.8
127.05796	1.0
129.04027	0.6
130.06543	1.3
130.08618	1.5
131.08522	0.8
133.10080	1.3
135.08069	0.8
135.11761	0.7
136.07555	57.9
137.05931	2.1
137.07910	2.5
140.07039	2.2
143.08539	0.8
145.10118	1.0
146.05968	1.0
147.11469	0.5
151.06314	1.1
152.07039	1.0
157.04079	0.6
157.10051	1.0
161.04544	3.4
161.09619	0.7
164.07036	100.0
165.07419	3.9
165.08717	0.6
166.08553	0.5
171.02945	0.7
175.11203	0.5
179.05656	0.6
182.08098	82.8
183.08513	2.9
183.09915	0.6
189.03995	5.9
198.49702	0.5
203.06818	0.6
203.14345	0.6
272.11392	2.3
273.03766	0.5
275.13858	1.2
303.13419	3.1
317.21155	1.0
335.14584	8.2
335.22415	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	335.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.6
55.05497	3.9
57.03416	1.1
61.02931	1.2
65.03920	2.3
67.05498	8.1
68.05045	1.0
69.03416	3.1
69.07058	100.0
69.61197	6.9
70.06574	2.8
71.04979	3.0
72.08134	1.5
73.02929	1.1
79.05472	3.9
81.03408	3.3
81.07040	16.1
82.06557	1.4
83.04948	2.9
83.08622	1.2
84.04488	1.8
84.08135	2.1
85.02887	1.5
86.09697	2.8
91.05482	5.2
92.05000	2.1
93.05804	1.0
93.07017	7.5
94.06548	4.1
95.04947	6.1
95.08573	9.6
97.06518	19.2
97.10144	2.3
102.69331	1.0
105.07014	6.6
107.04939	2.1
107.08574	5.7
108.04446	1.1
109.02873	4.6
109.06490	3.4
109.10153	6.6
110.06037	0.9
110.07144	1.1
111.04419	2.2
111.08057	1.7
113.05994	1.3
117.07014	2.1
119.04968	1.5
119.08572	4.5
120.04430	1.3
120.08089	2.0
121.06499	3.3
121.10119	5.0
122.06024	7.1
123.08035	2.4
123.11686	2.5
124.07578	3.6
125.05952	2.8
126.05473	1.0
129.06960	1.8
130.06497	1.4
131.04890	2.4
131.08582	3.3
132.08102	1.4
133.10139	5.4
134.02606	1.0
135.08049	3.9
135.11696	3.4
136.07602	1.2
137.05971	5.8
137.09595	3.1
137.13213	1.0
138.05484	5.8
140.07045	8.2
143.08603	2.0
144.08037	2.4
145.06473	1.5
145.08871	2.4
145.10117	4.2
146.09634	2.8
147.04404	1.9
147.11682	2.4
148.03920	2.0
149.09619	2.7
149.13246	1.7
150.05475	82.9
151.05899	0.9
151.07550	1.3
151.11128	3.0
153.09021	1.1
155.08525	1.4
157.08806	2.8
157.10066	1.6
158.09650	1.0
159.08076	2.3
159.11691	4.1
161.08344	3.1
161.09601	2.5
161.13237	1.2
162.09132	2.8
163.11130	1.7
164.03474	1.6
164.07060	1.6
165.05501	1.3
165.09091	1.7
166.04984	27.4
167.07100	2.1
172.11246	5.2
173.08298	2.2
173.09654	2.0
173.13272	1.9
174.09125	2.4
174.12764	7.7
175.11049	1.5
175.14807	1.1
176.03407	7.9
178.04967	3.9
179.10699	1.3
181.08667	1.3
183.11705	1.4
186.07628	1.8
186.09100	1.2
188.10667	1.4
190.12265	3.8
194.04491	3.8
194.12617	1.1
200.10692	7.3
202.12195	7.2
216.10191	3.8
218.08287	1.6
218.11723	27.5
226.08575	1.4
228.10161	16.4
229.10574	1.2
229.13295	1.3
234.11287	3.1
243.11266	1.5
244.09659	3.0
245.12866	1.5
246.11223	26.7
256.09753	1.9
257.09036	1.8
261.12338	1.3
262.10760	1.3
271.10626	4.9
271.20471	1.9
272.09149	3.7
273.12253	3.4
274.10709	3.1
287.10309	7.8
289.11725	11.2
289.14526	1.5
290.10153	1.4
291.13556	1.3
299.10342	5.2
299.13138	1.2
299.20087	1.5
317.11304	34.5
317.21100	3.8
335.12350	34.9
335.22128	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	335.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97467	0.5
53.03923	1.2
55.01859	1.5
55.05258	0.8
55.05502	9.5
56.05033	1.4
56.05833	0.6
57.03407	0.8
57.07051	0.9
60.04499	0.6
65.03942	0.8
67.05500	1.8
69.03423	1.2
69.07054	1.9
70.02948	0.5
70.06577	7.5
70.22150	2.4
71.04977	0.7
71.06905	0.5
72.08141	10.0
72.13195	0.5
73.02902	1.9
74.06068	0.6
79.05468	2.3
80.05007	0.8
81.03418	0.9
81.07037	2.1
82.02916	0.5
83.01327	0.8
83.04964	1.1
83.06090	3.2
83.08601	12.8
84.04499	2.2
84.06491	0.7
84.08129	5.8
84.08936	1.6
85.02879	1.6
86.09696	4.7
88.04004	1.0
91.05459	3.1
93.07019	4.2
94.06541	1.2
95.01289	1.5
95.04930	2.6
95.08595	1.4
96.04482	1.4
97.02868	1.1
97.06511	0.9
98.06022	1.0
98.98467	1.0
100.07616	0.6
101.02355	2.0
101.09646	1.2
103.05483	0.6
104.07775	0.7
105.06989	1.6
106.06534	0.5
106.99648	0.6
107.04926	2.2
107.08561	1.7
108.04460	1.9
109.02830	0.7
109.10104	1.4
109.72414	0.5
110.06007	1.1
110.07154	2.1
112.11267	0.8
115.05416	1.4
116.07082	1.4
118.06536	1.9
119.03389	1.0
119.04934	1.6
119.08562	2.4
120.04427	1.0
120.08076	2.1
121.06546	0.6
121.10112	3.4
122.02748	0.6
122.06016	4.4
123.00757	6.1
123.04379	1.1
124.03920	1.2
124.07570	1.6
125.02327	0.8
125.09615	0.8
128.06187	0.8
129.06532	5.4
129.10204	1.8
129.17935	0.6
130.06561	1.0
131.04851	0.6
131.07256	0.9
131.08566	1.1
132.08089	1.5
133.06433	0.6
134.05969	0.7
135.04489	0.7
136.03944	1.6
136.07555	5.5
137.05923	0.9
138.05418	1.1
140.07043	0.9
141.01791	1.7
143.08524	0.9
144.08095	2.2
145.08803	0.6
145.10077	0.8
146.05965	4.4
146.08394	0.6
146.09587	1.4
147.03165	0.8
147.04381	6.3
147.09123	0.8
148.03842	1.4
148.07506	1.0
150.05467	0.7
152.07037	1.4
152.08191	0.8
153.05411	0.7
153.06816	0.7
155.07236	1.8
155.08478	0.9
156.08044	1.9
157.06447	0.7
157.08821	1.6
158.08360	1.5
158.09634	2.3
159.08055	0.8
160.07535	3.1
161.05908	1.5
162.05472	1.0
162.09178	1.2
164.06981	3.2
165.05437	0.7
166.04999	0.8
168.08076	0.8
169.01291	6.4
170.05957	1.2
170.09567	3.8
172.07539	7.6
172.09923	1.5
172.11183	1.4
173.07118	1.1
173.10718	2.9
174.07828	1.7
174.09152	3.1
175.08667	4.0
177.05417	1.1
180.08081	0.9
182.08209	1.6
183.06683	1.0
183.09187	0.7
184.07561	9.9
185.08342	1.0
186.07779	1.2
186.09160	6.3
187.08643	2.0
187.12234	5.6
188.07063	5.6
188.09265	1.0
188.10793	1.5
189.07518	2.0
189.10143	4.1
194.04420	0.7
196.07545	1.2
197.10776	1.3
198.09108	11.4
199.08569	3.4
200.07057	10.3
200.09387	5.1
200.10789	1.6
201.06464	1.0
201.10188	10.9
202.08633	1.3
207.08412	1.5
210.08762	0.9
211.06363	0.5
211.08644	3.4
212.07104	3.3
212.08989	0.9
213.06551	2.3
213.10187	1.6
214.07143	2.6
214.08647	3.4
214.10838	1.1
215.08154	2.4
215.11743	15.3
216.08812	1.5
217.09686	7.2
225.10243	2.6
226.08641	4.3
227.08113	7.7
227.11754	1.0
228.06514	2.3
228.08705	1.9
228.10539	1.3
229.09669	28.5
230.08151	1.0
230.10156	1.0
231.11232	0.9
239.08148	2.7
241.09766	2.4
242.08066	1.3
242.10464	4.1
243.11256	34.7
244.11748	0.7
245.09174	30.0
246.09419	0.7
253.09698	7.1
254.08144	1.7
257.09186	13.3
258.09970	2.4
259.10715	6.6
260.09189	0.7
261.12457	1.3
270.09915	0.7
271.10709	100.0
272.11179	3.2
273.12289	4.2
275.10153	0.8
277.11829	0.7
281.09186	13.4
286.09537	1.0
287.10199	25.6
288.10773	2.8
289.11761	16.5
299.10190	32.7
300.10629	0.9
305.11295	12.9
307.12970	0.9
308.14935	0.8
317.11246	38.8
317.14743	1.5
318.11652	0.8
335.12375	18.0
335.15500	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	334.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34365	0.5
53.03937	1.1
55.01841	0.7
55.05500	4.6
56.05005	0.9
57.03417	2.2
61.02907	2.4
67.05484	1.5
69.03419	5.9
69.07026	0.9
70.06577	2.6
70.64606	1.4
71.04972	2.3
72.08126	2.2
73.02908	0.8
74.06063	0.7
79.05461	2.3
81.03387	2.6
81.07044	13.1
82.06548	0.8
83.08595	5.5
84.04487	1.0
84.08139	4.1
85.02895	15.0
85.06504	2.9
86.09676	1.7
87.04425	0.9
91.03941	1.3
91.05444	1.8
93.07023	0.7
95.04932	1.8
95.08590	1.3
97.02885	5.0
97.06495	0.9
98.06035	1.8
98.09669	2.9
98.98429	1.1
99.04430	1.8
99.08053	1.3
107.04955	0.9
108.08104	3.3
109.02867	2.1
109.06503	14.1
110.05980	1.0
110.07175	0.8
111.08064	1.1
119.04951	1.5
120.08079	1.1
122.02727	0.9
123.04438	1.0
123.05595	0.7
123.08021	0.8
124.07558	1.2
125.09577	0.7
126.05583	0.6
126.09135	42.1
127.03880	3.3
127.07537	15.2
127.09477	1.6
128.07018	0.7
129.10201	0.7
130.08626	1.1
135.08000	0.6
136.07535	1.0
137.05980	2.1
138.09093	0.7
145.04921	1.9
147.04399	2.8
149.05997	0.9
149.09601	0.7
151.07545	1.3
153.05403	0.6
154.08607	54.3
155.07014	26.4
155.08942	1.5
156.07425	0.6
161.06050	0.8
167.07040	1.1
172.09662	100.0
173.10045	2.4
179.07065	3.2
181.08600	0.9
188.07106	1.1
195.10059	1.3
198.07463	0.9
209.07938	0.7
223.09703	1.3
243.11177	0.6
251.39432	0.7
271.10767	1.0
299.11191	1.2
314.06650	0.6
316.10016	0.8
316.13620	1.2
317.11066	1.6
334.14780	1.0
335.12183	1.8
335.16299	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.9
55.01851	1.2
55.05507	7.0
56.05023	0.9
57.03410	1.5
57.68541	0.6
61.02901	2.0
62.63707	0.6
67.05482	1.5
69.03417	7.6
69.07050	1.8
70.06211	0.6
70.06577	2.7
70.12722	2.9
71.04974	2.3
71.06908	0.6
72.08131	2.8
73.02887	1.5
74.06062	1.5
79.05483	3.2
81.03415	3.1
81.07043	14.0
82.07369	0.8
83.04942	1.2
83.08598	5.3
84.04485	1.2
84.08120	2.4
85.02894	13.3
85.06535	3.7
85.16634	0.6
86.09676	2.6
87.04436	1.1
91.03925	0.7
91.05453	2.0
93.07043	1.4
95.04951	1.3
95.08597	1.0
96.04475	0.7
97.02872	5.3
97.06494	1.3
98.06061	1.8
98.09702	3.2
98.98447	1.0
99.04408	1.6
99.08105	1.5
104.49101	0.6
105.06992	0.8
107.04947	0.8
107.08593	1.2
108.08099	3.9
109.02869	1.5
109.06499	15.0
110.07101	0.8
111.08059	1.5
112.07569	0.9
116.84115	0.5
119.04957	1.3
120.08050	0.8
121.06481	0.9
123.04366	0.8
124.07523	0.8
125.09605	1.7
126.09139	42.0
127.03948	2.9
127.07534	14.1
127.09486	0.8
128.07056	0.7
130.04970	0.6
130.08592	2.5
136.07524	1.5
137.05956	2.7
140.07034	1.5
145.04926	1.8
147.04373	3.7
149.05922	1.1
153.05365	0.7
154.08606	60.1
155.07010	31.0
155.08981	1.4
157.07651	0.9
166.08540	0.7
167.07047	2.8
168.06493	0.9
172.09662	100.0
173.05878	0.8
173.09819	1.2
179.07030	2.3
195.10161	0.8
203.10286	0.8
232.06743	0.7
241.89719	0.6
271.10904	1.1
271.75403	0.6
273.08429	0.7
282.09616	1.1
283.03760	0.6
287.10147	1.2
289.11908	0.9
299.10736	1.0
316.13660	0.7
317.11465	2.9
318.21329	0.8
334.14722	2.1
334.20145	0.7
335.12308	2.4
335.15930	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.3
55.61054	0.3
56.10993	0.3
57.07072	1.6
67.05481	0.6
69.07059	0.7
71.08597	0.3
73.99412	0.3
81.07040	1.0
83.04961	0.3
84.08139	0.4
91.05473	0.7
92.53561	0.3
93.07029	0.7
95.08566	0.6
98.98457	5.1
100.98885	0.4
105.06990	1.2
107.08585	0.5
109.10131	0.4
116.98586	0.3
119.07502	0.4
119.08545	0.7
123.05547	0.7
133.10104	0.9
135.11665	0.6
136.06158	0.7
145.10078	0.4
149.02277	0.5
161.13232	0.3
173.13298	0.4
176.98831	0.5
188.04683	1.1
193.04955	1.4
203.06992	3.8
210.64070	1.2
224.65672	0.9
225.15712	0.5
231.06444	3.0
241.19476	0.5
249.07657	1.2
258.11758	0.3
263.12466	0.3
282.35217	0.3
333.20309	100.0
334.20572	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	333.2992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.6
57.03429	1.8
57.07066	100.0
58.07400	1.2
59.04992	31.3
60.20871	0.5
69.07054	1.9
71.08621	70.1
72.04517	0.8
72.08939	0.9
83.08610	1.8
85.10168	58.7
86.10484	0.6
89.06016	2.2
97.10159	1.4
98.20716	1.2
98.98454	1.7
99.11715	9.7
103.07570	2.0
113.13270	2.9
117.09113	6.5
121.07764	0.5
121.08569	0.8
151.09624	2.0
155.17931	2.6
165.12737	1.1
169.69791	0.6
203.07010	1.2
213.22089	1.7
229.72417	0.5
231.06491	1.4
236.20036	0.7
236.68866	0.5
271.26276	0.8
296.57089	0.5
334.27277	0.9
344.76053	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	1.8
57.03410	2.6
57.07068	100.0
58.07404	1.3
58.13227	0.8
59.04993	62.7
66.98153	0.8
67.05492	1.5
68.17188	0.8
69.07054	4.1
69.55020	5.4
71.08620	90.6
72.04483	2.9
75.93974	0.8
77.06011	0.9
81.07034	1.6
83.05042	0.9
83.08591	3.3
85.10171	81.7
85.88844	0.9
86.10465	1.0
87.08086	1.7
89.06017	15.9
91.05457	1.0
92.73119	0.8
93.07015	1.4
95.08597	1.8
97.10142	1.1
98.98451	4.6
99.11718	8.4
101.84139	1.0
103.07572	4.4
109.10097	0.8
117.09116	11.9
133.08601	1.5
141.16365	3.6
147.11598	0.9
151.08788	0.8
151.09673	9.1
165.12738	3.3
176.98920	1.0
181.16737	0.8
188.04704	1.8
189.93988	0.9
199.20584	2.8
203.06976	3.1
210.73708	1.0
217.08064	1.0
231.06537	2.6
257.24719	1.8
334.27328	2.1
347.25720	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07074	3.1
67.05491	1.2
69.07051	0.8
69.31327	6.4
70.06583	0.7
78.29356	0.6
79.05476	0.7
79.73518	0.7
81.07024	1.5
83.04976	0.8
84.08123	0.8
87.32567	0.7
88.07637	0.7
91.05463	1.0
93.07030	1.5
95.08590	1.4
98.98457	17.9
100.98834	1.1
105.07035	1.6
107.08576	0.7
109.10110	0.6
117.07018	0.6
119.08543	1.2
121.10113	0.9
123.05556	1.3
131.08574	0.8
133.10083	0.9
136.06175	0.9
149.02298	1.0
156.46573	0.6
166.07913	0.6
176.98889	2.7
185.05896	0.9
185.29002	0.7
188.04634	2.9
193.04930	2.0
195.09813	1.0
201.58127	0.6
203.07021	6.2
231.06482	5.6
249.07532	1.9
254.99078	0.8
292.22882	0.8
328.96442	0.6
333.20319	100.0
333.25085	3.2
333.31668	1.5
333.76053	1.7
334.20572	3.6
334.24017	1.3
352.83304	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.19
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
51.72161	1.3
52.53513	1.5
53.03933	3.8
55.01850	6.3
55.05506	6.6
57.03424	8.2
57.07061	17.6
59.04996	11.8
60.04516	7.6
61.02915	11.0
65.03921	1.8
67.05489	14.2
69.03414	31.0
69.07053	18.7
70.03107	2.6
70.03501	3.2
70.06573	7.9
70.57509	1.2
70.87456	1.2
71.04974	8.5
72.08124	7.1
73.02890	5.9
76.02217	1.8
77.22320	1.6
79.05463	6.1
81.03397	13.6
81.07040	10.8
82.87766	1.4
83.04953	3.8
83.08601	4.3
84.04459	4.2
84.08123	4.1
85.02888	82.3
85.06528	17.7
85.10146	1.7
86.03184	1.9
86.09685	20.0
87.04435	5.6
87.05577	2.4
87.10030	8.3
91.03914	4.0
91.05445	6.3
93.07028	11.5
94.06534	2.3
94.15784	1.4
95.04967	7.4
95.08585	63.6
96.31874	1.5
97.02865	28.6
97.06486	8.4
97.10155	1.9
98.05984	1.8
98.98441	16.4
99.04427	8.4
99.08071	16.9
100.07549	1.6
100.98862	1.5
103.05459	1.7
105.03398	2.7
105.06998	4.5
107.04939	4.1
107.08562	14.3
108.05305	1.9
108.08862	1.4
109.02859	12.1
109.06490	13.4
109.10133	21.5
110.07153	3.3
111.04427	2.6
111.08055	9.5
111.11703	1.9
113.09618	80.5
114.05467	1.4
115.03828	1.4
119.04900	1.7
119.08560	3.4
120.08082	4.4
121.06477	4.4
121.10093	2.3
122.03619	5.3
122.06017	1.8
123.04411	5.8
123.05533	2.4
123.08027	1.5
124.05161	2.5
124.07555	2.9
125.09594	2.6
127.03888	21.3
127.11157	48.1
128.10651	2.3
129.06967	2.2
129.09160	1.5
129.10190	3.2
129.11047	2.2
131.04861	1.7
131.08527	2.3
132.08022	1.5
132.10179	1.9
133.04910	1.8
133.10133	2.2
135.08028	2.4
135.11655	19.4
136.06197	2.4
137.05945	56.0
137.09569	1.5
137.13222	4.2
138.06297	3.0
139.03891	1.8
140.07014	4.8
145.04932	18.4
145.10109	1.7
146.05980	2.7
147.04384	4.2
147.08037	1.6
149.05963	2.9
149.09689	1.8
150.05460	1.7
150.09122	1.9
151.07452	3.6
152.06941	7.5
153.05447	4.0
153.12709	100.0
154.13054	2.7
155.14275	16.1
161.05963	2.3
163.06116	2.1
163.07501	2.5
164.07124	2.2
165.06900	2.2
167.07001	57.8
168.07382	1.9
171.13766	68.9
173.12837	11.3
174.13171	12.5
175.07451	2.2
176.98824	2.8
177.12704	1.9
188.04626	2.9
188.07030	4.4
189.08983	1.7
191.03369	2.3
195.13765	2.1
201.12317	3.7
202.12634	4.2
203.06973	10.8
211.07498	2.2
213.14775	4.0
217.09715	2.0
231.06393	9.4
235.10919	1.7
249.07462	3.3
259.67392	1.7
273.07449	3.3
279.15933	2.0
288.09763	8.0
301.11694	7.1
303.12143	4.2
315.12912	2.2
333.05875	3.1
333.09772	19.1
333.14096	7.2
333.18628	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	333.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.7
55.01871	1.1
55.05490	1.3
59.27483	0.7
65.03895	0.6
67.05495	3.2
69.07050	0.9
78.04714	0.6
79.05470	2.4
81.03403	0.6
81.07034	2.8
83.04958	1.1
85.02924	0.7
85.06543	1.2
91.05464	2.0
91.36615	0.6
92.04980	1.3
93.07018	1.4
94.06561	0.9
95.04923	1.0
95.08589	1.5
98.21487	1.2
98.98455	6.3
105.07020	1.8
106.36007	0.6
107.04932	0.7
107.08629	0.7
109.02838	1.8
109.06528	0.7
109.10136	1.0
110.06010	0.8
110.07154	0.7
111.04379	0.7
119.04893	2.0
119.08580	1.4
120.04478	1.6
121.06550	0.8
121.10136	1.0
122.05994	3.9
123.04472	0.6
123.08043	0.8
123.11686	0.6
124.07592	0.6
127.44719	0.6
133.10136	0.7
136.07539	1.8
137.05940	9.1
137.09457	0.8
143.08502	1.0
147.04384	6.6
148.03917	1.1
154.06471	0.9
155.07185	0.6
155.08511	1.3
156.08055	0.8
161.09659	0.7
162.05446	1.5
165.07019	1.0
166.90662	0.6
167.07062	10.4
167.08459	1.0
168.08006	0.8
169.08820	1.4
169.10126	1.2
170.09616	1.0
176.98868	1.1
182.09616	1.5
184.09891	1.8
184.11243	1.8
185.10742	1.0
187.08669	2.7
188.04723	0.9
196.07475	1.0
197.07030	2.1
197.08504	1.2
198.07639	3.2
198.09372	1.3
198.92743	0.7
199.12296	4.4
200.10670	0.9
203.07033	2.5
209.10791	1.3
210.09102	6.3
211.08754	3.4
212.09387	7.1
212.10847	3.4
213.10121	4.8
221.04314	0.7
225.06488	1.5
226.07190	3.3
226.10939	1.3
227.08131	1.3
227.08681	0.7
227.11765	23.2
231.06497	2.1
237.10158	2.3
238.08551	3.2
239.08083	2.2
240.08833	13.0
241.09674	25.5
249.07642	1.2
254.10478	1.0
255.11246	100.0
256.11682	3.2
257.12866	3.8
273.12350	3.5
283.10754	24.3
288.09909	2.9
301.11783	81.5
302.12143	2.0
313.03555	0.7
315.12994	1.2
333.13495	4.2
333.21378	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	332.1334
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
50.73531	0.3
52.37405	0.4
53.03949	0.7
55.01839	0.4
56.96548	1.2
57.03425	1.7
61.02935	2.1
65.03920	0.9
67.05496	2.5
69.03421	5.8
69.92691	1.0
69.93105	1.1
73.02905	2.7
74.86724	0.3
79.05464	1.2
80.23798	0.3
81.03396	1.5
81.07037	0.6
84.08126	4.5
85.02886	7.5
86.09723	0.3
87.04444	1.7
91.03979	0.4
93.05766	0.4
94.06487	0.4
96.08094	0.5
97.02881	3.7
99.04427	0.8
104.10732	5.0
106.06534	4.3
108.08099	100.0
109.02848	1.4
109.08432	1.4
117.64066	0.3
123.06789	5.3
124.07572	15.4
127.03916	1.7
130.08618	4.9
134.05998	11.8
136.07555	13.4
137.08269	0.8
140.07127	0.3
145.04938	0.6
150.05429	1.0
151.05855	0.4
152.07040	76.7
153.07382	1.4
154.08623	2.0
168.03232	0.4
170.08089	14.2
186.04349	1.0
188.07747	0.4
202.03819	0.8
204.05338	1.1
222.06413	0.4
230.08797	0.5
272.04312	0.4
296.11133	0.5
300.03751	0.9
314.12268	35.0
315.12442	1.4
332.13342	76.5
333.05832	1.8
333.13760	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38571	0.4
55.01856	0.6
55.05500	4.1
56.05027	3.6
57.03433	1.5
57.07057	1.2
58.02977	0.4
60.04515	100.0
67.05491	10.6
69.03413	0.9
69.07054	4.1
69.52114	0.7
69.52514	3.2
70.06593	1.4
71.04990	0.5
72.04492	2.4
73.02905	0.5
74.06050	2.3
79.05486	7.1
80.04996	1.1
81.03408	1.0
81.07041	11.5
82.06581	2.1
83.04962	1.1
84.04515	0.6
84.08121	1.1
85.01119	0.8
86.00620	0.6
86.06048	0.8
86.09692	0.6
90.05546	1.4
91.05462	4.9
93.07018	6.0
94.06555	1.9
95.04971	1.3
95.08595	9.9
96.08142	1.3
97.06504	1.0
97.10176	1.3
98.21516	0.5
98.98449	10.2
105.06990	2.3
107.08571	3.5
108.08118	0.8
109.02885	1.1
109.06527	0.8
109.10130	4.1
110.06061	0.5
110.09652	0.5
112.07612	1.2
116.07050	0.5
116.99505	0.6
117.06944	1.0
119.08574	3.1
120.08090	1.1
121.06491	0.7
121.10122	3.2
122.09679	1.1
123.05573	0.7
123.08029	0.7
123.11703	1.9
124.07591	0.6
125.09633	0.5
131.08566	1.6
133.10123	2.1
135.08017	0.5
135.11674	2.3
136.06178	1.5
137.05949	5.9
137.13257	0.6
145.10117	1.2
147.11690	1.4
149.06075	0.5
149.09598	1.0
149.13217	0.6
159.11681	0.7
165.07097	0.6
167.07002	7.1
176.98898	1.5
185.06100	0.5
188.04730	1.1
203.07048	2.7
212.04283	0.5
213.05496	0.5
218.06642	0.6
231.06503	1.6
231.21005	0.5
241.08319	0.4
248.23589	0.8
249.07553	0.6
260.23715	2.2
262.03802	2.0
266.24670	0.6
278.24731	8.0
283.09564	0.5
288.09869	2.1
296.25793	11.0
314.26828	16.2
315.27158	0.6
332.05109	0.7
332.11966	4.3
332.27890	94.8
333.12527	0.6
333.20724	0.6
333.28180	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	331.2834
Annotation	Monopalmitin
Peak:m/z	Relative Intensity
55.05498	8.6
57.03429	7.9
57.07066	100.0
58.07400	1.1
60.33427	1.1
67.05495	23.7
69.07057	15.3
69.59583	2.1
69.59988	6.3
70.06586	1.6
70.26819	1.2
71.08620	68.9
71.49265	1.1
75.04458	3.8
79.05443	1.3
81.07045	28.7
83.04983	1.4
83.08138	2.0
83.08605	27.3
85.10168	42.6
88.07600	3.2
89.06023	1.5
95.08591	50.6
96.08951	1.1
97.10150	13.6
98.98449	16.0
99.11732	2.4
100.45322	1.1
109.09475	0.8
109.10133	21.9
111.11695	4.0
113.13270	1.4
123.11691	11.9
123.48181	1.0
125.13247	2.6
137.13248	5.9
139.11130	1.1
139.14795	1.5
151.14763	2.6
165.16357	1.8
191.51688	1.1
221.22614	3.0
239.23653	31.4
240.23956	1.2
257.24734	7.9
275.25806	1.2
278.68103	1.3
313.27310	85.9
314.27707	3.1
331.33951	24.2
354.12396	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67701	0.3
53.03938	1.0
54.68150	0.4
57.03407	2.0
61.02915	2.8
64.75101	0.4
65.03928	0.9
67.05486	1.9
69.03418	7.2
70.06580	1.0
71.04960	0.6
71.07935	0.9
72.08130	1.1
73.02894	2.1
78.32148	0.4
79.05479	0.8
79.98634	0.4
81.03397	2.1
81.07039	0.9
82.06565	0.6
84.04500	0.9
84.08134	3.8
85.02885	8.7
86.06024	0.5
86.09697	3.2
87.04429	1.6
91.03952	0.7
91.05455	0.6
92.04946	0.5
93.05788	0.7
96.08114	1.1
97.02867	3.2
98.98458	0.5
99.04414	0.8
104.10727	3.2
106.06530	4.6
108.08093	100.0
109.02847	1.2
109.08408	0.7
110.07132	0.4
119.01847	0.5
122.06061	0.5
123.06783	3.8
124.07569	15.6
125.02343	0.5
127.03888	2.3
130.08601	2.0
131.08974	0.5
134.05984	11.4
136.06502	0.8
136.07544	14.2
138.07019	0.4
145.02824	0.5
145.04886	0.5
146.02682	0.5
146.08049	0.5
150.05565	0.5
152.07031	76.4
153.07359	1.8
154.08607	2.0
157.13301	0.5
161.02817	0.4
170.08083	10.5
177.05505	1.1
186.06113	0.5
188.11229	0.5
212.07715	0.9
230.08755	0.8
257.05719	0.5
314.12265	37.7
315.12521	1.1
321.10321	0.6
332.13327	80.2
332.95609	1.1
333.05621	2.1
333.13580	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	11.3
57.03436	6.6
57.07069	100.0
57.92607	1.1
58.07415	1.3
61.45077	1.1
67.05496	25.1
69.07057	17.3
69.94524	4.9
70.06567	3.9
70.11243	1.0
71.08623	67.7
75.04456	2.9
79.05486	1.9
79.70522	1.0
81.07044	36.6
83.04942	1.6
83.08150	1.6
83.08610	24.7
85.06525	1.3
85.10171	35.5
88.07606	4.4
88.11475	1.0
89.06044	1.4
89.89024	1.0
91.05442	2.4
93.07022	2.3
95.08594	56.9
97.10155	12.6
98.98450	41.4
99.11704	2.6
101.08158	0.9
102.09206	1.2
103.07573	1.2
106.08674	2.4
109.10144	25.9
111.11692	3.2
113.13300	1.1
116.99475	1.4
121.10094	1.2
123.11681	13.4
125.13241	3.9
132.59131	1.1
137.13211	6.7
139.14706	1.7
151.14771	2.7
157.58568	1.2
165.16342	1.3
174.99174	2.4
176.98923	5.4
221.22636	3.2
234.89140	1.2
239.23674	31.9
240.23936	2.0
252.99640	1.5
257.24652	7.0
298.27112	1.3
313.27322	85.8
314.27563	3.1
331.26202	2.9
331.33948	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85246	1.0
55.05501	9.8
57.03433	7.4
57.07065	100.0
58.07381	1.4
61.83759	1.1
67.05490	22.6
69.07054	17.0
69.41053	3.2
69.41476	6.6
70.06552	2.1
71.04975	1.3
71.08617	68.3
75.04462	4.0
79.05441	1.3
81.07040	32.3
83.08607	25.8
85.06528	1.5
85.10168	40.9
86.70288	0.9
89.06019	1.4
93.07013	2.1
95.08588	50.0
97.10150	12.0
98.21473	1.6
98.98447	53.7
99.11723	1.8
100.98833	1.1
103.07562	2.0
109.10133	23.0
110.10526	1.2
111.11679	4.0
123.11684	11.9
125.13261	2.9
137.13234	7.0
139.14734	1.5
141.08379	1.1
151.14807	2.8
165.16423	1.8
174.99203	3.4
176.98883	4.3
201.97520	1.1
216.42694	1.1
221.22583	2.9
239.23637	29.6
252.99586	1.5
257.24652	6.1
269.20840	1.1
298.27243	1.4
313.27301	71.7
314.27649	3.5
331.33929	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	331.2837
Annotation	Monopalmitin
Peak:m/z	Relative Intensity
53.40604	1.3
53.82432	1.2
55.05508	13.8
57.03430	8.4
57.07068	100.0
57.55367	1.1
61.41886	1.2
67.05495	24.4
69.07061	21.9
70.05686	1.2
70.83677	1.3
70.84013	3.2
71.08623	77.2
75.04458	5.2
79.05486	1.8
81.07045	34.8
81.07518	2.6
83.04931	2.0
83.08614	24.8
83.09107	1.8
85.06524	1.8
85.10169	43.8
87.92025	1.4
89.06001	2.9
91.05453	1.2
93.07048	2.0
95.08595	60.3
96.08942	2.0
96.09523	1.4
97.10163	15.6
98.98454	87.4
99.11716	3.7
109.10139	28.5
111.11690	5.9
113.13297	1.6
116.99466	2.5
119.08620	1.2
123.11694	15.7
125.13276	3.2
137.13237	5.5
140.01042	1.3
151.14735	2.2
165.16342	2.3
165.55228	1.4
174.99118	2.8
176.98892	9.0
180.60210	1.3
221.22630	2.7
239.23657	33.3
244.33582	1.5
257.24606	6.7
313.27316	88.4
314.27707	2.7
331.33853	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	331.1533
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
50.28475	0.9
53.03937	1.1
65.03920	1.3
67.05489	1.0
69.59127	4.3
69.59531	1.3
70.06574	0.9
71.04971	0.8
72.08138	1.3
72.66467	0.8
79.05473	2.7
81.07072	1.6
83.04980	1.2
91.05462	26.3
94.04160	2.1
94.64393	0.9
95.04948	5.2
98.20881	1.0
98.98444	15.2
103.05442	5.1
105.07015	3.7
107.04939	8.0
107.08592	1.2
109.06490	5.5
111.04440	1.4
115.05450	1.5
116.06225	0.9
117.07014	2.3
119.04911	15.7
119.08521	1.1
121.06496	5.4
122.03642	6.3
123.04443	1.4
123.08084	1.9
125.06042	0.9
128.06190	4.4
129.06976	15.1
131.04930	5.4
131.08553	1.3
133.06459	3.4
135.04437	1.2
135.08023	5.8
136.05162	2.8
137.05949	73.9
137.29042	0.7
138.06311	1.9
143.04956	1.0
145.06483	3.4
146.03555	1.1
146.07233	1.5
147.04459	0.9
148.05115	1.6
149.05956	12.4
150.06808	1.4
151.03909	3.4
151.07513	100.0
152.06187	3.0
152.07893	2.3
153.06982	1.2
153.09099	1.0
154.07738	1.0
157.06450	10.9
161.05956	11.0
161.09607	3.5
162.06738	1.0
163.03845	1.1
163.07524	23.5
165.06981	9.0
165.09033	3.9
166.07764	1.8
167.07144	1.4
167.08513	15.2
169.06487	1.8
174.06763	7.5
174.99110	1.2
175.07477	4.3
176.98917	1.4
177.05566	0.9
177.06995	2.0
177.09070	2.3
178.07759	3.8
179.08521	1.2
181.05005	1.9
181.06454	3.3
181.08546	1.8
181.10057	1.3
182.07257	3.2
183.08051	1.1
187.07376	1.0
189.09074	37.8
190.09502	1.9
192.09355	1.5
193.06421	7.0
193.10127	7.3
194.07280	2.0
195.08026	24.4
196.05017	0.9
196.08678	1.5
197.05936	5.2
197.09653	1.6
198.06613	1.0
199.07567	1.0
202.07635	1.2
203.08565	2.1
206.07114	1.3
207.04433	0.8
207.08243	2.0
207.10065	7.8
209.05971	2.3
209.09607	3.8
210.06741	7.8
211.07359	3.9
212.08301	5.4
220.08812	1.2
221.05978	7.0
221.09540	9.5
222.06717	1.4
222.10449	1.1
223.07483	10.6
224.08206	4.6
225.05510	1.6
225.09041	10.9
227.07033	3.0
227.10623	28.3
234.06717	1.1
235.07394	1.7
237.05365	1.1
237.09111	3.4
238.06288	5.5
238.09897	2.2
239.06960	2.8
240.07808	2.8
241.08546	1.8
241.12041	1.1
249.09103	6.8
251.06856	0.9
252.07803	1.7
253.08559	13.2
253.12218	11.4
254.09079	0.9
255.10123	28.8
256.10577	1.0
257.07919	0.9
259.13266	1.1
266.09402	1.1
267.10126	6.2
269.08105	3.8
269.11655	2.1
270.08893	1.9
272.10413	3.7
281.11667	6.4
284.10281	1.1
285.11121	17.5
287.12726	56.5
288.13199	1.8
298.11819	1.6
299.12735	1.2
301.14444	2.2
313.10901	1.4
313.14294	16.9
331.11612	3.0
331.15378	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	331.128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.7
55.01846	0.8
55.05482	0.6
56.05011	0.5
58.99559	1.0
65.03905	0.5
67.05486	3.5
67.77805	0.3
68.04990	1.7
69.03403	0.7
69.06735	0.6
69.07058	6.3
69.65498	2.6
70.06566	1.6
72.08123	0.7
74.00652	0.4
76.02203	1.7
79.05480	2.0
80.04982	1.7
81.03378	0.5
81.07050	3.8
83.04984	0.7
83.06059	1.4
84.04463	1.4
84.08099	1.1
86.00629	0.4
86.09678	1.8
86.99010	0.4
87.02660	0.8
87.04441	1.3
88.04770	0.5
89.03882	0.7
91.05464	0.8
92.04872	0.4
93.05743	0.8
93.07030	0.4
94.06551	19.0
95.04939	3.0
95.06893	0.5
95.08578	0.9
96.04404	0.5
97.06503	0.9
98.06023	0.6
98.98448	13.9
104.04953	0.4
108.08062	1.5
109.06429	0.5
110.06014	3.7
112.07602	2.4
116.04929	2.9
117.05678	0.4
118.06521	1.1
120.04414	0.5
120.08063	0.6
122.02658	0.5
122.06006	35.3
123.04391	1.7
123.06329	0.5
124.07575	0.8
129.06560	2.7
130.06493	0.6
132.04439	0.5
134.05966	0.9
137.05934	0.5
140.07037	50.7
141.07901	2.5
142.08577	1.0
144.04422	7.0
146.05981	25.6
147.06656	1.4
147.07861	0.5
148.03906	0.5
148.07547	9.2
150.18059	0.4
153.06641	0.4
153.09073	0.6
154.08562	0.7
156.08401	1.3
157.06766	1.3
158.05898	0.4
162.05463	3.6
167.06876	0.4
169.04913	1.5
172.03905	22.7
173.04245	0.6
174.05473	2.8
174.09447	1.1
174.99187	0.9
175.08400	0.4
176.98830	1.8
190.04955	100.0
191.05309	3.3
192.06509	11.1
192.07867	0.4
193.04941	0.5
193.06778	0.5
193.08508	0.4
210.11298	0.4
224.16339	0.7
233.05899	1.0
242.11644	0.8
265.70123	0.4
267.01669	0.4
277.06897	0.4
278.42862	0.4
285.07663	0.4
286.10672	1.8
287.13730	0.5
313.11819	5.7
314.10803	0.7
331.12909	14.0
331.25861	0.7
332.13138	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.958
Annotation	Tienilic acid
Peak:m/z	Relative Intensity
54.89399	0.6
57.67722	0.6
71.44456	1.2
94.92979	1.0
104.12022	0.6
112.89595	11.9
145.10123	0.6
158.43588	0.6
163.95108	1.8
180.91342	7.8
186.82855	0.8
196.87773	2.6
197.93866	10.4
209.93854	3.2
212.85168	3.3
223.95445	2.9
226.90010	0.6
243.92676	1.6
256.98053	0.9
330.95782	100.0
331.95929	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	0.9
55.01857	3.4
55.05494	2.6
56.05011	2.8
57.03411	2.0
57.07057	1.6
58.23395	1.0
60.04516	1.3
61.02910	1.7
65.03896	0.9
67.01852	1.3
67.05502	2.2
68.99790	1.2
69.03419	2.1
69.07067	4.8
69.51214	5.3
69.51624	1.9
69.98804	0.9
70.06581	10.6
71.08604	0.9
71.18964	0.9
72.08144	8.8
74.06086	1.0
76.02178	1.1
76.35680	0.9
79.05465	3.3
81.03410	2.1
81.07034	4.4
82.06538	1.4
83.04954	3.9
83.06081	1.7
83.08595	1.4
84.04502	5.9
84.08131	7.5
85.02888	13.7
86.09689	11.7
87.10018	1.1
88.02174	1.5
88.03951	1.2
90.05537	1.2
91.05462	4.1
93.07034	2.8
94.06544	3.5
95.04948	4.3
95.08578	2.0
97.02855	3.3
97.06505	1.9
98.20783	1.8
98.98453	100.0
100.07609	2.3
100.98873	2.6
103.03937	2.7
105.03394	1.3
105.06998	3.3
107.04950	1.9
107.08555	2.6
109.02865	4.8
109.06490	2.8
110.06042	1.3
110.07143	1.2
110.09662	1.3
111.08072	1.2
112.07583	1.0
115.05465	1.7
116.07043	1.5
116.97220	1.1
116.99452	3.3
119.04901	2.2
120.08069	1.5
121.02824	2.7
121.06485	1.0
121.10132	1.8
122.06021	8.2
123.04427	8.2
123.07983	1.5
124.07546	2.5
125.06005	4.6
127.03860	2.7
129.10202	2.9
130.06490	1.6
130.12283	1.5
133.02792	1.1
133.06500	2.3
134.05998	1.2
135.04422	1.2
135.08015	1.5
136.07590	1.1
136.11163	3.3
137.05965	7.9
137.09602	1.1
138.09114	4.3
139.03864	3.6
139.07556	0.9
140.07071	9.6
145.06398	2.3
146.05974	6.5
147.04385	6.8
147.07909	1.1
148.07535	2.3
149.05998	1.1
149.09508	1.2
151.03900	13.3
151.07506	2.2
153.09036	1.9
153.12708	1.2
157.07603	1.8
161.05960	5.4
162.05440	1.1
163.03897	10.8
163.07486	1.5
164.10666	11.2
165.05449	9.2
167.07027	11.8
169.04944	15.8
169.08585	11.6
169.12166	1.2
172.03905	5.8
173.05864	1.1
173.12816	1.1
174.05502	1.1
174.99188	7.0
175.03876	5.2
176.98889	12.9
177.05482	1.7
179.06932	1.4
181.04929	33.8
181.06508	2.2
184.08580	0.9
187.03833	2.8
189.05421	6.3
190.04953	22.4
191.03387	4.7
192.06451	3.1
193.04929	49.0
193.08580	1.8
196.14450	1.3
197.05986	1.2
201.05412	1.7
203.07007	1.7
205.04929	5.6
207.02855	2.2
207.06494	13.2
210.11229	17.2
211.05978	39.2
211.09264	1.6
213.05498	2.1
217.04913	4.1
219.06538	1.7
224.04559	1.1
229.04877	8.4
231.06520	3.7
233.04472	1.2
235.05978	42.3
241.04875	3.5
243.06465	1.2
247.05988	45.7
249.07524	1.2
252.99724	2.6
254.99345	1.1
259.05969	19.5
265.06995	6.4
267.00177	1.5
277.07028	13.5
285.07431	1.5
287.13675	1.2
295.08026	9.0
299.09000	1.4
313.24728	4.3
314.10535	1.5
315.44000	1.2
331.12924	5.0
331.18237	0.9
331.25882	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.7
55.01865	1.7
55.05502	11.6
57.03423	4.0
57.07058	3.0
67.05494	23.2
69.07060	11.4
70.03695	1.5
70.04067	21.3
70.06578	1.5
70.44143	3.2
71.04980	2.2
71.08615	2.1
72.08147	1.3
77.89442	0.9
79.05486	12.2
81.03408	2.0
81.06583	1.7
81.07042	25.7
83.04971	8.0
83.08617	7.4
85.06532	1.9
87.04451	6.8
88.07620	0.9
91.05466	6.3
93.07031	13.3
95.04951	2.0
95.08594	13.2
97.06510	2.9
97.10163	3.8
98.21512	0.9
98.98451	100.0
99.08078	1.9
100.98875	2.1
101.06005	2.4
102.09126	1.0
105.07012	6.1
107.08567	5.3
109.06483	2.1
109.10140	12.4
111.08071	2.0
111.11723	1.0
116.99468	3.7
117.07040	0.9
119.08552	6.4
120.08849	0.8
121.10137	5.5
122.10406	0.9
123.08098	1.3
123.11685	3.8
125.09608	2.8
129.06984	1.2
131.08553	2.1
133.10121	3.2
135.11674	2.6
137.09593	2.6
137.13206	1.0
139.11145	6.4
140.01103	1.5
140.14343	1.1
143.08542	1.3
145.10078	1.1
146.53552	0.9
147.11671	3.2
149.13223	2.6
151.11186	0.9
155.10603	5.0
157.10094	1.4
161.13213	2.3
163.14803	1.6
165.12810	1.8
173.11720	15.9
173.13170	1.9
174.99240	6.1
175.11205	1.3
176.98898	8.0
189.11218	2.2
193.12349	2.0
203.07182	0.9
211.13283	4.7
241.19569	1.5
252.99670	1.8
254.99452	1.5
256.26364	1.4
259.20636	1.5
268.30005	2.1
270.27786	0.9
277.21582	14.7
295.22699	9.0
297.09067	0.8
313.08090	1.0
330.29935	8.5
330.33649	6.1
331.13501	1.0
331.18570	1.6
351.49667	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	0.9
55.05499	4.3
57.03416	2.8
57.07059	6.4
58.06588	3.3
67.05491	7.9
69.03440	0.8
69.07047	3.6
69.43977	5.3
70.06580	2.4
71.08612	4.8
72.08141	12.3
79.05470	3.1
81.03387	1.0
81.07033	8.0
83.04986	1.7
83.08616	3.0
85.06493	0.8
85.10152	0.9
87.04440	7.1
88.07624	4.3
91.05463	2.4
93.07027	4.0
95.08600	4.2
97.10155	1.9
98.20805	1.4
98.98447	100.0
99.08047	1.4
99.98898	0.6
100.98856	2.4
101.06011	7.9
102.09133	0.9
105.07042	1.3
107.08585	2.4
109.06506	1.2
109.10127	4.1
111.08001	0.7
116.99473	5.1
117.07034	0.7
119.08559	2.5
121.10107	2.4
123.08031	0.8
123.11671	2.2
125.09532	0.6
131.08495	0.8
133.10127	1.8
135.11673	1.5
140.01077	2.1
145.10075	1.2
147.11693	1.2
149.13211	1.0
151.11180	0.7
153.09085	0.9
153.12602	0.7
155.10616	1.3
156.17439	8.1
161.09596	0.8
161.13228	0.8
170.18999	2.4
173.11758	3.4
174.99174	7.4
175.14857	0.8
175.99554	1.2
176.98898	10.1
189.11238	1.9
189.16336	0.9
192.45830	0.7
203.06931	0.6
211.13234	1.1
229.19533	0.7
240.32828	0.7
252.99817	1.3
254.99423	1.0
256.26346	4.7
259.20663	0.9
268.29947	18.1
270.27899	1.9
273.33792	0.6
277.21637	5.0
285.25687	1.8
295.22626	3.3
303.26843	1.5
330.29956	16.3
330.33664	66.4
331.18637	3.1
331.26260	1.0
331.30038	0.9
331.34009	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	330.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43983	0.3
53.03938	0.9
55.01869	1.9
55.05497	8.1
56.05023	1.1
57.03417	0.7
57.05805	0.9
60.04505	0.6
62.06080	1.5
67.05491	1.6
69.03413	2.1
69.07056	11.1
70.02949	0.9
70.06585	9.3
70.07404	0.6
71.04981	0.8
71.25213	0.6
72.08141	100.0
73.02914	1.1
73.06565	0.5
73.08475	0.7
74.06065	0.6
76.02203	0.4
79.05493	2.4
81.03410	1.3
81.07037	2.6
82.06553	0.8
83.04965	1.8
83.08596	0.6
84.04487	1.8
84.08128	4.3
85.02898	1.6
86.06048	6.6
86.09689	24.0
87.09980	0.4
88.03981	5.8
91.05459	3.3
93.07032	3.3
94.06544	0.6
95.04933	2.0
95.08585	1.4
96.08125	0.7
97.02877	1.2
97.06512	1.4
98.06036	0.7
98.09690	0.6
98.98448	49.6
99.04443	1.3
99.98888	0.5
100.07619	2.7
100.98875	0.8
101.02383	1.8
103.05466	0.8
105.07013	1.8
107.04958	2.0
107.08574	3.7
108.04484	0.7
108.08117	0.8
109.02860	0.6
109.06489	3.2
109.10143	0.7
110.06035	0.5
110.07169	0.8
111.04351	0.3
111.08067	4.5
112.07578	0.6
115.03941	0.3
115.05476	0.5
115.07519	0.5
116.07133	0.6
116.10709	3.3
116.99491	2.3
117.06995	0.7
119.04933	1.3
119.08578	1.0
120.08089	1.6
121.02865	0.8
121.06499	1.0
121.10136	0.9
122.02741	0.5
122.06006	1.1
123.04432	1.7
123.08025	0.7
123.11684	1.5
124.07562	1.4
124.11189	0.4
125.05977	0.5
125.09599	1.0
126.05513	0.7
127.03904	0.8
129.07057	0.5
129.10226	1.0
130.04942	0.6
130.06497	0.8
131.04930	0.8
131.08522	0.7
132.10213	1.9
133.06367	0.5
133.10091	0.4
134.05974	1.1
134.09583	0.7
135.04381	1.0
135.06892	0.5
135.08022	2.8
136.07530	1.0
137.05957	6.1
137.09572	0.9
138.05495	0.7
139.11166	0.5
140.01103	0.6
140.07045	4.2
141.09059	0.6
142.08615	1.0
144.06622	0.4
145.10081	0.5
146.05957	1.3
147.04393	1.2
147.07967	0.7
147.11670	0.4
149.05963	0.7
149.09628	0.8
150.05446	0.5
150.09038	0.5
151.03928	1.8
151.07512	1.8
152.10593	0.6
153.09065	7.7
155.06920	0.4
157.07597	0.5
161.05934	0.8
162.05458	8.9
163.03896	1.1
163.06285	0.8
163.07494	1.7
163.11140	0.5
164.07002	0.9
165.01808	1.0
166.08713	0.4
167.07037	0.9
167.08492	0.7
168.06538	6.6
169.04951	6.5
169.12245	0.4
170.08183	0.5
170.11765	1.8
171.10107	1.2
171.14900	32.1
172.03900	1.1
172.15204	0.6
174.99197	3.1
175.07483	0.5
175.99525	0.9
176.98932	3.8
177.05475	1.2
179.07149	0.5
179.10577	0.4
180.10133	0.6
181.04863	0.7
181.08611	0.8
183.02797	1.1
183.08012	0.9
183.13698	0.7
185.16449	7.7
188.07219	0.4
189.09082	0.7
190.04964	3.7
191.01628	0.7
191.03349	9.3
191.07030	0.5
192.10199	2.5
197.05977	0.6
197.11731	0.5
198.11220	15.0
199.14372	23.5
201.05475	0.4
203.06969	0.7
207.10115	0.5
208.05092	1.9
209.06065	0.5
209.08000	0.9
209.11658	0.9
211.07339	0.7
212.16475	0.4
213.15895	5.7
216.12270	21.1
217.12650	0.9
217.15399	0.8
219.02840	1.4
223.04182	3.3
223.07623	0.6
224.04498	0.5
225.05647	0.9
227.07011	0.7
227.10680	0.4
229.15404	0.5
231.06488	0.7
231.16974	3.3
236.04579	0.7
241.05017	0.7
241.08528	0.5
243.06435	3.3
249.07506	0.6
252.99706	0.5
253.08510	0.5
254.05870	0.7
254.99292	0.4
255.10123	0.5
267.07867	0.5
267.12231	2.7
269.07962	1.3
271.05914	0.9
272.06586	0.5
281.11435	0.4
284.09503	0.5
285.07446	5.0
287.12711	1.0
298.28372	1.0
299.12460	0.5
312.18085	3.7
313.07901	0.6
313.11722	4.1
315.08575	3.2
316.08765	0.4
330.10797	4.1
330.16333	2.0
330.19498	0.7
330.23779	1.0
331.08847	0.6
331.12000	4.0
331.16202	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.9
55.05501	8.6
56.05027	1.6
57.03430	1.2
57.05798	0.7
60.04513	1.5
62.06090	5.4
65.03932	0.8
67.05501	3.6
68.05043	0.9
69.03422	1.5
69.07057	31.5
69.39289	4.2
69.67243	0.6
70.02953	2.3
70.06578	15.9
70.06947	1.1
70.07394	0.8
71.04979	1.4
71.06940	0.7
72.08143	87.2
73.02901	3.4
73.06550	2.9
73.08492	1.0
73.17591	0.5
74.02437	0.6
74.06075	0.7
75.04471	0.5
76.02227	1.0
79.05476	4.7
81.03397	1.2
81.07042	6.6
82.06566	0.9
83.04977	2.2
83.08607	2.4
84.04494	3.4
84.08143	4.9
85.02903	1.7
86.00614	0.6
86.06053	30.1
86.09691	39.9
87.06432	0.6
88.03977	20.9
89.34930	0.5
91.05469	6.2
93.03379	0.5
93.07029	4.8
94.06564	1.6
95.04964	3.0
95.08597	2.1
96.08121	2.5
97.02877	1.0
97.06510	4.9
98.06046	1.6
98.09686	3.0
98.21523	1.1
98.98450	60.3
99.04434	3.1
100.07579	2.7
100.98888	1.0
101.02373	6.7
102.05518	0.6
103.05442	1.3
105.07024	2.2
107.04930	2.5
107.08553	3.6
108.08117	2.6
109.02910	0.6
109.06494	13.3
109.10156	2.3
110.06004	1.6
110.07166	1.0
111.04436	0.8
111.08071	7.8
112.07560	0.6
112.08756	0.6
114.09113	0.9
115.07549	3.0
116.07072	1.6
116.10708	17.0
116.11488	0.8
116.99496	1.8
117.07008	1.1
118.08685	0.7
119.04908	1.1
119.08592	2.4
119.54107	0.5
120.08089	2.3
121.06489	1.9
121.08862	1.4
121.10117	2.0
122.02712	1.1
122.03640	0.7
122.06017	2.0
123.04417	1.2
123.08081	0.7
123.11693	1.1
124.07597	1.7
124.11234	1.3
125.06023	0.6
125.07119	0.7
125.09586	0.9
126.05473	2.7
127.03911	1.1
129.10213	0.8
130.05022	0.8
130.06497	1.0
131.04929	2.1
131.08603	0.9
132.01137	0.8
132.10191	1.3
133.06367	0.7
133.10129	0.9
134.06024	0.8
134.09647	2.8
135.04417	1.0
135.08064	4.1
136.07571	2.3
137.05951	17.9
137.09583	1.3
138.06317	0.9
138.09084	1.0
140.07033	7.8
141.09062	2.1
142.08604	2.2
143.30952	0.6
144.04433	1.0
144.06566	1.5
146.06004	1.6
147.04361	1.4
147.08009	0.7
149.05948	0.9
149.09589	0.7
150.05460	0.7
151.02119	0.8
151.07513	2.6
152.10693	2.0
153.05467	0.9
153.09077	5.6
154.08635	1.1
155.07036	1.3
158.11758	2.4
161.06042	1.0
162.05505	5.2
163.03876	1.6
163.07526	3.2
164.07027	0.5
165.09128	0.6
167.07066	1.7
167.08469	0.9
168.06538	5.6
169.12257	1.2
170.11716	6.5
171.14900	22.4
172.03934	4.4
174.05702	1.2
174.99228	3.0
175.07491	0.9
175.14798	0.7
175.99474	0.6
176.98871	4.8
177.05461	2.5
178.05795	0.7
179.04872	0.7
180.10150	3.3
181.04941	11.8
181.06483	1.2
182.08232	1.1
185.16446	13.6
188.07320	0.9
189.09067	1.4
190.04973	13.1
190.06798	0.9
191.03360	3.9
192.06363	0.9
192.07909	0.6
192.10254	1.8
196.31061	0.5
197.94325	0.5
198.11221	69.4
199.11523	2.4
199.14380	18.5
203.05396	1.0
203.07056	0.9
207.06450	1.2
208.05167	2.1
209.08044	0.9
209.11719	1.6
211.07407	1.4
212.16357	2.4
213.15936	10.7
216.12271	100.0
217.12637	2.6
217.15486	1.6
219.02870	0.7
221.05867	0.8
223.04224	2.0
223.07651	0.9
225.05736	2.9
227.06824	0.6
229.15445	1.1
231.16940	2.8
236.04681	0.8
241.05173	0.9
243.06497	1.1
248.12279	0.6
252.99805	0.8
253.08533	0.7
254.00113	0.8
254.05803	0.8
254.99330	0.7
267.12402	2.1
269.07990	1.6
270.05115	0.9
270.08029	0.6
271.06036	0.6
271.10168	0.8
285.07678	2.3
285.12668	0.8
287.12790	1.1
294.17081	0.7
312.09125	2.1
312.17999	15.6
313.11386	3.0
315.05078	1.0
315.08597	5.3
316.09128	0.9
330.10739	6.9
330.14136	0.8
330.18857	6.8
330.23065	1.2
331.08145	5.0
331.12039	6.5
331.16876	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2468
Annotation	(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid
Peak:m/z	Relative Intensity
52.43726	1.0
53.03928	1.7
55.01852	1.4
55.05502	14.1
57.07055	4.5
59.04962	2.0
59.40339	1.0
67.05493	12.7
69.07051	12.1
69.71765	1.1
71.04961	2.5
71.28581	1.9
79.05482	11.6
81.07039	41.3
83.04954	3.2
83.08604	7.9
85.06523	13.8
91.05452	9.4
91.92173	1.1
93.07027	24.8
95.08588	26.3
97.06498	4.6
97.10139	4.2
98.21502	1.1
98.98448	89.0
99.04424	3.8
101.05982	6.9
105.07018	22.2
107.08575	39.6
108.42644	1.0
109.06519	6.4
109.10140	15.1
111.08070	2.2
111.11664	1.5
115.05373	1.0
116.99458	2.4
117.06982	3.6
119.08559	25.8
121.10117	25.5
123.11674	7.2
127.07556	7.0
131.08545	14.9
133.10129	13.3
135.07974	1.3
135.11671	10.5
137.13257	1.4
143.08517	2.6
144.09264	2.0
145.10091	22.7
147.11665	11.0
149.09560	5.2
149.13223	6.8
157.10101	5.2
158.10901	2.3
159.11661	38.6
161.13239	12.2
163.14764	4.6
167.10655	6.3
169.10097	1.8
171.11638	2.8
173.13234	19.7
174.99202	8.6
175.11279	1.4
175.14821	3.5
176.98930	5.7
181.12155	2.3
183.11595	1.4
185.13237	3.5
187.14777	12.2
189.16333	6.8
193.12155	1.7
197.13266	1.9
199.14807	4.2
201.12703	1.4
201.16328	12.4
203.17926	3.6
207.13638	1.4
211.14792	3.0
213.16261	7.5
215.17911	30.8
219.13783	2.3
219.21005	5.4
221.15300	2.3
227.14240	1.2
228.18826	1.2
229.15643	1.2
229.19449	4.8
233.15303	1.6
235.16866	1.3
237.16440	1.7
237.22096	4.4
241.15752	1.6
245.15289	1.3
251.00000	1.4
255.17332	2.4
259.16879	3.1
269.18997	4.3
269.22540	3.3
273.18484	4.6
287.19843	1.9
293.22604	4.1
311.23160	7.7
329.24658	100.0
330.24985	3.2
330.33606	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	329.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	4.9
57.03420	1.0
57.07071	1.8
58.96188	0.7
59.04977	1.1
67.05501	6.9
68.99773	2.0
69.03418	2.6
69.07060	11.4
69.21340	0.7
69.49757	1.5
69.50158	4.2
71.04985	1.6
79.05490	3.2
81.06582	1.3
81.07043	15.8
83.04961	3.8
83.08609	5.3
85.06535	10.8
86.09686	1.5
87.00812	5.2
87.04462	1.0
91.05466	3.1
93.07035	7.7
95.04960	2.0
95.08596	46.4
97.06526	2.9
97.10209	0.9
98.21457	1.4
98.98454	100.0
99.08075	5.7
101.06020	1.9
103.05413	0.8
105.01877	0.8
105.07010	6.8
107.04920	0.8
107.08581	8.0
109.06492	4.2
109.10155	5.8
111.04435	1.0
111.08057	3.4
111.11705	0.8
113.05983	1.1
113.09611	3.1
115.03909	1.0
116.99511	3.2
117.06997	0.8
119.08566	7.8
121.06465	0.9
121.10130	14.2
123.08049	12.5
123.11694	1.5
124.07588	1.0
125.06048	0.8
127.07549	1.3
129.05450	1.8
131.08463	0.8
133.06441	0.9
133.10123	2.9
135.11707	5.6
137.05974	2.2
137.09537	3.2
137.13228	4.0
138.06299	2.4
139.06491	0.7
139.11176	2.3
141.09044	3.2
147.11713	1.1
149.09662	1.9
151.03899	0.7
151.07520	3.5
151.11185	1.1
151.14857	1.6
157.12299	0.9
161.13231	13.0
163.07527	0.7
165.12730	0.9
167.10655	1.2
174.99200	9.5
175.07510	0.9
176.98882	4.4
179.14287	16.1
180.14717	0.8
185.11763	1.8
189.12767	1.9
197.15340	77.9
198.15707	3.0
202.03616	0.7
204.06575	0.9
207.13815	5.2
208.05197	1.0
225.14818	7.5
236.04550	0.8
239.16451	2.4
243.15883	7.2
252.99762	2.4
265.14322	3.7
267.15964	1.5
269.08151	1.1
283.09747	1.6
283.12854	0.7
283.15442	5.0
293.13885	1.0
311.14899	12.2
315.08670	2.4
319.72873	0.8
321.01944	0.7
329.06760	1.7
329.13724	2.9
329.16537	1.1
330.10971	2.3
334.45212	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.5
55.05492	6.8
57.07055	4.1
58.06547	1.5
58.99564	6.9
65.03905	2.3
67.05484	5.2
69.03404	2.9
69.07057	11.5
69.62827	7.8
69.63232	2.7
70.06570	8.0
71.04988	1.8
72.08144	44.1
76.02201	5.7
77.62665	1.6
79.05465	6.4
80.25227	1.7
81.07027	12.5
82.06564	34.5
83.04976	2.4
83.08569	6.6
84.04464	2.2
84.08112	3.8
86.00626	1.9
86.09676	10.0
86.99036	4.4
88.03945	2.7
91.05441	6.7
93.07030	9.9
94.06541	5.6
95.04984	2.5
95.08593	5.3
97.06465	2.2
98.98450	73.9
100.02190	2.7
100.07565	4.3
102.00146	3.6
105.00047	6.6
105.07004	4.2
107.04934	1.8
107.08571	13.3
109.06493	7.8
109.10117	5.5
110.06037	3.7
111.08035	4.3
112.07560	1.4
113.04208	1.5
119.08530	3.1
120.08062	1.9
121.06459	4.1
121.10094	10.2
122.02710	13.1
122.05999	9.5
123.04395	6.0
123.08036	8.7
123.11678	19.3
125.09589	2.3
126.09242	1.6
127.03897	2.0
129.10149	1.7
131.04810	1.8
131.08531	2.7
132.01146	4.1
133.10121	9.4
135.08023	14.3
135.11652	3.2
137.05920	4.3
140.05278	12.1
140.07043	26.9
141.07823	3.2
144.04425	4.9
145.10072	2.7
146.02634	2.8
146.05978	2.8
148.00652	2.1
149.13246	3.8
151.03874	5.1
151.05757	1.8
151.07545	2.0
153.03709	3.4
153.09084	8.4
162.05428	6.5
163.07417	1.9
163.14786	4.8
167.07021	2.3
168.06522	4.5
169.04935	37.3
169.06415	3.1
171.10144	1.7
171.14893	11.8
172.03918	23.4
173.13257	6.3
174.99187	3.5
176.98917	6.1
185.16455	2.0
186.05809	100.0
188.03659	2.6
188.07410	2.1
190.04947	86.8
191.14264	27.3
192.06497	5.7
199.14386	7.6
204.06613	3.1
208.05075	3.4
209.15294	2.1
213.15846	2.9
221.32956	1.5
223.04192	4.9
225.13057	8.0
267.12219	2.3
269.07980	2.5
286.10519	2.1
289.11795	2.4
298.28564	4.3
312.16220	64.9
313.11792	4.1
313.16635	2.1
315.08478	5.4
330.06735	2.9
330.10709	6.3
330.17264	1.6
331.12552	12.6
332.09216	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	329.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.3
55.01876	0.4
55.05497	0.6
65.03930	0.3
67.05485	0.7
68.05034	1.5
69.03410	0.7
69.07056	0.9
70.03398	1.1
70.06591	0.3
72.08118	0.5
77.01591	0.4
79.05476	2.3
80.79858	0.2
81.03396	0.6
81.05787	1.1
81.07028	2.0
82.06594	0.3
83.04941	0.4
84.08147	0.4
85.02904	0.6
89.03905	0.7
91.05466	0.6
91.62144	0.3
93.07022	2.5
94.06535	0.4
95.04964	0.6
95.08591	1.1
96.04472	0.7
96.08112	3.1
97.02902	0.4
97.06542	0.3
98.20840	0.4
98.98448	100.0
99.08123	0.2
100.98881	0.9
105.07014	0.8
106.06537	0.3
107.04874	0.3
107.08576	0.6
110.06031	1.1
111.08056	0.4
116.04955	3.3
116.99477	4.1
118.06499	0.5
119.08553	0.8
121.10123	2.2
123.08093	0.2
124.07568	52.9
125.07820	0.6
125.08319	0.8
131.08536	0.3
134.05984	0.3
135.08020	0.3
137.05925	0.5
140.01054	1.1
140.07001	0.3
144.04419	7.7
145.05093	0.3
146.05992	6.5
147.07974	0.3
147.11635	0.4
148.07487	0.4
149.09555	0.6
157.10086	0.4
162.05472	4.9
165.09024	0.3
167.10660	0.7
172.03903	36.9
173.04285	1.3
174.05463	2.7
174.99193	11.5
175.99544	0.3
176.98889	5.5
178.08560	0.6
188.03340	0.4
189.04211	0.3
190.04939	0.4
191.05580	0.4
192.06567	0.4
204.06523	69.2
205.06932	2.8
206.04778	0.5
206.08083	13.0
207.08371	0.6
208.05049	0.6
236.04567	0.3
250.99948	1.1
252.99660	2.3
269.07980	0.5
269.12671	0.9
283.09650	0.4
297.11917	0.6
311.13721	1.1
315.08575	1.1
315.13242	3.6
329.06400	1.0
329.10510	1.0
329.14828	4.1
329.21133	0.4
330.10870	1.7
330.15002	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.149
Annotation	phenylalanyltyrosine
Peak:m/z	Relative Intensity
50.81773	0.2
53.03934	0.3
53.20992	0.2
55.01858	0.5
55.05497	0.8
55.43841	0.2
56.05023	0.3
57.03433	0.2
58.06581	0.5
58.06860	0.2
59.04987	0.5
63.75049	0.2
67.05488	1.0
69.03411	0.7
69.07049	0.8
70.06579	2.6
71.03185	0.5
71.04974	0.6
72.04512	0.2
72.08141	3.1
73.06538	1.8
73.08498	0.3
74.06059	0.3
74.06871	0.8
74.09670	0.2
77.01579	0.3
77.03913	0.2
79.05465	1.3
81.03425	0.9
81.07034	1.0
82.06575	0.3
83.04981	0.4
84.04500	0.5
84.08130	2.4
85.02883	0.7
85.06524	0.3
85.08442	0.3
86.09684	2.3
87.04457	0.9
87.10033	0.4
88.02229	0.3
88.03972	0.5
89.03852	0.2
91.05450	3.2
91.06007	0.2
92.05798	0.2
93.07029	2.7
95.04943	1.5
95.08594	0.8
96.04440	0.4
97.02879	0.4
97.06511	0.6
98.06039	0.9
98.98449	80.5
99.04430	0.4
100.07602	2.1
100.98870	0.6
103.05446	6.2
105.03372	0.3
105.07024	1.0
107.04938	1.3
107.08580	0.6
109.02876	0.3
109.06494	0.7
109.10121	0.5
110.06009	0.3
110.07151	0.3
111.59130	0.2
112.07558	0.3
112.11197	0.2
115.05423	0.3
116.07069	2.6
116.10699	0.3
116.99480	3.3
119.04916	1.5
119.07243	0.3
119.08568	1.3
120.08081	100.0
121.02843	0.2
121.06476	1.1
121.08418	2.5
121.10085	0.3
122.02740	0.2
122.03619	0.2
123.04385	1.4
123.08066	0.5
124.03921	0.5
124.07566	0.4
125.05943	0.6
126.09134	0.4
127.03912	0.4
128.10765	0.2
129.10228	0.4
130.06519	0.2
130.08611	0.4
130.12277	1.0
131.04907	0.5
133.02841	2.4
133.06491	0.4
135.08051	0.4
136.07553	6.5
137.05951	4.3
137.09583	0.5
138.05466	0.4
138.09082	0.4
140.01070	0.6
140.07016	0.6
147.04390	0.9
147.08020	0.8
147.14912	0.6
149.05916	1.5
149.11662	0.6
150.12025	0.3
151.07497	0.3
153.09076	0.2
158.08080	0.5
159.08356	0.4
161.05910	0.4
162.05437	0.2
163.07472	1.0
165.05429	3.2
165.06725	0.3
165.09077	0.4
167.03407	0.2
167.07028	0.5
168.04857	0.3
168.06516	1.1
174.99194	10.1
175.07487	1.3
176.98886	4.5
177.05406	0.3
177.09134	0.2
179.07005	0.7
182.08095	6.6
182.11726	0.7
185.12852	0.2
186.11218	4.3
186.16768	0.3
190.04973	0.2
193.06332	0.3
194.11742	0.2
205.08498	0.2
209.07967	0.3
210.05881	0.6
213.09059	0.4
222.14809	1.4
223.04286	0.5
225.09102	0.3
226.05240	0.5
226.17937	0.2
230.17433	0.2
240.15900	1.4
250.99924	0.9
252.99718	2.0
254.04726	0.2
254.17435	0.3
267.10065	0.2
270.08920	0.2
279.09784	0.3
281.11728	0.3
283.10898	0.3
283.14316	1.2
285.08392	0.6
285.11142	0.2
293.22168	0.3
294.20667	1.0
297.11115	0.3
299.12723	0.6
311.13083	0.4
311.23178	4.0
312.21597	2.1
328.69400	0.2
329.07593	0.2
329.14874	4.1
329.24249	10.7
330.10681	0.3
330.14862	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1489
Annotation	H-Tyr-Phe-OH
Peak:m/z	Relative Intensity
50.31804	0.2
52.89664	0.2
53.03931	0.3
53.70021	0.2
55.01854	0.2
55.05510	0.4
56.05001	0.2
56.12823	0.2
57.41184	0.2
59.04981	0.6
60.04527	0.3
67.05483	0.4
69.07040	0.3
70.06579	2.0
70.79073	0.2
70.79412	0.4
72.08138	4.1
73.08467	0.8
75.32664	0.2
79.05466	0.3
79.44441	0.2
81.07040	1.0
82.06584	0.2
82.07380	0.3
83.04935	0.2
84.08103	1.0
86.09679	1.1
87.04459	0.2
89.06013	0.6
91.05463	20.3
92.05803	0.3
93.07021	0.5
95.04945	0.4
95.08587	0.2
98.06053	0.2
98.98447	33.5
99.19039	0.2
100.07568	0.3
100.98859	0.3
103.03928	0.4
103.05458	0.5
105.03378	0.2
105.07064	0.3
107.04943	2.0
107.08579	0.6
109.02867	0.2
109.06485	0.5
110.06037	0.2
110.07159	0.2
111.08061	0.2
112.07566	0.3
116.07087	0.3
116.99483	1.3
117.05639	0.2
118.06494	1.1
119.04918	14.4
120.05268	0.4
120.08080	7.8
121.06488	1.9
121.08379	0.3
124.03934	0.3
124.12014	0.4
129.10228	0.2
131.04890	0.4
131.08563	0.2
132.08066	0.3
133.08583	0.3
135.08043	0.3
136.07549	100.0
137.05957	0.6
137.07915	2.5
140.01060	0.3
140.06940	0.2
146.05969	1.8
147.04431	0.5
147.07961	0.3
149.05942	0.4
149.09552	0.2
151.07573	0.3
153.09103	0.4
159.04396	0.4
161.05959	0.3
163.07460	0.2
164.07126	0.3
166.05737	0.2
166.08612	4.7
167.07005	0.9
167.08498	0.2
167.08978	0.2
168.06570	0.2
174.99219	3.4
176.98909	1.8
177.05386	1.6
179.06960	0.4
180.10188	0.2
184.04478	0.4
192.06508	0.4
196.12563	0.4
198.11266	0.2
201.12268	0.2
206.08064	1.2
209.02556	0.2
209.08060	0.4
210.02394	0.3
212.58656	0.2
222.18513	0.3
223.18851	0.9
240.19518	0.6
241.05252	0.6
241.19862	2.1
250.99983	0.3
252.99686	0.8
258.22543	0.3
270.11343	0.2
281.87454	0.2
283.14346	0.7
284.12781	0.7
285.13260	0.2
311.09201	0.2
312.08868	0.5
312.12189	1.4
312.17212	0.5
312.27234	1.5
329.11127	0.2
329.14819	4.6
329.24442	0.8
329.29834	4.8
330.10495	0.5
330.14694	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.7
53.67110	0.5
55.05488	2.0
56.05006	1.5
56.24691	0.6
56.52869	0.5
57.03418	1.2
57.07050	0.5
58.06594	2.7
59.04987	10.3
67.05489	3.7
69.03405	1.8
69.07045	2.9
69.28531	5.3
70.06577	7.0
71.04952	0.8
72.08139	70.9
73.02884	1.0
73.06529	0.6
76.07622	1.0
79.05460	2.3
81.03390	0.8
81.07034	16.0
83.04956	0.8
83.08591	1.6
84.04487	1.3
84.08125	5.0
85.02897	0.8
86.09691	2.9
87.04440	7.2
89.05470	1.2
89.06013	23.4
90.06345	2.5
91.05458	14.2
93.07022	2.0
95.04957	1.6
95.08590	6.3
96.08099	4.4
97.06515	0.9
97.10107	0.9
98.06022	3.4
98.26778	0.5
98.98443	62.3
99.04417	2.5
99.08047	0.7
100.07592	2.2
101.07117	1.6
103.03918	22.3
103.07543	2.1
105.03371	0.6
105.06998	2.3
107.04943	1.6
107.07026	1.1
107.08574	1.7
109.06474	1.5
109.10143	0.7
110.06010	0.9
110.07152	0.8
110.09621	0.8
111.08072	0.7
112.07589	6.3
112.11226	2.9
116.07079	1.2
116.99474	1.8
117.05444	3.2
118.06527	0.6
119.04913	10.3
119.08543	1.8
120.08077	6.1
121.06509	0.7
121.08616	4.0
121.10108	2.1
123.04413	0.7
123.11681	5.5
124.07561	2.4
126.09128	0.8
128.07059	0.8
131.07011	4.0
133.08575	14.0
134.08925	1.3
136.07547	67.8
137.05968	1.5
137.09641	0.6
137.13222	1.8
138.05450	0.8
138.09116	1.8
139.11130	1.4
144.96951	0.6
146.05952	1.1
147.06502	2.1
147.07961	0.6
147.11642	2.8
151.09602	0.6
152.10612	0.9
152.14278	1.4
155.11780	1.5
161.08035	0.9
163.11049	0.6
165.12701	1.2
166.08591	4.3
166.12248	0.6
174.99196	8.0
176.98918	2.8
177.11200	3.0
183.05246	0.7
194.15405	4.0
195.12209	4.2
197.12975	0.5
207.06216	0.7
207.12181	6.3
207.13713	0.7
212.16386	3.3
221.13867	1.0
222.18471	20.6
223.19061	0.7
229.15405	1.2
235.11714	4.4
239.14619	0.7
239.21167	1.4
240.19524	50.7
241.19881	1.9
250.99957	0.9
252.99649	1.2
253.12753	9.3
257.22205	9.2
268.62979	0.6
283.17371	0.7
293.15875	1.5
293.25793	0.8
311.16940	10.7
311.23141	1.2
311.26825	22.3
312.12335	1.0
312.17209	0.9
312.27158	0.9
328.09210	0.7
328.17618	8.0
328.29495	100.0
329.11298	0.6
329.14691	4.2
329.23941	1.3
329.29718	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	328.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.1
55.01857	1.5
55.05501	11.7
56.60058	0.6
57.03416	2.9
57.07063	0.9
59.04990	1.1
60.84361	0.7
65.03910	1.3
67.05496	34.1
68.05790	0.7
69.03407	0.9
69.07056	9.7
70.04922	3.5
71.04965	3.4
72.08125	1.3
79.05482	26.9
81.03399	3.2
81.07045	22.2
83.04958	3.9
83.08610	7.8
85.02890	0.9
85.06490	1.0
91.05466	17.1
93.07031	23.5
93.18805	0.7
95.04957	10.6
95.08587	15.2
95.79292	0.7
96.08897	0.8
97.06517	1.6
97.10143	6.4
98.21517	0.9
98.98450	100.0
105.07014	15.0
107.04920	2.2
107.08575	17.1
109.06512	1.8
109.10145	20.3
111.08057	2.0
116.99481	2.1
117.07010	4.3
119.08563	13.6
119.10869	0.7
121.06563	1.3
121.10126	14.8
123.08027	1.4
123.11667	2.5
125.09627	6.1
129.06960	1.2
131.08539	4.8
133.10120	10.1
135.08041	1.1
135.11668	3.2
137.09602	11.2
139.11185	1.9
145.10106	5.6
147.11678	4.8
149.09608	2.1
151.11168	1.8
155.10666	2.5
157.10078	1.7
159.11685	2.4
161.13197	1.8
163.11137	1.4
171.11678	2.3
173.11726	11.6
173.13234	2.8
174.99193	11.7
175.11142	1.1
175.14745	0.8
175.99489	1.2
176.98909	4.5
189.11201	3.8
193.12276	2.2
197.13228	0.8
211.13280	3.7
223.13326	1.3
235.16956	2.0
239.17937	1.1
250.99986	1.3
252.99753	1.7
257.18991	1.9
275.20010	11.3
293.21088	2.8
306.52023	0.7
331.20078	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.8
55.01844	1.3
55.05230	0.7
55.05499	12.2
57.03425	3.2
57.32987	0.6
59.04976	0.9
65.03928	1.0
67.05495	28.0
69.03419	1.6
69.07053	8.3
70.83408	2.1
71.04968	2.9
72.08138	2.5
79.05480	27.4
79.42989	0.7
81.03404	3.2
81.07041	19.6
81.07512	1.0
82.07432	0.7
82.95567	0.6
83.04947	2.0
83.08603	6.7
85.06491	1.0
91.05463	16.7
93.07024	25.0
95.04950	8.0
95.08588	14.8
97.06509	2.1
97.10162	6.0
98.98447	100.0
105.07013	10.8
105.25294	0.7
107.04955	0.9
107.08574	11.5
109.06502	2.4
109.10136	14.2
111.08041	3.8
116.99477	4.0
117.07002	3.3
119.08569	9.9
121.10119	20.8
122.27682	0.6
123.08020	1.6
123.11709	2.1
125.09592	5.1
128.07144	0.7
129.07007	1.2
131.08524	4.4
133.10098	8.4
135.08031	1.9
135.11674	2.3
137.09589	5.8
139.11174	1.7
140.01094	1.9
141.07051	0.8
143.08565	1.2
145.10107	3.8
147.08064	0.9
147.11685	3.8
149.09637	1.6
149.13240	0.8
151.11192	0.9
153.09019	1.0
155.08604	0.7
155.10634	4.4
157.10147	1.3
159.11702	2.8
161.13234	2.8
163.11162	1.4
165.12779	0.9
171.11641	1.2
173.11711	15.7
173.13173	1.7
174.99190	13.3
176.98892	4.4
179.14340	1.1
183.11545	1.0
189.11206	4.6
193.12181	1.2
211.13226	0.9
223.13185	1.1
239.18031	1.1
240.19659	1.0
251.00038	1.0
252.00514	0.8
252.99754	1.9
257.18951	2.0
265.96423	0.7
275.20016	10.8
292.22864	1.9
293.20966	3.3
328.25681	1.3
328.29578	1.5
350.54889	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.7
53.04688	0.5
55.01857	2.2
55.05497	4.6
55.97627	0.5
57.07045	0.7
63.59660	0.5
67.05494	9.3
69.03411	0.7
69.07056	7.1
69.92147	1.4
69.92557	1.6
70.04076	0.6
70.06569	0.6
71.04965	1.2
72.08150	1.6
79.05483	9.0
81.03379	1.1
81.07041	25.5
81.07525	1.2
83.04947	1.3
83.08611	3.1
85.06523	0.8
91.05466	7.1
93.07030	8.3
95.04958	3.6
95.08596	7.4
97.06516	2.4
97.10142	0.8
98.21474	0.7
98.98448	100.0
99.08073	1.5
100.98852	1.0
105.07011	8.0
107.04932	2.1
107.08569	5.2
109.06489	8.8
109.10149	2.9
111.08054	1.9
116.99498	2.5
117.06989	2.1
119.08554	6.6
121.06512	1.4
121.10101	3.3
121.29147	0.6
123.08057	3.2
123.11689	1.6
125.09626	0.8
129.06952	0.6
131.08530	3.0
133.06468	0.6
133.10120	5.9
135.08035	2.0
135.11674	2.2
137.09615	1.3
140.01074	1.2
145.10129	2.5
147.11673	6.5
149.09615	2.7
149.13252	2.7
151.11185	1.4
155.08611	0.7
157.10127	1.4
159.11703	2.9
161.09639	0.9
161.13289	0.8
163.11174	2.3
165.12729	1.9
171.11581	1.0
173.09621	1.1
173.13258	1.2
174.99190	11.7
175.11163	1.2
175.99593	1.1
176.98878	4.4
177.12772	1.0
191.14276	0.9
193.12207	1.5
193.15834	0.7
195.13850	0.9
201.55673	0.6
211.14838	0.6
229.19559	1.1
239.17969	1.5
247.20677	1.7
250.99983	1.9
252.99765	2.4
257.18985	3.8
275.20016	35.4
276.20575	0.6
293.21051	19.0
311.18521	1.9
328.25986	1.0
328.32571	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	328.196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.4
55.01860	0.4
55.05500	1.7
56.05000	0.4
57.03415	0.4
57.07055	0.4
58.06582	1.4
59.04987	0.4
60.04511	0.6
61.30087	0.3
65.03935	0.5
67.05486	1.5
69.03412	1.8
69.07047	1.3
69.64239	1.0
69.64648	1.2
70.02934	0.5
70.06581	10.6
71.05012	0.4
72.07740	0.8
72.08142	12.4
73.02904	32.5
74.03242	0.6
76.02206	0.6
77.01575	0.3
79.05476	1.9
81.03398	1.0
81.07041	2.9
82.06577	1.8
83.04955	0.9
83.08604	0.4
84.04484	1.5
84.08134	4.4
85.02893	1.3
85.06513	0.4
86.09692	5.7
87.04463	0.8
88.02203	0.4
88.03984	1.0
89.06011	28.0
90.06363	0.8
91.05456	3.5
93.07018	2.9
94.06554	0.4
95.04956	0.9
95.08590	1.9
96.08099	2.0
97.02845	1.0
97.06505	0.4
98.06043	0.8
98.98447	100.0
100.07598	1.8
100.98890	0.7
102.05486	0.4
103.05416	0.7
105.03327	0.4
105.07010	2.8
107.04940	0.9
107.07043	0.9
107.08551	1.7
109.02822	0.7
109.06506	1.0
109.10130	0.9
110.06004	0.6
110.07150	0.7
112.07582	0.8
112.11240	1.8
116.07066	1.3
116.99489	4.5
117.05495	0.5
117.07001	0.8
119.04922	2.2
119.08533	1.7
120.01141	1.2
120.08101	2.3
121.06516	0.7
121.10123	1.5
122.02679	0.7
123.04409	0.9
123.08003	0.7
123.11670	0.7
124.07552	2.6
127.03929	0.4
128.07031	0.9
128.10722	0.4
129.10202	1.2
130.05016	0.7
130.08615	1.2
131.04901	1.1
131.08591	0.5
132.01169	0.5
133.06419	0.6
133.08577	15.6
133.10144	0.8
134.08907	0.6
135.08031	0.8
136.07552	5.9
137.05965	4.0
138.05424	0.9
138.06339	0.8
138.09061	0.9
140.01035	0.5
142.08627	0.6
143.08542	0.5
145.06465	0.5
145.10109	0.5
146.08057	0.8
147.04399	1.1
147.07938	0.7
147.11589	1.0
149.05971	0.7
149.09561	0.8
151.07468	1.2
152.14314	1.8
161.05949	1.0
161.09569	0.6
161.13252	1.4
163.07544	1.0
163.09474	0.4
163.11043	0.4
164.09352	0.7
165.05525	0.5
166.03175	1.8
166.04773	0.5
166.08580	1.0
167.03381	0.7
167.07033	0.7
169.13268	1.8
171.11681	0.6
173.09242	1.0
174.99211	11.3
175.07602	0.6
175.99496	0.7
176.98911	5.2
177.05434	3.5
177.08995	0.5
177.09482	0.4
177.11192	6.4
179.07030	1.7
179.10652	0.4
182.08081	0.6
188.03465	0.8
189.12704	2.1
194.15317	0.6
195.12251	1.3
197.12816	1.4
203.06934	0.4
205.08829	0.5
205.10664	2.3
206.04491	0.8
207.13760	2.9
222.18413	2.4
226.08897	0.5
239.14827	1.5
240.19528	4.4
250.99963	1.5
251.07045	0.5
252.99638	3.2
257.22302	0.8
265.09567	0.4
272.17801	1.3
283.10672	0.7
283.17450	22.8
284.17892	0.8
293.25650	0.5
307.86960	0.4
310.16937	0.6
310.20123	0.4
311.09906	0.8
311.13245	0.6
311.16907	4.8
311.23373	0.6
311.26868	2.7
312.17145	0.4
328.09027	0.5
328.12543	1.0
328.17313	5.3
328.22778	0.9
328.26132	0.9
328.29495	14.5
329.06631	0.8
329.10864	2.7
329.17813	0.5
329.24298	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1749
Annotation	Cropodine
Peak:m/z	Relative Intensity
53.03940	1.3
55.01870	0.9
55.05503	20.9
56.05013	1.3
58.49245	0.5
59.04984	2.6
60.04512	0.8
65.03919	0.8
67.05488	1.4
69.03414	0.8
69.17331	0.6
70.06580	7.5
71.04951	0.7
71.09032	0.6
71.43587	1.4
72.08147	5.4
73.02881	1.3
74.02430	11.1
76.74757	0.6
79.05476	2.6
80.05006	1.3
81.07032	1.0
82.06569	72.8
84.08126	2.2
85.02898	1.8
86.09690	5.3
87.04472	1.5
89.06026	7.1
91.05466	9.7
92.05833	0.7
93.07029	6.9
95.04978	1.1
95.08588	2.1
96.08100	1.9
97.02901	0.7
98.98451	61.0
100.07597	13.5
103.03918	4.4
103.05451	0.9
105.07029	1.6
107.04923	1.2
107.08569	0.9
109.10133	1.1
110.06023	0.6
116.07062	5.2
116.99475	1.9
117.05522	0.9
117.06991	1.9
119.08573	13.0
120.08080	1.8
120.08899	1.4
121.06486	1.3
121.08572	0.8
123.04420	1.2
123.08040	0.7
126.05497	1.7
128.07060	100.0
128.52040	0.8
129.07309	2.0
131.04851	0.7
131.07002	0.8
133.08578	3.5
134.08948	0.6
135.08130	0.7
137.05933	1.1
137.09608	0.8
138.05455	0.8
146.08112	13.8
147.08034	6.4
147.11732	0.8
152.14331	1.9
165.09142	3.2
166.05128	0.7
169.83667	0.7
174.99239	6.5
176.98904	2.4
177.11194	1.2
185.16444	1.5
190.08604	1.8
195.12273	1.2
196.07619	0.8
207.10208	0.8
207.12216	1.7
213.15892	1.0
215.13930	1.7
220.07559	0.9
235.11859	0.8
236.07108	0.7
237.10443	0.6
248.07137	0.9
252.06975	0.6
252.99768	1.4
253.12831	1.9
265.09692	5.8
266.07950	0.8
266.72791	0.6
310.16428	19.4
311.16873	3.4
328.17661	15.7
328.29581	0.8
329.11099	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	328.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64040	0.3
55.01876	0.5
55.05494	0.9
56.05035	0.4
67.05482	1.1
69.03405	1.0
69.07048	1.3
70.00832	1.3
70.06570	0.4
71.05019	0.3
72.08131	4.4
79.05468	1.2
81.03397	0.4
81.07034	3.0
83.08600	0.3
84.08133	0.9
85.02888	0.7
91.05460	1.9
93.07026	3.6
94.06567	0.3
95.04874	0.3
95.08585	0.9
95.78764	0.3
96.04478	0.4
97.02856	0.4
98.09658	0.4
98.98444	98.1
100.07597	1.4
100.98865	0.9
105.06993	0.5
107.08579	0.6
108.08112	0.6
109.06473	0.6
110.33989	0.3
112.11212	0.5
115.05435	0.6
116.98770	0.4
116.99502	3.5
118.06556	0.6
119.08582	1.6
121.10149	3.9
121.92201	0.3
126.09132	0.4
127.03889	0.3
129.13876	0.3
130.06487	4.6
132.08052	0.7
133.05228	0.5
137.09648	0.5
140.01071	1.7
140.04912	1.6
142.06459	0.4
144.06912	0.4
144.08014	0.6
146.05978	1.3
147.06769	0.7
147.07942	0.4
148.07538	1.2
149.09569	0.7
151.07529	0.4
156.06792	4.2
156.08041	0.8
157.07562	5.5
157.08865	0.4
158.05998	1.1
158.08286	0.7
158.09633	0.3
167.10602	0.4
168.06755	0.4
168.08089	0.9
169.06300	1.5
169.07599	4.9
169.08844	0.5
170.09622	0.4
171.14803	0.4
172.11212	0.3
172.79021	0.4
174.12729	0.6
174.99190	11.9
175.99548	1.0
176.98868	4.3
182.08345	1.6
183.09145	0.8
184.06326	0.4
184.11183	1.7
185.07039	2.0
185.10751	0.6
194.07076	1.6
194.09534	0.8
195.07683	0.5
195.09206	1.0
196.08569	2.0
197.07094	0.4
198.12703	0.6
200.10770	0.6
202.07326	4.6
202.12169	1.5
203.08136	0.6
211.12254	6.9
212.12605	0.4
213.06680	0.5
213.13890	0.3
215.08101	0.7
222.10258	1.1
223.08810	0.7
228.08948	0.5
235.11005	0.5
237.13800	2.7
238.13280	1.5
239.15428	0.9
240.07567	1.3
240.19560	1.4
242.76321	0.3
251.00040	1.3
252.99672	2.5
255.14845	0.5
257.12823	6.4
257.18549	0.5
264.14890	2.9
266.16470	0.6
267.86993	0.4
271.31619	0.3
282.16077	0.8
283.14343	1.0
292.14197	0.8
310.15421	100.0
311.15762	5.4
311.26898	0.5
328.12521	0.7
328.16293	1.8
328.25778	2.3
328.29553	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	328.157
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77195	0.5
55.01860	1.5
55.05499	2.6
57.03415	1.5
57.07048	0.8
58.06596	4.3
58.99565	2.0
59.04988	26.1
67.05485	2.9
69.03405	1.8
69.07052	2.9
69.59985	1.2
69.60395	2.4
70.06577	4.3
71.04987	0.8
72.08135	5.5
74.00655	3.4
76.02214	3.1
79.05466	4.2
80.05784	0.8
81.03384	0.7
81.07048	7.5
82.06550	2.1
82.07365	1.9
83.04961	2.2
83.08571	0.6
84.08121	1.6
85.06513	0.5
86.09685	2.6
86.99037	1.2
87.04449	1.1
88.02195	2.6
88.03961	1.2
89.06011	16.4
91.05462	6.9
92.05811	0.8
92.86699	0.6
93.07024	7.6
94.06524	0.7
94.07363	1.2
95.04935	2.0
95.08579	2.7
96.08097	1.5
97.02866	0.7
97.06494	1.5
97.56133	0.5
98.06026	1.9
98.98444	92.8
99.02647	1.0
100.02174	0.9
100.07600	2.0
103.05414	0.7
103.07561	1.6
105.00069	1.5
105.07007	34.3
106.07356	0.9
107.04948	1.3
107.07055	1.3
107.08561	4.8
108.08110	0.7
108.08894	1.8
109.06490	1.7
109.10090	0.5
110.07133	0.5
111.08026	0.8
112.11202	1.2
116.07063	1.2
116.99486	3.4
117.07005	1.2
117.09111	1.5
119.04967	0.6
119.08556	32.1
120.01118	7.0
120.08062	1.9
120.08849	1.3
121.06463	2.7
121.10098	2.6
122.02696	19.9
122.05995	0.6
122.10429	1.2
123.08041	2.3
123.11667	0.6
126.09164	2.6
127.09477	0.6
128.07060	1.3
129.06979	1.4
131.08540	7.1
132.01109	1.4
132.08878	1.0
133.06461	2.1
133.08578	7.3
133.10104	10.8
134.02682	0.8
134.10439	0.6
135.08046	1.3
135.11650	0.7
137.05937	2.5
137.09555	1.2
137.13257	1.1
138.05434	1.4
138.06349	1.2
139.11131	0.7
141.94533	0.5
143.08534	2.1
143.11783	1.3
145.03148	0.8
145.10094	6.4
147.04320	0.9
147.08014	5.5
147.11644	10.3
149.09589	2.2
150.09943	1.4
151.09662	0.8
152.14258	0.8
156.09296	2.2
159.11636	2.2
161.09561	1.6
161.13219	47.6
162.05795	2.0
162.13516	1.5
163.07483	0.6
163.11128	0.8
165.09105	0.7
165.12714	1.2
166.04996	0.8
167.06981	0.8
168.11101	0.5
171.11639	6.6
174.10365	1.9
174.99188	12.1
175.99557	1.1
176.98872	4.6
177.05421	0.8
177.11200	2.3
187.14279	0.6
189.12700	100.0
190.08618	1.0
190.13074	3.3
195.12247	16.1
206.04393	0.6
207.13760	66.2
208.14107	2.1
213.08957	0.5
221.09868	0.6
224.07272	0.8
224.16380	1.3
225.16707	6.1
240.19450	1.4
242.08405	4.6
250.99951	1.4
252.99686	1.9
253.16447	4.8
283.09756	1.0
310.14886	2.8
310.21906	1.2
311.20514	17.0
311.26462	1.0
328.15686	80.0
328.22763	14.1
328.29434	2.9
329.10376	1.3
329.15970	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	327.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.7
52.46551	0.3
53.03934	2.1
55.01864	0.7
55.05486	1.8
56.72564	0.4
57.03434	0.4
57.07058	1.1
66.16448	0.3
67.05488	3.6
69.07048	2.4
71.04966	0.4
71.49883	0.4
71.50204	0.5
72.08145	0.9
73.55744	0.4
77.01603	0.6
77.03921	0.5
79.05476	3.1
81.03402	1.4
81.07034	5.1
83.04977	0.5
83.08614	0.6
91.05457	5.0
93.07024	11.6
93.07625	0.6
95.04945	14.2
95.08589	7.1
97.06520	2.9
98.98443	100.0
102.61202	0.4
103.05469	0.3
105.04496	0.9
105.07006	7.6
107.08569	6.1
109.06502	1.4
109.10134	2.8
115.05446	0.8
116.99474	4.5
117.06992	2.8
119.08555	8.3
121.06494	2.5
121.10116	5.4
122.46544	0.4
123.08047	1.5
123.11674	1.2
127.67667	0.4
127.97556	0.3
128.06174	0.8
129.06978	1.6
130.07695	0.4
131.08549	4.5
133.06471	0.4
133.10085	5.8
135.08017	1.1
135.11664	1.5
137.09576	0.7
140.01045	2.0
141.06970	0.7
142.07724	1.4
143.08557	2.7
144.09320	0.6
145.10095	5.1
147.08061	0.6
147.11687	2.2
149.09625	0.5
152.06169	6.4
153.06938	5.7
154.07462	0.4
155.08517	0.9
156.09282	1.1
157.10094	4.7
158.10852	0.7
159.08105	0.6
159.11667	5.6
161.09576	2.2
161.13226	1.0
168.05702	1.6
169.06410	0.8
169.10092	2.1
170.10939	0.6
171.08002	0.7
171.11635	2.1
173.09563	0.6
173.13251	1.7
174.99188	16.5
175.14757	2.5
181.10127	0.6
183.02489	0.4
183.11647	1.4
184.12411	0.4
185.13124	1.7
187.11154	1.3
187.14722	1.8
189.12755	0.6
194.10806	0.4
195.11650	0.7
196.12386	0.5
197.13251	1.3
199.14807	1.3
201.12724	0.5
201.16330	0.8
205.10358	0.4
209.13164	1.0
211.14705	1.1
213.16403	0.7
215.02563	1.2
215.14252	0.4
217.15773	0.5
221.13281	0.4
223.14761	0.4
225.16296	0.5
228.09325	2.1
229.10066	1.1
233.03580	7.7
234.04025	0.5
235.14804	0.7
250.99983	2.7
251.04590	3.9
253.15877	0.6
269.22632	0.4
291.20895	0.7
298.17099	0.4
309.22018	0.6
310.31152	0.5
327.07727	27.5
327.23010	3.4
327.26587	0.6
327.33466	0.7
328.08023	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	327.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.9
53.42544	0.4
55.01865	0.7
55.05498	3.7
57.03416	0.4
57.07063	2.1
59.04996	0.7
62.38152	0.4
67.05490	5.3
69.03407	1.4
69.07056	11.0
70.06565	0.7
71.04973	0.8
71.08615	1.7
71.13263	0.7
72.08134	1.7
73.02905	0.6
74.12476	0.4
77.01598	0.5
79.05483	3.7
81.03402	0.9
81.07038	21.5
82.07378	0.4
83.04935	0.8
83.08602	4.2
84.08134	2.1
84.08565	0.4
85.02881	1.3
85.06528	3.1
86.09679	0.7
89.05990	0.6
91.05453	3.4
93.07021	8.0
94.07327	0.6
95.04949	0.9
95.08587	15.2
96.08916	0.5
97.06509	1.1
97.10149	1.5
98.98447	100.0
99.04359	0.4
99.08078	1.2
100.07619	0.6
101.02358	0.4
105.06998	2.5
107.04950	0.7
107.08560	8.0
108.05466	0.4
109.02876	0.8
109.06506	0.7
109.09450	0.3
109.10134	10.1
111.08030	3.0
111.11720	2.0
112.94262	0.4
113.36764	0.5
116.99495	3.1
117.07004	0.7
119.04923	0.6
119.08568	5.8
120.08093	2.4
120.08812	0.5
121.10122	4.9
123.04398	0.5
123.08077	0.6
123.11686	9.0
125.05920	0.4
125.09551	0.6
125.13251	0.6
127.03939	0.9
131.04865	0.6
131.08551	0.4
133.06467	0.7
133.10114	1.2
135.08015	0.9
135.11647	4.2
137.05942	3.8
137.09581	1.1
137.13217	4.7
138.05423	0.6
139.11113	0.6
140.01073	0.8
145.06479	0.4
145.10085	0.5
147.04439	0.6
147.08011	2.6
147.11674	1.5
149.05934	0.5
149.13214	4.1
151.14668	0.5
153.12726	2.4
161.13171	0.8
163.07526	0.8
163.14787	1.2
165.09146	1.7
165.12766	0.4
167.14330	0.8
171.13794	0.5
174.97673	1.0
174.99190	17.0
175.07529	0.5
175.99487	0.4
177.16376	0.7
179.14339	0.5
180.10236	0.6
183.10204	0.6
189.16371	0.5
191.17967	1.1
191.66324	0.4
201.58394	0.5
203.07027	0.5
205.19449	0.5
207.08090	0.7
210.08609	0.7
216.01814	0.5
217.19331	0.6
234.06619	0.7
235.07501	0.9
237.09123	0.5
245.06035	0.4
249.09125	1.2
250.99991	3.2
253.08586	0.6
261.25684	0.7
267.10251	0.8
273.25708	0.9
277.08664	1.3
279.26956	0.5
283.09976	0.4
291.26773	2.3
295.09598	0.9
309.11078	0.6
309.21658	0.5
309.27795	1.2
311.87497	0.5
317.64978	0.4
327.04837	0.5
327.12167	4.3
327.22769	0.6
328.26004	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.2
55.01860	3.5
55.05505	3.5
57.03413	1.8
58.06592	3.4
59.04986	6.4
67.05495	3.4
69.03409	1.8
69.07053	2.6
69.37688	1.7
69.38105	2.5
70.06584	3.3
70.18366	0.5
71.04976	1.7
72.08140	7.4
73.02884	1.3
73.06545	0.5
73.42705	0.4
74.00646	1.1
76.02200	1.0
77.01549	0.5
79.05476	14.3
81.03398	2.2
81.07036	22.9
82.06558	1.5
83.04987	2.3
83.08601	3.6
84.04484	1.1
84.08117	2.8
85.02876	1.5
85.06533	1.1
86.09676	2.0
87.04443	2.8
88.02181	0.6
88.03956	1.0
89.05476	0.7
89.06015	10.1
90.06326	0.4
91.05472	7.5
93.07025	16.7
94.06519	0.6
95.04941	2.2
95.08596	3.4
97.02869	1.0
97.06484	1.3
98.06030	5.0
98.98444	100.0
100.07625	1.1
103.05432	1.0
105.00068	0.8
105.04489	0.6
105.07007	16.8
107.04932	7.0
107.08567	18.9
108.08091	2.0
109.02870	0.6
109.06480	1.4
109.10150	0.9
110.06030	0.7
110.07115	0.5
112.07581	0.5
112.11246	0.9
113.77611	0.4
115.05445	0.5
116.07056	1.0
116.99458	2.8
117.05585	0.6
117.06991	1.6
117.09074	0.5
119.08553	16.2
120.01157	3.2
120.08089	1.1
120.08869	0.6
121.06494	1.8
121.09309	0.9
121.10121	11.4
122.02719	6.0
122.03576	1.0
122.06024	0.8
123.04395	0.6
123.08028	1.1
123.11691	1.1
124.07576	2.2
125.05967	0.7
125.09621	1.7
125.10727	3.5
126.09129	19.1
127.09484	0.6
128.07037	0.8
129.07001	1.0
130.04964	0.8
131.08537	10.7
132.08897	0.6
133.06467	0.8
133.08575	5.1
133.10069	4.0
134.02670	0.7
135.08000	1.8
136.07536	1.1
136.76541	0.5
137.05946	13.8
137.09579	1.2
138.05371	0.8
138.06293	1.1
139.11130	2.6
140.00983	0.8
143.08548	1.1
143.11769	5.9
144.10150	3.4
145.06377	0.5
145.10071	1.9
147.04381	1.4
147.08017	3.9
147.11673	3.7
149.09579	9.4
150.09145	0.8
151.07544	0.7
151.09802	1.4
154.12366	0.6
156.09323	1.1
159.11627	0.7
161.05887	2.4
161.09558	0.6
161.13203	17.1
162.05769	1.0
163.07475	1.3
164.09273	1.2
165.05437	0.7
165.06955	0.7
165.09082	2.6
167.10603	1.1
169.09686	1.0
171.11613	2.3
172.03934	1.4
173.05956	2.0
174.99200	15.5
175.07475	1.1
175.99467	0.9
177.05417	0.8
177.11223	1.7
178.05028	0.6
178.12238	1.6
179.06987	2.7
188.04704	1.2
189.12700	32.9
193.06306	0.5
195.12227	3.8
203.06978	3.6
204.06508	2.3
206.04459	0.8
206.15358	1.9
207.08064	0.7
207.13766	21.8
207.15730	1.1
221.06044	1.5
224.16408	40.7
225.09116	0.7
225.16708	1.7
227.06981	0.7
234.06668	0.8
235.07455	1.2
238.18089	0.7
239.11826	1.3
242.08286	0.8
247.07524	1.4
249.09015	1.1
250.99930	3.6
251.07019	0.8
252.07790	0.7
253.08585	1.8
253.16353	1.0
265.08539	0.5
267.10910	1.0
277.08514	1.5
285.11151	1.7
291.20569	1.9
295.09860	1.5
299.13492	0.5
309.11450	1.5
309.21649	4.3
310.20038	36.8
311.20367	4.0
318.21793	1.4
327.05023	1.2
327.12296	12.4
327.22702	69.8
328.15695	32.0
328.22726	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	327.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.4
53.72851	0.3
55.01860	0.8
55.05500	2.9
56.05025	0.5
57.03412	0.3
57.07058	0.3
58.06589	0.3
59.04972	0.5
60.04501	0.5
67.05488	0.4
68.28194	0.3
69.03403	0.9
69.07053	0.9
70.06572	4.8
70.55128	1.0
72.08138	6.9
73.02886	0.7
73.06536	0.6
74.02425	1.0
74.06049	0.6
74.25319	0.3
76.04774	0.3
77.01550	0.6
79.05480	1.5
81.03403	0.4
81.07032	1.0
82.06567	5.4
83.04966	0.5
83.06092	0.3
83.80708	0.3
84.04477	1.3
84.08127	5.2
85.02882	1.0
86.09689	7.2
87.04424	1.0
88.02192	0.4
88.03940	0.7
89.06010	35.4
91.05459	3.7
93.07025	2.8
95.04940	1.2
95.08591	0.6
96.08119	1.0
97.02875	0.8
97.06535	0.7
98.98444	100.0
100.07597	1.2
100.23102	0.3
103.03915	0.7
103.05472	0.5
105.07032	1.0
107.04931	1.0
107.07031	1.5
107.08559	1.4
109.02847	0.4
109.05207	0.3
109.06431	0.7
110.06021	0.6
110.07135	1.1
111.04381	0.6
111.91521	0.3
112.07594	0.7
115.05460	0.4
116.07063	5.3
116.99469	3.7
117.07005	0.7
119.04872	0.7
119.07251	0.5
119.08549	4.4
120.08074	3.5
121.02792	0.4
121.06509	0.6
121.10122	0.4
122.02692	0.7
123.04394	0.5
124.07507	0.6
125.05971	0.4
127.03886	0.7
128.06128	0.3
128.07051	7.4
129.06993	0.3
129.10220	0.8
130.08670	1.4
131.04868	0.5
131.07024	0.4
133.08572	18.6
133.10118	0.6
134.08868	0.5
135.08044	0.9
136.07541	0.7
137.05946	2.6
137.09599	0.7
138.05423	0.7
138.06410	0.4
139.03780	0.4
140.01028	0.5
146.05995	0.5
146.08107	1.1
147.04391	0.8
147.08029	1.8
147.09027	0.4
147.11313	0.4
149.05946	0.7
151.03883	0.9
151.07503	0.4
158.08105	2.0
161.05948	0.8
161.09535	0.6
163.03677	0.4
165.05435	0.6
165.09071	0.7
166.08649	0.5
169.17874	0.3
173.05931	0.3
174.99194	16.6
175.07544	1.1
175.99561	0.4
177.05472	1.6
177.11177	4.0
178.03119	0.5
179.06976	0.4
180.51878	0.3
182.04909	1.2
185.04457	0.4
185.12900	0.5
185.16437	2.0
195.12251	0.6
203.07024	1.3
206.04359	0.4
206.08076	1.9
206.11826	0.4
207.06422	0.6
207.74448	0.3
208.02835	1.0
213.15926	1.4
215.13893	0.4
221.13812	0.4
224.07571	0.4
231.06287	0.3
238.14281	0.4
239.14937	1.0
245.08060	0.4
249.07399	0.5
250.99951	4.4
267.08478	0.4
281.09189	1.3
283.17419	0.7
295.09561	0.5
310.16440	1.5
310.19775	0.6
327.08810	0.5
327.11996	1.7
327.19937	2.4
327.23315	3.5
328.13861	0.5
328.17480	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	327.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
53.91719	0.4
55.01865	2.2
55.05500	1.0
56.05018	0.7
59.04988	3.2
60.04521	0.5
67.05494	0.8
69.03423	1.0
69.07052	1.0
69.18822	0.4
70.01153	2.0
70.06580	3.2
71.04985	0.7
72.08143	8.1
73.02912	0.6
73.06548	0.6
74.79326	0.4
77.01576	0.6
79.05490	1.5
80.04981	0.5
81.03393	1.2
81.07056	2.3
82.06583	0.4
83.04950	0.9
84.04486	0.8
84.08129	1.8
85.02892	1.5
85.06491	0.4
86.09702	1.3
87.04456	4.9
89.06016	55.8
90.06322	0.6
91.05468	3.5
92.05779	0.4
93.07015	3.4
95.04950	1.5
95.08591	1.7
96.08118	1.8
97.02866	0.6
97.06499	0.5
98.06046	0.5
98.98449	100.0
99.04431	1.4
100.07562	0.5
103.03924	6.9
103.07549	0.9
105.07011	1.3
107.03452	0.4
107.04948	1.0
107.07058	1.6
107.08576	1.3
109.06524	1.0
110.05968	0.5
110.07152	0.6
110.08873	0.4
112.07566	0.6
112.11224	0.6
113.05973	0.5
116.07076	0.7
116.99503	2.6
117.03354	0.6
117.05544	1.4
117.06982	1.0
119.04897	0.8
119.08559	5.2
120.08087	1.1
121.02822	0.4
121.06523	0.5
121.08536	1.0
123.04377	0.6
123.08053	0.7
123.11711	0.4
124.02127	1.1
124.07510	0.5
125.09576	1.2
127.06703	0.4
128.01109	0.4
128.07042	0.5
129.10225	0.6
130.08640	0.9
131.07004	1.8
133.02774	0.5
133.08580	31.2
133.10164	1.2
134.04601	1.6
135.08061	0.6
135.75180	0.4
136.07573	0.8
137.05965	2.5
137.09639	0.9
138.05402	0.5
140.01007	0.5
140.60648	0.4
145.02887	0.7
146.03148	0.6
147.04369	1.6
147.06453	0.7
147.08028	2.9
147.11601	0.4
149.05998	0.6
149.09647	0.7
150.03682	1.7
151.03889	0.6
151.07515	0.6
151.11247	0.5
152.14319	1.2
161.05963	0.7
161.09554	0.5
165.02283	0.9
165.05446	0.4
165.09081	1.2
166.08527	0.5
173.05936	1.3
174.99197	16.8
175.11130	0.7
175.99588	0.6
177.05417	1.0
177.11182	7.9
178.03206	0.7
178.05769	1.2
179.05806	0.7
179.07204	0.4
179.08525	0.4
180.06311	1.1
182.04932	7.5
195.12241	1.4
195.98050	0.4
196.66035	0.3
203.07037	1.0
203.10664	0.6
205.11223	0.6
206.01303	0.5
207.12234	1.8
208.02863	7.1
221.13708	0.9
222.18474	1.3
223.12505	0.5
231.48395	0.4
235.11679	1.1
238.14378	0.5
239.14824	1.2
240.19510	3.9
250.99954	3.5
253.12767	2.1
267.06985	0.4
277.08600	0.5
283.17340	1.3
309.21753	0.6
311.16968	2.7
311.26785	1.1
318.21570	0.9
327.08578	1.9
327.12238	1.6
327.14511	0.6
327.19614	4.1
327.23245	0.8
327.28262	0.5
328.08398	0.5
328.17734	2.3
328.20575	0.5
328.29483	4.2
329.39969	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1428
Annotation	(+)-Macrosphelide C
Peak:m/z	Relative Intensity
53.03928	1.5
55.01850	2.3
55.05504	3.9
57.03408	0.7
57.07054	2.3
58.06584	0.8
58.35443	0.5
59.05003	3.0
65.03908	0.7
67.05490	11.0
68.99758	1.8
69.03414	20.0
69.06713	1.0
69.07053	11.1
70.06579	1.0
70.15535	1.2
70.15958	2.2
71.04976	1.2
72.08147	1.1
73.02872	0.9
79.05477	5.7
81.03394	0.9
81.07037	17.4
83.04970	14.3
83.08608	5.2
84.08153	0.8
85.02863	1.1
85.06529	4.3
86.09689	1.3
87.00822	5.0
87.04457	4.0
89.06013	1.2
90.01869	1.0
91.05462	7.8
93.07022	44.5
95.04953	5.9
95.08586	20.0
96.08879	0.6
97.06515	5.5
98.06018	1.0
98.98444	100.0
99.04426	0.8
99.08073	2.3
101.05994	4.4
103.05444	1.3
105.07021	4.9
107.04944	2.7
107.08577	8.7
109.06490	6.5
109.10124	6.2
111.04419	2.0
111.08060	14.6
111.09192	0.9
115.03917	1.7
115.07541	1.6
116.99445	3.6
117.07019	2.9
119.08560	4.8
121.06476	12.3
121.10123	9.6
123.08064	2.2
123.11671	1.8
125.05976	2.0
127.07539	1.3
129.05460	8.0
129.09102	4.5
131.04919	2.3
131.08537	2.0
133.06458	2.7
133.10089	6.6
135.08026	3.7
135.11665	12.4
137.02336	0.8
137.05952	7.4
137.09575	2.6
139.03882	2.3
139.07512	17.5
139.08580	1.3
140.01030	1.0
143.07031	2.9
144.09264	1.2
145.10069	1.4
147.08008	2.2
149.05952	7.8
149.09569	1.3
149.13237	4.7
151.07602	0.8
151.11142	13.6
157.04930	0.7
157.08554	5.9
159.08043	0.8
159.11649	7.7
161.02312	0.8
163.07535	5.2
163.11185	1.9
165.09088	1.1
167.07016	2.8
169.75880	0.7
171.06485	0.9
174.99188	19.8
177.01819	1.4
177.12689	15.5
183.10120	0.8
185.08044	1.7
187.11160	1.3
195.13762	30.4
195.18565	1.3
196.14177	1.5
197.06058	0.8
197.12776	1.1
205.12161	4.1
223.13242	10.2
225.05408	0.7
225.10211	1.9
241.14288	48.6
242.14709	2.0
250.99988	3.3
253.04929	1.3
253.07333	0.6
253.09705	10.3
254.09903	1.0
281.04480	0.9
281.22177	3.7
291.12244	1.1
295.13239	1.3
299.05508	1.4
309.13263	30.1
310.13690	1.7
312.10791	3.8
327.04993	19.7
327.14246	55.5
327.22653	32.8
328.05377	1.8
328.14365	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	326.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.7
55.05500	2.3
57.03410	0.6
67.05496	7.6
69.03426	0.6
69.07056	2.7
69.76870	2.4
71.04968	1.7
71.08628	0.4
72.08145	1.0
77.01590	0.6
79.05481	3.1
81.03377	0.4
81.07040	7.3
83.04964	1.6
83.08595	0.6
84.40871	0.4
85.06523	1.2
90.00835	0.4
90.12176	0.3
91.05455	6.0
93.07024	4.0
95.04976	1.1
95.08592	2.2
97.06506	0.9
98.98449	100.0
99.04439	1.1
99.08070	0.5
100.07623	0.4
105.07021	6.5
107.08575	8.5
109.06500	1.6
109.10137	14.5
111.08054	0.6
116.99495	4.1
117.07034	0.4
119.08584	1.0
121.06499	0.6
121.10083	0.9
123.11710	1.7
125.09591	0.7
127.07517	0.8
131.08553	0.9
133.10104	16.9
134.10402	0.7
135.08020	0.5
135.11635	0.8
136.06805	0.4
137.09587	0.5
140.01009	2.4
143.08618	0.5
144.95921	0.4
145.10088	1.0
147.08015	0.5
149.09601	0.6
151.11165	12.1
161.09612	0.7
165.12752	0.4
169.12198	5.0
174.99199	18.2
179.10725	1.1
197.11699	0.4
215.12767	1.7
216.01874	0.5
224.49185	0.4
250.99974	4.6
263.20117	0.9
273.18509	2.1
290.21863	0.8
291.19495	3.2
306.56857	0.4
308.22986	1.6
327.23294	0.5
327.33701	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
55.01866	2.2
55.05502	2.7
57.03419	0.8
58.06585	0.7
67.05489	2.4
69.03419	1.1
69.07059	5.4
69.42335	2.7
70.06583	1.4
70.06986	0.3
70.07390	0.7
70.62658	0.3
71.04980	2.0
72.08143	23.1
73.02886	0.4
73.08475	0.3
79.05483	1.2
80.05807	0.4
81.03403	1.1
81.07035	2.9
82.07398	0.5
83.04947	0.4
83.08607	1.7
84.08126	1.5
85.02885	1.0
85.06559	0.4
85.07651	11.4
86.06058	5.9
91.05461	2.4
93.07022	3.2
95.04977	0.8
95.08592	2.0
97.02885	0.8
97.06503	0.9
97.10101	0.5
98.09685	0.9
98.21429	0.6
98.98449	54.2
99.04406	0.5
100.07591	1.1
105.07024	0.9
107.04919	0.6
107.08570	1.3
108.08974	0.4
109.02869	0.3
109.06506	0.4
109.10143	1.3
110.09674	0.5
110.10456	0.3
111.04446	0.3
112.11225	1.1
115.08688	0.7
116.10680	0.5
116.99488	1.9
119.08567	3.7
119.84858	0.3
121.06510	0.3
121.10088	0.7
121.52422	0.4
123.11698	0.3
135.11671	1.0
137.05949	2.1
137.09630	0.8
139.11363	0.4
139.12274	2.0
140.01050	0.7
140.10667	0.5
140.14343	0.7
142.15918	0.6
147.08034	1.9
147.11659	1.1
153.12701	2.8
157.13348	1.4
159.11574	0.4
161.09590	0.4
165.09113	1.0
165.12711	0.7
168.17435	2.5
174.99197	8.4
175.11143	0.6
182.19115	0.6
196.16960	0.7
206.07272	0.5
209.20091	4.3
210.18587	0.6
211.21713	0.4
223.21675	0.7
224.08357	0.5
224.20070	1.5
235.07576	0.7
237.19594	2.8
239.21178	1.3
250.99937	1.9
255.20647	16.5
256.20877	0.8
263.06900	0.3
267.20624	0.4
277.08585	0.5
281.25818	7.5
282.26160	0.6
308.26694	0.6
309.25302	63.2
310.25638	4.4
326.27954	100.0
327.04852	0.5
327.12207	1.8
327.18195	0.6
327.28293	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	325.2731
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
53.03935	1.2
55.01841	0.8
55.05502	14.8
56.96557	1.0
57.03419	2.4
57.07063	4.4
57.07306	0.7
59.04988	2.0
65.03930	0.8
67.05498	10.1
69.03429	3.4
69.07056	100.0
70.06568	0.8
70.45053	1.6
71.04974	3.1
71.08624	1.8
72.08150	1.8
73.02900	0.8
73.06538	1.1
73.61189	0.8
79.05488	5.8
81.03408	1.6
81.07043	35.0
82.06602	0.7
83.04972	2.7
83.08602	8.4
84.08142	1.7
85.02885	4.3
85.06534	5.9
85.06987	1.1
85.10133	0.8
85.97646	0.7
86.09711	1.1
91.05450	4.3
93.07027	13.0
94.06546	1.3
95.04926	3.5
95.08590	30.3
97.02879	0.8
97.06510	5.6
97.10146	4.1
99.04414	0.9
99.08076	7.6
100.07617	2.8
100.11259	0.9
101.06004	3.6
105.07017	6.8
107.08574	9.7
109.02903	1.1
109.06524	2.2
109.10137	18.7
110.06025	7.8
111.08060	4.2
111.10931	1.3
111.11703	25.9
111.15464	0.7
113.09656	1.3
115.07574	0.8
116.98605	1.0
117.03377	0.9
119.04854	0.8
119.08574	5.3
119.73965	0.7
121.06499	0.9
121.10123	13.2
122.06042	3.4
123.08062	1.8
123.11681	9.1
124.07581	4.8
125.05946	0.8
125.08372	3.1
125.13254	1.3
127.03933	2.1
127.11224	2.1
129.12772	1.9
131.08568	2.1
133.02847	2.0
133.06389	0.9
133.10147	3.1
135.04417	1.3
135.08089	1.2
135.11678	6.1
137.06000	2.4
137.09625	2.1
137.13271	4.3
138.05447	1.0
139.06296	1.6
139.11157	21.9
140.07091	1.2
145.03014	0.8
145.04955	1.1
145.10132	3.2
147.11700	3.2
149.05922	0.9
149.09573	4.4
149.13220	5.1
151.07645	0.7
151.11194	1.7
151.14815	4.3
153.12741	3.0
155.10643	1.2
157.12215	4.2
159.11710	3.3
161.09642	0.7
161.13286	2.7
163.03903	3.9
163.07574	1.3
163.14859	2.2
165.12787	2.5
167.14301	2.7
172.13313	1.9
173.13277	1.4
175.07489	1.4
175.14970	1.0
177.12799	1.4
177.16388	1.2
179.14275	4.9
187.14836	0.8
189.16420	1.6
191.08412	0.9
191.17937	0.9
193.32521	0.7
201.05562	2.1
205.06512	1.0
222.06575	0.8
233.18967	0.9
237.09134	0.8
237.18587	0.9
246.61095	1.5
251.07056	0.8
251.20221	0.7
263.11819	2.0
263.23813	1.2
265.08533	1.5
279.11154	0.9
289.25220	6.3
293.08215	1.5
295.26385	2.8
297.11615	1.2
300.64264	2.6
307.09805	0.8
307.26245	53.3
308.26797	1.0
309.12506	2.7
323.14099	0.8
325.07532	1.0
325.10486	4.4
325.27188	13.2
326.11475	1.0
337.12045	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	326.0866
Annotation	Pancratistatin
Peak:m/z	Relative Intensity
53.03925	0.6
55.01863	1.7
55.05489	0.8
56.05031	0.5
57.03421	1.8
57.07071	0.4
60.04500	0.5
65.03925	2.1
67.05489	1.2
68.99778	0.5
69.03411	1.9
69.07056	1.7
70.06580	5.6
71.54882	0.7
72.08141	6.1
73.02945	0.3
79.05475	1.4
80.04990	0.7
81.03392	1.1
81.07042	1.1
82.04173	0.5
83.01325	0.5
83.04964	0.4
84.02099	0.9
84.04480	1.1
84.08135	2.3
85.02884	2.7
85.06482	0.5
86.06068	0.7
86.09673	2.0
88.02177	0.5
88.03986	0.7
90.03436	3.3
91.05453	2.2
92.04968	1.1
92.05777	0.6
93.03392	0.9
93.07043	1.0
94.06528	0.6
94.07365	0.6
95.04951	3.1
95.08581	0.8
96.04465	0.5
97.02880	3.1
97.06497	0.6
98.06044	0.8
98.98447	100.0
99.04447	0.4
103.05437	0.6
104.04999	0.5
105.07016	0.9
106.06538	0.4
106.07327	0.8
107.03687	0.8
107.04932	1.6
107.08598	1.1
108.04463	1.3
108.08913	0.6
109.02858	0.8
109.05226	0.5
110.03634	1.4
110.06039	0.7
110.07140	0.8
111.04420	1.2
112.03956	0.6
112.07621	0.5
116.99480	4.1
117.03372	0.6
117.06943	0.5
117.92725	0.4
118.02874	3.1
118.03639	0.5
118.06542	0.7
119.04921	1.2
119.08535	0.8
120.00816	0.4
120.04432	1.1
120.05221	0.6
120.08067	0.7
121.02805	0.4
121.06456	0.8
121.10033	0.4
122.02375	0.5
122.05973	0.9
123.04419	1.3
123.08028	1.0
124.05199	1.1
124.07572	0.9
124.08411	0.6
125.04679	0.5
125.04955	0.5
125.05959	6.5
125.06834	0.5
127.03960	0.6
129.10237	0.7
130.08588	0.4
131.04924	0.7
131.08669	0.4
132.04448	0.6
133.02774	0.5
133.05301	0.5
133.06476	0.5
133.10091	0.6
134.05977	0.6
134.10455	1.0
135.03140	7.9
135.04355	0.8
135.08044	1.0
136.03886	4.7
136.07526	1.0
137.04697	1.7
137.05972	1.4
138.05405	0.7
140.07030	2.2
141.05475	0.7
145.02838	1.2
145.06490	0.9
146.05992	1.1
147.03334	0.7
147.04390	3.7
147.07982	0.7
147.11583	0.7
148.03809	0.8
148.04765	1.4
149.04793	0.7
149.05923	0.8
150.01854	0.6
150.05469	9.1
150.06645	0.7
151.03845	0.9
151.06094	0.4
152.07068	2.8
153.05444	1.6
158.10402	1.0
159.04376	0.6
161.04649	0.6
161.05917	0.6
161.09433	0.7
162.05513	1.2
162.09937	1.2
163.02644	1.8
163.03905	1.0
163.06227	0.9
163.07524	0.6
164.03391	0.7
164.06960	1.0
164.11530	0.7
165.04192	2.8
165.05414	0.7
168.06531	4.8
171.06552	0.5
173.05922	0.5
174.99196	19.0
175.11154	1.1
176.03435	0.9
176.11514	3.7
177.05461	1.8
178.04950	46.9
179.05756	2.0
180.03995	0.4
180.06509	7.1
180.08156	0.4
180.08812	0.8
180.11006	0.8
182.04964	0.7
182.08095	2.2
190.05055	0.4
191.05713	0.6
192.06432	1.0
193.03479	0.5
194.07999	0.5
194.10271	0.8
196.06065	0.8
202.04855	0.6
204.06509	0.7
204.10951	1.5
206.04424	0.7
206.08134	1.1
208.03000	0.8
208.06010	16.2
208.09541	1.2
209.03177	1.2
209.06485	0.4
210.03886	1.5
211.14461	0.4
213.12338	0.9
218.10078	0.5
220.05911	0.7
221.11696	0.6
222.07581	0.7
222.12106	1.2
224.05492	1.4
232.06122	0.7
234.03908	2.3
234.07550	3.4
236.05536	3.3
236.09149	3.1
238.14359	2.9
238.17934	0.8
248.11075	0.8
250.07118	0.9
250.99944	4.8
252.04991	58.4
253.05260	2.5
262.07059	7.5
264.08630	1.7
266.06464	1.7
270.06134	0.5
278.06552	4.6
280.08176	2.7
290.06543	1.7
308.07568	7.4
308.10809	0.6
309.21631	1.3
318.21884	0.6
326.08630	78.2
326.24310	2.6
326.27832	0.6
327.08902	4.8
327.15344	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52285	3.1
56.96555	3.8
69.03413	5.0
69.57809	24.9
69.58147	5.1
71.01345	5.1
72.08131	5.0
73.38819	3.9
80.05013	3.7
83.04971	5.4
84.04482	13.8
84.08127	4.1
85.02885	8.7
88.02198	12.3
96.92817	3.6
97.02863	9.0
98.21389	4.4
98.98444	18.9
102.05550	3.7
113.03478	5.7
130.04958	8.3
134.02696	13.0
136.03726	3.4
145.08217	3.5
152.91675	3.2
155.10132	3.4
157.08041	4.5
159.06119	5.6
167.06747	4.2
169.08151	5.5
171.06218	5.3
171.09793	3.8
176.98221	4.3
181.06082	4.2
181.08307	4.2
182.11293	7.1
185.07692	9.6
196.09280	4.5
198.10831	9.3
199.09311	5.5
200.98303	11.4
208.09312	4.7
210.10913	4.3
211.04218	3.7
211.09120	4.1
221.01779	5.3
223.01645	6.9
224.08772	3.5
224.98506	7.3
228.08517	4.3
236.10056	7.2
242.09880	15.9
242.99245	18.0
243.08334	4.9
246.09648	9.5
255.08163	4.3
256.96622	5.3
257.07553	4.9
260.10519	3.9
261.02689	7.9
261.53607	4.6
272.10938	11.1
280.12341	5.0
280.61380	3.2
281.09775	3.9
282.12857	7.2
298.12671	4.4
303.01343	4.4
308.12173	15.7
320.95908	7.3
325.97592	3.7
326.11917	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2729
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
52.87501	0.8
53.03943	2.2
55.01875	1.2
55.05499	17.0
57.03426	3.0
57.07064	7.2
57.63981	0.8
59.04986	2.0
64.48354	1.0
67.05493	15.7
69.03413	3.8
69.07054	100.0
70.07365	1.4
71.04980	5.1
71.08621	2.8
72.08153	1.8
73.06523	1.1
79.05477	8.7
81.03412	2.3
81.07040	49.0
83.04976	3.9
83.08595	12.1
84.08126	1.2
85.02898	2.2
85.06522	6.7
88.03979	1.8
91.05468	8.1
93.07026	19.2
95.04961	8.0
95.08591	41.9
97.06492	7.7
97.09599	0.8
97.10125	4.7
99.04416	1.7
99.08070	7.2
100.07591	1.5
101.05991	3.3
103.05451	1.3
104.51034	0.9
105.07012	11.6
107.04979	1.0
107.07861	1.3
107.08578	17.8
109.02866	1.7
109.06499	4.3
109.10132	26.4
111.08071	6.4
111.11700	24.9
113.05990	1.2
114.62637	1.0
117.06994	1.4
119.08553	9.6
121.06462	1.6
121.10117	17.4
123.08048	2.2
123.11692	19.8
124.03954	1.0
124.64539	0.9
125.09599	2.2
125.13212	1.0
127.11108	1.9
129.12737	2.2
131.04892	1.0
131.08553	2.7
133.02820	3.7
133.10110	8.7
135.08020	1.9
135.11670	9.2
137.05951	4.3
137.09608	1.6
137.13245	7.1
139.11148	22.3
143.08578	1.0
145.10107	3.9
147.11690	6.5
149.09618	2.1
149.13235	8.0
151.11166	3.3
151.14784	5.7
153.12704	3.6
155.10612	2.0
157.10127	1.1
157.12239	3.9
159.11664	5.2
161.13245	4.4
163.03891	3.1
163.07544	1.5
163.11154	1.4
163.14774	3.5
165.12741	3.3
167.14235	2.0
173.13176	1.4
175.07510	2.3
175.14799	2.0
177.12761	1.7
177.16309	1.9
179.14281	5.2
179.17946	0.9
183.13911	1.0
187.14819	2.0
189.16360	3.2
191.17993	1.2
201.05560	1.4
203.17844	1.3
215.17889	2.0
217.19498	0.9
222.06891	0.9
229.12485	1.3
232.93539	1.2
237.09636	1.0
237.18564	1.1
245.22652	1.4
263.23648	1.1
265.08340	1.1
271.24149	3.0
277.25143	1.5
289.25208	10.0
293.08118	2.2
295.26285	2.6
307.26248	46.4
308.26660	1.7
325.07361	0.9
325.10541	6.2
325.21469	2.1
325.27542	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	325.1388
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
55.05499	0.4
56.05007	0.5
56.96557	0.6
57.03428	1.1
60.39436	0.3
61.02901	0.9
68.05023	0.4
68.08610	0.3
69.03423	2.0
69.07059	0.4
69.61249	1.7
70.06582	3.3
71.04998	0.3
72.08140	1.6
73.02898	2.3
81.03413	0.4
81.07069	0.3
84.04485	1.2
84.08129	4.1
85.02897	2.2
86.06042	2.3
86.09692	0.5
87.04439	0.5
88.02175	0.9
89.03889	0.3
91.05471	1.6
94.44285	0.3
97.02876	1.1
98.06077	0.5
98.20747	0.4
98.97563	0.8
100.07590	0.6
102.05521	0.4
105.06999	0.4
107.05027	0.3
109.02908	0.4
109.06518	0.3
110.07159	1.4
115.04002	0.3
117.03320	0.4
118.06531	3.6
119.01878	0.4
119.04964	0.6
119.54830	0.3
120.42958	0.3
121.06535	0.5
123.04422	0.4
123.08075	0.4
127.03879	1.0
129.10228	1.5
130.08540	0.4
131.12910	1.0
132.06548	0.6
133.03439	0.5
133.07562	3.1
133.10094	0.7
134.02737	0.4
136.06183	0.5
136.07549	1.1
145.07587	100.0
146.08333	2.7
147.04366	1.9
147.09172	0.5
148.03860	0.6
150.05476	0.9
152.07051	0.7
153.05429	0.4
153.95685	0.4
156.07654	0.6
157.04491	0.4
158.06316	0.3
160.64145	0.3
161.05981	0.4
161.09608	0.7
162.05464	0.6
163.08640	59.2
164.07135	0.4
164.09077	0.6
175.11179	0.8
176.07071	0.3
177.05452	1.3
192.03981	0.3
193.09705	0.4
194.08113	0.5
203.10797	0.6
205.05437	1.0
205.55618	1.0
206.05681	0.3
207.05090	0.4
214.05974	0.3
214.56157	0.9
214.98799	0.3
221.11641	0.5
237.02750	0.6
258.56866	0.6
259.06116	0.7
325.13882	86.2
326.08365	0.5
326.14148	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	325.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	2.3
55.05495	17.0
55.20768	2.2
57.03416	8.8
57.03673	2.0
57.07068	22.3
58.06580	1.8
59.99484	1.8
65.03921	3.6
67.05493	84.1
69.07056	15.6
69.75809	3.6
69.76218	10.2
70.06561	6.3
71.04979	7.4
71.08602	7.5
72.08122	4.3
73.08495	2.0
79.05479	49.3
81.07041	92.0
83.04952	2.0
83.08591	7.7
83.34035	1.7
84.81316	1.7
85.02885	6.2
85.06512	6.2
85.10154	2.4
88.07621	7.6
91.05457	24.4
93.07029	69.7
94.68330	1.8
95.04929	5.7
95.08591	60.5
97.02888	2.0
97.06513	5.7
97.10153	10.8
99.08067	8.7
102.09184	3.3
105.07013	19.4
107.08581	40.9
109.06477	2.8
109.10131	38.0
109.10829	3.8
109.54449	2.0
111.08052	4.0
113.09616	4.8
117.06995	12.7
119.08556	16.0
121.10120	51.5
123.08042	2.0
123.11681	26.6
125.09622	9.7
131.08539	23.2
131.55707	2.6
133.10098	22.3
135.11661	47.8
137.09592	3.6
137.13232	7.3
139.11156	3.3
145.04901	2.3
145.10085	20.2
147.11662	13.7
149.02312	17.7
149.09579	4.6
149.13228	20.3
151.11168	3.9
159.11658	21.2
161.13257	4.7
163.11166	4.1
163.14828	3.4
173.13237	16.5
175.14717	2.5
177.12772	4.0
187.14796	6.3
189.11183	4.2
189.16362	4.1
191.17952	2.2
193.04922	46.1
194.05136	2.2
195.13919	2.0
205.15866	3.2
205.19507	12.7
210.64017	11.6
215.17911	57.3
216.18259	3.8
216.50804	1.8
217.19321	2.4
224.65579	11.2
225.15894	2.1
228.13844	2.5
228.23184	6.4
229.56145	2.0
233.18948	77.6
234.19376	2.9
235.20474	2.8
251.20064	6.1
256.26300	5.6
262.10651	2.5
275.20126	3.2
280.11664	5.4
281.49185	2.2
293.20993	4.3
307.22623	13.1
325.26401	100.0
325.76257	36.3
326.26956	2.0
339.61575	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	325.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57283	0.4
53.03917	1.6
55.01860	2.6
55.05497	0.9
57.03430	3.2
59.04975	0.9
61.02900	1.1
67.05473	1.0
69.03419	15.7
69.07053	1.1
69.44689	3.4
70.06576	2.0
70.90798	0.3
71.01319	1.5
71.04654	0.4
71.04980	5.1
72.08139	3.4
73.02879	1.2
75.04465	0.6
79.05489	3.5
81.03403	17.1
81.07015	1.6
82.06555	0.9
83.04940	0.8
84.04473	1.4
84.08128	4.0
85.02895	2.0
86.09697	2.2
87.04430	0.8
88.02187	0.6
89.03893	0.7
89.06001	0.9
91.05466	10.8
93.06487	0.5
93.07028	8.0
94.06538	0.5
95.01302	0.6
95.04941	1.6
95.08568	1.0
97.02879	0.4
97.06480	0.5
98.06062	0.7
98.21535	0.8
99.04438	7.1
100.07593	2.1
102.05540	0.8
103.03896	0.7
103.05427	1.2
105.03365	0.7
105.07018	2.2
107.04959	2.0
107.08549	1.1
109.02844	1.3
109.06496	0.7
109.10123	0.7
110.05982	0.5
110.07119	0.7
111.08025	0.5
112.11205	0.8
115.05479	0.5
116.04922	0.5
117.03361	1.0
117.05460	1.9
117.06973	0.9
118.06511	3.6
119.04943	2.2
119.08537	2.8
120.08066	1.2
121.06460	1.6
121.10124	9.2
123.08060	0.6
126.09187	0.8
127.03823	0.5
128.06982	0.4
129.06909	0.5
129.10188	1.1
130.04959	0.9
130.06502	0.4
131.08524	1.1
133.02824	8.5
133.10069	1.0
135.04385	1.0
135.07990	1.0
136.07536	0.9
136.36125	0.4
137.05946	5.6
137.09474	0.6
138.05409	0.5
139.07454	0.5
143.06946	0.5
145.02803	1.1
145.06505	0.5
145.07570	6.0
145.10078	0.8
146.03200	0.6
147.04428	3.7
147.05525	0.7
147.08008	1.7
147.09129	10.9
148.06094	0.8
149.05968	2.5
149.06940	0.4
149.09595	11.3
150.06717	1.4
152.16173	0.4
153.09088	0.6
158.03613	0.4
159.07913	0.6
161.05923	1.1
161.09616	0.6
162.07881	0.8
163.03896	2.3
163.07466	1.6
163.08664	1.2
165.05452	1.6
165.09158	0.5
167.07011	0.6
171.14900	0.4
173.05713	0.9
173.07085	11.1
175.03920	2.1
175.07474	0.6
175.08684	5.7
175.11102	0.6
177.05421	1.8
177.06830	0.5
178.05734	1.8
179.07082	0.6
181.04990	0.5
185.07199	0.4
190.20418	0.5
191.08118	100.0
192.08470	2.3
201.05441	2.0
205.06523	0.9
205.09853	0.7
213.10207	0.5
217.06410	0.5
219.07997	0.6
222.06706	0.6
222.14801	0.5
231.11238	0.6
233.05946	0.9
233.09134	1.2
234.06769	0.6
237.08949	0.4
249.05537	0.4
250.06096	0.5
261.05469	0.5
265.08530	1.3
271.10754	0.6
281.15015	2.2
289.11758	1.8
292.07208	1.3
293.08090	1.3
293.11639	0.4
298.28418	0.9
307.09857	1.3
307.12833	34.0
307.20178	1.3
308.13181	0.9
308.18616	0.9
325.10785	2.5
325.13925	42.7
325.21188	3.5
325.29413	1.0
326.14417	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	325.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.4
54.54791	0.2
55.01860	0.5
55.05497	0.4
57.03417	0.2
65.03923	0.5
67.05489	2.3
69.03411	0.6
69.07058	1.9
70.06561	0.6
70.46672	0.8
71.04964	0.4
72.08121	0.3
72.33970	0.2
77.03915	0.2
79.05470	0.9
80.04975	0.2
81.03398	0.4
81.07043	0.9
83.04960	0.4
83.08631	0.2
84.04507	0.3
84.08128	0.7
85.02888	0.7
85.06501	0.2
85.46148	0.2
86.06033	0.4
91.05461	1.9
93.07023	1.5
94.05952	0.4
94.06553	6.9
95.04949	0.9
96.04469	0.3
97.02859	0.4
97.06503	0.5
99.04417	0.3
101.02371	0.2
102.71238	0.2
103.05415	0.3
105.07016	1.6
106.06535	2.6
106.07244	0.3
107.04932	0.5
107.08582	1.4
109.06492	0.6
109.10149	0.6
110.05979	0.3
110.07164	0.3
112.07576	0.2
117.06964	0.4
117.09100	0.6
118.31651	0.2
119.01295	0.3
119.04900	1.0
119.08569	1.8
120.08057	0.2
121.06479	0.7
122.06005	6.0
122.06960	0.3
123.04374	0.7
123.08031	1.5
124.07518	0.5
125.05991	0.5
127.03918	0.4
129.06960	0.3
133.01643	0.2
133.02762	0.2
133.06467	0.6
133.07526	0.3
133.10103	2.8
134.06010	2.8
135.11638	0.4
136.07550	1.4
137.05974	0.3
137.09579	0.6
138.05429	0.6
138.10371	0.5
140.07028	0.3
142.07751	0.3
145.02847	0.4
145.06485	0.3
145.07663	0.2
146.03094	0.5
147.04395	1.7
147.07991	0.3
147.11678	1.8
148.03917	1.2
149.07069	3.5
150.05475	100.0
151.03885	0.5
151.05807	2.5
151.08630	3.6
152.07050	2.8
157.10097	0.8
159.11682	0.5
160.08813	0.4
161.05940	0.5
161.07068	1.3
161.09607	2.2
162.05490	0.4
163.03885	0.4
163.08604	0.3
163.11139	0.9
164.06990	0.3
164.09253	0.3
165.05408	1.3
168.06512	2.7
175.11157	5.9
177.05344	0.6
177.06622	0.7
177.12712	0.3
178.05809	0.8
178.07246	0.3
179.03383	0.7
179.08139	1.9
179.10579	1.6
185.09543	0.3
186.05785	0.4
188.08261	0.4
189.06529	1.0
193.12114	0.2
203.10654	2.7
207.07715	0.4
212.36345	0.2
217.06059	0.6
221.11700	1.8
233.05557	1.2
251.06645	0.6
289.11877	0.3
307.12909	0.6
325.10248	4.9
325.13824	0.8
342.99197	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.1
55.01859	2.9
57.03435	3.0
57.24160	0.4
59.04971	1.4
61.02892	1.3
65.76993	0.5
69.03419	15.2
70.04564	2.3
70.06562	0.8
71.01317	1.0
71.04977	4.9
72.08110	1.2
73.02879	1.7
76.75770	0.4
79.05469	0.8
81.02924	0.8
81.03406	15.4
81.07022	1.2
82.47565	0.4
83.04944	0.5
84.08131	2.9
85.02876	1.7
86.66542	0.5
87.04465	0.6
89.03878	0.8
91.05460	2.4
95.04900	0.9
98.20882	0.7
99.04440	6.6
103.03932	0.6
105.03374	0.6
105.07025	1.0
106.48415	0.5
107.04848	0.5
107.08551	0.4
117.03335	2.5
117.05468	3.1
117.06968	0.5
118.03664	1.8
118.06525	4.5
119.04875	1.0
119.08537	0.6
120.08047	0.7
121.06415	0.6
123.08075	0.6
133.02817	1.0
133.10014	0.7
135.08083	0.6
137.05957	1.6
145.02846	4.8
145.06538	0.9
145.07587	5.9
146.03151	6.8
147.04364	0.5
147.08005	1.1
147.09128	7.9
148.06227	0.5
149.05815	1.1
150.06328	0.9
158.87993	0.5
161.09613	0.5
162.07846	1.0
163.03897	0.9
163.07481	0.5
163.08646	1.1
163.35912	0.5
168.68143	0.5
173.05699	0.9
173.07076	10.3
173.09471	0.7
175.07367	0.7
175.08673	4.9
175.11130	1.9
177.05444	7.7
178.04144	0.6
178.05771	13.6
191.08118	100.0
192.08440	1.5
193.12219	1.3
205.09795	0.6
233.09204	1.3
250.05846	0.4
281.15009	0.7
289.11703	2.2
293.08090	0.7
307.12820	33.7
308.13348	0.9
313.86606	0.5
325.13895	35.7
325.20728	0.9
326.14267	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.4
53.00291	0.4
53.03931	1.6
53.38447	0.4
55.01859	1.2
55.05494	1.3
57.03413	1.2
60.25875	0.4
65.03945	0.5
67.05486	1.8
69.03417	4.5
69.33416	3.8
71.01337	0.9
71.27412	0.5
72.08150	0.6
73.02876	0.5
77.03883	0.7
79.05476	15.4
81.03396	0.7
81.07037	2.1
83.04965	0.6
83.13560	0.5
84.08138	0.8
85.02874	5.6
91.05462	14.9
93.03408	0.6
93.07024	50.3
94.07340	0.9
95.01315	3.5
95.04945	3.5
95.08576	4.7
97.02857	1.5
97.06470	0.6
99.00797	1.0
101.62647	0.4
103.05439	3.5
105.04486	0.6
105.07009	22.7
106.07794	1.2
107.04918	2.2
107.08565	6.2
109.02789	0.5
109.06528	2.1
111.04464	0.5
113.02338	0.7
115.05452	2.1
116.06210	1.3
117.07011	2.4
119.04929	0.5
119.08556	11.6
121.06496	4.7
121.10117	100.0
122.03632	1.2
122.10452	1.6
123.04411	0.5
123.08054	5.3
123.11643	0.5
125.02369	0.6
128.06216	1.1
129.06958	3.4
131.04901	3.5
131.08540	9.7
132.05669	1.6
133.02805	1.1
133.06561	0.8
133.07587	2.1
133.10114	1.2
134.07199	0.7
135.08026	0.8
137.04857	0.8
137.05945	15.5
137.09537	0.6
139.03873	1.1
139.11131	0.5
141.01796	8.6
141.06935	2.5
143.03412	0.6
145.06497	0.9
145.10059	0.7
147.04424	0.7
147.08002	6.4
147.11667	1.3
149.09586	83.4
150.09938	1.6
151.03935	0.5
151.07523	0.6
157.10046	0.9
159.08031	0.9
160.05171	1.7
161.05972	1.8
161.09584	1.4
163.03844	0.6
163.07509	4.2
167.10652	2.1
169.06404	4.0
173.09613	0.7
175.07506	25.6
175.11023	0.9
186.06638	0.5
187.07420	0.6
188.08328	0.4
189.07437	0.5
189.09010	2.1
191.10667	0.5
197.09497	0.4
201.05302	0.5
201.09084	2.2
203.10484	0.7
215.10626	1.7
221.11545	0.8
222.82753	0.4
233.05974	0.5
233.09660	0.6
233.11572	0.8
261.09106	0.5
279.12094	1.3
293.07983	0.7
293.11414	0.7
325.13263	13.2
325.20728	0.8
326.14462	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.0
55.01853	6.4
55.05501	5.9
55.23510	1.1
57.03416	3.8
59.04993	59.4
60.41157	1.1
61.07376	0.9
65.03926	2.3
67.05488	6.4
69.03412	8.0
69.07063	6.1
69.43905	7.7
69.44311	1.6
70.06589	1.9
71.04989	2.1
72.08129	2.4
77.76124	1.0
78.02200	1.4
79.05480	10.2
79.67975	1.2
80.52303	1.3
81.03397	4.0
81.07045	17.2
83.04983	4.2
83.08585	1.4
84.08118	3.1
84.36471	1.1
85.02895	4.3
85.06523	5.1
86.09706	2.2
86.20930	1.1
88.03970	1.7
89.06019	10.6
91.04887	1.7
91.05466	37.9
93.07030	42.6
95.04959	9.7
95.08609	7.4
97.02886	2.6
97.06519	1.6
98.21460	2.3
98.97589	1.8
99.04450	1.8
100.07604	2.5
103.05449	1.3
105.04485	2.6
105.07017	31.9
107.04942	4.1
107.08578	28.9
108.09303	1.1
109.02874	3.7
109.06510	13.1
109.10138	10.1
111.04449	2.8
111.08074	4.3
113.05970	2.0
115.05443	2.7
116.98630	1.2
117.07006	4.6
117.09108	12.1
119.04927	22.8
119.08569	20.1
120.08092	1.4
121.06491	17.1
121.10113	10.4
121.50047	1.1
123.04416	1.9
123.08052	20.6
123.11674	5.2
124.07555	1.7
125.09622	3.5
127.03839	2.1
128.06186	1.7
129.07008	1.9
131.04909	2.0
131.08553	6.1
133.02826	5.9
133.06468	5.3
133.08543	3.4
133.10110	68.9
134.10432	1.4
135.04390	2.0
135.08055	5.3
135.11647	6.9
136.08800	1.7
137.05965	17.7
137.09637	7.6
138.10345	9.5
139.11148	2.3
142.07761	5.5
143.08487	2.4
144.09352	2.8
145.06444	3.4
145.10121	3.7
146.07262	2.4
147.04385	43.5
147.08002	1.7
147.11665	15.7
148.06018	2.4
149.05945	1.2
149.09558	6.1
151.07492	4.0
151.09645	7.6
151.11063	2.3
153.09074	2.3
157.10106	30.7
158.38075	1.3
158.99716	1.4
159.11658	13.0
160.08781	9.7
161.05974	9.9
161.09595	47.4
163.03860	4.4
163.07492	3.9
163.11018	1.4
165.05452	36.5
175.07521	4.7
175.11160	100.0
176.11548	3.4
177.00768	1.7
177.12726	5.5
179.10648	45.4
180.11009	1.1
185.09622	2.9
188.08336	3.6
193.12273	3.2
201.05418	1.3
203.10648	41.7
209.13792	2.7
221.11687	47.4
222.12115	1.8
233.06133	1.6
251.11850	1.1
265.08603	1.9
269.88931	1.2
278.09464	1.6
279.11118	1.2
307.26306	1.2
308.88953	1.5
325.10626	2.6
325.14127	3.7
325.21313	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	324.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88261	0.3
54.37049	0.4
55.01851	0.6
55.05499	1.8
56.05037	0.4
57.03436	0.5
58.06591	1.3
58.83696	0.4
59.04977	0.4
67.05482	1.5
69.03391	0.4
69.07054	3.1
69.65506	1.1
69.65916	1.3
70.06578	5.2
70.07397	0.5
72.04504	4.6
72.08141	100.0
73.08476	1.7
79.05482	1.0
81.07046	4.6
82.06548	0.5
82.07371	0.5
83.04957	0.9
83.08581	0.9
84.04485	0.9
84.08131	5.9
85.02894	0.6
85.06563	0.6
85.93453	0.4
86.06088	0.4
86.09695	0.6
91.05451	1.4
93.04527	0.5
93.07015	2.0
94.07347	0.5
95.04963	0.8
95.08588	3.1
96.08145	1.1
96.08917	0.6
97.06549	0.5
97.08905	1.0
97.10159	0.6
98.09675	2.1
100.07598	80.3
100.11279	0.5
101.07916	1.6
105.03356	1.4
105.07001	2.1
106.03653	0.6
106.07334	0.4
107.08570	1.7
109.06483	0.6
109.10119	1.2
110.07147	3.0
110.09677	2.0
111.04438	0.4
111.08070	1.2
112.07525	0.4
112.11243	0.4
114.09147	1.8
119.04943	0.4
119.08570	1.4
120.53602	0.4
121.10126	1.0
123.08041	0.8
123.11681	1.5
124.07550	3.4
124.12025	0.7
125.09638	0.4
131.08582	0.5
133.02776	0.4
133.10124	1.4
135.08046	0.7
135.11685	0.4
137.05960	1.0
137.13197	0.6
139.11171	0.7
143.11714	0.6
145.10074	0.6
147.04427	0.5
147.11676	1.2
149.09543	0.8
149.13303	0.5
150.42546	0.4
154.12247	1.7
156.07649	1.5
157.13322	3.1
159.11674	0.5
161.09552	0.6
161.28635	0.4
163.11136	0.4
166.15904	1.3
168.17444	2.6
169.13333	1.4
171.13432	0.8
171.14902	17.1
171.37856	0.4
172.15227	0.8
175.11156	1.0
177.05371	0.4
181.51994	0.4
185.09589	0.5
185.13210	0.4
187.11223	0.4
194.19000	2.1
196.20575	0.7
203.10710	0.7
208.20570	21.7
209.20833	1.0
213.23238	0.6
221.11670	1.0
236.20084	1.7
238.21622	1.1
253.20041	0.7
253.22682	9.2
255.24269	2.0
278.18475	0.8
281.18530	0.7
306.25076	0.9
306.28632	0.5
307.27301	1.6
324.19031	1.5
324.30020	79.4
325.10797	1.2
325.30420	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	324.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.2
57.03418	0.2
58.30837	0.2
62.54363	0.2
62.70300	0.2
65.12715	0.2
69.03425	0.6
69.64874	0.7
69.65295	0.6
70.06573	0.5
71.04963	0.2
72.08125	0.5
81.03404	0.8
81.07057	0.3
82.06559	0.3
84.04475	0.4
84.08122	0.4
86.09692	0.5
89.03892	4.1
91.05457	0.5
93.07053	0.3
95.04910	0.3
98.21414	0.3
99.04427	0.3
102.05491	0.3
103.05452	0.3
106.04115	0.4
108.71854	0.2
110.06033	0.6
110.07130	0.2
117.03358	18.5
118.03680	0.6
118.06506	0.3
118.26409	0.2
119.04951	0.3
120.08142	0.3
121.06459	0.2
128.73616	0.2
129.10191	0.3
130.04971	1.1
133.02835	0.3
134.03633	1.2
135.04366	1.1
136.07552	0.3
140.07060	0.2
145.02817	48.4
146.03148	1.0
147.04391	0.5
147.09160	0.5
149.05946	6.3
150.06462	0.2
163.03912	0.5
172.07684	0.3
173.07063	0.5
175.08698	0.3
177.05432	100.0
178.05769	2.9
180.13785	0.5
186.05508	1.1
191.08122	5.2
217.62944	0.2
218.08170	0.3
228.06447	0.3
288.08795	0.3
306.09750	0.5
307.12842	2.2
307.20169	0.4
317.47510	0.2
324.10507	0.6
324.15598	0.3
324.22574	0.3
325.13934	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	324.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07042	0.5
70.20757	0.6
70.21158	0.9
78.04701	0.3
80.11754	0.3
84.04510	0.5
85.09265	0.2
85.98672	0.2
86.09679	0.6
89.03391	0.5
89.03898	5.3
89.04409	0.4
91.05463	0.5
93.07067	0.4
94.09223	0.2
95.04944	0.3
105.07020	0.4
106.04160	0.3
107.08579	0.3
109.06534	0.3
117.03357	21.0
119.04913	0.4
119.08524	0.3
123.08033	0.5
130.04958	0.5
133.10110	0.4
134.03618	1.6
135.04413	1.1
138.66321	0.3
145.02817	50.5
146.03175	1.3
147.04329	0.7
147.11681	0.6
149.05949	6.8
157.21341	0.3
161.09613	0.6
163.03928	0.6
165.05434	0.3
175.11165	1.9
177.05434	100.0
178.05772	3.5
179.10524	0.4
186.05452	0.6
191.08104	0.3
195.11171	0.6
203.10622	0.8
221.11787	0.6
324.10422	0.5
324.15738	0.6
325.13553	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2162
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
53.03933	0.7
55.05493	1.8
56.73555	0.5
61.81059	0.6
63.22293	0.5
65.03938	0.7
67.05484	2.4
69.07050	9.3
70.73211	1.7
70.73572	0.6
72.08138	0.7
79.05456	3.2
81.07033	7.7
83.04964	2.5
86.09689	100.0
87.10021	0.8
91.05466	8.7
93.07026	11.1
95.04946	2.6
95.08591	2.2
97.06498	0.7
105.07012	13.8
107.08556	3.8
109.06496	9.4
109.10171	0.9
111.08048	2.3
117.07050	0.6
118.39571	0.6
119.08568	5.0
121.10123	1.2
123.08051	0.9
123.11692	0.6
128.10693	5.0
129.06990	0.7
131.08493	3.5
132.10175	30.7
133.06432	1.4
133.10098	16.9
137.54247	0.6
147.11659	12.6
149.09561	1.5
149.13229	1.0
151.07509	3.7
151.11159	39.7
152.11528	0.8
156.10208	0.9
165.12733	1.7
175.11113	4.2
193.12238	3.5
254.87022	0.5
260.20029	6.6
275.67383	0.6
278.21109	34.9
280.12335	0.7
306.20523	7.5
324.21603	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2574
Annotation	Pacificanone A
Peak:m/z	Relative Intensity
55.01858	1.9
55.05495	13.2
57.03421	1.9
57.07063	6.7
57.66709	1.2
59.04966	2.9
59.49905	1.4
59.78153	1.1
63.03985	1.2
65.03944	1.4
67.05496	19.4
69.03415	4.2
69.06712	2.1
69.07055	26.0
69.46686	4.2
69.47113	6.4
70.07386	1.4
71.04977	16.5
72.08128	2.5
78.33666	1.2
79.05472	12.1
81.03369	1.4
81.07043	100.0
82.07371	2.3
83.04958	3.9
83.08611	7.7
84.73769	1.2
85.02900	2.1
85.06525	4.7
87.04473	1.8
87.98177	1.7
91.05468	9.2
93.07027	42.2
94.07307	1.4
95.04952	64.0
95.08590	75.8
97.06512	7.5
97.10138	6.9
99.08086	1.4
101.05988	1.4
101.60681	1.4
103.05430	1.4
105.07011	23.6
107.08574	29.9
109.02892	2.0
109.06495	10.4
109.10138	23.9
111.04346	1.3
111.08060	12.6
111.11716	3.1
117.03453	1.3
117.06989	1.8
119.08560	17.1
121.06470	2.6
121.10114	27.9
123.08073	3.2
123.11693	38.3
125.09603	5.6
127.11137	5.2
131.08577	6.0
133.10104	10.9
135.08083	1.6
135.11665	10.0
137.05927	5.2
137.09584	3.8
137.13231	52.3
139.11107	7.8
141.12764	2.3
142.07759	1.8
143.08545	1.9
145.02850	2.9
145.10078	8.7
147.11662	25.8
149.09549	2.5
149.13232	7.5
151.07521	3.1
151.11179	3.5
153.12723	3.9
157.10074	5.9
159.11664	17.4
161.09621	2.6
161.13239	9.0
163.11176	3.9
163.14793	1.5
165.12755	9.8
167.10660	5.2
171.11673	3.5
173.13197	7.1
175.07530	1.8
175.14789	5.3
177.05479	4.0
177.16289	1.3
179.07097	1.9
179.14246	1.3
181.12135	2.8
183.13722	2.2
185.13162	3.1
187.14807	2.5
189.16315	2.1
193.53667	1.4
199.14792	5.4
201.16304	8.5
213.16299	6.5
217.19337	1.5
251.99612	1.3
269.22635	4.0
277.25208	2.3
287.23611	21.9
288.24033	2.1
291.10135	2.1
305.24649	23.0
306.14093	1.5
323.12119	1.5
323.25836	24.3
324.26004	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	323.2574
Annotation	Gypopinifolone
Peak:m/z	Relative Intensity
53.03926	1.3
55.01844	1.5
55.05504	11.2
55.95914	0.9
57.03416	2.0
57.07071	1.9
59.01119	0.9
65.03927	2.7
67.05493	93.7
68.05809	1.3
69.07054	11.4
70.26681	3.9
71.04969	1.9
71.08604	0.9
74.73937	0.9
75.50073	1.0
79.05057	1.7
79.05482	21.0
80.05836	0.9
81.07044	100.0
83.04964	0.9
83.08617	5.6
85.06535	1.7
91.05467	14.5
93.07030	31.5
95.04930	2.9
95.08591	72.1
96.05383	0.8
96.08920	1.5
97.06503	4.1
97.10150	3.8
98.21187	1.8
99.04424	2.0
99.08100	1.1
105.07009	8.6
106.09237	0.9
107.08571	20.0
109.06480	2.0
109.10137	43.9
110.10474	1.9
111.08108	2.3
111.11771	0.9
117.06990	4.8
119.04921	1.2
119.08566	10.3
121.10126	17.4
123.08039	1.8
123.11684	23.4
125.09617	1.6
131.08562	9.5
133.10085	8.3
135.08028	1.2
135.11670	14.3
137.09624	1.2
137.13235	9.9
139.11179	1.6
145.10101	7.8
147.04388	1.9
147.11684	6.8
147.54185	1.0
149.09518	1.0
149.13228	9.3
151.11234	1.4
151.14781	3.1
159.11696	7.4
161.05884	1.2
161.13268	5.8
163.11151	1.2
163.14803	6.5
165.12660	2.8
165.16331	1.3
173.13225	8.8
175.14796	2.7
177.12764	2.4
177.16362	3.7
179.14305	1.9
187.14775	6.3
191.14281	2.2
201.16342	1.7
205.15787	1.9
217.04996	1.4
233.22551	2.1
243.21062	16.7
244.21420	2.0
261.22086	44.2
262.22427	2.5
263.05331	1.8
291.19482	3.0
305.24646	2.1
323.25732	52.2
324.25995	3.9
329.97748	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2575
Annotation	5,13-Dihydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03929	3.2
55.01867	7.2
55.05500	30.6
57.03433	7.3
57.07064	9.4
58.18384	1.5
59.04992	5.4
67.05488	35.1
68.95714	1.5
69.03410	10.3
69.07055	90.5
70.06577	3.6
71.04984	13.7
71.08616	2.4
71.54520	2.1
72.08139	11.5
73.02892	6.1
79.05479	19.3
80.59364	1.5
81.03403	2.7
81.07040	100.0
82.07352	3.7
83.04964	11.8
83.08606	20.8
84.08121	4.1
85.02870	2.9
85.06530	21.2
86.09691	3.1
87.04463	2.0
91.05466	16.3
93.07026	56.1
94.07345	2.2
95.04951	19.8
95.08591	71.7
96.08920	1.9
97.02884	2.7
97.06505	25.8
97.10134	9.3
99.04443	4.6
99.08060	10.6
100.00522	1.5
100.07588	8.6
100.08272	1.2
101.06007	7.6
103.05476	1.8
104.10714	2.2
105.03376	3.2
105.07011	28.6
105.85965	1.4
107.04952	4.1
107.08577	44.3
108.08878	1.5
109.02859	1.5
109.06494	10.4
109.10133	70.7
110.05952	1.8
110.09688	2.8
110.10419	3.1
111.08060	25.1
111.11689	13.8
113.05998	6.3
113.09624	1.9
115.07573	1.4
116.98657	1.4
117.06982	4.0
119.08564	19.6
120.08112	1.6
121.06490	4.8
121.10120	48.0
122.10472	1.9
123.08051	5.1
123.11688	44.8
125.05925	2.8
125.09606	8.5
127.07497	2.0
127.11160	8.6
129.09193	1.7
131.04907	1.9
131.07007	2.8
131.08572	6.9
131.09427	1.4
133.06401	1.9
133.10118	18.5
134.10420	1.9
135.04500	1.8
135.08034	4.6
135.11659	22.9
137.05988	7.8
137.09601	11.0
137.13220	14.9
138.09052	1.4
139.07526	1.9
139.11153	20.2
141.12711	2.4
142.07704	1.9
143.08539	2.9
145.10092	9.9
146.06003	2.3
147.04361	1.8
147.11658	17.3
149.09596	7.1
149.13222	19.9
151.07541	5.6
151.11143	18.0
151.14830	2.2
153.12717	11.7
155.10652	5.6
157.10124	4.0
157.12241	1.6
159.11674	9.6
161.05984	3.1
161.09572	4.4
161.13234	9.1
163.10028	1.6
163.11128	8.6
163.14778	4.8
163.39272	1.4
165.09175	1.9
165.12738	13.9
166.08620	5.2
167.10649	5.7
167.14297	8.2
169.12180	2.5
171.11717	3.6
171.14937	1.6
173.11728	1.6
173.13194	5.2
173.30872	1.6
175.07451	3.0
175.11192	2.9
175.14812	4.7
177.03253	1.8
177.05466	4.0
177.12709	2.8
177.16322	9.1
179.06937	2.4
179.14282	5.8
181.12193	5.8
185.13327	1.9
187.14824	2.9
189.09113	1.7
189.16365	4.8
191.17969	2.8
193.15849	2.8
195.13780	2.2
195.17499	3.1
199.13193	1.7
199.14781	2.3
201.16371	5.8
203.17955	2.0
205.15863	2.5
207.17479	2.6
213.16422	2.0
217.19550	2.2
219.17418	5.9
231.17297	1.5
237.18440	11.4
248.08325	3.5
263.10754	2.0
266.07193	1.6
269.22504	4.5
269.63187	1.8
275.23779	2.3
287.23630	13.1
291.10077	4.1
293.24811	1.6
305.24689	48.0
306.25183	2.7
323.09149	2.4
323.12570	8.5
323.18860	2.9
323.25742	43.1
324.26419	2.2
324.30060	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	323.2575
Annotation	Pacificanone A
Peak:m/z	Relative Intensity
53.03935	2.4
55.01864	2.5
55.05257	1.8
55.05501	16.5
56.96552	2.7
57.03426	2.7
57.07059	8.4
59.04980	3.0
60.11226	1.2
65.03906	2.5
66.54919	1.5
67.05492	20.9
69.03430	8.4
69.07057	36.4
69.41134	12.4
71.04987	15.3
72.08139	1.8
73.20043	1.4
79.05483	15.5
81.03399	1.8
81.07042	100.0
82.07407	1.6
83.04961	5.3
83.08607	8.5
85.02900	3.3
85.06528	6.3
87.04453	3.4
91.05458	14.5
93.06472	2.5
93.07029	45.7
95.04949	60.7
95.08589	79.2
96.08887	1.5
97.06512	7.9
97.10140	3.3
98.97546	3.5
99.04359	1.4
99.08053	3.6
100.07581	2.3
105.07013	29.3
107.04929	2.7
107.08571	27.0
108.08923	1.5
109.06499	11.8
109.10134	28.6
109.32504	1.3
111.03155	1.3
111.08064	15.8
111.11713	2.2
115.07591	1.3
116.98636	2.5
117.07011	2.6
119.08569	21.1
121.06522	2.5
121.10125	29.8
122.10497	1.6
123.08037	5.8
123.10818	2.3
123.11689	38.8
124.11990	2.3
125.09624	5.6
127.07499	1.6
127.11159	4.2
131.08524	6.0
133.10120	14.4
135.11681	14.6
137.05939	5.0
137.09601	3.7
137.12164	2.5
137.13228	51.6
139.11188	6.5
141.09048	1.6
141.12758	4.0
143.08592	3.4
145.10123	10.3
147.11667	26.7
149.09630	3.4
149.13243	9.6
151.07513	5.1
151.11163	4.1
153.12715	3.8
157.10150	6.4
159.11656	18.5
161.05942	1.8
161.09554	1.9
161.13248	8.4
163.11134	3.0
163.14803	3.4
165.12726	10.4
167.10660	7.7
171.11661	4.1
173.13164	6.9
175.07434	1.6
175.11195	2.1
175.14738	3.3
177.05475	2.0
177.12675	2.2
177.16428	2.5
179.07066	1.6
180.74265	1.4
181.10529	1.5
181.12149	1.7
183.13846	2.2
184.11041	1.7
185.13190	2.2
187.14725	4.5
189.16374	4.8
190.11128	5.9
190.61337	1.5
191.14262	1.7
199.11739	7.2
199.14725	4.2
199.61801	1.6
201.16379	7.4
203.17978	1.9
208.12173	1.7
213.16325	8.3
215.17833	1.8
249.18517	1.7
269.22577	5.5
271.13556	1.7
275.23602	1.8
277.25159	2.5
280.15869	1.7
281.24481	1.5
283.13672	1.4
287.23645	22.6
288.23965	2.0
291.10178	2.2
305.24698	27.4
306.25226	1.8
323.12668	4.1
323.18216	1.9
323.25800	22.9
324.26276	3.7
324.29968	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	323.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.0
55.01850	2.8
55.05501	6.3
57.03426	6.0
59.04997	3.1
60.60688	0.6
65.03934	1.9
67.05492	25.7
69.03418	0.9
69.07059	18.9
70.78413	1.4
71.04981	7.3
72.08134	1.2
73.06546	5.3
73.75252	0.6
79.05478	11.2
81.03385	1.4
81.07039	13.2
83.04963	2.1
83.08604	2.8
84.08140	0.7
85.02883	0.7
85.06519	4.6
86.09698	5.9
91.05462	11.1
93.07032	14.3
95.04953	14.2
95.08583	10.8
97.06519	2.1
97.10149	1.3
99.04451	0.8
99.08078	100.0
100.08411	1.2
105.07019	8.9
107.04967	3.5
107.08566	9.1
109.06501	16.6
109.10131	3.0
111.08072	1.8
113.06001	2.6
114.03627	0.6
115.05434	0.9
117.07009	4.9
119.08562	6.6
121.06492	2.5
121.10107	5.6
123.08035	3.8
125.09606	0.9
127.07540	6.3
128.06256	0.7
128.10632	0.8
129.07019	3.1
130.07843	0.8
131.08540	9.0
132.10188	1.4
133.06459	2.1
133.10110	6.3
135.08051	10.9
135.11682	2.9
137.05978	0.8
137.09648	1.1
137.45798	0.6
139.07524	0.7
141.06964	0.9
141.09085	2.0
143.08499	3.1
144.09303	0.9
145.10103	6.3
147.08031	4.3
147.11679	3.0
149.06049	0.8
149.09590	4.6
149.13278	1.1
150.62370	0.6
151.11160	4.2
153.09071	0.8
155.08482	0.6
157.10065	4.0
159.08002	1.1
159.10226	1.0
159.11717	3.4
161.06004	1.1
161.09596	4.5
161.13251	1.2
163.11148	2.8
167.10660	0.8
171.11636	2.7
173.13309	1.4
175.11212	2.3
177.05463	1.4
177.12737	1.0
181.10120	0.8
183.11722	1.1
195.13846	0.8
199.14803	1.6
201.12762	1.3
207.13898	0.7
213.16432	0.9
217.15805	6.2
219.13814	1.0
227.17946	1.6
237.16414	1.5
245.19009	1.2
249.18556	1.4
255.17409	3.6
263.20200	0.7
273.18454	18.2
278.21158	2.3
287.20178	0.8
291.19501	21.0
292.19699	0.7
305.21100	8.5
305.24533	1.2
323.22482	2.0
324.21915	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55643	0.9
53.03936	1.3
54.62745	0.8
55.01857	3.8
55.05507	4.6
55.40060	0.9
57.01845	0.9
57.03157	1.5
57.03430	28.9
57.07055	1.7
58.58235	0.8
62.06076	4.5
65.03938	1.7
67.05495	26.0
69.07069	5.1
69.78967	0.9
69.92350	5.4
71.04970	3.2
73.41819	0.9
79.05472	10.9
81.07049	12.7
83.04955	1.7
83.08607	3.7
85.06529	27.7
91.05458	8.0
92.15376	0.9
93.07025	8.5
95.04953	37.9
95.08588	6.0
97.06496	2.1
99.08112	1.4
105.07009	7.5
107.04938	2.7
107.08570	7.9
109.06503	25.0
109.10132	3.1
110.06899	0.9
111.04427	2.4
111.08051	1.4
113.05988	100.0
114.06359	1.4
117.07004	3.8
119.08559	5.2
121.06445	1.9
121.10114	4.4
123.08031	2.2
125.09596	1.3
129.06973	2.3
131.08548	6.9
132.89003	0.9
133.06493	1.6
133.10129	2.5
135.08032	23.3
135.11644	2.8
137.05905	1.4
137.09567	1.2
143.08542	3.7
145.10109	5.1
147.08081	2.3
147.11641	1.6
149.06029	1.1
149.09602	3.2
153.12773	1.0
157.10095	2.9
159.11688	2.5
161.09601	3.6
163.11159	1.9
169.10042	1.2
171.11685	1.4
173.09766	0.9
175.11053	1.0
177.03169	1.4
177.12776	1.7
181.12282	1.2
199.14771	1.4
199.37914	1.1
201.12851	1.7
207.61169	1.0
217.15863	6.7
255.17413	2.2
273.18472	15.6
291.19498	39.9
292.19769	2.4
293.76407	1.2
305.21088	6.0
305.24152	1.1
323.22437	1.5
323.25818	3.4
338.84406	1.0
345.80017	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78041	0.6
53.03925	2.1
55.01863	5.1
55.05500	21.3
57.03415	2.0
63.42958	0.8
65.03927	1.0
67.05492	15.3
68.95898	0.7
69.03423	3.5
69.07053	18.3
71.04988	1.6
71.53385	1.2
72.35189	0.8
79.05476	13.8
81.03380	2.9
81.07037	14.8
83.04951	3.1
83.08605	12.0
85.02867	0.9
85.06520	1.8
91.05460	10.4
93.07021	14.7
95.04939	7.8
95.08583	9.9
97.02858	3.2
97.06496	2.5
97.10146	18.3
105.03358	1.0
105.07013	7.3
107.04957	6.0
107.08566	11.5
109.06484	2.6
109.10136	4.5
111.08080	2.1
112.16016	0.8
117.06977	4.0
119.04926	5.8
119.08564	8.1
121.06467	2.0
121.10105	3.7
123.04388	1.8
123.08039	8.7
123.11688	1.0
125.09604	19.6
129.06969	2.6
131.04890	2.3
131.08530	6.1
133.02817	1.8
133.06491	5.8
133.10086	2.6
135.08029	5.3
135.11667	2.6
137.09592	1.7
139.11127	0.7
141.31601	0.8
143.08546	2.3
145.10083	4.2
147.04376	20.7
147.08012	4.3
147.11636	3.1
148.04648	0.9
149.05919	1.1
149.09610	1.1
153.09071	2.9
157.10086	1.5
157.12163	1.2
159.08070	0.8
159.11633	2.1
161.02298	2.2
161.05940	4.1
161.09544	1.7
162.10283	1.4
163.11136	2.5
165.09068	2.5
166.17809	0.8
167.08543	0.8
173.11681	0.8
175.11182	1.8
179.03323	0.8
187.03819	1.3
189.05429	5.0
189.11110	0.8
189.12723	1.0
193.12149	2.3
199.03856	1.8
203.12721	12.2
207.34703	0.8
217.04880	6.8
221.11665	0.8
223.13226	11.0
225.14818	1.7
227.17934	1.6
237.14812	2.2
239.12575	0.8
245.19040	1.5
249.14816	2.0
255.17392	1.8
263.05426	7.8
263.19943	1.3
273.18457	12.2
291.19473	100.0
292.19781	4.0
305.17752	1.4
305.21109	18.9
305.24567	2.3
306.21518	0.9
323.22107	6.6
323.25809	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	323.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.6
55.05496	1.6
67.05480	2.1
69.03407	0.9
69.07037	2.1
71.04983	0.8
71.06058	1.7
72.08134	1.2
79.05460	2.2
81.05775	1.8
81.07038	5.9
84.08145	0.9
85.06545	0.6
86.09671	0.9
88.65447	0.6
91.05452	1.7
93.07021	2.2
94.06573	1.0
95.04951	1.2
95.08583	2.7
96.08109	7.8
96.76410	0.6
105.06993	2.3
106.06529	1.5
107.04927	0.9
107.08578	1.7
109.06446	0.7
109.10148	1.3
111.08057	1.6
117.03364	1.1
119.08553	1.0
121.10061	1.3
122.06035	0.8
123.08084	0.8
123.11662	2.1
124.07570	30.5
133.10104	1.3
135.11673	0.9
136.07550	51.8
137.05945	1.2
137.07880	1.0
138.09093	2.0
140.06990	1.1
145.02795	2.6
145.10127	0.7
146.05997	1.2
149.05936	1.0
159.11650	0.8
161.05997	0.9
164.07034	100.0
165.07359	2.7
174.05531	0.7
177.05443	7.4
182.08095	85.4
183.08337	1.5
203.08484	0.6
291.09988	1.0
305.24655	1.3
306.13385	1.0
323.12543	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.8
55.01851	0.8
55.05503	1.5
56.05017	0.3
57.03426	0.7
57.07051	0.3
65.03938	0.4
67.05499	1.5
67.57116	0.2
69.03105	0.2
69.03425	2.0
69.07060	2.5
69.23283	0.9
69.23710	1.6
70.06580	2.8
71.04981	0.9
71.23315	0.2
72.08129	1.2
73.02895	0.4
74.02438	0.3
75.18523	0.3
79.05473	3.5
80.05006	0.7
81.03400	0.4
81.05787	2.2
81.07043	6.5
82.06554	0.4
83.04973	1.0
83.08607	0.7
84.04467	0.2
84.08119	1.1
85.02895	0.7
85.06528	2.1
86.09695	1.7
88.03962	1.3
89.03904	0.9
91.05474	1.9
93.07030	2.8
94.06551	2.0
95.04939	1.4
95.08585	2.9
96.04484	0.3
96.08115	12.6
97.02879	0.9
97.06509	0.7
97.10165	0.3
99.04480	0.3
99.08102	0.3
100.07616	0.6
103.03940	0.9
103.05435	1.1
104.03446	0.4
105.06973	2.4
106.06550	1.6
107.04931	1.1
107.08578	1.5
109.02877	0.6
109.06507	0.8
109.10123	1.9
110.06015	0.7
110.07148	0.3
111.04442	0.5
111.08060	2.1
112.07594	0.3
113.05974	0.4
116.07082	0.4
117.03376	2.7
117.07019	0.6
118.06458	0.4
119.04919	0.8
119.08596	1.4
120.04447	0.5
120.08106	0.9
121.04894	0.3
121.06471	0.8
121.10123	1.9
122.06017	2.0
122.09519	0.2
123.04432	0.6
123.08044	0.7
123.11678	1.8
124.07569	100.0
125.07859	1.6
125.09625	0.4
126.09164	0.4
127.03907	0.7
128.07030	0.5
130.06558	0.7
131.04904	2.1
131.08571	0.6
132.10133	0.3
133.06436	0.5
133.10114	1.0
134.06018	0.4
135.04404	0.6
135.08067	0.4
135.11668	1.0
136.07541	5.1
137.00554	0.3
137.05957	8.5
137.13255	0.5
138.05486	1.2
138.09111	2.1
139.07506	0.4
139.11176	0.8
140.07063	0.7
142.08595	0.3
143.08563	0.4
145.02809	6.5
145.06471	0.3
145.10049	0.9
146.05992	6.6
147.04379	1.1
147.07980	0.3
147.11624	0.9
148.03926	0.7
149.05943	1.6
149.09576	0.8
149.13239	0.4
150.05489	0.6
151.03865	0.3
151.07527	4.3
151.11142	0.5
152.07024	0.9
154.08620	0.9
155.08456	0.3
155.10680	0.3
157.06433	0.3
157.10118	0.5
158.05988	1.6
159.11621	0.5
160.95323	0.7
161.05957	1.6
161.09659	0.5
161.13193	0.5
162.05388	0.4
162.09132	0.5
163.07523	1.2
163.11211	0.4
164.07053	3.0
165.05447	1.2
166.04941	0.4
166.08643	0.9
167.06998	0.7
167.10690	0.3
168.06500	0.4
173.07106	0.8
173.09525	0.4
174.04089	0.6
174.05479	3.0
175.07492	1.7
177.05447	12.5
178.23409	0.3
179.07022	2.2
180.06506	2.5
181.06537	0.3
182.08075	2.7
183.06502	0.9
185.05916	0.5
187.07533	0.3
189.09009	0.3
191.14262	0.4
192.06554	0.9
198.07642	0.9
199.07477	0.4
200.09109	1.6
200.10677	0.4
202.03406	0.6
203.08455	1.1
206.04477	0.4
206.95779	0.3
209.08037	1.0
214.12323	0.4
217.08553	0.7
218.11790	0.3
220.08711	0.4
231.08035	0.9
232.13216	0.4
235.07492	0.3
245.08180	0.4
245.12735	0.3
246.11237	1.1
248.08112	0.4
259.07394	0.9
260.07944	0.3
260.12762	0.7
261.02621	0.3
263.07324	0.3
263.10501	1.5
268.68997	0.3
275.81085	0.3
276.07846	0.4
277.08310	0.3
277.15439	0.5
278.13824	0.3
279.08484	0.4
287.09204	0.4
287.13333	0.3
287.16458	0.3
287.23447	0.4
288.12152	1.3
291.06882	0.4
291.10110	2.1
291.13177	0.5
293.08066	0.3
295.09619	0.3
305.14673	1.3
305.17920	0.5
305.24716	1.1
306.13242	3.6
323.09561	0.7
323.12497	3.4
323.15933	3.2
323.23123	0.9
323.26022	0.9
324.13297	0.5
329.11514	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73463	0.4
55.01849	0.7
55.05502	1.5
57.03413	0.5
57.07057	0.5
67.05504	1.7
67.58524	0.3
69.03424	0.9
69.07051	2.3
71.04993	0.9
71.52782	0.6
78.04765	0.3
79.05467	1.1
81.03408	0.3
81.07030	4.4
83.04961	3.0
83.08608	1.0
84.08134	0.5
85.02892	0.9
85.06564	0.3
89.03895	3.6
91.05460	2.8
93.07023	3.6
94.61647	0.4
95.04955	1.4
95.08599	2.8
97.02905	0.8
97.06508	0.8
97.10139	0.5
99.04456	0.6
101.06087	0.4
103.05436	0.6
105.06985	2.3
106.04257	0.3
107.08572	2.0
109.06480	0.8
109.10130	2.1
111.04418	3.0
111.08053	3.6
117.03358	15.8
118.06564	0.4
119.08562	1.9
121.06488	0.6
121.10117	2.5
122.10445	0.5
123.08018	0.6
123.11696	1.7
125.09618	0.4
127.11159	0.4
129.05487	0.5
130.06505	0.7
131.04918	0.5
131.08548	0.5
132.08064	0.5
133.10124	1.8
134.02710	0.4
134.03647	1.0
135.04396	1.2
135.07990	0.4
135.11693	0.8
137.05942	6.7
137.06935	0.5
137.13219	0.6
138.06270	0.3
143.08549	0.4
145.02815	51.0
145.10080	0.7
146.03159	1.6
146.05962	1.2
147.04359	0.4
147.11668	1.2
149.05943	6.8
149.09601	0.5
149.13245	0.7
155.08459	0.4
159.09125	1.7
159.11658	0.8
161.05923	1.2
161.09630	0.5
161.13243	0.5
163.07639	0.4
167.10619	0.5
171.04355	0.4
175.07574	0.3
175.14771	0.6
177.05431	100.0
178.05772	4.5
179.07027	0.3
181.04932	0.4
186.05429	2.1
188.07019	1.6
189.05415	0.5
191.06981	0.9
191.10628	0.3
201.16391	0.3
203.17949	0.5
205.09737	0.6
207.06473	0.7
217.08504	0.5
219.06514	0.6
231.06474	6.1
233.08014	0.5
247.06027	2.3
277.13196	0.7
287.09024	0.6
287.23694	0.7
295.82697	0.3
305.10107	13.1
305.17496	0.6
305.24661	1.4
306.10452	0.7
323.11163	0.5
323.19287	0.8
323.25864	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03907	0.8
55.01851	2.1
56.05019	1.3
56.96538	1.9
57.03418	1.2
58.06562	1.2
60.04515	0.6
60.05622	0.6
66.86772	0.6
68.43307	0.6
69.03406	2.0
69.07054	1.8
70.06300	0.5
70.06583	5.4
71.01344	0.7
71.06902	0.9
71.53510	1.2
72.08157	3.0
73.02901	1.5
74.02428	0.8
74.06095	0.6
74.54890	0.5
77.44006	0.6
78.36112	0.5
79.05495	0.9
80.04996	1.5
81.03404	0.9
81.07053	0.6
84.04480	2.2
84.08124	4.4
85.02876	2.4
85.06569	0.7
86.09687	3.6
88.02193	1.0
88.03962	2.8
91.05464	4.4
92.05785	0.6
93.07040	0.8
94.07369	0.8
95.04976	1.1
95.08574	0.9
96.04486	0.6
97.02854	1.7
98.97546	1.1
99.04460	0.6
100.07581	1.0
102.05547	1.1
103.05442	1.4
105.03367	1.1
105.07007	3.1
107.04930	5.0
107.08584	0.9
109.02858	1.0
109.06523	0.8
110.07166	1.3
110.09673	0.8
112.08719	0.7
115.05449	1.2
116.07101	0.6
116.98595	1.1
117.03392	0.7
118.06518	1.8
119.04910	7.1
119.08560	1.8
120.08072	1.1
120.08897	1.8
121.02867	0.8
122.02693	1.3
123.05530	35.2
127.03899	0.9
128.03407	0.7
128.04950	4.4
129.10136	0.9
130.04944	1.6
130.06502	21.5
131.04904	3.6
132.04416	1.9
133.02805	3.9
133.06435	4.6
135.04413	1.6
135.05502	4.2
136.07603	0.7
137.06003	0.7
137.09648	0.7
140.07011	1.0
143.07037	0.9
144.04637	0.8
144.08054	0.7
144.61771	1.0
145.02852	2.5
145.06508	1.0
145.07567	1.3
146.05981	100.0
147.04385	29.5
147.06294	2.5
147.08009	1.1
148.03908	2.1
148.04915	0.8
149.05959	2.5
151.05023	1.5
156.04427	5.5
156.07712	0.8
157.07576	8.7
158.05988	59.1
159.04385	1.0
159.06348	1.4
160.09720	1.0
161.02301	3.4
161.05943	5.3
161.09956	1.2
163.03835	1.1
163.05078	0.8
165.05356	0.7
165.09077	0.9
166.09462	0.7
168.08072	1.3
171.04375	1.7
172.03915	1.4
173.07074	25.8
174.05489	6.6
174.14870	13.1
175.08679	1.6
177.05421	5.5
179.03351	1.6
180.07648	13.2
186.07700	0.7
187.03821	3.1
189.05414	11.0
189.07010	0.8
194.04517	1.1
198.08723	1.0
199.03787	3.0
200.07077	1.1
201.06592	1.8
202.04912	4.0
203.08134	9.9
205.04947	0.7
217.04921	12.3
243.07632	2.6
259.07114	13.3
261.08685	5.2
263.05432	13.2
263.10068	1.2
269.09042	1.0
277.11880	1.5
287.06454	4.2
287.09381	0.7
305.07480	2.3
305.11475	3.0
312.58148	0.7
323.08255	0.8
323.11917	18.8
323.15741	1.2
323.18970	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	322.1431
Annotation	Pyriproxyfen
Peak:m/z	Relative Intensity
51.02362	0.4
53.03920	0.8
55.13848	0.3
57.07056	1.6
62.06079	0.7
71.08614	0.6
71.55224	0.3
77.03916	0.4
78.03436	1.1
79.05484	0.4
81.07064	0.3
83.67307	0.3
85.10162	0.8
89.06017	2.8
91.05460	1.0
93.07049	0.3
95.04962	1.8
95.75092	0.3
96.04473	100.0
97.04808	1.3
105.04479	0.5
105.06994	1.7
107.04881	0.4
108.29775	0.3
115.05431	0.9
119.04913	6.6
128.06204	0.7
129.06976	6.0
129.31352	0.3
130.07222	0.3
133.06470	1.9
133.08606	0.5
134.07242	6.5
136.07547	1.5
141.06918	1.4
151.09637	2.9
157.06456	1.3
171.08008	0.4
171.70851	0.3
185.05942	12.4
186.06413	0.6
199.07530	1.2
209.09631	0.4
227.10623	10.2
228.11035	0.5
229.42589	0.3
305.26904	0.9
322.14310	6.3
322.17892	0.5
323.14615	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.0
55.05499	5.1
57.07058	0.8
62.06078	100.0
65.03933	0.8
67.05493	16.4
69.07059	6.7
70.16660	0.8
71.52422	0.9
72.08134	1.1
79.05480	11.5
80.36288	0.8
81.07040	15.5
83.04958	0.7
83.08627	1.7
91.05462	4.3
93.07021	12.1
94.94263	0.7
95.04961	0.8
95.08591	12.1
97.06495	1.4
97.10136	0.8
99.04416	0.8
100.07593	1.4
105.07008	4.2
107.08578	7.2
109.10132	5.1
117.07036	1.0
119.08586	1.5
121.10130	5.8
123.11682	1.2
131.08531	1.2
133.10100	1.8
135.11690	3.2
139.11229	0.7
147.11661	1.7
149.13264	1.6
159.11671	1.1
161.13216	1.1
165.01540	0.7
243.21071	1.3
261.22177	1.9
299.06165	0.9
304.26205	1.0
305.24698	21.3
306.24960	1.2
322.27365	27.8
323.27872	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	4.3
57.03437	0.6
59.84044	0.3
61.02904	0.4
65.03922	0.6
65.96397	0.4
68.99767	0.5
70.06575	0.6
70.57772	1.0
71.01346	0.5
72.08147	0.7
79.05466	0.4
83.01327	0.4
84.08109	0.4
86.09704	0.9
91.05470	9.6
95.04959	0.9
100.18264	0.3
101.02390	0.3
103.05456	1.4
104.82415	0.4
105.03375	4.1
105.07015	5.0
107.04941	16.5
115.05412	1.8
117.03376	0.8
117.07003	0.9
119.04925	25.4
119.08602	0.5
120.05210	0.5
121.02905	1.7
121.06513	0.8
123.04427	2.8
127.16116	0.4
131.04906	12.6
132.98254	0.4
133.02829	12.0
133.06471	16.5
134.03389	0.3
135.04414	5.3
142.27950	0.3
143.04887	0.8
145.02808	2.2
145.06448	1.9
146.05896	0.4
147.04387	100.0
148.04727	1.3
149.05968	4.8
155.06059	0.4
157.06503	0.5
159.04387	4.3
161.02324	10.8
161.05956	23.3
162.06357	0.4
163.03955	0.5
165.05476	1.3
166.29456	0.4
171.04333	6.5
171.05531	1.0
173.05933	1.6
175.03891	0.8
177.05444	6.6
179.03325	4.3
185.05925	0.7
187.03867	9.8
189.05437	37.9
190.05862	0.7
197.05940	0.6
199.03879	10.3
201.05389	0.6
203.03477	0.4
205.04942	3.2
207.06442	0.4
215.03392	0.7
217.04929	45.9
218.05298	1.1
235.05925	2.2
245.04536	1.2
253.07120	0.8
259.05893	0.8
263.05469	49.0
264.05875	1.7
287.05316	0.4
298.72882	0.4
305.06622	1.8
305.14847	0.5
323.07639	1.3
323.12289	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82082	0.3
55.01864	4.4
55.05486	0.5
56.05034	0.4
57.03422	0.6
57.07069	0.4
60.04491	0.4
61.02888	0.3
63.66547	0.3
64.40613	0.3
65.03908	0.6
67.05500	0.5
68.10848	0.3
68.99770	0.4
69.03423	0.6
69.07053	1.2
69.42273	2.8
70.06581	3.0
71.04976	0.5
72.08133	1.0
72.18433	0.3
79.05493	0.9
81.03384	0.3
81.07042	1.1
83.01330	0.4
83.04990	0.3
84.04478	0.7
84.08110	1.6
85.02889	0.6
85.06500	0.3
86.09690	3.0
87.04412	0.4
88.03987	0.4
91.05468	10.5
91.07030	0.3
93.07014	1.0
95.04947	1.4
95.08586	0.8
97.02883	0.5
97.06500	0.6
99.25568	0.3
100.07614	0.3
102.05527	0.4
103.05432	1.9
105.03374	4.8
105.07014	5.2
107.04938	14.4
107.08577	1.0
109.02811	0.3
109.10146	0.4
111.08060	1.4
115.05429	1.6
116.07097	0.5
117.06998	0.8
118.50918	0.3
119.04922	27.0
119.08540	0.6
120.05222	0.3
120.08113	1.4
121.02834	2.4
121.06475	0.7
121.10123	0.7
122.06027	0.6
123.04406	3.3
123.08028	0.4
124.07576	0.4
129.06976	0.4
129.10260	0.4
131.04912	11.4
131.08551	0.5
133.02831	12.6
133.03819	0.7
133.06470	16.7
133.10124	1.0
134.06891	0.3
135.04373	4.1
136.07526	0.3
137.00511	0.3
137.05965	1.7
138.09093	0.5
141.40646	0.3
145.02855	0.9
145.06448	2.0
146.05975	0.3
147.04385	100.0
148.04802	1.7
148.05833	0.4
149.05951	5.3
151.07494	0.9
154.08560	0.3
157.06523	0.6
159.04407	3.3
159.07919	0.5
160.05177	0.4
161.02321	9.6
161.05956	20.7
162.06212	0.6
163.03911	0.7
165.05486	1.5
171.04372	5.3
171.05565	0.8
173.05975	1.9
175.03917	0.6
175.07359	0.4
177.05472	3.8
179.03346	3.7
185.05922	0.6
187.03876	9.8
189.05437	31.1
190.05756	0.9
191.03336	0.4
191.06932	0.4
199.03876	8.8
201.05440	0.6
205.04968	2.0
207.06433	0.4
213.05380	0.7
215.03305	0.7
215.06999	0.6
217.04926	39.8
218.05260	0.6
229.04738	0.3
231.08060	0.5
235.05818	1.4
239.06966	0.3
241.05048	0.3
245.04428	0.9
245.12822	0.4
253.07103	0.8
263.05466	42.8
264.05804	1.0
281.08038	1.0
285.73074	0.3
291.10019	1.0
292.11417	0.3
302.09824	0.5
305.06509	1.1
305.14618	0.6
323.08524	1.1
323.12543	1.4
323.15775	0.9
323.19382	0.6
323.23117	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81500	0.3
55.05511	0.5
60.04511	0.7
67.05495	0.6
69.07068	0.9
71.20621	0.9
79.05477	0.7
81.07044	1.2
86.09692	100.0
87.09983	2.1
91.05447	0.7
93.07015	2.3
95.04964	1.1
95.08561	0.8
103.05444	3.2
103.58059	0.3
105.07027	0.6
107.04938	1.6
107.08564	0.6
109.10156	1.2
119.08577	0.7
120.08084	95.4
121.08438	2.5
121.10154	0.9
123.11685	0.6
128.10695	50.7
129.11005	1.7
131.04938	2.1
133.10071	0.5
137.09572	0.5
147.11661	0.6
147.95245	0.4
149.05988	1.3
156.10178	17.4
166.08612	66.7
167.08981	2.6
261.09158	0.6
303.23215	0.7
308.00153	0.4
321.24243	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.7
55.05498	1.1
56.03168	0.4
57.07060	0.4
58.38230	0.3
60.87974	0.4
61.52618	0.3
64.12402	0.3
64.87897	0.3
65.03930	0.8
67.05492	8.8
69.03415	0.7
69.07055	1.2
70.06567	1.1
71.04997	0.6
71.24185	0.7
71.24509	0.4
72.08138	1.7
77.03954	0.4
79.05477	1.8
81.07040	3.9
83.04990	0.9
84.08142	1.1
85.06528	0.5
86.09694	0.6
91.05466	2.6
93.07023	2.8
94.06557	7.6
95.04983	2.1
95.08598	2.2
97.06530	0.4
104.04960	0.4
105.07010	1.5
106.56860	0.4
107.08576	1.8
108.04471	0.5
108.08121	0.8
109.06496	3.9
109.10140	2.0
111.08079	1.0
117.03417	0.4
118.06453	0.5
119.04924	1.8
119.08559	1.3
120.08047	0.4
121.10097	1.9
122.06004	29.1
123.04404	0.4
123.06350	0.6
123.11685	1.6
125.05933	0.6
126.05486	0.6
130.06540	0.6
131.08539	0.4
132.08112	0.5
132.35283	0.4
133.10127	0.7
134.06003	0.5
135.07976	0.9
135.11639	0.9
136.07550	60.1
137.07903	1.1
137.09608	1.3
140.07065	1.2
144.04407	0.8
145.10066	0.8
146.05971	1.8
147.04373	8.1
148.03827	0.5
149.09592	0.6
151.89503	0.4
153.44186	0.4
157.10066	0.7
158.95563	0.7
161.09618	0.6
162.05524	2.6
163.11108	0.5
164.07033	100.0
165.05438	0.6
165.07434	2.0
172.03860	1.1
173.07031	0.6
182.08092	79.1
183.08412	1.6
188.07053	1.1
189.06548	2.9
190.04973	1.6
217.06091	0.6
218.04382	0.7
223.09816	0.4
235.07112	0.8
258.11160	1.0
258.42273	0.5
259.14276	0.8
285.12006	0.6
286.10590	0.9
303.05856	0.5
303.13348	2.0
303.23120	1.5
304.11667	1.2
312.23663	0.4
321.04431	0.6
321.10327	0.9
321.14127	0.6
321.24136	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	321.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.9
55.01857	0.6
55.05502	1.4
67.05492	8.9
69.03413	0.8
69.07058	1.7
69.56204	1.8
69.56612	1.2
70.06579	1.2
71.04981	0.9
72.08150	2.2
75.69597	0.4
77.03902	0.8
79.05470	1.5
81.07034	3.6
84.08115	1.5
85.06532	0.5
86.09711	0.5
87.18015	0.4
91.05466	1.7
93.07018	2.3
94.06551	9.8
95.04950	1.8
95.08591	1.2
97.06483	0.8
98.20815	0.8
105.07014	1.2
107.08572	0.9
108.08118	0.8
109.06499	3.0
109.10157	1.3
111.08011	0.6
118.06537	0.6
119.04903	0.9
119.08543	1.1
119.31826	0.4
120.08069	0.5
121.06442	0.8
121.10101	1.7
122.06004	32.2
123.06373	0.9
123.11662	1.1
126.05457	0.8
130.06494	1.3
130.08594	0.5
132.08122	0.6
133.10112	0.6
135.08060	0.7
135.11668	0.5
136.07550	62.6
137.07872	1.8
137.09566	0.5
140.07051	1.9
144.04390	0.6
145.10165	0.5
145.90877	0.4
146.06013	2.0
147.04381	4.2
147.11685	0.8
148.03848	0.5
150.09097	0.5
162.05482	2.7
164.07034	100.0
165.05408	0.7
165.07437	3.0
172.03928	0.5
182.08093	85.2
183.08406	2.3
188.06966	1.3
188.10629	0.8
189.06538	1.5
190.04953	1.1
199.14821	0.5
217.05853	0.7
218.04356	0.5
235.06956	0.5
242.11720	0.6
258.11148	0.8
259.14368	1.8
285.12302	0.9
286.10858	0.7
303.13156	1.6
303.16382	0.5
303.23090	1.4
304.11691	1.3
321.04416	0.6
321.10208	0.8
321.14151	0.7
321.24036	1.7
324.98727	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.8
55.05502	9.0
57.03415	6.7
67.05492	13.4
69.03422	2.4
69.07056	14.9
70.06573	1.8
71.04980	4.1
72.08141	3.7
77.01011	1.4
79.05471	8.7
81.07039	54.5
81.07514	3.3
82.07373	1.6
83.04948	5.2
83.08609	7.7
84.04478	1.4
84.08125	1.8
85.02880	1.5
85.06519	2.9
86.78843	2.0
91.05460	17.4
93.07014	9.0
95.04974	2.9
95.08587	14.0
97.06512	4.7
98.21519	4.6
99.08067	4.5
100.07632	1.4
101.05995	1.9
105.07007	28.8
107.08560	13.1
109.02811	1.9
109.06498	5.1
109.10106	3.8
111.08044	1.7
119.06106	1.8
119.08554	20.7
121.10116	20.9
123.08012	3.7
123.11684	23.2
127.07536	3.5
131.08580	1.8
133.10109	4.8
137.09592	2.4
137.13225	3.4
141.09097	1.9
143.08565	1.7
143.42928	1.4
145.10126	2.0
145.70244	1.9
147.08264	1.3
147.11658	61.0
157.10130	1.9
161.09634	2.3
161.13268	1.5
165.12724	25.6
174.07593	2.3
175.11107	4.2
183.13776	6.4
193.12180	2.9
211.13278	1.5
229.14305	12.4
229.63805	1.9
229.66019	1.8
267.15872	59.0
268.16266	3.6
285.16895	100.0
286.17200	2.3
320.27249	4.4
335.73822	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	321.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
58.21692	0.4
63.50924	0.4
65.03925	0.4
67.05490	8.0
71.25475	0.8
73.32336	0.4
79.05495	0.7
81.07043	1.3
84.08121	0.5
91.05459	1.0
93.07027	1.5
94.06551	8.9
95.04952	0.7
95.08576	0.9
105.07021	0.7
107.14439	0.4
109.10102	0.7
119.08604	0.5
121.10133	0.7
122.06006	32.0
123.06380	0.6
123.11721	0.6
125.05945	0.4
126.05432	0.5
136.07550	54.9
137.07939	1.0
139.11104	0.5
140.07025	1.6
146.05986	1.4
154.02164	0.5
162.05475	0.6
164.07034	100.0
165.07362	1.4
168.07967	0.4
182.08092	88.8
183.08395	1.7
188.07047	1.4
189.09082	0.5
208.63345	0.4
247.05078	0.7
247.07443	0.4
259.14218	0.7
275.04141	0.5
285.12219	0.5
286.10672	0.5
303.13416	0.8
304.11716	1.5
321.04959	7.6
321.24023	0.7
322.04968	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90464	0.9
52.30292	1.0
53.03906	1.2
55.01869	1.5
56.05032	6.3
57.03401	1.2
59.30745	1.1
60.04516	1.9
61.01128	3.4
66.39011	0.9
68.01519	0.9
69.03407	3.6
69.07040	4.1
69.71216	1.0
70.06575	7.9
70.50588	1.0
70.58524	2.2
72.08125	1.9
73.02885	1.1
74.06071	1.4
81.03406	1.7
82.72476	1.0
84.04481	5.3
84.08130	18.2
85.02887	6.5
86.09687	6.7
88.02183	1.3
88.11250	4.3
94.06544	7.0
95.04939	1.5
95.07306	1.2
96.04472	7.6
96.08098	3.5
97.02901	2.9
98.06034	10.6
99.04414	1.3
102.05521	2.9
104.05316	9.8
107.04945	1.4
109.02831	7.9
110.07136	3.8
112.07594	2.9
114.05502	16.3
114.26978	0.9
116.07063	1.1
119.04901	1.3
122.06026	2.6
123.04399	2.2
126.81605	1.0
127.03933	1.5
129.10260	4.6
130.04924	1.4
130.06540	1.3
130.08624	9.0
136.07545	1.1
138.05424	1.1
138.09125	3.5
140.07036	54.1
141.05441	5.8
141.07452	1.3
145.04944	1.5
146.06355	4.7
147.04366	1.4
147.11266	7.9
155.49730	1.0
156.06505	1.4
156.07635	2.4
158.08095	100.0
159.08441	2.4
173.12787	4.9
174.05786	1.7
176.33827	1.1
186.07603	3.4
201.12302	2.0
221.09138	2.1
236.30334	1.1
240.12201	1.8
258.13370	4.1
276.14560	1.7
302.12109	3.0
303.43445	1.1
320.13046	2.8
320.16394	10.4
321.11053	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	0.6
55.05507	1.9
57.07065	100.0
58.07393	1.0
59.04989	13.1
64.99731	0.5
67.05492	1.8
69.07053	2.2
71.03258	1.4
71.03600	0.8
71.08618	76.2
72.08967	1.2
79.05493	0.9
81.07054	2.1
83.08616	1.7
85.10167	59.4
86.10518	1.6
87.03004	0.7
89.06009	11.5
93.07016	1.1
95.08620	1.8
96.88236	0.5
97.10143	1.5
99.11721	10.3
99.12318	1.0
101.21197	0.6
102.07281	0.5
103.07602	1.3
107.07049	4.8
107.08598	0.6
109.10196	0.7
111.11698	0.6
113.13292	2.4
129.27823	0.6
130.08612	0.8
133.08623	0.7
151.09703	1.9
155.17950	1.9
213.22224	1.1
319.30237	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	319.0443
Annotation	IRIGENOL
Peak:m/z	Relative Intensity
51.93762	0.1
55.01857	0.5
56.45663	0.1
65.03925	0.4
67.01852	0.4
68.99777	2.9
69.03416	0.3
79.01838	0.3
81.03405	0.4
86.09678	0.1
93.03395	0.4
93.07019	0.3
95.01292	0.1
95.04953	0.2
97.02864	0.4
98.20625	0.2
103.05376	0.1
103.07874	0.1
105.06997	0.4
107.01304	0.2
107.04885	0.2
109.02856	2.0
111.00781	4.3
111.04420	0.6
115.05446	0.2
121.02850	0.5
121.06464	0.4
123.04408	0.2
125.02319	0.6
126.03086	0.3
127.03920	0.6
131.04865	0.1
133.02802	0.3
133.06494	0.1
137.02316	3.7
139.03874	0.7
143.03337	0.3
145.06410	0.1
147.00774	0.2
147.04370	0.4
149.02357	0.3
149.05908	0.1
149.09579	0.1
151.03908	0.2
153.01799	20.6
153.05435	0.3
154.02142	0.5
155.04900	0.2
159.04422	0.2
159.21100	0.1
161.02330	0.2
161.05946	0.5
163.03850	0.3
165.01805	5.8
166.02588	0.9
171.03027	0.2
171.04324	0.7
175.03864	0.4
177.05457	0.8
179.03349	2.4
183.02867	2.1
189.01654	0.1
189.05444	2.0
191.03416	0.3
193.01311	0.8
193.04947	0.3
194.02045	0.2
195.02879	1.3
199.03882	0.7
203.03366	1.1
204.03999	0.2
207.02861	0.7
207.06384	0.1
208.03572	0.2
209.04431	0.2
216.04126	0.3
217.04918	7.0
218.05293	0.2
219.02817	0.4
221.04355	0.6
221.37766	0.1
227.03316	0.7
229.04916	0.4
229.29462	0.1
231.02769	0.7
232.03595	0.4
233.04451	0.3
235.02332	0.4
235.05956	0.7
239.01744	0.2
244.03603	0.6
245.04414	9.1
246.04823	0.3
249.03914	0.1
255.02829	1.0
257.04373	0.2
259.10995	0.2
261.03815	0.2
263.05502	1.0
272.03116	0.4
273.03888	8.1
273.12207	0.2
274.04303	0.4
283.02283	0.2
290.04160	2.0
291.04868	0.3
301.03357	1.7
301.11560	0.2
302.04190	0.2
319.04410	100.0
320.04776	4.0
320.08749	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1647
Annotation	Phomamide
Peak:m/z	Relative Intensity
53.03918	0.6
55.05495	1.2
56.05025	0.5
57.03431	3.7
63.72520	0.4
64.12586	0.4
67.05479	0.7
69.03405	0.5
69.07046	0.7
70.06578	2.3
71.05039	0.7
72.08130	1.7
79.05457	1.3
81.07044	3.6
82.06543	0.5
84.04462	0.6
84.08121	2.2
84.11553	0.4
86.09695	2.8
88.03953	0.5
91.05444	0.6
93.07042	0.4
95.04942	1.0
96.08093	0.9
97.06512	0.4
98.09677	0.4
99.08026	0.5
107.08557	0.5
110.07168	0.5
116.04928	0.5
118.06494	1.1
120.08102	0.7
122.05997	0.5
128.07042	1.1
129.10272	0.5
130.06502	23.8
130.08586	1.3
131.04846	0.4
131.05980	0.5
132.04414	0.7
132.08067	0.7
135.08006	0.5
142.06453	0.4
142.08604	0.6
143.05905	0.6
143.11702	0.5
144.04353	0.4
144.08063	1.6
146.05960	2.3
148.07544	0.5
156.05603	0.8
156.06778	7.4
156.07951	0.5
157.07585	47.0
158.06017	3.3
158.07973	1.3
158.09540	0.7
159.09126	0.7
160.07565	2.6
167.07201	0.7
168.08047	1.7
169.07582	3.1
172.03857	0.7
174.05431	0.8
174.09027	0.4
178.05009	0.6
182.08305	1.1
183.09111	0.9
184.09590	0.4
185.07112	3.3
185.10701	3.2
186.09061	0.6
187.08771	0.4
188.07042	0.7
188.98375	0.5
197.10654	1.5
202.07346	2.6
203.08127	44.4
204.08295	0.8
211.12244	2.8
213.10277	0.6
213.13814	0.6
216.06456	0.8
226.10936	0.7
227.11688	1.0
229.13329	1.6
239.11707	1.1
255.11009	0.6
257.12796	22.1
258.13055	0.6
270.09976	0.7
272.11481	1.3
273.12183	0.5
275.13843	2.0
283.10690	0.7
283.14325	0.9
301.11890	8.7
301.15372	100.0
302.15674	4.2
319.08945	0.9
319.12726	5.4
319.16415	20.9
320.16940	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	2.3
55.05484	2.2
56.05015	2.5
56.96547	1.4
57.03414	3.7
60.04525	1.3
61.02911	3.1
61.45543	1.1
65.03928	5.7
67.05490	31.5
68.05013	1.2
69.03416	9.4
69.07043	4.6
70.04411	4.7
70.06584	10.0
71.04961	1.5
71.22737	1.0
72.08139	34.8
73.02900	2.3
73.11259	1.0
78.21603	1.0
79.05446	2.9
81.03410	5.1
81.07020	3.3
82.02911	1.1
82.06541	1.4
82.63334	1.0
83.04952	2.5
83.06086	1.8
84.04486	12.6
84.08107	6.8
85.02889	26.2
86.06037	1.9
86.09690	80.6
87.04459	1.8
87.09998	2.3
88.03960	3.7
88.11243	2.4
91.05435	1.9
93.03383	4.2
93.06979	1.4
94.06573	1.3
95.04961	12.6
95.06063	1.4
96.04474	10.5
96.08085	1.5
97.02876	11.8
97.06539	1.3
99.04440	1.4
100.02163	1.9
102.01764	7.8
102.05519	4.4
103.03896	3.1
105.06981	1.5
106.06516	2.6
109.02856	4.7
110.06004	4.1
110.07153	5.3
111.04388	3.6
111.58810	1.0
114.05473	1.9
116.07072	1.4
117.03339	1.2
119.04897	1.9
120.08058	2.0
121.02810	1.3
121.06537	1.5
122.06052	1.2
123.04393	1.9
124.07565	3.0
125.02309	2.5
126.05477	1.5
127.03878	7.1
128.07066	1.5
129.10201	1.7
130.04988	1.9
130.08577	1.4
131.03413	1.0
134.05977	8.0
135.04381	1.7
136.07538	1.4
137.05933	3.6
138.05469	96.7
138.09093	1.8
139.03870	3.0
140.07025	2.4
141.01169	5.8
141.06580	1.2
143.11766	10.0
145.02834	1.3
145.04919	4.3
147.04372	2.1
148.05994	4.3
148.07521	2.9
150.05457	1.8
151.07498	1.4
152.07030	3.5
153.05449	2.0
155.06021	1.1
156.06523	100.0
156.07635	5.5
157.04884	2.1
157.13313	9.9
162.05461	2.2
163.03908	4.9
167.06979	1.1
168.06531	3.7
169.00626	4.1
171.11224	3.1
176.06999	5.4
177.05304	1.1
178.04947	1.0
179.06889	1.3
180.06520	43.5
185.09189	1.1
185.12828	4.8
185.16447	22.6
187.01721	2.5
189.12373	1.9
197.08064	1.9
197.12834	6.9
198.07562	18.7
198.13080	1.0
204.06534	8.8
205.04379	2.3
205.11803	1.3
213.15939	15.1
215.13924	2.3
222.07518	13.7
225.12273	5.9
234.07550	2.4
246.07530	2.5
252.08617	1.6
264.08578	4.0
300.10440	1.6
318.12100	11.4
318.30099	1.6
319.12692	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.2
55.05502	2.3
56.05014	5.0
57.03423	7.6
59.04961	1.9
60.04493	2.6
61.02919	9.2
67.05495	4.3
69.03413	20.4
69.07061	2.3
70.06583	22.2
71.04967	6.8
71.09032	3.9
72.08150	10.0
73.02897	6.5
74.06051	3.4
79.05463	2.5
81.03414	9.1
82.06556	2.9
84.04494	10.8
84.08135	8.3
84.91070	1.5
85.02894	100.0
85.06535	3.0
86.09695	54.2
87.04444	4.9
87.10036	3.0
88.03977	5.4
91.03936	8.6
91.05444	5.5
93.07014	4.1
95.04925	4.7
95.08583	3.7
96.04447	2.2
97.02303	2.2
97.02878	28.6
99.04420	5.4
102.05527	6.1
103.05418	1.9
105.01835	2.8
107.08572	1.8
109.02850	7.7
109.81915	1.6
110.07150	3.0
110.09641	1.4
114.05582	2.7
115.03918	2.1
116.07080	2.0
119.04941	2.3
119.08546	2.2
120.08044	1.8
121.06491	73.1
127.03901	24.6
129.10213	3.4
130.04951	4.4
130.08626	2.3
132.10158	5.5
135.20958	1.5
137.05949	2.7
138.05475	31.2
138.09122	12.1
139.03871	2.7
141.06590	3.7
143.11819	3.0
144.06537	1.8
145.04942	43.3
145.06152	2.0
147.04379	4.5
153.05472	2.1
156.06548	18.9
156.10191	26.2
158.97266	1.8
159.07687	3.6
161.05943	2.1
162.07579	1.7
163.06020	8.4
173.12935	2.4
179.06969	3.4
180.08658	24.4
187.07420	13.4
189.12328	12.8
201.12283	12.7
205.08630	9.6
229.08604	5.2
229.11818	3.7
234.98819	2.1
243.13324	3.2
247.09584	3.4
265.10654	3.6
318.15836	8.2
319.13266	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	318.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91886	0.3
53.03924	0.5
55.01848	1.2
55.05492	1.3
56.05009	1.1
57.03420	1.0
59.78664	0.4
60.04508	2.2
61.02920	1.9
67.05473	1.3
69.03405	4.7
69.07065	2.1
70.06577	5.1
71.04967	1.1
71.54069	0.3
72.08133	4.2
73.02901	1.0
74.06067	0.4
79.05466	0.8
81.03403	2.3
81.07029	1.4
82.06543	1.3
83.04971	1.0
83.08621	0.6
84.04466	1.3
84.08131	2.4
85.02884	8.5
85.06511	0.4
86.09688	7.8
87.04449	1.0
88.02192	0.6
88.03977	1.0
91.03930	0.9
91.05461	1.8
93.07017	2.2
94.06522	0.6
95.04965	0.9
95.08611	1.8
96.04488	2.5
96.08093	1.7
97.02877	3.5
97.05267	1.8
97.06507	1.8
99.04436	1.1
100.07586	0.7
103.05452	0.5
105.07040	2.2
107.04904	0.7
107.08595	0.9
108.08086	0.5
109.02850	1.5
109.06493	1.0
110.06015	5.0
110.07143	1.8
110.09655	2.6
111.04411	0.9
111.08056	0.9
113.05988	0.6
116.07063	0.6
117.06983	0.6
119.04912	0.4
119.08549	0.8
120.08057	2.6
121.06492	3.3
122.02702	0.7
122.05997	0.6
122.06773	0.4
123.04404	0.5
124.07552	0.8
125.08323	0.7
126.05512	0.4
126.09134	8.6
127.03880	2.0
128.10672	1.0
129.10201	1.2
130.04942	0.5
130.06546	0.6
131.04886	0.8
133.06444	0.9
133.10103	0.7
134.02632	0.4
135.07968	0.4
136.07549	1.1
137.05925	1.3
138.05470	3.6
138.06372	0.5
138.09109	21.3
139.03853	0.5
139.07503	1.8
139.09439	0.4
140.05255	0.4
141.06880	0.4
143.08531	0.4
144.06569	0.6
145.04927	1.4
145.06349	0.5
147.04338	0.6
151.03941	0.7
151.07535	1.1
152.07823	1.1
152.10609	0.7
153.06961	0.5
153.09079	0.6
155.08470	0.4
156.06558	1.6
156.10164	100.0
157.10675	2.1
159.11256	1.0
159.29733	0.5
161.05957	0.9
162.05461	0.5
165.05750	0.4
165.06981	2.7
167.06981	1.0
168.07373	1.2
168.10143	1.4
169.06406	0.6
169.08652	0.4
170.05888	0.5
172.03966	0.4
173.05933	0.7
173.12827	4.2
177.05411	0.6
177.09070	0.6
178.04913	0.5
179.10571	0.7
181.06332	0.9
183.07976	5.0
183.09453	0.5
193.06409	0.8
197.11696	0.5
201.12285	0.6
209.05957	2.0
209.07869	0.7
210.08316	2.0
211.07451	3.3
227.11833	0.6
228.09663	0.6
230.11693	0.6
236.09857	0.4
237.05359	3.7
255.06458	9.9
256.06885	0.6
259.10706	0.4
265.10471	0.5
272.08981	3.6
272.10971	0.4
273.12366	0.6
274.04971	0.4
282.07623	0.5
283.05997	0.5
283.10645	0.5
295.51260	0.4
300.09219	0.7
301.07043	0.9
301.11697	2.8
318.09503	4.5
318.15680	4.4
319.04724	0.6
319.09299	0.6
319.12573	1.8
319.16116	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.8
55.05498	1.0
56.05017	1.3
56.96547	1.0
57.03420	1.3
61.02903	2.8
62.05314	0.7
64.97343	0.7
68.05015	0.9
69.03421	3.6
69.60322	1.5
69.60724	3.1
70.06563	3.3
71.04971	3.2
72.08144	5.4
73.02931	1.2
77.00898	0.8
81.03402	12.2
81.04501	2.0
82.06549	2.9
82.99845	1.1
83.06104	4.2
84.04479	2.3
84.08129	7.9
85.02900	4.6
85.08445	0.8
86.09687	7.8
87.04458	0.9
88.02206	1.4
88.94022	0.7
95.06071	17.6
96.04471	2.1
97.02846	1.3
99.04449	2.5
100.00135	0.8
100.07590	1.9
101.00859	7.1
102.05565	1.2
108.05594	1.1
109.02846	7.5
109.06398	2.0
110.06007	0.9
110.07148	20.1
111.04405	1.5
111.05535	1.7
112.08691	1.4
113.00912	0.9
115.02376	1.1
119.01902	26.5
119.04875	1.5
120.01945	1.9
122.07115	2.1
124.02347	0.8
124.08710	2.5
126.05437	1.2
127.02378	1.0
127.03908	2.7
130.08606	5.9
131.01869	3.2
133.03427	7.0
137.02942	8.4
137.05956	4.7
138.05457	9.3
139.02403	1.1
143.01859	5.3
143.11754	1.2
145.03531	6.5
146.08096	2.7
147.04340	1.6
148.06004	0.9
151.04523	2.1
154.09682	0.9
156.02617	1.4
156.03748	0.9
156.06506	10.9
156.07674	18.1
157.03438	22.4
157.13345	1.1
158.03581	1.1
159.01390	3.4
159.04988	1.4
160.02217	1.6
161.02922	21.5
162.03081	0.8
163.04553	1.9
167.01880	1.6
169.03493	1.8
171.05002	2.0
172.09566	1.4
173.02931	2.0
175.04498	17.8
177.05400	1.7
179.04044	2.2
179.06992	1.5
181.03491	0.9
183.04980	2.2
184.04518	0.9
185.02919	9.9
185.09123	1.0
185.16370	1.5
186.04607	1.0
186.06044	4.3
187.04468	4.2
189.06065	1.9
190.09711	14.2
191.04021	1.2
194.09258	0.8
199.00980	1.1
199.04472	3.6
201.06018	4.3
202.09654	1.6
203.03940	8.9
204.05447	1.5
204.07118	6.2
206.08861	1.3
209.03053	0.9
212.07524	0.8
213.16013	1.3
217.02025	1.1
217.05463	3.5
220.10806	3.3
221.05139	1.7
222.06279	1.4
222.08192	6.3
227.03984	2.5
230.08780	1.3
231.03375	1.0
235.06531	1.2
236.10211	1.4
237.06201	1.8
238.11853	10.1
240.07129	1.8
245.05049	2.7
245.14940	0.9
246.08308	1.1
248.09737	1.4
253.07761	1.9
256.12943	1.4
258.08295	1.0
259.06580	3.1
260.10104	0.9
263.06165	0.9
264.09445	0.9
276.09738	5.4
277.01495	1.6
277.07605	44.3
277.99945	1.2
278.07727	2.8
278.10553	1.2
282.10739	5.4
294.10352	1.8
295.08694	100.0
296.08856	6.4
300.08939	0.7
300.11768	4.3
304.08734	0.7
318.09641	7.2
318.12985	5.4
318.20117	3.7
319.07593	1.1
336.11322	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1006
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.1
56.96555	1.8
57.03415	0.9
58.99858	1.0
60.04503	0.8
61.02910	2.0
63.00205	0.8
69.03419	3.3
70.06577	3.0
71.05009	1.3
71.50979	1.4
72.08140	3.2
73.02916	1.1
81.03408	2.6
82.06598	1.1
83.06096	1.8
84.04482	2.3
84.08112	4.6
85.02902	4.9
85.08442	1.2
86.09696	4.7
91.05469	8.1
95.06085	6.9
96.04469	1.5
97.02873	1.9
98.97556	1.5
101.00862	3.4
109.02863	2.2
109.51250	0.9
110.06024	4.4
110.07166	5.7
119.01907	8.6
119.04926	25.1
121.06517	0.8
122.03599	2.1
127.03943	1.6
128.98627	0.9
129.10199	2.1
130.08629	1.5
133.03441	2.4
133.06137	0.9
136.06163	1.8
137.02974	2.5
137.05959	100.0
138.05476	74.5
143.01807	2.0
143.11807	1.1
145.03458	3.4
145.04893	0.9
147.04385	52.3
148.04697	2.0
151.07497	2.0
156.06532	49.5
156.07683	5.1
157.03470	4.3
159.01254	1.3
161.02914	7.3
175.04524	5.4
177.05418	2.8
178.00856	1.8
179.07004	48.0
180.07339	1.4
184.00336	0.9
185.02927	1.9
187.04506	2.4
189.02406	1.0
190.09740	4.7
191.04012	1.4
193.03229	6.5
197.08064	6.5
199.04509	1.1
201.06070	1.5
201.12422	0.9
203.04045	2.8
204.05371	1.2
214.56140	0.9
215.00490	0.9
217.01927	2.5
235.03020	1.6
238.11845	3.8
259.03006	2.4
277.04144	2.8
277.07654	10.6
282.10776	1.7
295.08759	26.4
300.12030	1.2
318.12274	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	317.065
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
50.26793	0.1
65.00652	0.1
65.03915	0.5
65.35828	0.1
68.99790	0.5
70.10346	0.3
70.10741	0.3
92.02609	2.8
93.03386	2.1
94.04158	0.2
95.01298	0.2
109.02795	0.2
111.00787	0.3
117.07044	0.1
121.02844	1.6
122.03597	0.2
126.03088	0.9
133.02827	0.2
137.02315	0.5
137.05968	0.3
139.03870	1.3
145.06537	0.2
146.96887	0.1
150.03131	0.2
151.03870	1.5
151.04955	0.2
151.07545	0.1
151.37630	0.1
152.01059	0.3
153.01802	13.8
154.02222	0.2
155.04965	0.1
156.99908	0.1
163.03883	0.4
165.01785	1.1
166.02583	0.3
173.05936	0.4
176.04721	0.2
177.05396	0.4
179.03400	0.2
183.02904	0.3
183.04390	0.3
187.03903	0.2
190.06105	0.2
199.34698	0.1
200.04636	0.5
201.05414	1.3
203.03377	1.1
203.27176	0.1
204.04105	0.2
217.04924	2.0
218.05711	1.1
219.02849	0.4
228.04124	3.3
229.04922	6.2
230.05299	0.2
231.02892	0.9
232.03598	0.1
233.04288	0.1
239.03307	0.2
243.06248	0.2
245.04414	2.9
246.05211	3.1
256.03665	0.4
257.04388	4.2
260.03162	0.6
261.07504	0.5
271.06018	0.2
273.03882	3.1
274.04657	6.2
275.05005	0.2
284.03223	0.9
285.03882	6.9
286.04425	0.4
287.01706	0.2
288.06186	0.3
301.03436	0.2
302.04156	19.4
303.04391	0.6
317.06494	100.0
318.06851	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	317.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.2
65.03931	0.6
67.01841	0.1
67.05482	0.3
68.99775	0.3
69.07053	0.1
69.91034	0.2
69.91452	0.2
70.06561	0.1
71.04941	0.1
72.08109	0.1
81.03404	0.2
81.07029	0.3
83.04960	0.1
84.08118	0.1
85.02959	0.1
87.04480	0.1
91.05464	0.2
92.02038	0.2
92.02603	2.2
93.03385	2.3
93.07005	0.3
94.04172	0.2
95.01310	0.2
95.04930	0.2
95.08582	0.3
105.03342	0.1
105.07016	0.2
107.04951	0.1
107.08553	0.2
109.02835	0.5
109.06480	0.2
109.10117	0.2
111.00767	0.4
112.82635	0.1
117.06993	0.1
119.08538	0.2
120.02087	0.1
121.02838	1.9
121.06454	0.1
121.10091	0.1
122.03605	0.3
123.04352	0.1
123.08086	0.1
124.05142	0.1
126.03101	0.9
126.70289	0.1
131.04861	0.1
131.08554	0.2
131.93039	0.1
133.02811	0.2
133.10080	0.1
135.04413	0.1
137.02296	0.4
137.05936	0.7
139.03873	1.5
145.02769	0.1
145.06441	0.2
145.10068	0.1
147.11609	0.1
149.02313	0.1
149.05914	0.1
149.09570	0.1
151.03851	1.1
151.07541	0.1
151.11130	0.1
153.01793	14.8
154.02228	0.2
155.04883	0.2
157.06422	0.1
159.04315	0.1
161.05963	0.2
161.09549	0.1
162.03046	0.1
163.03879	0.3
163.07526	0.1
165.01822	1.0
166.02586	0.3
167.06993	0.2
170.02046	0.1
172.05092	0.1
173.05972	0.4
175.07378	0.1
176.04659	0.1
177.01830	0.2
177.05446	0.4
179.03357	0.2
181.06308	0.1
183.02835	0.4
183.04405	0.4
184.05183	0.1
187.03889	0.3
189.05389	0.2
190.02609	0.1
190.06219	0.2
192.04126	0.2
194.02101	0.1
197.13283	0.1
200.04616	0.5
201.05431	1.5
203.03304	1.1
204.04164	0.2
205.04921	0.1
207.06454	0.2
211.03870	0.2
213.05418	0.1
217.04903	2.5
218.02278	0.1
218.05710	1.2
219.02815	0.7
228.04114	3.2
229.04907	6.2
230.05353	0.3
231.02847	0.9
232.03795	0.2
233.04581	0.1
239.03432	0.2
243.06508	0.2
245.04405	3.0
246.05171	3.0
247.02333	0.1
256.03528	0.4
257.04388	4.3
258.04855	0.1
259.02362	0.1
260.03143	0.7
261.07480	0.5
271.06082	0.4
273.03888	3.1
274.04663	6.4
275.05011	0.2
284.03104	0.8
285.03873	7.5
286.04465	0.3
287.01852	0.2
287.12772	0.2
288.06180	0.2
299.05496	0.1
299.12714	0.1
299.19958	0.2
301.03397	0.4
302.04141	19.7
303.04520	0.5
317.06479	100.0
318.06842	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	317.0648
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
55.01846	0.1
65.03920	0.4
65.82981	0.1
67.01849	0.1
67.05492	0.2
68.99783	0.3
69.03394	0.2
69.07045	0.1
69.53262	0.9
70.06562	0.5
72.08140	0.1
79.05468	0.2
81.03397	0.2
81.07040	0.2
86.09707	0.2
91.05450	0.2
92.02610	2.2
93.03389	2.4
93.07009	0.3
94.04211	0.1
95.01291	0.2
95.04967	0.1
95.08606	0.2
97.06445	0.1
103.05424	0.1
105.07002	0.3
107.04926	0.2
107.08585	0.2
109.02865	0.3
109.06476	0.1
109.10147	0.2
111.00756	0.3
119.08538	0.3
120.08138	0.1
121.02838	1.7
122.03619	0.3
123.04392	0.2
124.07623	0.2
126.03117	1.1
131.08563	0.1
133.02725	0.1
133.10127	0.1
135.04395	0.2
136.07465	0.2
137.02286	0.6
137.05956	0.5
137.09612	0.1
139.03874	1.4
145.06448	0.2
145.10042	0.2
147.04410	0.2
149.02324	0.1
149.09561	0.1
150.03113	0.2
151.03865	1.4
152.00981	0.1
153.01794	15.3
155.04843	0.3
161.05959	0.2
163.03897	0.3
165.01787	0.9
166.02583	0.3
166.08545	0.1
167.07025	0.2
169.10094	0.1
170.02051	0.2
173.05920	0.3
175.11002	0.1
176.04646	0.1
177.05452	0.4
179.03404	0.1
183.02837	0.3
183.04375	0.2
187.03920	0.2
189.05476	0.1
190.02527	0.1
190.06316	0.2
200.04625	0.7
201.05424	1.6
203.03343	1.5
207.06416	0.2
217.04915	2.4
218.05713	1.1
219.02887	0.5
228.04124	3.2
228.06390	0.2
229.04916	6.1
229.15431	0.1
231.02846	0.9
233.04434	0.1
239.03297	0.2
243.06525	0.2
245.04407	3.1
246.05171	2.7
256.03619	0.5
257.04401	4.3
258.04883	0.1
259.02176	0.1
260.03177	0.7
261.07529	0.4
271.05896	0.3
273.03873	3.1
274.04657	6.4
275.04950	0.1
284.03055	0.8
285.03870	7.1
286.04358	0.2
287.01825	0.2
288.06143	0.4
289.03683	0.1
301.03375	0.4
302.04147	19.4
303.04498	0.5
317.06488	100.0
318.06812	3.1
337.11804	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	316.2841
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
55.01875	0.5
55.05504	4.1
56.05026	4.0
56.48051	0.2
57.03432	0.6
57.07064	1.9
58.02956	0.4
60.04516	100.0
61.04856	0.6
67.05497	8.3
68.05021	0.7
69.03414	0.4
69.07059	5.1
69.97019	1.0
70.06575	0.9
71.04978	0.5
71.08628	0.8
72.04505	2.3
73.02914	0.3
74.06066	2.5
79.05485	3.7
80.05022	0.7
81.03407	0.4
81.07043	8.0
81.63053	0.2
82.06577	1.6
83.04959	0.5
83.08607	3.1
85.10188	0.5
86.06062	0.8
87.04470	0.9
90.05546	1.1
91.05456	2.2
93.07027	2.7
94.06584	0.8
95.04971	0.8
95.07370	0.3
95.08592	6.6
96.08134	0.7
97.06514	0.5
97.10139	1.8
98.06063	0.4
100.07619	0.6
102.05501	0.3
105.07010	1.4
107.08603	2.1
108.08131	0.2
109.10128	2.8
111.11707	0.6
112.07549	0.4
112.80280	0.2
116.07105	0.3
119.08611	1.4
121.10133	1.6
123.08026	0.4
123.11700	1.0
133.10117	0.9
135.11670	0.7
137.09650	0.4
137.13255	0.6
147.11662	0.4
159.87784	0.2
170.31519	0.3
182.62843	0.2
219.21001	0.3
233.88773	0.3
236.23848	0.3
237.22055	0.3
245.22734	0.4
250.25320	1.0
262.25232	1.3
263.23657	0.3
268.26349	0.5
280.26315	10.9
281.26511	0.6
298.27356	15.0
299.27737	0.9
316.28406	57.9
317.21060	0.5
317.28760	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.8
55.05500	0.8
56.05022	0.8
58.99582	0.6
59.04987	4.1
60.04522	2.7
67.05492	1.4
68.04987	0.5
69.03416	2.9
69.07048	1.3
69.47232	0.8
69.47643	2.2
70.02948	0.6
70.06583	11.0
71.04987	0.7
72.08134	2.9
73.02905	1.8
73.06531	0.6
74.06053	0.7
76.02217	0.7
79.05477	0.8
81.03408	0.7
81.07052	1.1
82.06557	0.5
83.04973	0.5
84.04496	2.1
84.08133	4.5
85.02898	1.1
86.00672	0.4
86.09693	18.8
86.99048	0.5
87.04454	100.0
87.10014	0.4
88.02219	0.7
88.03982	1.4
88.04788	0.7
89.06021	5.3
91.05471	2.1
93.07027	0.8
94.06566	0.4
95.04969	0.8
95.08594	0.9
96.04492	0.4
97.01073	0.4
97.02860	0.6
97.06515	0.8
99.04438	0.4
99.05632	0.5
100.07583	0.4
102.03759	0.5
102.05518	0.4
103.07562	0.6
105.00035	0.4
105.07028	0.6
107.04945	1.0
109.02882	0.7
109.06542	0.4
110.06055	0.4
110.07114	0.3
110.09693	0.4
111.08107	0.3
112.05066	0.5
112.07601	0.4
113.05983	1.9
113.07152	0.4
115.05022	0.4
116.01675	0.5
116.07075	13.4
118.03228	0.8
119.04964	0.7
119.08553	0.6
120.08110	0.6
121.06491	0.7
122.02706	1.9
123.04424	1.0
123.08044	0.4
124.07601	0.9
125.09604	1.0
126.09126	1.1
127.03902	0.5
128.10725	0.6
129.10213	1.8
130.05006	0.4
130.06519	0.4
130.08621	0.6
131.07011	6.1
131.08548	0.6
133.06541	0.5
133.08630	0.5
135.04408	0.3
135.08096	0.5
136.07552	1.0
137.05943	2.0
138.09111	2.1
139.07532	0.4
140.07045	0.6
143.11842	0.4
145.06122	0.9
146.02713	1.3
146.06372	0.5
147.04366	0.9
147.08064	0.3
148.04237	0.6
149.05975	0.6
149.09651	0.8
151.07527	1.6
153.01888	0.7
153.05449	0.5
154.02191	0.4
154.08604	1.4
157.08580	2.2
157.09682	0.7
162.02235	0.4
162.06625	0.4
164.06985	0.5
166.08623	2.5
167.07047	1.0
169.07571	0.6
169.13351	0.5
173.12823	6.0
173.14215	0.4
175.09630	26.6
177.05539	0.4
177.09094	1.0
178.04898	0.5
179.07074	0.6
179.08719	0.4
181.08447	0.5
184.09677	0.5
185.05634	0.6
185.09229	1.1
185.14082	0.4
195.10135	0.8
199.18011	3.4
201.12334	1.6
203.13960	0.5
205.06750	0.7
211.07666	0.4
219.12274	0.7
227.17622	2.0
229.15538	1.0
253.08891	0.3
260.63779	0.3
263.14850	10.3
270.11511	3.7
271.10718	0.5
281.09241	0.5
281.15842	1.7
298.12405	0.5
298.18579	0.4
299.09369	2.4
316.12195	8.1
316.15811	1.9
316.19028	0.8
317.11581	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	316.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.6
55.01857	0.7
55.05493	1.0
56.05023	0.7
57.03415	0.9
58.37277	0.2
58.99570	0.3
59.04980	0.4
60.04514	4.4
61.02922	1.6
63.22590	0.2
67.05473	0.9
69.03417	4.4
69.07044	1.1
69.78133	0.8
69.78527	0.5
70.02939	0.3
70.06581	7.9
71.04976	0.6
71.06906	0.4
72.08141	6.4
73.02901	0.7
74.06063	0.4
79.05481	1.3
80.04988	0.5
81.03410	1.5
81.07042	2.3
82.06553	1.5
83.04987	0.3
83.06099	0.7
84.04479	1.0
84.08131	5.2
85.02889	7.9
85.08462	0.5
86.09691	20.9
87.04453	4.8
87.05568	2.2
88.02215	0.4
88.03958	1.7
89.05990	0.4
91.03930	0.4
91.05460	3.9
93.05775	1.3
93.07030	1.6
94.06548	0.9
95.04980	0.6
95.06091	0.3
95.08598	0.8
96.04459	0.4
96.08135	0.5
97.02882	3.3
98.21494	0.3
99.04420	0.6
100.07598	1.2
101.07124	0.4
101.07931	0.4
102.09155	0.6
105.07027	0.5
105.25556	0.3
107.04912	0.6
107.08551	0.4
107.92818	0.2
108.08096	22.0
109.02852	1.2
109.06490	1.5
109.08392	0.3
110.05984	0.3
110.07138	5.6
110.09648	0.4
111.04422	0.3
112.07510	0.3
112.08687	0.3
116.07073	13.7
117.05703	0.4
118.06481	0.3
119.04904	0.7
119.08509	0.3
120.08083	1.3
121.06464	0.5
122.02702	0.7
122.06001	0.8
123.06778	1.4
124.07568	17.0
126.09126	1.2
127.03902	2.1
128.10692	1.0
129.06570	0.3
129.10210	2.9
130.04959	0.3
130.06512	0.4
130.08664	0.5
131.04863	0.4
131.07025	0.4
132.08031	0.4
135.08041	0.3
136.06474	0.5
136.07552	11.1
137.05959	3.4
137.08121	0.3
138.09088	1.3
140.07031	0.5
143.11797	0.4
145.04906	1.1
147.04329	0.3
148.07532	0.6
149.05978	0.5
149.09546	0.6
150.09108	0.6
151.07500	1.2
153.01808	0.5
154.02159	0.8
154.08598	100.0
155.08966	1.8
156.07646	4.3
163.07497	0.3
164.06995	0.3
166.08618	3.5
170.06221	0.4
171.14859	1.4
172.13251	1.5
173.12785	9.8
175.09627	1.1
177.08986	0.5
178.08534	0.5
184.09709	0.3
195.10124	0.6
196.09676	0.7
199.14420	1.2
199.18027	2.8
201.12314	1.9
203.13878	0.9
209.05971	0.3
216.10143	0.3
216.12251	0.3
227.17470	1.5
270.13467	0.3
272.66727	0.3
280.11606	0.4
284.09747	0.3
298.11920	0.4
299.09912	0.7
299.13071	0.5
303.14499	0.7
316.13879	3.9
316.18103	1.3
316.26288	1.6
316.68491	0.3
317.11237	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.5
55.01847	0.8
55.05488	0.8
55.24416	0.2
56.05012	0.4
57.03417	0.6
58.99562	0.4
59.04984	0.5
60.04263	0.3
60.04518	3.5
61.02922	1.9
65.03915	0.3
67.05482	0.9
67.28542	0.3
68.05007	0.4
69.03419	3.5
69.07056	1.5
69.07401	0.3
70.02905	0.4
70.06205	0.4
70.06580	8.6
71.04977	0.4
71.51442	0.5
72.04533	0.3
72.08144	5.7
73.02887	1.0
73.08457	0.4
74.02427	0.3
74.06089	0.4
79.05468	1.2
80.04997	0.5
81.03397	1.5
81.07037	2.8
82.06573	1.6
83.06082	0.5
84.04489	1.5
84.08124	3.6
85.02373	0.3
85.02887	8.1
86.09689	22.6
87.04449	4.2
87.05578	1.8
88.02189	0.5
88.03981	2.0
91.03941	0.4
91.05463	3.8
91.44702	0.3
93.05766	1.0
93.07010	1.5
94.06544	1.2
95.04958	0.6
95.08595	0.7
96.08097	0.6
97.02872	3.4
97.06470	0.4
99.04426	0.5
100.04018	0.3
100.07612	1.3
101.07130	0.7
101.07887	0.4
102.05516	0.3
102.09146	0.3
105.07040	0.6
106.06528	0.5
107.04916	0.5
107.08548	0.4
108.08099	23.1
109.02865	1.6
109.06487	1.2
109.10088	0.3
110.07146	2.6
110.09639	0.4
111.04426	0.5
112.07600	0.3
112.08691	0.3
116.07072	21.8
119.04901	0.7
120.08074	0.8
121.06548	0.4
122.02716	0.7
122.05999	1.2
123.06816	1.4
124.07569	17.6
125.09586	0.4
126.09133	1.2
127.03880	1.7
128.10669	1.1
129.10168	1.3
130.06479	0.7
130.08566	0.4
132.08075	0.4
133.10069	0.3
134.04471	0.4
135.04393	0.3
136.07549	11.0
137.05968	3.2
137.08295	0.4
138.09128	1.6
140.07025	0.3
145.04973	1.3
146.06020	0.5
147.04329	0.5
147.07890	0.3
148.07585	0.5
149.05905	0.4
149.09607	0.4
150.09100	0.5
151.07510	0.9
153.01775	0.7
154.02119	0.8
154.08600	100.0
155.08995	1.3
156.07635	1.9
158.05954	0.3
166.07335	0.5
166.08597	3.1
167.07007	0.5
170.06329	1.2
171.14882	1.1
172.09578	0.3
172.13332	1.1
173.12759	9.7
175.09607	0.8
177.09113	0.4
178.08612	0.9
184.09685	0.5
188.07024	0.3
195.10080	0.5
196.09778	0.5
199.14403	1.1
199.18039	2.8
201.12331	3.0
203.13931	0.8
220.09488	0.3
227.17470	2.2
253.08215	0.3
262.10858	0.3
270.13126	0.3
280.11807	0.6
284.09744	0.3
298.12027	0.8
299.09952	0.6
299.13046	0.4
303.14490	0.3
316.14075	5.1
316.18234	0.5
316.26270	1.4
317.06357	0.4
317.11298	0.9
322.52710	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.0
55.05492	1.1
56.05023	1.1
58.99559	2.3
60.04512	1.3
67.05482	1.5
69.03407	1.3
69.07050	1.2
70.06583	10.3
70.61864	1.1
70.62252	1.0
71.01349	0.5
71.04976	1.2
71.84053	0.5
72.08128	2.8
73.02911	0.8
74.06067	1.0
76.02216	0.9
76.34419	0.5
79.05470	1.4
81.03394	0.7
81.07022	1.6
83.04945	0.6
84.04478	1.7
84.08128	8.7
84.69146	0.5
85.02892	1.3
86.09692	7.2
86.99030	1.5
87.04453	9.4
87.05585	0.6
88.02175	0.8
88.03959	2.2
91.05452	2.7
93.07019	2.7
95.04975	0.8
95.08582	1.7
96.04426	0.5
97.01070	0.6
97.06493	0.7
100.07594	0.7
105.00062	1.0
105.06995	2.2
107.04948	1.0
107.08590	2.4
108.08085	1.1
109.02839	0.6
109.06490	1.3
109.10119	0.7
110.06020	0.6
110.07130	1.3
114.05468	0.5
115.07513	0.6
116.07073	4.1
118.06406	0.5
119.08540	2.0
120.08017	0.7
121.06501	1.1
121.10127	4.5
122.02701	2.6
123.02612	1.5
123.04395	0.7
124.07568	1.8
125.09571	0.7
126.09132	6.4
127.03891	0.6
129.06961	0.5
129.10193	1.8
130.06514	1.6
130.08577	0.7
131.04929	0.6
131.06975	1.0
131.08549	3.8
132.04428	0.6
133.06404	1.4
133.10106	2.1
135.04407	1.2
135.08002	1.6
136.07549	1.8
137.04176	1.4
137.05936	2.2
138.09088	0.8
138.29355	0.5
139.05716	0.9
140.08176	0.6
145.10062	1.7
146.02672	0.8
147.04329	1.2
147.08011	1.0
149.04153	0.9
149.05956	0.8
149.09576	7.0
151.02055	1.1
151.07509	1.3
153.01826	0.6
153.05443	1.1
154.02170	0.7
154.08601	12.2
155.01564	0.8
157.09938	0.8
158.10947	0.6
159.08012	3.1
159.10316	0.7
163.02502	0.5
163.03870	0.9
163.05711	6.7
165.03635	0.9
165.07307	4.7
166.08618	1.4
167.01599	0.8
167.06946	1.2
167.10678	0.6
173.09572	0.6
173.12816	1.1
175.09642	2.2
175.13445	0.6
177.07317	2.9
177.09077	12.7
179.08813	1.9
181.06792	1.8
181.08519	1.1
183.08253	0.8
184.09605	0.8
189.07301	0.8
191.05251	3.3
191.06859	0.5
191.08852	1.5
193.06857	1.4
195.10101	1.7
201.12309	1.0
205.06781	7.3
205.10982	1.2
206.09880	1.0
207.08231	0.7
209.06253	3.9
210.08864	0.8
211.07811	0.7
223.07813	3.8
227.07417	3.1
229.15263	0.7
231.04886	0.7
235.07756	2.1
237.06577	0.8
252.10428	1.9
253.08893	1.7
259.03860	0.7
263.14847	0.8
270.11530	45.2
271.11761	1.7
280.11829	0.8
281.08447	2.2
282.08563	0.9
284.10190	0.6
298.10898	0.5
299.09412	21.0
300.09808	3.4
316.12064	100.0
317.07883	1.0
317.12091	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	315.2676
Annotation	Mansumbinone
Peak:m/z	Relative Intensity
54.42649	2.0
55.05501	14.9
57.07037	5.7
67.05491	24.3
69.07062	16.0
70.47478	4.4
71.04961	2.5
71.08580	2.4
79.05477	13.3
81.07042	83.1
83.08566	7.7
85.06533	26.1
91.05455	15.0
93.06505	2.6
93.07030	37.7
95.04940	2.8
95.08588	58.1
97.10112	6.0
99.08029	3.2
105.07013	35.5
107.08579	37.8
109.10131	22.9
111.08002	6.5
115.05444	2.6
117.06982	13.3
119.08559	39.8
121.10117	33.3
123.11636	8.0
125.09580	5.4
125.46754	2.3
128.49960	2.4
129.06963	3.4
130.07710	2.2
131.07622	2.5
131.08540	27.6
133.10098	19.9
135.11673	17.2
143.08472	6.7
144.09253	4.6
145.10101	59.2
147.11673	23.7
149.12202	2.7
149.13239	30.8
157.10133	15.0
159.11665	100.0
160.11955	2.9
161.13231	19.9
163.14775	13.1
171.11690	4.9
173.13257	33.6
175.14690	7.8
185.13205	4.1
187.14807	16.7
189.16362	11.5
191.17844	4.1
199.14664	7.6
201.16206	9.3
203.17807	8.4
213.16309	17.8
215.17929	33.3
217.19357	8.6
227.17877	5.4
229.19263	2.9
241.19348	7.0
271.24014	2.9
297.22739	3.0
297.25705	34.0
299.10941	3.0
315.14136	4.9
315.19656	3.4
315.22977	14.4
315.26633	86.4
316.26886	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	315.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01839	0.5
55.05503	0.7
60.04497	0.3
66.63140	0.3
67.05479	1.1
68.05010	3.3
69.03420	0.5
69.07050	1.0
70.06581	0.6
71.00288	1.0
72.08141	3.1
75.68605	0.3
79.05479	3.2
80.04987	0.8
81.03404	0.8
81.05780	2.3
81.07042	2.6
82.06565	0.4
83.04971	0.5
84.08133	0.7
86.09672	0.7
91.05472	0.9
93.07017	0.8
94.06558	0.4
95.04963	0.7
95.08591	0.6
96.04474	0.8
96.08109	5.7
100.07589	1.9
101.07910	0.7
105.07015	0.6
106.06534	1.2
107.04902	0.6
107.08549	0.6
109.02861	0.4
109.10142	0.7
110.06013	3.1
110.09612	0.4
116.04964	3.2
118.06531	1.0
119.04941	0.3
120.08092	0.8
121.10107	0.5
124.07564	93.6
125.08424	4.1
126.09111	1.2
131.04851	0.4
134.06030	0.6
137.02307	3.2
137.06003	0.5
138.09109	0.8
141.01791	0.7
144.04410	6.3
146.05975	21.8
147.06763	0.8
148.03952	0.3
148.07539	12.1
148.11172	0.4
153.01772	0.7
155.06046	1.2
161.05948	0.5
162.05466	3.2
164.07034	0.4
165.01851	1.3
167.05920	0.6
168.08061	0.5
169.07559	1.0
172.03900	23.3
173.04495	0.5
174.05478	2.6
182.05911	0.8
183.02899	0.8
183.05447	0.7
185.07106	1.4
190.04951	100.0
191.05441	2.1
192.06500	13.3
195.05554	1.8
195.09169	1.0
199.18896	0.5
201.06465	0.5
205.07597	0.5
208.05034	0.5
213.06493	1.1
216.03423	0.4
221.06984	0.5
222.07773	1.0
223.08672	3.0
225.05289	0.5
227.08057	1.3
229.06117	0.7
241.09563	0.5
251.08127	6.2
255.07558	1.6
255.09935	0.8
269.09143	3.9
269.12735	1.1
269.19061	0.4
270.09512	0.5
279.07602	4.4
283.09573	1.4
297.08603	8.9
297.12234	3.4
297.17996	0.8
297.25418	0.6
298.09048	0.7
315.04892	14.1
315.09528	8.1
315.13254	14.1
315.19180	0.5
315.23032	0.5
315.28375	2.7
316.05304	1.3
316.13391	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94250	0.3
55.05500	0.5
56.05019	0.4
56.96560	0.5
58.06583	1.0
67.05492	1.1
68.92319	0.3
69.03426	0.5
69.07050	0.5
70.06586	4.4
71.04987	0.4
71.19633	0.7
72.04511	4.0
72.08144	93.8
73.08481	1.0
81.03396	0.4
81.07043	0.6
82.06557	0.4
83.19350	0.3
84.08128	4.7
85.02876	0.4
86.09689	0.5
94.79793	0.3
97.02875	0.6
98.09686	1.5
100.07601	80.7
101.07930	0.5
103.03916	0.5
105.03360	0.7
108.08097	0.4
109.10126	1.8
110.07153	0.6
110.09657	2.0
112.07626	0.8
114.09148	1.2
115.12414	0.4
116.07069	0.4
117.10255	0.4
120.08080	0.5
129.10258	0.5
136.06142	1.4
138.12802	0.5
140.14348	1.5
142.05408	0.3
147.04428	1.0
151.03880	0.5
151.70537	0.3
153.01823	0.9
154.12204	0.6
156.13800	0.4
157.13341	2.9
158.15373	2.2
166.15868	0.4
167.06987	0.8
167.18736	0.4
169.13332	1.1
171.14899	17.7
180.17451	0.4
184.16972	1.2
188.17546	0.7
198.18503	19.6
203.21126	0.8
225.19608	0.6
226.17976	2.5
228.19505	1.7
243.20628	6.4
245.22235	1.0
250.12996	0.3
271.23447	0.4
296.26913	0.6
297.25220	1.8
314.27960	100.0
315.28326	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	314.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36836	0.4
58.06586	0.8
59.94868	0.5
67.05486	1.7
70.06580	2.3
70.24973	1.2
72.04498	3.8
72.08141	93.8
73.08482	0.5
83.08640	0.5
84.08141	2.8
98.09687	1.7
100.07596	75.7
101.07963	1.0
109.10150	1.9
110.09657	2.0
114.09143	1.1
117.10282	0.6
140.14352	0.5
156.13834	0.8
157.13362	2.4
157.14478	0.4
158.15376	1.8
169.13310	0.9
171.14891	18.4
184.16995	1.2
188.17503	1.2
196.68671	0.4
198.18495	21.0
199.18826	0.7
203.21123	0.5
226.18001	2.2
228.19562	1.0
243.20633	8.3
245.22150	1.5
264.82516	0.4
290.82523	0.5
296.26706	1.0
297.25293	1.9
314.27945	100.0
315.28226	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	314.138
Annotation	N-Feruloyltyramine
Peak:m/z	Relative Intensity
53.03924	0.9
55.01860	0.8
55.05494	0.4
61.19915	0.5
63.02361	0.6
67.05476	1.9
69.03408	0.8
69.07052	1.1
70.06566	1.9
71.52505	0.8
72.04484	1.0
72.08144	24.2
79.05471	1.3
81.03375	0.8
81.07030	3.3
83.04988	0.5
84.08107	1.5
85.02867	0.5
86.06061	1.0
86.09663	1.1
89.03921	3.6
91.05463	8.2
93.07029	12.9
94.07360	0.6
94.10088	0.5
95.04950	3.6
95.08573	1.8
96.48079	0.5
97.02912	0.5
97.06474	0.6
100.07601	19.6
100.08269	1.0
103.04807	0.7
103.05451	8.0
105.07037	2.2
106.07339	0.6
107.08543	0.9
109.02876	1.0
109.10118	1.4
117.03360	17.1
119.04894	0.9
119.08553	0.9
121.06483	56.2
121.10084	0.7
122.06032	0.5
122.06792	1.9
133.10094	0.6
135.04372	1.5
137.02345	0.6
137.05905	0.8
145.02824	51.5
145.10025	0.5
146.03188	1.4
147.11670	0.6
149.05960	5.6
150.06355	0.5
151.07547	0.7
153.01894	0.8
154.06236	0.4
161.05933	0.9
163.03885	1.0
164.11533	1.2
165.05476	0.8
166.04996	0.6
171.14885	4.3
177.05443	100.0
178.05721	2.6
185.07115	0.8
186.05498	1.8
194.08167	1.1
195.05551	0.7
198.11220	3.6
198.18492	4.7
208.05048	0.6
210.11943	0.7
216.12291	2.0
221.07079	0.7
226.18022	0.7
243.20633	1.6
251.08038	1.8
255.10190	1.3
255.15857	1.6
269.08896	1.7
270.04276	0.9
279.07587	1.7
283.09564	2.1
284.09961	0.6
296.26730	0.6
297.08670	3.5
297.25357	0.7
298.10657	1.4
299.11737	0.8
314.03815	1.4
314.13843	48.7
314.23404	1.9
314.27957	25.8
315.04929	5.6
315.09171	3.0
315.12363	1.7
315.14169	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	314.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94920	1.7
55.01855	5.0
55.05508	4.0
56.05004	2.4
57.03419	3.4
58.06578	3.6
59.04979	7.1
67.05492	4.8
69.03407	3.5
69.69189	3.8
69.69607	8.8
70.06571	24.9
71.04973	2.1
72.04469	2.2
72.08141	99.8
73.02884	5.8
73.64715	1.9
74.06069	2.4
77.06017	2.9
81.03397	4.0
81.07037	2.9
82.06516	1.9
84.04482	3.7
84.08125	13.0
85.02905	9.8
86.09685	18.4
87.04459	28.6
88.02213	4.7
88.03964	4.3
89.06016	46.5
91.05441	10.0
93.07043	3.8
95.01305	14.1
95.04933	6.9
96.08123	2.4
97.02872	8.2
98.06032	3.3
98.09660	3.0
98.21516	1.8
100.02219	2.2
100.07603	65.7
101.67713	2.1
103.03925	89.0
103.05429	6.3
103.07561	3.5
105.07009	6.8
105.26934	1.9
107.04946	6.6
107.07043	2.5
107.08598	2.4
109.02897	2.5
109.10134	3.6
110.07153	4.3
110.09673	2.6
112.07592	4.7
112.11253	2.8
115.05421	2.6
117.06982	6.5
119.04906	10.7
119.08588	2.2
120.08086	18.0
121.02839	6.8
121.06507	6.2
121.08498	2.1
123.04406	76.1
123.08092	1.9
124.07599	3.8
129.10185	2.4
130.06470	3.3
131.04904	13.9
131.07002	12.3
133.06505	11.6
133.08559	20.1
134.05997	2.1
135.08073	2.8
136.06142	5.8
136.07568	3.2
137.05943	4.4
138.05484	4.1
138.09137	4.2
140.07018	6.8
141.05435	2.5
145.06471	48.2
147.03209	3.9
147.04382	73.5
147.06480	7.3
147.07994	2.4
149.05959	14.1
153.01826	13.3
153.05469	3.4
157.06453	7.8
157.13380	2.7
159.04376	7.3
159.08011	6.0
161.05940	17.1
163.03822	3.8
163.07541	3.1
163.09651	4.5
165.05458	32.8
166.08592	3.1
167.03448	3.2
167.06985	4.6
169.06453	5.4
171.04367	10.5
171.08060	6.2
171.14929	10.8
173.05956	64.7
173.86052	2.1
174.06284	2.2
175.03885	13.6
175.07581	6.1
175.09668	4.9
177.05411	23.2
177.11209	10.9
185.04523	3.1
185.05986	13.0
187.07481	14.0
188.17694	3.3
189.05428	20.7
191.07024	14.1
191.09129	9.8
193.04974	2.4
193.08537	3.9
197.05933	21.8
197.19041	2.3
198.18474	15.4
199.07509	12.0
201.05424	22.8
204.86133	2.1
207.06395	2.9
208.07314	2.3
210.05803	2.3
211.06052	8.4
213.05489	2.2
215.06984	32.7
219.06488	100.0
220.06761	3.6
225.05763	2.2
226.18039	13.9
231.06470	8.5
233.08064	24.2
235.11635	3.2
237.07559	6.0
243.06480	25.0
243.20622	6.6
251.14973	3.3
261.07541	38.5
269.13065	3.1
269.15735	9.7
271.09674	3.4
279.08588	86.0
279.14380	8.6
280.09009	3.4
283.09521	2.4
296.11057	3.5
296.26962	3.2
297.11154	4.6
297.15396	32.3
297.25183	7.2
298.10605	5.8
314.10516	4.0
314.14075	11.3
314.27963	92.2
315.04926	3.4
315.15448	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	314.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22037	1.8
53.03920	1.8
55.01864	2.5
55.05492	4.2
56.05008	2.1
60.04508	2.4
61.02892	2.2
67.05487	3.7
68.70554	2.3
69.03402	4.4
69.08639	2.3
69.51489	13.6
70.06577	49.9
72.04506	2.5
72.08142	100.0
73.02862	2.0
73.08448	4.5
74.00650	2.4
74.06049	3.7
81.07058	3.3
84.04474	2.9
84.08144	14.7
85.02882	5.5
86.09680	14.1
87.04429	4.6
88.03967	4.1
89.06030	5.3
91.05459	5.5
93.06976	2.8
94.06484	2.1
94.31077	1.9
95.01311	19.6
95.04925	5.5
97.02879	4.2
98.09668	2.4
100.07594	56.9
101.07122	2.7
103.03935	13.7
103.04520	2.4
103.05450	3.5
105.03367	7.3
105.06980	4.8
107.04923	2.3
107.36654	1.9
109.10120	2.3
110.05991	2.5
110.07143	5.1
112.07573	3.6
117.07005	4.2
119.04918	8.5
119.08648	1.9
120.01131	11.4
120.08034	2.8
121.02855	3.2
121.06485	2.5
122.06022	2.0
123.04402	49.0
127.08610	3.6
128.06155	2.8
128.62727	1.8
129.06975	2.3
129.10193	3.8
131.04913	12.3
131.07060	2.8
133.06435	15.6
133.08569	5.6
136.06404	2.6
136.07553	23.6
137.05948	5.2
138.05557	2.4
140.07114	3.2
141.06934	3.2
145.03227	2.2
145.06468	44.6
147.04379	46.0
147.08031	3.4
149.05952	6.1
151.07492	2.6
152.05678	4.4
152.06923	3.0
153.01761	10.2
157.06471	6.5
159.04410	5.7
159.08005	5.4
161.05956	40.9
163.04065	3.3
163.07527	2.5
164.07048	19.9
165.05455	20.7
167.06996	2.2
169.06445	4.4
169.13344	8.2
171.04327	10.1
171.07950	3.5
171.13577	1.8
171.14835	10.6
173.05949	58.6
173.12860	2.9
175.03819	4.2
175.07581	2.2
177.05457	11.0
179.06960	2.5
181.06516	2.5
185.05934	12.1
187.07523	6.6
187.14384	3.4
189.05392	11.4
191.07024	6.5
193.08583	3.3
197.05998	25.4
197.12860	5.2
198.18451	13.5
199.07567	7.7
201.05415	16.7
207.06456	4.0
209.02538	2.0
215.07016	44.8
217.05000	2.8
219.06471	55.3
225.16791	3.1
231.06514	7.8
233.08009	23.7
243.06479	35.4
243.20583	5.6
261.07510	28.9
261.24957	2.1
278.10132	5.8
279.08533	32.6
297.15421	6.1
297.24509	2.3
298.10580	3.6
314.06818	2.3
314.13727	8.2
314.27957	73.5
314.67892	3.1
315.15424	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	314.105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.7
59.04997	4.1
59.45838	0.8
66.82055	0.8
70.02932	1.6
70.06571	5.0
71.41042	1.2
71.41372	1.5
72.08143	10.3
79.05479	5.2
81.07060	1.3
84.08110	2.8
86.09705	1.8
87.04436	1.0
88.03973	7.9
89.06017	33.6
91.05459	2.6
99.82796	0.8
100.07614	8.3
103.05452	5.0
105.07013	49.9
106.07333	1.2
107.07018	0.8
109.01069	1.3
110.07232	0.8
115.05418	7.0
118.04108	2.6
121.01062	8.8
131.04880	1.6
133.06470	47.0
133.08572	13.7
134.06818	2.0
137.00484	1.1
143.04965	1.6
143.06021	4.8
147.04356	0.8
149.00539	25.8
150.72337	0.8
151.09608	2.3
152.07066	2.7
153.01816	3.0
161.05951	100.0
162.06288	3.5
165.00064	5.3
166.00856	1.8
166.05109	0.9
171.14897	2.0
177.11183	3.6
190.17490	1.3
192.99530	14.6
193.08569	74.2
194.00282	16.9
194.08928	3.6
198.18507	1.9
201.12340	1.6
208.04210	1.0
209.02640	53.7
210.03000	2.2
225.02045	4.3
239.14838	17.3
270.04257	0.9
297.19055	14.3
309.36252	1.0
313.91513	0.8
314.06787	2.4
314.27948	11.2
315.04663	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	313.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	10.8
57.03425	16.0
57.07063	52.2
58.07389	1.2
67.05494	16.1
69.07055	12.7
69.62513	5.7
71.04973	2.5
71.08228	1.6
71.08617	30.0
72.08142	1.4
72.08952	0.8
79.05473	3.1
81.07040	29.8
81.07519	1.7
83.04979	1.1
83.08598	11.8
85.06532	7.9
85.10162	18.2
89.05996	2.9
91.05466	7.5
93.07023	14.2
95.04968	1.2
95.08582	28.6
97.06503	1.5
97.10157	5.3
98.20823	1.3
99.08067	1.3
99.11695	1.1
100.07561	1.1
103.07565	1.5
105.07008	11.9
107.08572	11.8
109.06506	1.8
109.10137	14.9
111.08073	2.4
111.11720	1.7
117.06985	1.8
119.08557	11.0
121.10130	9.1
123.11684	5.2
123.12440	1.0
129.06969	1.4
131.08530	4.5
133.10106	5.8
135.11650	5.2
136.06151	1.0
137.09607	1.1
137.13232	1.8
142.07747	1.0
143.08545	3.2
145.10089	10.1
147.11639	6.1
149.13214	3.9
155.08556	1.0
156.09258	1.7
157.10124	5.9
159.11684	10.8
161.13243	4.7
163.14757	2.1
169.10094	1.6
171.11687	3.4
172.65642	1.0
173.13182	6.8
175.14806	1.9
183.11674	2.6
185.13223	3.6
187.14803	3.4
189.12697	1.0
189.16318	1.4
197.13249	2.5
199.14830	6.3
201.16347	4.5
203.14230	1.0
203.17899	1.3
211.14813	3.1
213.16312	4.9
215.17894	7.9
217.15884	1.1
225.16345	2.0
227.18005	1.9
231.17357	1.3
239.17947	2.9
239.23602	4.8
243.17583	1.0
253.19466	2.3
255.21115	2.8
257.19028	1.0
257.24707	4.0
269.22559	3.2
274.92075	0.9
295.24191	18.2
298.10687	2.9
299.11435	1.7
313.27673	100.0
313.36386	6.4
314.13797	5.0
314.28140	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	313.273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00270	0.4
53.19353	0.4
55.05267	0.5
55.05503	6.3
57.03430	16.7
57.07066	46.0
58.07372	0.3
64.57031	0.3
65.03924	0.5
67.05496	7.0
69.07056	7.4
70.78519	0.8
70.78888	0.8
71.04967	0.4
71.08620	28.2
72.08941	0.5
75.04463	0.7
77.03641	0.3
79.05462	0.7
81.07042	11.5
83.04946	0.5
83.08603	9.0
85.06512	0.8
85.10169	17.7
89.06016	2.6
91.05427	0.7
93.07034	1.0
95.08591	16.4
97.06516	0.6
97.10153	4.6
98.21378	0.5
99.11719	1.1
101.06002	0.4
103.07552	1.7
105.07036	0.6
107.08585	0.6
109.10137	7.5
111.11693	0.9
117.09101	1.0
121.10143	0.8
123.11676	2.9
125.13254	0.6
137.13228	1.4
151.14847	0.4
175.04019	0.3
221.22676	0.4
239.23589	3.4
257.24747	4.0
298.27573	0.7
313.27304	100.0
314.13699	1.3
314.27646	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	313.273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.4
54.47231	0.3
54.55825	0.3
55.05502	5.5
57.03429	15.5
57.07066	46.1
59.04954	0.3
67.05496	8.4
69.07056	7.8
70.78191	0.9
71.04993	0.5
71.08620	29.2
75.04449	0.8
79.05480	0.8
81.07043	11.9
83.08604	8.9
85.06524	0.8
85.10170	15.3
89.05997	2.2
92.93793	0.5
93.07023	1.1
95.08592	15.1
97.10160	3.7
99.11725	1.4
103.07548	1.3
109.10138	7.1
111.08057	0.5
111.11701	1.0
117.09097	0.9
123.11695	3.0
125.09599	0.5
135.11713	0.5
137.13243	1.6
149.13179	0.4
151.14859	0.5
165.16327	0.7
200.44757	0.4
221.22614	0.5
239.23682	4.2
257.24731	4.2
275.25760	0.5
313.27313	100.0
314.14081	0.5
314.27664	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	313.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26133	1.0
53.03929	3.0
55.05501	10.6
56.52978	0.9
57.03430	8.3
57.32847	1.0
59.04966	1.8
60.19754	1.0
64.33503	1.1
67.05479	3.2
69.03418	55.7
69.50605	7.4
69.51009	2.5
71.01341	15.3
71.04978	5.7
75.04446	9.6
76.93901	1.0
79.05479	10.1
81.07040	8.1
83.04967	31.5
85.02889	47.3
85.06571	0.9
87.04433	2.4
91.05463	14.1
93.07027	100.0
95.04953	6.3
95.08584	5.9
97.02897	1.0
97.06513	1.4
99.04433	2.3
104.19598	0.9
105.07024	7.6
107.08566	4.3
109.06532	1.8
111.04413	15.8
111.08070	8.2
113.05981	1.7
117.07070	1.1
119.08578	5.8
121.06465	2.3
121.10120	73.1
122.10509	1.3
123.08072	2.3
123.11666	1.7
125.05887	1.2
129.05463	19.4
131.08530	5.9
135.08057	2.4
137.05989	1.5
139.11157	6.9
147.08008	1.2
149.09598	17.6
156.93810	1.0
161.09558	1.4
163.07571	1.6
167.06914	1.2
167.10646	13.0
203.10516	1.1
209.70804	1.3
259.13205	1.1
295.15317	12.8
296.15564	1.3
313.16330	14.9
337.87109	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.9
53.93084	0.4
55.01864	1.3
55.05496	4.0
55.56382	0.5
57.03410	2.2
58.06596	3.6
58.99573	0.5
59.92663	0.5
60.90804	0.5
65.03928	1.0
67.05502	4.4
69.03381	1.1
69.07053	2.5
70.06565	1.3
71.01015	1.1
71.04968	1.1
72.08147	11.1
73.06542	1.3
79.05009	0.7
79.05477	14.3
80.04977	0.5
81.07043	24.0
83.04948	1.3
83.08604	3.7
84.08129	5.2
85.06505	1.2
91.05473	6.8
93.07028	12.4
94.06548	1.9
95.04933	1.4
95.08584	3.2
97.06509	1.0
98.06033	1.7
100.07588	2.0
102.09138	1.2
105.07027	4.0
107.04940	5.6
107.08572	15.8
108.17764	0.5
109.06490	0.7
109.10090	0.6
112.07578	0.8
112.11223	2.5
113.07101	0.9
118.59148	0.4
119.04910	0.9
119.08577	0.8
121.06492	0.8
121.10123	9.8
122.06017	3.7
123.11657	1.0
125.09631	0.6
126.09137	0.7
129.06963	1.3
129.13916	0.8
130.12250	12.6
131.08562	5.6
133.10144	0.5
134.42471	0.5
137.05948	4.3
139.11157	2.9
140.07047	5.4
145.06392	0.5
146.05948	1.1
147.08017	0.6
147.14900	11.8
148.11110	0.6
149.09604	9.5
150.09048	0.7
151.03894	1.7
151.07495	4.1
151.09958	1.4
157.06444	1.2
163.07440	0.6
164.10771	0.5
165.05458	0.8
166.04941	0.7
167.10646	0.9
173.12874	0.6
174.05463	3.0
178.12259	1.1
189.09071	1.9
190.04967	0.7
191.05612	0.9
196.13283	1.6
206.13612	0.5
206.15298	3.0
224.16415	51.4
225.16756	3.1
226.10872	1.3
238.17815	0.5
253.11888	0.6
267.11212	0.6
270.04294	1.2
278.21277	0.9
278.40359	0.6
285.12418	0.7
295.10803	0.5
295.23618	1.6
296.22144	46.2
297.22562	2.8
306.81769	0.5
313.11160	1.6
313.14261	3.2
313.24777	100.0
314.24982	6.2
314.27728	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.4
55.01839	1.4
55.05495	7.7
56.04254	1.5
56.86017	1.4
57.07058	3.3
67.05499	15.0
69.07055	7.9
70.06555	1.6
71.04964	2.2
72.08116	4.9
74.70720	1.5
79.05481	12.7
81.06584	2.8
81.07040	46.6
81.07514	3.2
83.04942	2.3
83.08591	5.4
85.06526	19.6
91.05462	13.4
93.07021	35.7
95.04945	3.1
95.08586	34.6
97.06493	2.7
97.10137	4.1
99.08067	2.9
100.07577	4.6
102.09149	1.4
105.07006	30.0
106.07424	1.4
107.08566	27.8
109.09571	1.5
109.10146	17.1
111.08031	6.0
117.06996	4.1
119.08565	30.1
119.09387	1.0
121.10113	19.1
123.11710	7.8
126.30997	1.3
129.06956	3.4
131.08525	14.7
133.10130	15.5
135.11682	7.4
137.09573	1.8
137.13181	1.4
142.07732	1.9
143.08539	8.0
144.09210	2.0
145.10104	24.7
146.10429	1.6
147.10614	2.0
147.11678	17.2
149.13194	6.8
151.11176	1.7
155.08522	2.9
156.09247	1.6
157.10129	10.8
159.11662	26.3
161.13223	10.6
163.14784	4.5
165.44229	1.6
169.10071	5.3
171.11684	10.9
173.13234	16.7
175.14749	4.0
177.16479	2.0
177.44481	1.3
183.11623	3.4
185.13168	8.3
187.14790	9.8
189.16321	3.8
195.11659	1.3
195.18219	1.5
197.13197	4.5
198.18651	1.3
199.14783	13.3
200.15144	1.5
201.16341	16.2
203.14232	1.4
203.17906	6.5
211.14769	4.3
213.16321	15.8
215.17889	17.7
217.15813	2.1
225.16327	5.6
227.17871	4.8
231.17349	2.0
239.17970	8.2
253.19576	2.6
253.57741	1.4
255.21021	5.9
257.18896	1.4
267.21182	3.0
269.22479	4.9
285.22125	1.5
295.24121	47.3
296.24408	4.1
298.10590	2.1
313.25146	100.0
313.32761	8.6
314.13806	6.7
314.24884	7.4
314.28308	4.0
314.34067	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	312.9718
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21443	4.0
60.72924	4.9
69.86552	23.4
75.53581	3.8
82.29841	4.4
88.02520	4.2
94.92993	68.1
97.23405	4.3
97.81310	4.1
101.46605	3.9
112.89586	12.4
114.89352	22.2
116.89119	6.9
117.02939	5.4
124.91632	4.3
136.93997	100.0
150.95595	26.1
166.95064	12.7
174.89584	5.5
176.89424	12.5
180.92957	10.1
192.96667	13.0
204.05408	4.7
208.96063	11.2
212.85068	8.6
214.85056	78.2
226.97141	41.6
250.97142	9.5
268.98227	65.5
313.05200	5.0
313.08838	8.3
333.13940	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	313.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67079	0.3
52.20278	0.3
53.03928	0.6
55.01847	0.8
55.05498	1.0
57.07042	0.8
65.03925	1.9
67.05492	2.2
69.03415	1.1
69.07054	0.7
71.08591	0.5
71.52363	0.5
71.52711	0.5
72.08136	1.0
73.99767	0.4
75.04461	0.5
79.05492	2.0
81.03397	0.5
81.07032	1.7
82.60963	0.4
83.04963	1.1
83.08581	0.8
85.02869	0.9
85.10189	0.4
91.05462	15.4
93.06480	0.7
93.07027	10.7
94.07356	0.5
95.04977	2.3
95.08585	1.5
97.10188	0.4
100.07584	0.5
103.03960	0.4
103.05443	1.8
105.07004	2.9
105.99532	0.4
106.04150	0.4
106.51211	0.4
107.08561	1.2
109.06494	8.8
109.10110	0.6
111.04414	0.6
117.06992	0.5
119.06049	2.6
119.08568	0.8
121.06480	1.3
121.09355	0.4
121.10121	2.7
123.08091	2.1
129.06995	0.9
131.04974	0.4
131.08560	0.7
133.06476	11.9
133.07475	0.5
133.10068	0.6
137.09645	0.6
139.07509	1.5
143.08537	0.6
145.10078	0.7
149.05956	100.0
150.06311	2.4
157.10091	0.6
159.11797	0.4
167.08319	0.4
167.10667	0.6
171.11652	0.5
183.11736	0.5
187.11127	0.4
205.44646	0.4
235.13150	0.5
239.11885	0.4
249.41757	0.4
298.10568	1.0
313.16861	0.5
313.17963	0.6
313.21545	2.9
313.27036	1.1
314.13928	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	312.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
55.01866	1.4
55.05501	2.4
57.03424	2.0
58.06337	0.6
58.06591	3.5
58.20533	0.6
59.95780	0.6
67.05487	3.5
69.03407	1.9
69.07063	2.1
70.06579	2.3
70.65517	2.3
71.04988	1.8
72.08142	94.1
73.08460	0.8
75.09246	1.0
79.05478	17.0
81.07041	20.9
81.84281	0.6
83.04985	1.9
83.08613	3.5
83.71602	0.6
83.82289	0.6
84.04457	1.2
84.08131	4.7
85.02907	1.3
85.06551	1.0
86.06040	0.7
86.09682	1.5
88.03948	0.8
91.05459	3.8
91.08411	0.6
93.07034	9.8
94.06575	1.0
95.04958	1.2
95.08604	3.0
97.02873	0.8
98.06036	2.2
100.07600	3.0
105.07030	3.5
107.04922	5.9
107.08566	17.7
110.06050	1.8
110.07124	1.0
111.04382	0.7
112.07579	1.7
112.11221	8.1
116.07242	0.7
118.06523	0.7
119.08556	1.0
120.08075	1.1
121.10122	10.0
122.06009	1.1
123.11662	0.9
124.07562	0.9
129.13826	3.2
131.08524	6.8
134.04459	1.0
135.09021	0.7
136.07568	2.3
137.05946	2.0
139.11145	3.6
141.07312	0.9
146.16476	2.9
149.09601	9.4
150.09059	0.9
151.09775	0.9
152.10677	0.7
154.12125	0.8
162.05441	0.7
162.09145	1.0
163.09474	2.2
164.10686	1.1
166.12279	1.5
167.10649	1.1
178.12196	2.3
179.06891	0.9
180.10129	1.1
181.10480	2.3
182.77567	0.7
196.13319	1.0
206.15341	11.9
208.09604	4.5
209.09995	10.1
210.05840	3.0
210.10222	0.9
223.04218	2.0
223.18027	2.3
224.16411	100.0
225.16753	3.3
235.05951	1.2
238.17967	1.3
241.16794	0.5
241.19070	13.3
277.22684	2.8
294.15387	9.4
294.25378	3.5
295.23749	57.2
296.24072	2.7
312.16272	2.4
312.26382	96.1
313.26767	4.6
327.20062	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.7
55.01867	1.2
55.05498	2.6
55.99524	0.6
56.05028	0.6
56.45380	0.5
56.92120	0.5
57.03426	1.8
58.06585	3.1
59.04986	0.5
64.42847	0.5
66.53970	0.5
67.05492	3.1
69.03410	1.5
69.07060	2.1
70.06582	4.5
70.66376	1.7
71.04980	2.2
72.04557	0.6
72.08141	94.9
73.02920	0.9
73.08474	1.1
74.02441	0.6
74.09707	0.6
75.09235	2.5
79.05476	13.4
79.05898	1.1
79.20876	0.5
80.05044	0.6
81.03405	0.9
81.07040	21.4
81.07517	1.2
82.06599	0.9
83.04977	1.5
83.08597	4.5
84.04499	2.0
84.08131	8.1
85.02914	1.6
85.06540	1.5
86.06077	1.0
86.09698	2.0
88.03996	1.3
91.05459	4.2
93.07024	12.4
94.06554	1.1
95.04957	0.8
95.08569	3.5
96.04467	0.9
97.02860	0.7
97.06512	0.7
98.06028	2.0
99.08049	0.6
100.07608	2.8
105.07012	4.2
107.04926	4.6
107.08575	12.2
108.08065	0.7
109.06477	0.6
109.10166	0.7
110.06026	7.4
110.07142	1.9
110.09632	0.5
111.06357	4.3
112.07595	1.5
112.11215	11.1
114.10269	1.1
115.07533	0.8
119.08580	2.5
120.08102	0.8
121.06480	0.7
121.10123	9.8
122.05998	1.6
123.11710	1.5
124.03941	2.4
125.09580	0.6
126.09137	0.7
129.10231	1.1
129.13852	6.6
131.08536	6.3
132.01958	0.5
132.04440	0.8
134.04439	0.8
136.07564	2.3
137.05975	4.1
138.09135	1.1
139.11160	2.5
140.07054	2.7
141.07370	1.3
146.16499	4.8
147.04366	1.3
147.08051	0.8
149.09605	9.9
150.05440	0.7
150.09128	1.0
150.12779	0.8
151.07553	0.7
151.09895	1.9
154.08598	0.7
155.08940	0.7
155.11734	2.0
157.07626	0.7
162.05487	0.9
162.09056	1.1
163.09572	1.3
164.07059	0.9
164.10713	1.3
167.07089	0.7
167.10619	0.7
174.26454	0.6
178.12233	2.1
179.07043	1.1
180.06447	0.7
180.10194	0.7
180.13818	0.7
181.04929	0.7
196.13290	1.9
196.16966	0.7
206.15401	8.4
208.09654	1.2
209.09988	3.1
210.05736	0.9
223.04150	3.1
223.15709	0.8
223.17992	3.1
224.16409	89.0
225.16789	2.7
226.17854	0.9
238.18053	1.1
241.19058	14.2
276.14090	0.8
277.22729	0.9
294.09811	0.6
294.15173	4.4
294.25406	2.2
295.23743	53.1
296.24170	1.9
312.10678	1.6
312.16528	3.3
312.26382	100.0
313.11261	0.8
313.26746	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	312.107
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13299	0.2
51.02407	0.2
56.05015	0.4
57.03403	0.3
67.05471	0.3
69.03406	0.4
69.07041	0.5
69.49246	1.8
70.02936	1.4
70.06574	1.5
70.78139	0.2
72.08142	2.4
73.02913	0.2
73.75105	0.2
74.02426	9.0
77.03937	0.2
79.05466	0.6
81.03392	0.3
81.07029	0.7
82.50240	0.2
83.52618	0.2
84.04478	0.4
84.08120	0.9
85.02910	0.2
86.09675	0.8
88.02180	0.3
88.03973	16.9
91.05450	1.0
93.07037	0.5
94.04149	0.5
95.04957	0.2
100.07605	0.4
105.07059	0.2
107.04923	0.3
107.08573	0.5
112.11201	0.3
113.07112	0.4
114.09132	0.9
116.03433	6.2
119.04939	0.8
120.08075	0.4
121.10103	0.3
122.03617	1.8
122.06012	0.6
130.00813	0.2
131.04900	0.3
131.08553	0.2
134.04463	29.4
136.05263	0.2
137.05951	100.0
138.06299	1.6
140.07030	0.6
142.08624	1.1
145.02893	0.3
147.04378	0.3
149.09612	0.4
151.03864	0.4
151.07510	0.9
164.04640	0.6
167.07002	0.3
177.05527	0.3
179.07001	27.5
180.07243	0.3
189.27783	0.2
223.04250	0.5
224.16406	2.0
248.09154	1.2
266.10178	0.7
294.09756	0.8
295.23785	0.7
312.10880	1.1
312.18362	1.0
312.23315	0.4
312.26453	2.5
313.11029	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.6
55.05497	0.6
55.99251	0.3
56.05009	1.3
58.99566	0.5
59.04993	1.5
61.01135	0.6
66.97794	0.3
67.05499	0.6
67.05849	0.3
68.05006	0.8
69.03422	0.4
69.07061	3.4
70.02956	1.5
70.06583	14.9
71.04988	0.4
71.06914	0.7
72.08143	7.0
73.02905	0.6
73.88411	0.3
74.02431	8.8
74.02849	0.6
74.06063	0.4
76.02232	0.4
79.05486	1.6
81.03371	0.4
81.07036	1.9
83.04961	0.4
83.08567	0.3
84.04490	3.7
84.08130	2.9
85.02888	0.6
86.00613	0.5
86.06037	0.9
86.09691	11.6
87.04459	0.6
87.10044	0.7
88.02220	0.6
88.03976	20.5
89.06045	0.5
91.05476	1.9
93.07036	1.2
94.04189	0.6
94.06518	0.5
95.04941	0.8
95.08583	0.4
96.04461	0.4
97.02844	0.3
97.06504	0.5
98.09676	0.7
100.07603	1.2
101.06001	0.4
102.05559	0.3
103.05445	0.6
105.07018	0.7
107.04937	1.6
107.08570	1.0
109.02846	0.3
109.06528	0.3
110.06056	0.4
110.07168	0.4
112.11238	1.3
113.07117	3.3
114.09151	2.2
115.08656	0.4
116.03441	7.2
117.05506	0.8
119.04903	0.6
120.08108	2.6
121.10118	0.8
122.02702	1.5
122.03619	2.3
122.05966	0.8
124.07571	1.3
125.07932	0.7
129.10249	0.6
129.13789	0.3
130.04974	1.7
131.04904	0.6
131.08534	0.5
132.01181	0.6
134.04469	29.6
134.10437	0.4
135.04390	0.6
136.07567	0.6
137.05956	100.0
138.06332	1.5
140.07047	1.2
142.03160	0.3
142.08626	2.6
147.04372	0.5
149.09610	0.7
151.03853	0.9
151.07506	1.4
158.02640	0.4
161.06053	0.6
161.07413	0.7
163.03879	1.4
164.04657	0.5
167.07021	0.4
168.06467	0.4
173.13109	0.4
174.05481	0.4
177.05481	0.8
179.07011	26.2
180.07373	0.3
183.14844	0.4
188.03723	0.3
191.07039	0.6
198.11220	0.9
213.15915	0.9
216.12195	0.8
223.04181	0.8
223.07481	1.0
224.16389	3.7
225.05629	0.5
229.15405	2.5
238.09108	0.3
241.19025	0.7
248.09116	1.3
249.07779	0.4
250.08578	0.9
251.06932	0.9
252.10416	0.3
266.10101	1.1
276.20505	0.3
280.10138	0.6
294.09595	0.8
294.22382	0.6
295.20889	0.5
295.23822	2.1
301.06613	0.4
312.10535	1.2
312.18433	3.1
312.23499	0.5
312.26410	8.0
313.10699	3.1
315.13165	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.3
56.05030	0.5
56.96564	0.8
57.03424	0.6
57.23447	0.2
60.04507	0.5
61.01137	0.2
61.02921	0.7
63.48845	0.2
67.05501	0.2
69.03417	1.7
69.07057	0.9
70.06582	1.8
71.04985	1.2
71.46337	0.3
72.08143	4.8
73.02916	0.8
81.03406	0.6
81.07071	0.3
82.06583	0.3
84.04494	0.7
84.08124	1.9
85.02888	4.5
86.06064	0.5
86.09691	4.1
87.04456	0.3
87.10048	0.2
88.02190	1.0
88.04010	0.2
91.03946	0.2
91.05463	0.3
97.02890	1.5
98.97565	0.8
100.07600	3.3
100.92962	0.2
104.05274	0.2
107.04937	0.2
108.05578	0.5
109.02857	0.5
109.05113	0.4
110.07152	1.1
110.09642	0.3
115.03933	0.3
116.07063	0.3
116.98620	0.5
119.01920	0.4
119.04915	0.4
123.04387	0.3
127.03893	1.0
129.10190	0.4
130.08554	0.3
131.01883	0.3
132.10181	0.5
133.05017	7.4
133.07568	0.2
134.07927	0.4
136.06161	0.3
136.07552	0.6
137.05925	0.2
138.05464	0.3
145.04948	1.5
145.05934	0.2
147.04419	0.8
148.03960	0.2
150.07721	100.0
151.08136	1.6
156.13873	0.4
163.06007	0.5
166.04947	0.4
167.07011	0.5
171.14886	0.8
174.98994	0.2
177.00563	0.3
177.05304	0.3
177.06602	0.4
178.06934	0.8
180.08687	0.2
196.16982	0.5
197.04816	0.7
215.05849	0.3
221.08571	0.3
223.04193	1.7
223.07533	0.4
224.16338	0.3
237.02815	0.2
243.05347	0.4
243.08427	0.2
261.06342	0.3
267.00241	0.4
294.14243	0.2
294.25375	1.5
312.12885	22.4
312.26404	3.6
313.13202	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71018	0.5
53.03941	0.8
55.01847	1.0
55.05503	39.7
56.05810	0.5
57.03430	17.6
57.06781	0.8
57.07068	19.5
67.05492	6.2
69.07058	43.8
70.99706	1.5
71.04965	0.8
71.08624	10.6
73.02887	0.8
79.05492	3.9
81.07042	8.6
83.04952	1.1
83.08606	37.2
84.08961	0.7
85.06503	0.6
85.10172	4.5
91.05437	0.7
91.68906	0.4
93.07041	5.8
95.08589	6.0
96.38395	0.4
97.06522	4.2
97.10158	26.8
97.44433	0.4
99.08095	0.6
107.08572	3.9
109.10161	2.6
111.08069	2.0
111.11696	8.2
121.10130	5.3
123.11655	1.2
125.09611	1.8
125.13255	1.9
135.11674	4.0
136.18710	0.5
137.13246	1.0
139.11183	1.0
144.54634	0.5
149.13240	1.7
153.12709	0.9
163.14772	0.7
209.11688	1.7
219.21075	1.5
232.00185	0.5
237.11203	1.1
237.22163	1.0
311.25757	100.0
312.26086	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	311.2574
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03924	0.8
55.01855	1.1
55.05504	38.7
56.05826	0.7
57.03159	0.6
57.03431	14.6
57.07069	18.5
66.57263	0.3
67.05178	0.5
67.05496	6.8
69.07059	43.0
70.07384	1.2
71.08621	9.9
71.17778	0.8
73.02913	0.6
73.06537	1.1
78.44296	0.4
79.05486	3.1
79.80904	0.3
81.06580	0.5
81.07046	7.2
81.65916	0.4
83.04957	0.6
83.08608	35.3
84.08936	0.9
85.06498	0.4
85.10169	4.3
91.05456	0.5
93.07031	4.2
95.08591	5.7
97.06531	3.3
97.10153	26.3
98.10487	0.9
99.08057	0.5
101.06010	0.5
104.38175	0.4
107.08579	3.5
109.10134	2.3
111.08124	2.0
111.11710	8.2
121.10139	3.9
123.11687	0.6
125.09595	1.8
125.13258	1.7
135.11676	3.2
137.13252	0.6
139.11142	1.1
149.13226	1.8
163.14812	0.9
167.14365	0.4
167.27948	0.4
174.35896	0.4
177.16307	0.4
209.11742	0.8
219.21053	1.4
237.22076	1.0
302.97385	0.5
311.25754	100.0
312.26123	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	311.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
55.01860	1.0
55.05503	40.2
57.03157	0.9
57.03431	17.3
57.06795	1.0
57.07067	18.7
67.05494	6.9
69.07059	42.9
69.89954	2.2
70.07393	0.5
71.08622	10.7
73.02916	0.6
74.87498	0.5
75.04484	0.4
79.05479	3.6
81.07041	7.8
83.04963	1.2
83.08607	37.4
84.08936	1.0
85.06551	0.7
85.10177	4.2
91.05462	0.7
93.07035	5.3
95.08596	6.4
96.40228	0.4
97.06532	3.6
97.10155	26.3
98.10461	0.5
107.08581	4.3
109.10141	2.1
111.04384	0.7
111.08051	1.9
111.11694	6.9
112.12067	0.5
121.10125	5.6
123.11695	1.3
125.09615	1.6
125.13235	2.2
135.11681	3.8
137.13268	1.0
139.11125	1.2
149.13226	2.3
153.12738	1.3
153.16368	0.5
161.09583	0.5
163.14812	1.1
181.15733	0.7
183.68095	0.4
209.11699	2.9
216.40462	0.4
219.21111	1.6
237.11165	2.4
237.22136	1.2
255.12190	0.8
259.67044	0.4
311.25757	100.0
312.26108	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	311.2209
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
51.64742	2.6
53.03922	5.0
53.75199	3.3
55.01859	8.4
55.05503	17.6
57.03425	6.9
57.07072	31.8
67.05162	5.3
67.05492	50.1
69.03418	3.2
69.07059	20.5
71.04989	6.0
71.53040	2.6
71.53442	4.6
72.08114	3.2
77.04791	2.5
77.16521	3.2
79.05470	21.8
81.03403	8.4
81.07044	39.0
83.04965	12.3
83.08604	8.4
84.08137	3.0
85.02898	5.0
85.06517	4.3
85.10149	5.9
91.05473	18.3
93.07024	30.6
95.04945	10.3
95.08591	100.0
97.06521	11.1
97.10148	7.0
105.07008	15.4
107.04932	5.4
107.08564	16.7
109.06499	3.1
109.10155	18.4
111.04422	17.6
111.08079	5.3
111.94630	3.1
113.09637	4.6
117.06986	4.3
118.74951	2.6
119.08600	14.1
121.10081	16.5
123.08035	4.6
123.11697	7.6
125.05972	6.0
125.09617	8.7
131.08533	7.5
133.10104	7.7
135.04393	7.2
135.08078	4.5
135.11685	11.3
137.09612	6.7
141.09071	7.0
145.10118	8.6
149.09605	6.1
149.13290	4.8
150.49446	3.4
151.11179	4.8
153.05450	17.6
153.12769	3.4
159.10168	44.3
159.11571	4.8
163.11243	5.0
164.45287	3.0
165.12718	4.5
173.13263	4.1
175.40324	2.7
181.04858	4.3
181.12210	7.5
191.10670	7.4
195.13745	3.6
201.16397	8.4
209.11699	89.8
219.17578	3.3
237.11185	73.9
237.13484	5.5
238.11589	3.2
238.93643	2.6
247.20554	3.7
255.12227	20.9
265.21609	84.6
266.21896	5.4
272.09436	2.8
275.20078	7.1
293.17596	5.9
293.21075	10.5
293.24240	3.1
311.18576	10.2
311.22076	12.2
311.25430	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2209
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03923	7.2
55.01857	7.7
55.05499	24.5
57.03412	6.3
57.07056	3.3
59.04994	2.5
65.03911	1.8
67.05492	38.8
69.03080	1.7
69.03416	19.7
69.07054	19.6
70.06541	2.2
70.58654	2.7
71.01320	2.9
71.04969	6.9
72.08124	4.1
73.02885	5.4
79.05004	1.8
79.05476	39.2
81.03380	6.5
81.07037	58.9
81.07520	3.0
83.04498	1.6
83.04963	22.9
83.08596	9.3
84.04465	2.6
85.02882	23.3
85.06522	3.9
91.05461	64.4
93.07022	75.8
94.07365	2.4
95.04947	13.2
95.08586	40.0
97.02869	6.6
97.06503	9.1
97.10133	6.7
99.04395	3.0
99.08020	2.7
103.05421	3.4
105.07000	40.3
107.04941	8.9
107.08572	29.5
109.02837	3.6
109.06487	8.8
109.10133	21.4
109.29665	1.6
111.04401	8.7
111.08038	5.5
115.05437	1.7
117.07003	18.6
119.08554	88.1
120.08881	4.0
121.06466	6.3
121.10124	42.6
123.08077	10.5
123.11700	7.2
125.05943	1.6
125.09585	5.0
128.06221	2.4
129.05435	6.5
129.06972	6.3
131.08521	18.6
133.10106	32.7
135.08015	8.5
135.11662	10.0
137.05891	2.7
137.09564	9.1
139.11154	3.4
141.06894	2.1
143.08524	2.2
145.06433	2.1
145.10103	15.3
147.08022	24.1
147.11623	13.2
149.09584	16.1
149.13211	6.6
151.11179	3.3
153.12695	1.6
155.08498	2.0
157.10078	6.8
159.11662	11.8
161.09575	3.5
161.13232	4.8
162.07613	8.9
162.08778	1.5
163.07524	1.8
163.11066	8.1
165.09125	8.5
165.12675	2.2
167.10623	4.1
169.10014	3.3
171.11650	4.8
172.12131	1.5
173.11797	2.1
173.13261	5.1
175.11115	1.8
177.12654	3.2
183.11659	3.3
189.11148	3.6
191.14267	2.0
195.13763	4.9
197.13193	3.8
219.17230	2.7
224.16316	1.7
229.19469	3.9
231.17456	2.1
235.16827	5.8
237.18515	2.3
239.17891	7.1
247.20520	4.3
249.18535	2.5
257.19025	11.0
265.21469	2.5
274.11551	1.6
275.20004	100.0
276.20358	3.4
278.05118	1.4
293.13852	3.0
293.21005	16.6
311.14801	5.7
311.22458	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	311.221
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.03932	0.8
55.01851	3.1
55.05271	1.0
55.05502	13.2
57.03424	2.3
57.07065	11.4
63.55582	0.7
67.05495	9.8
69.07048	7.3
69.83934	4.6
71.04955	0.9
71.08617	10.9
79.05473	6.0
80.05820	0.8
81.03400	0.8
81.07040	10.7
83.04964	4.7
83.08603	6.6
85.06523	1.4
91.05448	4.4
93.03321	0.8
93.07030	7.2
95.04925	2.8
95.08583	8.1
97.06514	2.6
97.10162	6.3
99.08070	5.1
105.07026	5.4
107.04915	3.3
107.08590	5.2
109.02890	1.8
109.06477	1.4
109.10131	2.2
111.04431	5.7
111.08041	1.6
119.08532	3.5
121.06533	3.8
121.10107	3.2
123.11736	1.1
125.05981	1.8
125.09598	2.4
131.08548	1.9
133.10081	2.6
135.04369	1.7
135.11668	2.9
137.09543	0.8
139.11115	1.0
141.09146	0.7
143.08492	1.4
145.10127	1.7
147.11676	1.4
149.09584	1.0
149.13246	1.2
151.11162	1.0
153.05446	7.5
153.09076	1.0
159.11600	2.3
163.11128	2.3
165.12692	3.1
177.12791	1.3
181.04919	2.9
181.12216	3.0
189.11198	1.6
191.10564	4.8
199.14732	0.9
209.11684	36.3
210.12135	2.0
211.43280	0.8
237.11186	30.1
238.11398	1.7
255.12259	7.7
265.21671	1.6
275.20029	6.4
293.17743	3.3
293.21045	100.0
294.21298	4.9
311.18469	3.6
311.26035	11.3
311.31232	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	311.221
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
55.01863	19.5
55.05505	23.3
56.85702	3.1
57.03421	8.7
57.07070	21.0
65.45959	3.2
67.05491	56.5
69.03396	4.6
69.07059	40.4
70.04070	24.2
70.77791	8.2
71.04354	3.2
71.04971	3.8
79.05477	39.2
81.03412	4.5
81.07041	100.0
83.04971	9.6
83.08605	12.6
85.06529	4.0
91.05472	26.8
93.07021	42.4
95.04947	18.9
95.08585	48.9
97.06487	23.9
97.10149	4.4
98.06858	3.3
99.08071	4.9
102.29915	4.3
105.07015	30.5
107.04932	13.3
107.08589	19.7
109.06508	20.6
109.10132	15.0
111.04427	6.3
111.08070	4.1
117.06999	9.2
119.08563	25.0
121.06485	5.2
121.10110	20.1
123.08009	13.7
123.11686	10.1
125.09579	7.4
129.07030	4.7
131.08557	15.9
133.10107	22.4
135.08025	8.2
135.11670	8.5
137.09641	7.4
137.13310	4.2
138.58699	3.0
145.10107	14.9
147.08029	3.7
147.11664	22.1
149.09599	13.3
149.13219	10.6
151.11188	6.5
153.05463	10.3
153.12697	3.4
157.10117	7.0
159.11662	14.0
161.09517	4.4
161.13313	5.7
163.11183	16.1
165.12721	7.5
170.06717	4.0
173.09573	3.7
173.13283	4.7
177.12714	7.7
181.04921	4.6
181.12262	5.5
191.10696	6.8
191.14186	3.7
193.12100	4.9
195.11949	3.8
199.05923	3.6
209.11714	43.1
229.19617	5.7
237.11206	29.6
239.17889	7.5
247.20590	6.4
255.12247	9.5
257.18860	9.0
275.20029	74.9
293.21103	49.6
311.15213	18.0
311.18536	6.8
331.49106	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.221
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
50.25811	1.5
53.03921	1.7
55.01867	7.8
55.05500	9.3
57.03449	1.8
57.07064	15.3
67.05490	15.4
69.03416	5.9
69.07056	45.2
70.06579	5.6
71.04983	6.5
71.08603	7.6
71.10625	1.6
71.26585	3.5
72.08140	2.3
79.05473	16.1
79.73263	1.4
81.03403	5.7
81.07041	23.9
83.04971	14.7
83.08612	4.4
85.02895	8.1
85.06546	2.8
88.07623	6.8
91.05467	18.2
93.07029	29.4
95.04948	32.3
95.08585	18.2
97.02903	1.5
97.06477	8.4
97.10165	6.4
99.04436	5.3
102.09157	3.2
105.07004	10.6
107.04951	7.5
107.08549	12.3
109.06528	3.8
109.09487	1.6
109.10098	8.6
110.03662	1.9
111.04419	20.3
111.08041	3.1
117.07008	6.0
119.08569	16.8
121.06489	5.1
121.10116	12.3
123.08063	6.7
125.06012	2.1
125.09621	2.9
126.51208	1.4
129.06966	1.4
131.08571	6.8
133.10124	6.9
135.08014	10.2
135.11703	3.3
137.09651	1.9
139.11154	3.1
143.08542	3.0
145.10135	5.3
147.08034	5.2
147.11707	3.8
149.02310	14.1
149.09630	4.6
149.13206	3.9
151.11227	2.4
151.98170	1.6
153.05379	1.5
153.20389	1.8
159.11678	6.8
161.09648	3.1
161.13214	2.2
167.14319	4.1
173.13319	3.8
177.05457	1.7
177.12770	6.5
183.11647	2.2
193.04910	31.2
194.05318	1.9
195.13802	2.5
196.62579	6.0
200.20143	5.3
203.12729	2.1
205.12354	2.8
207.13852	4.4
209.11748	2.7
219.13777	3.4
224.65668	6.1
225.15158	1.7
228.23143	1.7
237.11185	2.9
237.14809	37.6
238.15242	1.6
241.14235	3.2
247.12941	1.6
247.20599	1.8
256.26260	3.4
257.18936	2.1
275.20032	38.3
276.20187	2.5
280.11829	3.7
289.30450	1.6
293.21048	100.0
294.21429	6.3
311.24570	63.9
311.74612	22.8
312.26727	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2211
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
55.01856	5.1
55.05498	9.1
57.03409	2.2
57.07067	15.7
64.84579	1.5
65.03907	2.6
65.93756	1.5
67.05492	13.7
69.03414	3.4
69.07055	42.4
69.84323	1.6
70.06577	7.4
70.25100	3.8
70.25487	2.4
71.04966	2.9
71.08617	8.6
72.08125	2.0
79.05475	16.1
81.03403	6.8
81.07040	20.1
83.04954	12.2
83.08595	4.5
84.08134	2.4
85.02886	5.8
88.07602	3.6
90.18665	1.4
91.05462	11.9
93.07032	20.0
95.04945	28.7
95.08587	17.0
97.06519	6.3
97.10145	4.3
99.04434	3.3
102.09173	3.6
105.07012	7.2
107.04924	4.4
107.08569	10.9
109.06507	4.6
109.10149	5.4
109.54470	2.5
111.04428	14.0
117.07021	6.1
118.78307	1.7
119.08556	13.4
119.36127	1.7
121.06503	4.0
121.10126	10.9
123.08088	3.9
123.11661	1.8
125.09570	1.8
131.08542	6.1
131.55725	2.7
133.06451	1.9
133.10117	5.6
135.08000	9.8
135.11656	4.5
137.05994	1.9
137.09579	2.6
139.11121	3.1
145.10104	4.4
147.08067	8.5
147.11693	2.1
148.41597	1.7
149.02309	21.0
149.09615	5.1
149.13213	2.7
151.11145	2.6
157.10127	2.4
159.11696	6.1
161.09590	2.9
163.11230	2.8
165.09164	2.2
167.14351	4.6
173.13135	2.9
174.18456	1.8
174.61261	2.0
177.05597	1.7
177.12761	3.5
183.11729	3.0
187.11206	2.1
193.04932	44.2
194.05264	3.0
195.13899	2.2
196.62508	9.2
197.12749	2.6
200.20107	5.3
201.12746	3.3
203.12794	2.5
205.12105	1.9
207.13895	3.4
224.65657	5.5
225.14890	3.4
237.11038	2.2
237.14799	35.3
241.14359	2.1
256.26398	4.8
262.10669	2.1
275.20044	31.7
280.11679	3.7
293.21048	83.1
294.21555	3.0
311.24512	100.0
311.74673	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	311.221
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
51.45607	1.1
55.01863	4.1
55.05508	6.2
56.01468	1.1
57.07065	32.0
67.05489	13.3
67.72830	0.9
68.99762	1.9
69.03396	2.6
69.07041	4.6
69.85696	1.0
69.86060	6.6
70.06554	1.9
71.01321	1.6
71.04974	2.2
71.08604	1.7
72.08110	1.4
72.26810	1.0
79.05489	7.5
81.03387	2.1
81.07046	8.7
83.04948	10.1
83.08600	3.1
85.02879	2.6
88.07600	2.4
91.05471	11.8
93.07032	13.6
95.04937	3.1
95.08583	12.0
97.06507	3.2
97.10146	1.6
99.04408	1.1
99.12066	0.9
102.09167	1.3
103.01357	1.3
105.07008	12.9
107.04942	2.7
107.08586	6.1
109.02881	5.1
109.06448	1.2
109.10151	7.7
111.04425	19.0
111.05179	1.3
111.08041	2.6
117.06977	3.0
119.08553	11.6
121.06477	1.7
121.10130	8.1
123.08064	2.6
125.05956	7.0
125.09634	1.9
129.06944	1.9
129.38025	0.9
131.08540	7.6
133.10095	7.9
135.04385	3.9
135.08018	2.1
135.11642	2.6
137.09615	3.1
139.07533	1.1
139.11140	2.8
141.09091	1.0
143.08577	1.0
145.10045	5.5
147.08028	2.4
147.11665	3.1
149.02319	4.0
149.09578	4.5
149.13281	1.2
153.05449	17.9
155.10664	1.7
159.11658	3.7
163.03938	1.1
163.11163	6.2
170.12199	1.1
171.11658	1.8
173.11783	6.1
173.13078	1.8
181.04956	4.2
181.12193	9.7
182.84865	1.0
183.11621	2.5
189.11191	1.3
191.10648	12.1
193.04938	7.7
193.08490	1.8
197.13228	1.9
200.20061	1.4
209.11691	100.0
210.12033	4.4
219.10077	1.8
224.65555	1.2
229.19380	1.9
237.11177	93.1
238.11552	5.1
239.17929	3.3
255.12244	28.3
256.12527	1.7
257.19009	1.5
265.21548	1.8
275.20029	17.2
276.20340	1.5
293.17407	11.0
293.21042	7.0
311.18613	13.6
311.24557	20.2
311.74625	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	311.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
55.05507	0.8
56.05014	0.4
57.07056	1.0
65.03925	0.4
67.05486	1.3
68.05016	0.4
69.03416	0.7
69.07059	1.3
69.28056	0.5
70.02952	0.4
70.06581	2.0
70.43235	0.8
70.43633	0.9
71.04969	0.7
72.08142	1.2
73.02891	0.6
74.02424	0.5
76.02194	0.4
78.36304	0.4
79.05465	1.2
81.03391	0.6
81.05774	0.5
81.07047	1.2
82.06559	0.8
83.04938	0.5
84.04491	1.0
84.08131	4.9
85.02892	1.7
85.06530	0.6
86.09697	1.0
88.02224	0.6
89.05986	0.4
91.05470	5.2
93.07046	2.3
94.06548	1.6
95.04960	1.8
95.08602	1.0
96.04466	2.3
96.08096	1.6
97.02850	0.6
98.06056	1.5
100.07629	0.5
103.03960	0.4
105.00048	0.4
105.03381	1.5
105.07028	0.5
106.06522	0.7
107.04942	1.7
108.08101	1.8
109.02856	0.5
110.06017	8.1
110.06823	0.4
110.07137	0.7
112.07587	1.8
113.06008	0.5
113.09613	1.0
119.04930	2.5
120.08084	0.7
121.08411	0.8
122.06007	2.8
123.04403	0.5
124.07566	17.1
126.05518	1.6
129.10239	0.9
130.04968	0.4
131.04895	0.5
131.06993	0.6
134.05986	1.6
135.04430	0.6
136.07550	100.0
137.05986	0.9
137.07947	1.7
138.05482	1.4
138.09114	2.3
138.35657	0.4
139.06248	0.8
140.07034	13.8
142.08601	12.0
147.04376	8.5
147.11238	0.4
148.04715	0.5
148.07484	0.4
150.05554	0.8
151.03856	0.7
152.07024	5.2
154.08600	85.5
155.08934	1.7
156.06549	0.8
156.10170	1.9
158.08057	0.9
159.66124	0.4
161.05925	0.6
161.07077	0.5
162.07838	0.6
164.07045	0.8
166.08604	2.2
167.07034	0.7
170.08086	3.8
177.05424	1.3
180.06580	0.5
189.05472	0.6
197.08302	0.8
198.42384	0.5
208.09644	1.0
212.10725	1.6
221.08176	0.5
229.13232	0.6
247.14346	0.5
257.12741	2.0
258.11185	1.4
266.10175	0.5
275.13861	6.7
293.06427	0.6
293.11276	4.5
293.14880	9.5
294.09476	0.8
311.12354	4.2
311.15909	34.6
312.16095	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	311.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51818	0.3
53.50521	0.2
55.05501	0.5
61.02901	0.3
67.04240	0.3
67.05503	0.8
68.97310	0.3
69.03429	0.7
69.07060	0.7
70.06582	0.8
70.27454	1.1
70.27794	0.4
72.08138	1.7
73.50061	0.4
79.05494	0.3
80.05002	0.3
82.06577	2.9
84.08119	2.0
85.02915	0.4
85.06515	0.6
86.06038	0.5
86.09686	0.5
91.05465	3.4
93.07034	0.9
94.06541	0.5
95.04968	0.9
100.36016	0.3
105.03391	1.2
107.04951	1.2
108.04391	0.4
108.08087	0.3
109.06503	1.0
110.06023	100.0
111.05659	0.3
111.06369	1.3
111.08044	0.4
112.07583	3.1
115.05493	0.3
116.59972	0.3
119.04926	1.0
119.07375	0.3
119.08531	0.4
120.08093	0.4
122.06030	0.9
124.07571	1.0
131.04889	0.5
134.09622	0.5
135.04466	0.6
135.08043	0.4
136.07549	2.8
137.05940	1.1
138.05580	0.4
140.07043	30.1
142.08621	3.4
147.04384	4.6
147.07841	0.4
148.07439	0.4
149.05974	0.7
152.07010	0.5
153.84648	0.3
154.08600	4.2
156.06552	1.5
162.05472	0.4
162.09103	3.4
164.07028	0.4
167.07080	0.3
172.09648	2.7
177.05460	0.9
180.10187	3.0
187.07347	0.4
190.08539	0.6
191.06927	0.5
207.11212	0.5
208.09659	11.9
208.11642	0.6
209.09985	0.4
222.14816	0.4
223.04233	0.8
223.15102	0.4
230.11792	0.8
248.12830	0.9
251.13881	0.9
257.12930	0.5
258.11353	0.5
275.13907	3.5
276.12195	1.0
293.14914	19.3
294.15344	0.4
299.45981	0.3
311.12375	1.0
311.15945	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	311.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.2
55.05498	1.4
56.05019	0.8
57.03415	0.7
57.07055	0.6
67.05486	2.5
69.03420	3.4
69.07052	1.0
70.06580	4.5
71.52872	1.3
72.08143	5.8
73.02916	0.7
79.05487	1.6
80.05012	1.1
80.25571	0.7
81.03384	1.1
81.07031	1.0
82.06562	3.3
84.04489	1.0
84.08128	5.6
85.02886	1.9
86.06047	2.2
86.09694	2.8
91.05465	11.6
93.07026	4.6
94.06561	1.5
95.04980	1.6
95.08601	1.4
96.04437	1.3
97.02808	0.8
99.04440	0.8
100.07605	0.8
103.03939	1.3
103.05450	0.7
105.03376	5.2
105.07008	1.3
107.04939	3.6
109.02872	1.1
109.06475	2.4
110.06020	100.0
111.06383	0.9
111.08070	2.0
112.07580	3.0
117.07041	1.2
119.04904	3.4
119.08554	1.3
120.08106	2.1
121.02810	0.7
121.06451	1.0
121.10140	1.4
122.06011	4.2
123.04366	1.2
124.03950	0.8
124.07568	1.7
126.05482	0.8
129.10237	1.6
131.04958	0.8
133.02780	0.8
133.06421	0.7
133.07579	1.1
134.05956	1.0
134.09605	1.5
135.04408	1.7
135.08051	2.2
136.07552	13.8
137.05952	4.7
138.05476	1.2
138.09100	1.3
140.07034	36.5
141.07350	0.8
142.08594	3.0
145.06497	0.8
147.04373	8.9
149.05904	1.1
150.09135	0.9
151.03841	1.2
152.07120	1.0
152.10663	1.7
154.08591	13.4
156.06491	2.0
156.10164	1.1
161.05936	1.0
162.05432	1.2
162.09100	14.9
163.07530	1.2
164.07085	1.2
164.10619	0.7
172.09625	3.3
177.05457	3.0
180.10158	12.4
190.08612	3.2
191.06992	1.0
207.06500	0.8
207.11243	1.7
208.09644	53.9
209.10066	0.8
223.04257	1.7
223.15169	1.3
224.16464	1.4
230.11703	1.0
235.13875	0.8
248.12843	1.2
251.13838	0.7
251.61839	0.8
258.11084	1.1
267.13358	0.8
268.02020	0.8
275.13892	6.2
276.12323	1.4
293.06439	1.1
293.14886	45.6
294.09750	1.0
294.15292	1.4
295.23541	0.8
311.12161	3.3
311.15936	35.3
311.19449	2.0
311.23123	1.2
311.25446	1.2
312.10889	1.6
312.15967	1.3
312.26236	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	309.2053
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03933	1.2
55.01857	2.1
55.05504	7.1
57.03424	2.7
57.07067	1.2
67.05494	19.0
68.05820	0.4
69.03416	0.6
69.07057	6.5
69.48010	0.8
69.48410	2.6
70.04060	1.1
71.04970	1.9
78.93996	0.3
79.05476	15.8
80.05830	0.5
81.03401	1.4
81.07041	12.9
81.07523	0.6
83.04965	2.2
83.08610	0.9
85.02880	1.3
85.06528	1.2
91.05473	5.1
93.07026	7.3
95.04951	4.6
95.08589	100.0
96.08908	2.2
97.06511	4.1
99.08092	0.5
105.07006	6.4
105.07670	0.4
107.04985	1.7
107.08572	13.2
108.08916	0.5
109.06513	1.9
109.10136	1.6
113.09594	1.0
117.07006	1.1
119.08552	2.9
121.06478	0.5
121.10115	2.0
123.08044	7.0
123.08933	0.4
123.11659	2.0
124.46628	0.4
125.09609	0.6
129.06989	0.5
131.08542	0.8
133.10107	2.6
135.11740	0.4
137.09596	0.8
139.11157	0.7
141.09073	7.6
143.08540	0.4
145.10100	0.9
147.11670	1.1
149.09596	1.4
150.33736	0.4
151.07542	0.5
151.11107	0.8
157.10132	0.6
157.12215	0.7
159.10139	66.5
160.10472	1.8
161.13254	0.9
163.11104	0.5
169.12225	1.3
197.15334	4.6
239.12790	0.6
245.19038	0.8
256.73645	0.3
263.20016	11.7
264.20398	0.6
291.19510	1.6
309.20523	8.9
309.23898	0.7
310.20789	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68501	1.0
53.03933	5.4
55.01851	4.8
55.05497	12.1
57.03419	2.9
59.61726	1.1
59.86732	1.0
65.03915	2.0
67.05495	10.1
69.03414	52.2
69.07039	4.6
70.46210	3.4
71.01340	9.6
71.04974	7.6
72.08144	2.9
73.02881	3.1
77.53762	1.1
78.06454	1.1
79.05471	15.0
81.03391	6.3
81.07040	10.9
83.04964	38.1
85.02885	56.6
86.03235	1.2
87.04488	1.2
91.05463	57.6
92.05816	1.2
93.03376	4.7
93.07022	59.0
95.04948	10.4
95.08584	11.3
97.02871	2.8
99.04410	2.3
99.79768	1.2
101.05972	1.8
103.05461	2.1
104.06224	1.9
105.03333	1.3
105.07001	10.8
107.04906	3.2
107.08568	5.4
109.06475	5.0
109.10133	4.8
111.04417	21.3
115.05414	2.2
117.07001	15.7
119.08554	100.0
120.08904	2.9
121.06479	4.2
121.10122	12.6
123.04398	3.0
123.08043	4.3
126.09116	2.9
128.06184	1.5
129.05460	21.7
129.06938	10.6
131.08540	2.9
133.06479	1.4
133.10095	3.0
135.08003	4.5
137.05994	5.6
137.06886	1.3
137.09566	8.2
144.10219	1.4
145.06464	1.4
145.10094	1.5
147.08014	54.1
148.08377	2.3
149.05887	1.5
149.09581	4.2
151.11147	3.0
157.10139	1.5
161.09576	1.7
162.07591	3.3
163.07512	2.3
165.09070	28.0
167.10626	1.9
172.62755	1.2
180.13823	1.3
181.08430	1.3
183.10118	2.3
183.11591	1.3
189.09097	2.0
203.10655	1.4
208.16911	8.0
215.10608	1.6
216.12474	1.0
275.12796	2.2
293.13730	7.4
294.20474	7.4
311.15115	12.0
311.19925	1.6
311.23120	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	309.2054
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03921	3.5
55.01860	14.7
55.05503	17.5
57.03406	6.9
59.04972	1.9
65.03923	2.3
67.05177	2.2
67.05496	27.0
69.03403	4.8
69.07058	9.8
70.45977	6.2
71.04971	9.6
71.21546	1.8
75.04440	2.2
76.45290	1.8
79.05477	36.7
81.03397	2.3
81.07042	61.7
83.04964	24.3
83.08599	10.8
85.02893	20.6
85.06524	4.8
91.05449	16.1
93.07026	25.8
95.04951	14.9
95.08612	11.4
97.06494	4.6
97.10131	7.6
99.04413	4.4
105.03423	1.8
105.07021	12.5
105.11625	1.8
107.04915	5.1
107.08569	15.1
109.06488	19.6
109.10132	10.6
111.03703	3.3
111.04420	34.5
111.08049	12.4
113.06034	4.8
117.07013	11.7
119.08559	27.1
121.06474	11.8
121.10109	12.4
123.08031	7.5
125.06006	2.2
125.09599	7.3
129.06963	4.1
131.08527	11.2
133.10092	5.3
135.07999	6.8
135.11626	11.6
137.09593	3.6
143.08522	4.3
145.10088	19.4
147.06845	2.2
147.08009	14.6
147.11627	3.0
149.09613	6.1
153.09026	2.2
153.12737	12.0
157.10165	3.0
159.08113	1.9
159.11641	4.9
161.09575	5.0
163.11168	18.7
165.09068	3.5
171.11642	3.3
173.09625	4.5
181.12204	15.0
189.11148	6.3
191.10573	13.0
209.11601	4.2
223.13193	4.1
227.12701	9.6
227.17877	2.2
245.18845	1.8
249.14850	6.4
255.17453	2.7
273.18402	32.0
274.18634	2.3
281.12335	2.0
291.19479	100.0
292.19778	5.5
309.20511	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	309.2053
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
51.82603	2.0
53.03933	7.5
55.01855	7.1
55.05502	14.6
57.03422	10.5
57.07063	5.2
59.04983	3.0
61.26579	1.9
65.03941	2.5
67.05492	41.6
69.03429	3.5
69.07059	16.4
69.23521	21.9
70.06579	2.2
71.04977	7.3
71.08606	1.9
72.08146	2.0
72.20599	2.1
75.69538	2.1
76.02207	2.1
76.72754	1.7
79.05476	46.9
81.03398	17.0
81.07037	100.0
82.07378	2.4
83.04959	11.5
83.08598	7.0
85.02876	13.3
85.06517	8.3
91.05467	23.9
93.07026	38.8
93.07580	1.6
95.04948	27.5
95.08585	24.7
97.06499	7.0
97.10154	5.2
99.04346	2.1
99.08061	4.1
105.07001	18.3
107.04943	13.1
107.08562	16.8
109.06491	69.4
109.10143	12.1
111.04450	16.2
111.08033	4.5
113.05994	5.9
117.07005	6.9
119.08561	16.8
120.08105	2.0
121.06487	4.9
121.10104	12.3
123.04386	3.0
123.08047	7.4
125.09576	4.3
129.05443	3.7
129.06961	3.8
131.08513	12.3
133.06470	5.6
133.10080	7.5
135.08025	11.2
135.11665	4.5
137.09557	2.8
143.08563	5.2
145.06418	2.5
145.10039	14.3
147.04362	2.1
147.08002	8.8
147.11653	6.4
149.09581	9.8
149.86597	2.2
151.11136	3.1
153.12880	2.0
157.10123	5.7
159.11652	2.3
161.09612	10.2
163.11148	6.4
171.11818	2.8
173.09634	2.7
175.14813	2.1
181.12166	5.2
187.14790	1.8
191.10619	5.8
193.12238	9.1
199.14684	3.1
207.13712	2.6
211.13248	2.9
217.15912	2.5
223.13319	3.0
227.12769	2.7
245.19008	3.7
249.14871	2.7
249.23297	4.2
255.17407	4.4
263.19998	12.8
273.18481	16.1
280.08099	2.0
291.19452	57.5
292.19702	3.3
309.17282	2.7
309.20560	12.9
309.24167	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	309.2053
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03929	4.0
55.01862	8.4
55.05502	30.4
57.03426	29.6
59.04989	2.6
67.05491	28.6
69.03414	7.4
69.07046	12.0
69.99441	5.2
69.99850	2.4
71.04980	12.8
73.02875	2.5
75.04472	6.6
76.42068	1.4
79.05474	31.9
81.03413	4.1
81.07037	53.6
83.04958	8.6
83.08607	12.3
83.09020	2.3
85.02886	45.2
85.06509	7.0
87.04449	1.7
91.05462	28.1
93.07020	24.2
95.04950	10.5
95.08576	18.1
97.02856	2.2
97.06501	4.0
97.10144	16.7
99.08086	5.9
101.05996	2.0
105.07011	19.9
107.04925	17.3
107.08570	19.9
109.06483	19.5
109.10134	8.1
111.04430	4.0
115.05442	1.8
117.06989	17.6
119.04987	1.9
119.08557	34.3
121.06487	9.7
121.10103	10.5
123.08043	7.6
123.40518	1.4
125.09596	15.1
128.06168	2.1
129.05428	11.6
129.06923	9.2
130.07753	1.9
131.08525	13.2
133.06490	3.9
133.10103	6.5
135.08034	10.2
135.11655	3.2
137.09602	2.8
143.08530	6.5
145.04910	1.5
145.10097	19.0
147.04395	2.6
147.06520	8.5
147.08018	21.5
147.11662	4.8
148.10832	1.5
149.09566	5.4
149.13161	2.1
153.09045	2.2
155.08340	1.6
157.10135	8.4
159.08023	4.5
159.11644	5.8
161.09593	7.6
163.11209	3.7
165.09070	3.9
169.10092	2.0
171.10172	2.7
171.11664	4.2
173.13213	5.4
175.11206	3.4
177.12708	1.6
182.15396	4.8
183.11734	2.7
185.09544	1.8
185.13167	1.9
189.11145	11.1
189.16417	1.9
199.14679	2.5
201.12680	3.3
210.14862	7.2
217.15887	4.4
219.13748	8.0
223.13321	3.5
227.17871	2.9
237.14581	1.6
245.19057	3.4
249.14812	5.8
255.17505	4.6
263.20016	3.0
273.18417	40.5
274.18762	2.8
291.19482	100.0
292.19894	8.0
309.20599	3.9
314.86603	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	309.2053
Annotation	Albocycline
Peak:m/z	Relative Intensity
53.03930	0.9
55.01865	3.7
55.05502	17.4
57.03413	1.7
57.07043	1.1
59.04977	1.0
67.05489	10.5
69.03412	3.3
69.07053	11.7
70.07021	1.9
70.07414	1.4
71.04964	1.4
73.68369	0.7
79.05482	11.2
80.00047	0.8
81.03384	2.2
81.07037	14.6
81.12043	0.7
83.04956	2.2
83.08598	10.7
85.02883	1.2
85.03717	0.8
85.06527	1.2
91.05456	7.1
93.07025	9.0
95.04942	4.7
95.08594	8.7
97.02890	1.7
97.06493	1.9
97.09534	1.0
97.10146	16.9
98.20798	0.8
105.07011	6.2
107.04971	3.5
107.08584	8.1
109.02817	0.8
109.06489	2.3
109.10117	2.7
111.04430	1.5
111.08051	1.2
115.05475	0.9
117.06983	2.6
119.04927	0.9
119.08549	6.4
121.06500	1.7
121.10118	4.4
123.08047	4.6
123.11705	1.3
125.09601	11.7
129.07010	1.0
131.08533	3.9
133.06441	2.6
133.10091	2.2
135.08008	3.3
135.11687	1.8
137.05972	1.8
137.09576	2.0
143.08563	1.7
145.10062	2.9
147.08025	1.9
147.11673	2.1
149.09621	1.1
157.10100	1.9
159.07968	0.9
159.11610	1.3
161.09561	2.0
163.11125	2.0
165.09077	2.3
171.11574	1.0
175.11215	1.7
189.11162	8.5
189.12692	1.2
211.13329	0.9
223.13184	6.0
223.15207	0.9
245.18864	0.8
255.17323	1.6
273.18460	8.8
291.19473	100.0
292.19891	6.6
309.20621	4.6
309.23935	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2053
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03922	3.9
55.01859	14.2
55.05500	49.2
57.03424	14.8
57.07052	2.7
59.04976	2.4
65.03920	2.2
67.05491	45.5
68.05834	1.4
69.03413	8.8
69.07053	27.1
69.39857	11.3
69.94245	1.2
71.01328	1.3
71.04978	20.8
71.79030	1.2
73.02916	2.2
74.39658	1.1
75.04458	8.2
77.03883	1.3
79.05006	2.2
79.05474	51.6
81.03406	19.1
81.07037	100.0
82.07359	2.1
83.04491	1.5
83.04961	20.9
83.08596	28.8
84.08114	1.3
85.02885	48.9
85.06517	3.9
87.04433	1.9
91.05460	30.8
93.07025	50.3
95.04372	1.6
95.04945	19.5
95.08583	33.3
97.02868	2.9
97.06503	14.5
97.10143	41.7
97.47857	1.3
99.04422	3.5
99.08059	5.8
105.07014	28.7
107.04919	11.0
107.08562	34.4
109.02864	1.5
109.05861	1.7
109.06500	13.4
109.10135	17.9
111.04418	19.3
111.08064	9.4
113.05948	4.3
117.06998	12.6
119.08563	27.3
120.08865	1.3
121.06496	8.7
121.10117	18.1
123.04380	2.7
123.08042	35.5
123.11634	2.9
124.08352	2.5
125.05853	1.5
125.09601	32.5
127.03852	2.5
129.05461	11.1
129.06966	5.4
131.08554	14.6
133.06480	1.6
133.10097	13.7
134.10408	1.6
135.08049	10.9
135.11655	8.2
137.09592	13.3
139.07484	1.5
139.11145	3.7
141.08810	1.3
143.08514	3.7
143.10652	2.1
145.06473	1.8
145.10101	15.3
147.06531	6.6
147.08005	11.4
147.11668	7.6
149.09581	10.2
149.13220	3.3
151.11096	2.0
153.09123	6.8
153.12614	6.0
155.08569	1.6
157.10083	5.5
159.10344	1.2
159.11685	6.3
161.09604	5.7
163.09856	2.1
163.11145	25.1
165.09027	10.3
165.12727	1.7
169.10117	1.7
169.12285	1.6
171.10092	3.2
171.11653	4.5
173.09590	1.7
173.11821	1.6
173.13217	4.5
175.11137	5.9
177.12711	3.0
179.10612	1.9
181.12183	12.6
183.10144	1.8
185.13220	2.2
187.11133	1.9
189.11189	33.4
191.10643	7.7
193.12192	10.6
199.14673	2.0
205.12183	2.0
209.11763	1.8
211.13194	6.1
217.15891	3.7
219.13754	2.1
221.15356	1.6
223.13293	6.2
227.12738	8.0
227.17909	3.3
245.18896	3.9
247.20396	1.4
249.14783	1.6
255.17310	4.1
263.19992	4.0
273.18451	32.0
274.18820	2.6
291.19479	100.0
292.19858	5.2
309.20511	34.2
309.38876	1.4
310.20703	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2054
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03929	9.2
55.01859	18.5
55.05498	28.7
57.03414	7.4
57.07054	4.9
59.04988	3.4
59.67759	1.9
63.31101	2.6
65.03928	2.9
67.05492	80.0
69.03409	7.3
69.07049	32.6
69.54355	16.5
71.04984	11.5
76.31187	2.1
79.05479	44.0
81.03403	13.3
81.07040	91.4
83.01290	3.0
83.04960	15.3
83.08614	13.9
85.02877	4.5
85.06523	7.2
86.62322	2.0
91.05457	55.5
91.06013	3.8
93.07024	52.3
95.04950	14.4
95.08590	61.8
96.08951	3.6
97.02849	2.3
97.06519	8.5
97.10139	5.8
99.04446	7.1
104.00608	2.4
105.07006	50.2
106.07346	2.5
107.04948	14.7
107.08572	56.3
109.02882	2.9
109.06477	14.9
109.10136	81.0
110.10432	2.4
111.04411	8.1
111.08078	7.5
113.05986	6.4
117.06991	9.2
119.08564	23.7
121.06488	9.0
121.10114	14.2
123.04433	2.2
123.08044	17.7
123.11676	12.9
124.12095	2.4
125.09630	7.1
127.07497	3.9
128.06215	2.6
129.06990	7.3
130.07683	2.2
131.08545	17.6
133.06471	8.0
133.10104	100.0
134.10437	5.2
135.08025	7.9
135.11668	8.9
137.05959	4.4
137.09579	9.0
139.07523	5.0
143.08513	10.3
145.10106	15.0
147.07996	10.4
147.11646	8.8
149.09590	10.0
151.11147	58.6
153.09055	3.1
157.10086	5.3
159.08009	2.3
159.11656	5.3
161.09625	16.0
161.13235	3.3
163.11147	2.3
167.10687	2.6
169.12187	21.3
171.11656	5.1
173.09595	2.9
175.11151	10.5
177.12637	3.6
179.10617	6.2
181.12209	2.8
185.13251	2.7
189.11180	3.3
189.12729	5.5
195.10242	3.1
199.11156	3.1
200.06982	2.2
203.14412	3.5
207.13683	2.7
215.12804	11.3
217.12138	4.1
223.13185	3.1
227.17899	4.1
245.18994	14.4
246.16435	2.3
255.17397	7.5
263.20016	15.2
273.15506	2.7
273.18457	44.6
274.18860	2.5
291.19443	67.7
292.19739	4.6
309.20538	26.5
309.24191	9.3
310.23990	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	309.2054
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03914	4.2
55.01862	43.1
55.05500	28.3
57.03428	16.7
57.07067	1.6
58.73074	1.3
59.04978	3.5
62.94907	1.3
65.03912	1.4
67.05493	42.8
67.62070	1.5
68.05834	1.4
69.03415	12.6
69.07056	22.7
69.49840	9.5
71.01328	1.6
71.04981	30.6
71.76309	1.5
72.07752	1.7
72.08140	23.8
73.02888	6.3
75.04466	13.7
76.02213	1.9
76.53026	1.7
77.03815	1.3
79.05478	36.5
80.56631	1.4
81.03405	13.5
81.06584	2.5
81.07037	31.2
83.04965	29.6
83.08600	10.1
85.02888	100.0
85.06496	4.4
86.03200	2.1
87.04440	3.6
91.05466	31.0
93.07025	47.2
94.07373	1.4
95.04955	26.4
95.08590	31.1
97.02860	6.0
97.05927	2.8
97.06516	45.6
97.10152	11.0
99.04434	15.6
99.08048	3.9
101.05949	2.2
103.03913	2.0
103.05482	1.6
105.03362	2.0
105.06367	2.3
105.07007	23.6
107.04942	12.0
107.08566	25.2
109.02832	1.5
109.06509	14.3
109.09468	1.5
109.10144	18.5
111.04421	71.2
111.08045	5.6
112.04734	1.6
113.05959	5.9
117.06984	8.7
118.08646	9.6
119.08559	20.3
119.48010	1.5
121.06457	6.1
121.10119	14.6
123.08059	12.7
123.11677	4.4
125.09596	10.0
127.03859	4.4
128.06223	2.2
129.05461	25.3
129.06978	4.4
131.04898	1.5
131.08553	11.1
133.04933	2.4
133.06447	3.3
133.10126	18.0
135.08032	8.6
135.11664	4.4
137.05988	2.7
137.09573	14.2
139.07529	2.1
139.11166	1.7
143.08540	4.2
145.04880	2.3
145.10060	5.5
147.06503	15.3
147.07872	7.1
147.11691	9.9
149.09598	9.4
149.13187	4.4
151.11136	12.6
153.09093	16.3
155.08519	1.8
157.10066	5.2
159.07982	1.5
159.10194	3.0
159.11621	5.3
161.09589	9.2
161.13184	2.5
163.03915	1.4
163.11145	4.1
165.09010	3.1
167.10590	1.6
171.11629	3.4
173.11667	6.2
173.13126	2.3
175.11151	8.4
177.12659	2.0
179.10527	2.9
185.13290	4.2
187.11099	2.4
189.11153	6.9
189.12724	3.5
189.16385	1.7
193.12161	4.6
195.13725	2.8
199.11263	1.5
199.14772	2.5
205.12259	1.6
207.13808	2.2
217.12257	2.6
217.15785	3.5
223.13184	4.7
227.17889	2.3
231.13872	1.8
235.13150	1.9
245.19083	3.3
246.18430	1.9
249.14764	3.9
255.17360	4.4
263.19998	11.1
264.19562	6.1
267.15802	2.8
273.18445	21.6
274.18787	1.7
291.19492	71.3
292.19449	4.8
309.11243	1.8
309.20499	54.2
309.27713	2.3
310.19958	7.1
325.07208	1.3
331.14691	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	309.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.9
55.01859	2.6
55.05493	2.5
57.03411	4.4
61.02895	1.6
67.05485	8.8
68.05007	1.3
69.03410	3.1
69.07046	4.3
70.06586	6.2
71.04981	1.5
71.53844	1.9
72.08145	2.6
73.02897	3.7
75.04446	1.0
76.02208	1.8
79.05467	2.7
81.03388	4.9
81.07022	2.4
82.06549	7.0
83.04944	1.6
84.04493	3.6
84.08121	5.6
85.02896	5.8
85.04810	1.2
86.09684	5.4
87.10001	1.1
88.03989	1.7
89.03899	2.3
91.05448	9.4
91.79648	1.1
93.03387	5.1
93.07025	3.6
95.04964	6.4
95.92035	1.2
96.04483	14.7
96.08170	1.4
97.02884	1.8
98.06012	1.3
101.02348	2.3
102.05532	1.2
103.03922	6.0
103.05437	2.5
105.07007	3.0
107.04949	2.0
108.08086	1.9
109.02850	3.3
109.06519	1.9
110.06020	36.6
111.04422	3.2
112.07630	1.2
115.05442	6.2
117.03342	5.1
117.07001	2.8
119.04893	4.3
119.08563	7.8
120.08110	3.1
121.02814	2.5
121.06453	1.5
122.06030	1.7
123.04366	1.7
124.07536	7.3
126.05454	1.7
127.03819	2.0
127.05370	1.3
128.06157	2.1
128.07047	3.1
129.06940	4.2
129.10194	2.7
130.06422	1.2
131.04919	4.5
134.03612	1.8
135.04364	3.6
135.07990	1.2
136.07544	63.9
137.05939	4.3
137.07962	1.6
138.04434	1.9
138.05469	25.6
138.38524	1.2
139.05507	1.2
140.07022	4.0
141.05434	2.3
141.06940	2.8
143.04912	8.4
145.02780	11.0
145.06454	3.3
146.03569	1.3
147.04399	11.7
147.08002	3.3
149.05945	21.9
150.05458	1.6
151.03888	1.2
152.07005	5.8
153.05441	1.8
154.08597	89.1
155.08859	2.1
156.06526	20.1
157.06493	3.2
158.09650	1.2
159.04488	1.6
159.07906	1.4
160.05157	3.9
161.05943	11.4
162.03131	2.2
163.03871	9.7
163.07544	3.0
165.08965	1.3
169.06470	4.3
171.04379	4.6
173.05965	1.5
175.03908	8.3
175.07491	18.4
176.04634	2.3
177.05435	100.0
178.05779	4.2
179.05315	1.2
179.06908	1.5
184.05069	1.7
185.05888	3.9
187.07472	4.0
188.04654	1.8
188.09402	3.2
189.05391	3.9
190.06148	1.4
190.08627	1.9
191.07022	9.8
193.04958	3.6
195.06383	1.3
199.07454	1.4
200.04756	1.4
200.10706	2.8
201.05428	4.1
201.09070	2.3
203.06956	15.8
205.04932	2.2
205.08603	1.4
207.06485	37.4
208.02820	6.7
208.06735	2.6
212.04582	3.0
213.05391	3.8
215.06976	3.8
216.06511	1.5
217.05003	2.5
217.06856	4.9
217.08580	3.3
217.13310	2.7
218.08066	2.8
218.11696	1.7
219.06470	7.3
221.08029	3.0
227.06895	6.8
227.11710	2.1
228.10344	2.6
229.08607	3.5
231.06450	12.7
231.11203	2.5
241.05049	1.2
245.08035	10.2
245.10243	1.2
245.10670	1.4
245.12802	10.0
246.11105	6.3
247.05951	2.0
249.07417	9.2
249.12218	2.3
255.11124	3.1
256.09659	1.6
260.11496	1.7
263.09088	4.3
263.13684	1.8
264.12231	1.4
273.07544	11.1
273.12222	6.9
274.10715	8.4
291.08685	6.2
291.13354	11.7
292.11716	23.4
309.09598	23.7
309.14359	79.5
310.14615	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	309.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.0
54.78350	0.9
55.01854	2.0
55.05502	5.3
56.05016	3.8
56.96551	4.3
57.03424	7.8
58.99579	1.1
59.04987	1.2
60.04500	2.6
60.05626	1.9
61.02919	4.7
65.03916	2.5
67.04211	0.9
67.05498	9.5
68.05019	2.1
69.03108	0.9
69.03422	8.1
69.07037	3.4
69.96066	5.5
70.06581	15.0
71.04963	3.7
71.06883	1.1
72.08139	14.6
73.02904	15.1
74.06044	2.8
74.97558	1.1
76.02209	1.8
79.05462	2.1
80.05004	1.5
81.03402	7.9
81.07033	2.7
81.71288	0.9
82.06567	12.7
83.04972	2.3
83.06071	2.3
83.08614	0.9
84.04488	6.3
84.08130	34.1
85.02885	12.3
85.06516	1.7
85.08437	1.2
86.06053	2.5
86.09712	5.3
87.04416	1.8
88.02193	4.2
88.03957	2.5
91.05469	11.5
93.03371	3.6
93.07001	3.0
94.06548	2.6
95.01286	1.0
95.04959	6.7
96.04477	17.0
96.08096	1.8
97.02876	6.3
97.96719	0.9
98.06022	3.2
98.09673	1.9
98.97559	7.4
99.02677	1.0
99.04458	1.5
100.07588	3.6
102.05503	1.6
103.03913	1.1
105.07011	2.1
106.06530	1.8
107.04948	2.0
108.08086	2.6
109.02864	1.8
109.06475	2.3
110.06023	45.7
110.07173	2.9
111.04410	4.6
111.06302	1.7
112.07603	2.1
112.08681	1.0
113.05997	1.2
114.05495	1.0
114.10243	1.0
115.03904	1.6
116.98582	3.7
117.03358	3.9
117.07017	1.0
119.01885	6.2
119.04931	9.2
119.08521	1.8
120.05228	1.3
120.08109	1.7
121.02877	1.8
121.06513	2.0
122.05989	2.9
122.07072	1.8
123.04382	5.4
123.08063	1.2
124.07577	6.9
126.05482	3.1
126.09103	1.3
127.03902	4.3
128.07069	5.8
128.98567	1.5
129.05452	1.1
129.10229	8.3
130.04968	2.0
130.06516	2.1
130.08621	28.2
130.10606	0.9
131.01892	2.2
131.07074	1.3
134.05980	1.6
134.99648	2.7
135.04372	1.7
135.07994	1.6
136.06255	2.5
136.07555	80.6
137.05925	3.2
137.07889	2.4
138.05482	37.4
139.03896	2.5
140.07036	4.1
143.00220	1.2
143.01823	2.9
143.08121	2.1
145.01755	1.4
145.02882	3.7
145.04948	1.8
145.06450	1.3
146.08093	3.4
147.04381	22.1
147.08420	1.6
148.04765	1.5
149.02832	1.1
149.05981	1.5
149.07097	1.6
149.57121	0.9
150.05476	8.7
152.07016	4.7
154.08601	100.0
155.01855	2.1
155.07014	2.3
155.08891	2.2
156.06523	24.0
158.07962	1.0
158.99559	1.8
159.05037	2.1
159.11664	3.0
160.07477	1.3
161.01167	1.2
161.02919	2.6
161.05957	1.4
162.02107	1.4
162.07819	1.1
163.03856	2.7
164.07028	1.6
165.05409	2.2
165.10101	1.0
171.04962	2.5
172.05208	1.0
173.02960	2.2
176.07176	1.7
177.00706	1.9
177.05316	8.3
177.06770	2.0
182.08026	1.7
183.07961	1.4
186.09114	3.3
188.07301	3.3
189.00688	2.2
189.02325	1.3
189.06001	1.6
190.08675	1.3
190.12296	1.1
197.06564	8.5
197.56694	3.1
198.09077	1.3
200.10703	2.7
202.08574	1.5
203.03886	1.7
203.07826	1.5
204.10127	1.8
205.03629	1.0
205.05435	2.0
209.10634	1.5
210.09102	1.2
211.07375	2.6
214.05981	1.1
214.10983	1.4
214.55983	1.1
215.07968	2.4
217.08557	1.0
218.08047	1.7
218.11647	1.1
219.03423	1.2
219.07838	2.9
219.58069	1.4
221.03023	2.0
221.04971	3.1
223.70241	0.9
227.11667	1.5
228.10126	3.6
229.09773	1.6
231.11273	1.1
232.09755	1.4
234.06540	1.1
237.02773	2.5
238.14279	1.4
242.10527	1.7
243.11224	4.2
244.09602	1.5
245.12747	1.4
246.11183	5.6
247.10022	1.0
249.12323	3.6
250.10672	2.1
255.11180	3.9
256.09509	1.4
257.08124	1.0
260.11600	1.9
261.08331	1.7
261.12317	1.8
262.10669	2.0
263.13885	2.1
267.00229	2.4
269.05423	2.4
273.09094	1.7
273.12289	9.7
274.10684	7.4
275.09448	1.4
279.09210	3.4
280.09470	1.4
281.14954	1.2
285.01279	1.2
291.13293	8.3
292.11746	13.4
293.10867	2.5
309.02585	1.8
309.11044	4.2
309.14380	61.5
309.26486	1.0
310.08194	3.5
310.14569	2.4
310.17810	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	309.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.9
55.01859	2.6
55.05493	2.5
57.03411	4.4
61.02895	1.6
67.05485	8.8
68.05007	1.3
69.03410	3.1
69.07046	4.3
70.06586	6.2
71.04981	1.5
71.53844	1.9
72.08145	2.6
73.02897	3.7
75.04446	1.0
76.02208	1.8
79.05467	2.7
81.03388	4.9
81.07022	2.4
82.06549	7.0
83.04944	1.6
84.04493	3.6
84.08121	5.6
85.02896	5.8
85.04810	1.2
86.09684	5.4
87.10001	1.1
88.03989	1.7
89.03899	2.3
91.05448	9.4
91.79648	1.1
93.03387	5.1
93.07025	3.6
95.04964	6.4
95.92035	1.2
96.04483	14.7
96.08170	1.4
97.02884	1.8
98.06012	1.3
101.02348	2.3
102.05532	1.2
103.03922	6.0
103.05437	2.5
105.07007	3.0
107.04949	2.0
108.08086	1.9
109.02850	3.3
109.06519	1.9
110.06020	36.6
111.04422	3.2
112.07630	1.2
115.05442	6.2
117.03342	5.1
117.07001	2.8
119.04893	4.3
119.08563	7.8
120.08110	3.1
121.02814	2.5
121.06453	1.5
122.06030	1.7
123.04366	1.7
124.07536	7.3
126.05454	1.7
127.03819	2.0
127.05370	1.3
128.06157	2.1
128.07047	3.1
129.06940	4.2
129.10194	2.7
130.06422	1.2
131.04919	4.5
134.03612	1.8
135.04364	3.6
135.07990	1.2
136.07544	63.9
137.05939	4.3
137.07962	1.6
138.04434	1.9
138.05469	25.6
138.38524	1.2
139.05507	1.2
140.07022	4.0
141.05434	2.3
141.06940	2.8
143.04912	8.4
145.02780	11.0
145.06454	3.3
146.03569	1.3
147.04399	11.7
147.08002	3.3
149.05945	21.9
150.05458	1.6
151.03888	1.2
152.07005	5.8
153.05441	1.8
154.08597	89.1
155.08859	2.1
156.06526	20.1
157.06493	3.2
158.09650	1.2
159.04488	1.6
159.07906	1.4
160.05157	3.9
161.05943	11.4
162.03131	2.2
163.03871	9.7
163.07544	3.0
165.08965	1.3
169.06470	4.3
171.04379	4.6
173.05965	1.5
175.03908	8.3
175.07491	18.4
176.04634	2.3
177.05435	100.0
178.05779	4.2
179.05315	1.2
179.06908	1.5
184.05069	1.7
185.05888	3.9
187.07472	4.0
188.04654	1.8
188.09402	3.2
189.05391	3.9
190.06148	1.4
190.08627	1.9
191.07022	9.8
193.04958	3.6
195.06383	1.3
199.07454	1.4
200.04756	1.4
200.10706	2.8
201.05428	4.1
201.09070	2.3
203.06956	15.8
205.04932	2.2
205.08603	1.4
207.06485	37.4
208.02820	6.7
208.06735	2.6
212.04582	3.0
213.05391	3.8
215.06976	3.8
216.06511	1.5
217.05003	2.5
217.06856	4.9
217.08580	3.3
217.13310	2.7
218.08066	2.8
218.11696	1.7
219.06470	7.3
221.08029	3.0
227.06895	6.8
227.11710	2.1
228.10344	2.6
229.08607	3.5
231.06450	12.7
231.11203	2.5
241.05049	1.2
245.08035	10.2
245.10243	1.2
245.10670	1.4
245.12802	10.0
246.11105	6.3
247.05951	2.0
249.07417	9.2
249.12218	2.3
255.11124	3.1
256.09659	1.6
260.11496	1.7
263.09088	4.3
263.13684	1.8
264.12231	1.4
273.07544	11.1
273.12222	6.9
274.10715	8.4
291.08685	6.2
291.13354	11.7
292.11716	23.4
309.09598	23.7
309.14359	79.5
310.14615	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	309.0962
Annotation	Allamandicin
Peak:m/z	Relative Intensity
55.01864	3.9
55.05493	1.3
56.05013	0.7
57.03430	3.8
59.04942	0.7
61.02898	2.3
67.05481	2.0
69.03393	2.5
69.07049	1.0
70.06567	3.5
70.20903	3.2
72.08123	2.8
73.02911	5.5
76.02211	1.0
79.05444	1.5
81.03375	2.6
82.06559	1.4
84.04478	2.9
84.08102	3.6
85.02879	5.6
86.06054	1.2
86.09689	4.7
89.03893	1.3
91.05457	7.6
93.07017	2.7
95.04943	0.8
98.09674	1.5
100.07545	0.9
100.11205	0.8
101.02354	2.1
103.03938	6.2
103.05432	2.9
105.06992	1.5
107.04913	1.6
107.08546	0.9
109.02882	1.3
110.06001	1.6
111.04404	1.3
115.05418	7.3
116.77169	0.7
117.03342	3.1
117.06960	3.5
119.04912	4.1
119.08552	6.6
120.08070	1.2
121.06445	1.3
123.04379	1.0
125.05978	1.0
127.03880	0.7
128.06229	1.5
128.07097	1.2
129.06973	4.5
129.10214	1.4
130.04938	0.9
131.04897	5.8
133.06470	0.9
133.10054	0.7
135.04407	1.3
135.08009	0.9
136.07512	1.8
137.05946	3.7
141.06953	2.1
143.04900	10.9
144.85146	0.8
145.02827	5.1
145.06418	2.5
146.03607	1.4
147.04385	9.5
147.08060	3.4
149.05948	22.7
151.03854	2.0
152.07033	1.0
153.05431	1.7
154.08609	2.5
157.06413	4.2
159.04361	2.7
160.05168	5.7
161.05946	14.2
162.03169	3.5
163.03868	5.6
163.07501	2.7
169.06435	2.6
171.04343	5.4
173.06032	1.3
174.06679	1.3
175.03873	10.8
175.07501	23.4
176.04622	4.2
176.07803	1.0
177.05429	100.0
178.05861	2.8
179.04829	0.6
179.05533	0.7
179.06987	2.8
179.11778	3.2
180.12503	1.6
183.45279	0.7
184.05165	1.7
185.05931	5.6
187.03850	0.9
187.07483	3.0
188.04671	1.4
189.05409	6.8
189.09070	2.7
190.06117	2.1
191.03381	1.4
191.06981	11.2
192.04185	0.8
193.04916	4.5
195.04425	0.9
195.06541	2.1
197.05949	1.5
199.07500	1.4
201.05412	4.2
201.09071	1.7
203.06989	24.2
204.07477	1.0
205.04958	4.0
205.08589	3.0
207.06488	40.8
208.02884	7.9
208.06694	1.1
209.10609	0.7
212.04662	1.3
213.05421	2.9
214.06229	1.4
215.06995	2.7
216.04234	0.8
217.04915	2.4
217.06808	1.5
217.08572	4.9
217.13356	0.9
219.06453	7.1
221.08012	3.7
227.06880	7.0
228.07346	1.0
229.04948	1.4
229.08438	4.0
231.06461	14.5
231.11200	0.9
232.06793	0.9
233.08128	1.2
241.04900	1.0
245.08038	16.4
245.12746	1.6
247.05855	2.3
249.07497	10.5
249.12195	1.5
255.11061	0.9
261.07608	1.8
263.09186	5.3
265.04956	1.0
273.07492	11.8
273.12283	1.9
274.10519	1.0
291.08517	8.4
291.13464	4.0
291.16306	0.9
309.09610	33.2
309.14316	10.0
309.17761	1.4
309.21362	1.3
310.10117	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.5
55.01862	3.6
55.02087	0.8
55.05500	1.2
56.04978	0.7
56.87442	0.7
57.03419	3.0
61.02898	3.0
65.03930	1.3
67.05500	3.6
68.13020	0.7
69.03397	2.8
69.07036	1.5
70.06566	3.2
70.59541	1.8
70.59895	1.3
72.08132	2.1
73.02902	4.0
76.94418	0.7
79.05464	1.4
81.03381	2.0
81.07047	1.2
82.06559	2.9
83.04957	1.4
84.04476	1.9
84.08110	3.3
85.02888	5.3
86.09680	2.3
89.03895	1.8
91.05472	3.6
93.03365	1.5
93.07014	2.3
94.06529	0.7
95.04941	2.9
96.04477	6.0
97.02856	1.3
98.09697	1.0
101.02344	2.9
103.03912	6.3
103.05453	3.8
105.07021	2.4
107.04926	1.3
107.08512	0.8
108.08115	1.1
109.02885	1.0
109.06492	0.8
110.06014	15.0
111.04414	1.7
113.05899	0.9
114.54523	0.7
115.05433	7.2
117.03355	4.1
117.06991	2.7
119.04913	2.7
119.08537	4.3
120.08061	1.7
121.02834	0.9
121.06464	0.8
121.10129	0.8
122.06018	0.9
124.07565	2.8
125.05962	1.2
128.06157	0.9
129.06996	3.6
129.10182	1.3
130.06487	1.0
131.04897	5.4
133.02765	1.1
133.06451	1.0
134.03569	1.1
136.07556	27.2
137.05951	4.4
138.05466	10.2
140.07028	2.2
141.05498	0.8
141.06937	2.3
143.04889	7.3
145.02798	5.7
145.04936	2.6
145.06412	2.2
146.03587	1.9
146.05989	0.8
147.04391	9.2
147.07988	3.5
149.05948	21.5
150.05420	1.3
151.03870	1.8
152.07019	3.1
153.05392	1.5
154.05023	0.8
154.08601	38.0
156.06537	7.1
157.06485	3.1
159.04373	1.5
160.05171	4.7
161.05963	11.8
162.03091	4.0
163.03873	3.2
163.07506	3.1
167.98915	0.7
169.06474	2.1
171.04385	7.8
174.06773	1.3
175.03914	8.6
175.07495	20.9
176.04662	3.3
177.05438	100.0
178.05840	2.9
179.06958	2.2
183.04453	1.1
184.05144	1.2
185.05940	3.4
186.09079	1.0
187.07507	3.1
188.04604	1.3
188.09380	1.8
189.05452	6.2
189.09132	1.5
190.06142	1.3
191.07007	11.6
192.04085	1.3
193.04961	4.5
195.87085	0.8
197.05922	1.0
199.03827	1.2
199.07533	1.7
200.10605	1.0
201.05424	2.7
201.09064	1.7
203.06976	20.7
205.04971	4.4
205.08549	2.3
206.05672	0.9
207.06485	46.6
208.02869	7.4
208.06740	1.1
211.04042	0.9
212.04669	2.1
213.05347	3.5
214.06165	1.1
215.06929	2.1
216.04147	1.1
217.04893	1.8
217.06810	1.7
217.08609	3.5
217.13316	2.1
219.06485	7.2
221.07948	4.6
227.06961	6.4
228.10263	1.5
229.04906	1.1
229.08511	4.2
231.06476	14.8
241.05008	0.9
243.06441	1.1
245.08060	11.1
245.12788	6.3
246.11232	2.7
247.05939	3.1
249.07518	12.7
261.07578	1.9
263.09262	4.8
263.13763	2.3
273.07584	11.7
273.12320	2.7
274.10681	2.8
291.08618	6.7
291.13370	4.4
292.11694	9.8
309.09647	34.8
309.14365	37.7
328.43134	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01843	0.4
55.05502	5.6
56.05001	0.2
57.07065	3.3
58.06561	0.1
58.07389	0.3
67.05501	1.1
69.07055	5.7
69.88580	0.4
69.89003	0.4
70.06580	0.2
71.08624	0.7
72.04496	0.3
76.02202	0.3
79.05471	0.5
81.07038	1.3
82.06540	0.2
83.08138	0.2
83.08596	2.2
83.73347	0.1
84.04487	0.2
85.05263	1.1
85.10146	0.3
86.06049	1.0
91.05440	0.3
93.07029	0.8
95.04964	0.1
95.08585	1.1
96.08092	0.4
97.06488	0.2
97.10130	0.8
98.06033	9.6
98.09655	0.2
98.20840	0.2
98.21397	0.2
99.06852	0.3
103.10728	0.1
106.06528	0.9
107.06877	0.2
107.08553	0.3
109.10126	0.4
110.09641	0.3
112.07569	1.4
116.01658	0.2
118.04859	0.5
121.10094	0.4
123.11640	0.2
124.11221	0.2
126.09110	0.5
127.71093	0.1
135.11681	0.2
140.10692	0.3
140.38380	0.1
146.12239	0.1
152.14163	0.1
154.12233	0.3
155.18384	0.1
156.16855	0.1
166.15825	0.1
168.13846	0.2
177.58556	0.1
179.04810	0.2
184.27563	0.1
190.14575	0.2
196.16989	0.2
202.10974	0.2
203.09947	0.6
238.21513	0.2
255.20190	0.1
308.29398	100.0
309.29767	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	308.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26295	0.4
53.03930	0.8
54.03462	0.4
55.01843	1.2
55.05498	8.2
56.05021	0.6
57.03416	2.7
58.99576	0.4
61.02903	1.3
67.05477	0.4
69.03411	4.9
69.07047	0.6
70.06577	16.0
71.01346	1.1
71.04958	1.2
73.02894	1.5
76.02216	3.8
81.03400	0.8
81.07024	0.5
82.06561	12.5
84.04490	2.2
84.08119	8.3
85.02416	0.8
85.02891	10.2
87.04454	0.6
91.03939	0.5
91.05419	0.5
95.05029	0.5
97.02882	2.7
98.97544	0.8
99.04408	0.6
100.03950	0.5
100.07594	37.7
102.16871	0.4
103.03907	0.6
105.06998	0.6
109.02867	0.8
110.06017	17.1
111.15107	0.4
115.03824	0.5
116.98535	0.5
125.09602	2.0
127.03896	1.1
128.07050	25.1
130.04988	1.1
130.06502	1.2
130.08597	3.4
131.06844	1.3
136.07571	0.6
139.03818	0.7
145.04912	1.1
146.08089	100.0
147.04402	1.4
147.08409	1.1
151.11128	5.3
154.08597	1.2
157.07616	0.8
158.05959	1.1
158.07928	1.7
159.06346	2.3
162.02174	1.2
163.03920	0.9
176.09045	0.7
176.96922	0.9
177.05463	1.0
179.04787	2.5
201.09384	1.0
216.06528	0.8
243.00752	0.5
256.60968	0.4
262.09009	0.8
266.09256	0.4
267.00012	0.6
285.01144	0.6
290.08328	0.6
308.13116	3.5
309.14395	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2212
Annotation	Dihydrocapsaicin
Peak:m/z	Relative Intensity
53.00292	0.2
55.05490	0.4
57.07053	0.6
58.02938	0.3
62.67754	0.2
67.05482	0.6
69.07053	0.9
70.04036	0.2
70.23338	0.6
71.04990	0.2
71.08605	0.5
76.02199	0.4
79.05490	0.4
80.97517	0.1
81.06641	0.2
81.07043	2.1
83.08617	0.3
84.04488	0.4
85.02871	0.2
85.10154	0.2
91.05466	0.7
93.07038	0.3
94.04169	1.7
95.04948	0.2
95.08615	1.1
100.07542	0.2
107.04913	0.6
107.08533	0.3
109.06495	0.7
109.10149	0.3
114.09097	0.2
122.03627	6.0
123.02404	0.3
123.03976	0.2
128.10648	0.3
137.05951	100.0
137.13235	0.6
138.06287	3.2
153.12715	0.2
155.14314	0.3
162.02077	0.2
165.12704	0.4
168.25322	0.2
172.16920	1.5
179.04828	0.4
184.16928	3.3
205.17622	0.2
230.87646	0.1
238.63091	0.2
274.63992	0.2
291.19907	0.3
291.23172	0.9
308.09311	0.2
308.22421	0.7
308.25937	0.6
329.80157	0.2
334.17609	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.0759
Annotation	Narciclasine
Peak:m/z	Relative Intensity
56.05024	0.9
57.03416	0.9
58.87509	0.5
58.99567	1.5
60.04523	0.6
69.03407	0.5
69.07063	0.7
69.23800	3.4
69.24214	1.1
70.06576	3.9
72.08149	2.3
76.02219	10.7
76.03979	0.8
77.03915	1.1
79.05486	1.0
81.03423	0.7
81.07042	0.7
84.04490	10.9
84.08144	2.6
85.02892	9.6
86.09698	3.9
88.02186	0.5
91.05477	0.8
95.04944	0.6
95.06094	0.4
95.08585	0.4
100.07578	0.7
102.05527	1.4
105.03374	3.7
105.07001	0.6
107.04906	0.6
107.08595	0.9
108.04448	2.1
110.07159	0.5
113.02366	0.7
115.05424	0.6
116.01648	2.3
116.07080	0.6
119.04872	0.7
120.08090	2.4
123.04404	1.3
124.02259	0.6
124.07568	0.7
127.03852	0.7
129.10185	1.4
130.04980	7.1
130.06477	2.3
131.06845	0.5
132.04445	1.1
132.08067	0.6
133.02831	11.4
133.06349	0.5
135.04407	0.5
142.03175	1.4
142.06497	1.7
144.01132	1.4
145.79520	0.5
146.05998	2.6
147.04378	3.1
148.04808	0.5
148.07549	0.8
149.05960	0.5
150.03085	0.5
150.05464	1.3
151.03847	1.2
158.06015	1.8
160.07538	1.8
161.02335	1.6
162.02153	5.2
164.07109	0.7
170.05975	5.8
173.12788	1.2
174.05458	0.5
176.07043	3.8
177.05450	1.4
178.04968	15.9
179.03337	2.2
179.04858	6.1
188.07025	4.1
189.05463	0.6
190.04997	1.4
191.11790	0.6
198.05516	2.4
204.06580	0.7
207.06477	0.8
216.06526	100.0
217.06808	2.1
218.08089	0.7
222.07674	0.9
233.05891	2.0
244.06026	14.7
245.06258	0.5
262.07086	24.1
289.43860	0.5
290.06549	30.6
291.06796	1.0
307.00522	0.4
308.07581	94.8
309.07727	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	307.2626
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03919	2.3
55.01862	1.9
55.05502	21.7
57.03418	1.3
57.07066	9.1
59.04978	1.9
65.03902	1.9
65.87569	1.2
67.03605	0.9
67.05171	1.6
67.05492	19.0
69.03390	5.3
69.07056	70.9
70.83271	2.8
71.04995	7.0
71.08606	2.8
73.68618	1.2
76.02230	1.6
79.05475	15.6
81.07041	100.0
83.04950	5.0
83.08605	17.0
85.02892	1.8
85.06540	9.9
91.05467	9.7
93.07027	44.6
95.04980	7.0
95.08590	63.5
97.06509	8.8
97.10166	5.4
99.08064	2.2
101.05997	1.5
103.03889	1.8
105.07011	47.5
107.08573	32.1
109.06509	8.7
109.10133	29.7
111.08067	11.2
111.11700	16.5
117.07032	1.2
119.08558	17.2
121.06506	2.0
121.10122	46.0
122.10415	1.4
123.08028	2.6
123.11684	42.6
125.09586	3.9
127.03889	2.6
131.08546	1.9
133.10132	6.1
135.11665	14.5
137.09608	2.1
137.13220	10.2
139.11168	17.5
145.10085	3.6
145.29436	1.1
147.11658	31.3
148.32814	1.2
149.13229	14.9
151.11154	8.0
151.14783	2.6
153.12688	10.8
158.52478	1.5
159.11662	4.1
161.13229	4.6
163.11145	1.8
163.14771	6.1
165.12721	44.7
167.14267	5.1
167.40234	1.0
171.36786	1.2
173.13263	1.8
175.14772	4.2
177.12794	1.2
177.16335	4.0
179.14285	1.5
183.13765	3.8
187.14783	4.4
189.16400	2.3
189.75067	1.2
189.98174	1.1
191.17891	1.6
193.15773	1.6
203.17870	2.3
215.17903	3.1
238.51331	1.2
245.22621	4.2
250.55376	1.2
271.24319	5.9
277.25198	5.3
289.25177	29.6
290.25629	2.0
301.70218	1.4
307.09802	1.6
307.26254	60.9
308.26602	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	307.2625
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03933	1.6
55.01854	2.1
55.05499	21.6
57.03415	4.7
57.07069	9.1
59.04976	4.1
65.03926	1.6
67.05491	23.3
67.06406	0.9
68.76708	1.0
69.03418	7.9
69.07053	73.9
69.19933	9.3
69.20335	2.2
70.06586	1.9
71.04973	6.6
71.08605	3.8
72.08133	1.0
73.02922	1.2
73.06506	1.1
76.02214	5.4
77.09770	1.0
79.05471	15.8
81.03393	3.5
81.07038	100.0
82.07373	1.9
83.04958	5.8
83.08597	17.9
84.04484	3.1
84.08122	2.1
85.02881	4.0
85.06523	11.1
91.05467	10.5
93.07023	42.7
95.04948	10.2
95.08585	63.4
96.08920	1.4
97.06509	10.3
97.10165	8.0
98.20746	1.4
99.04424	2.8
99.08095	1.9
103.03912	3.5
105.07012	45.0
106.07350	1.4
107.04934	1.4
107.08568	35.2
109.02855	2.8
109.06480	10.6
109.10137	36.1
110.10509	1.1
111.08060	15.4
111.11700	13.2
113.06036	1.1
113.09645	1.2
115.07536	1.4
117.06990	2.9
119.08552	21.9
120.80530	0.9
121.06499	1.4
121.10117	43.4
123.08042	4.5
123.11681	42.6
123.12453	1.0
125.05950	0.9
125.09612	3.6
125.13236	2.5
127.03878	4.0
131.08566	2.4
132.04379	1.2
133.10083	11.9
135.08087	1.6
135.11661	14.2
136.06189	1.4
137.05916	1.7
137.09583	5.2
137.13239	12.3
139.11145	15.1
145.10088	6.7
147.11655	26.7
149.09575	2.1
149.13213	14.2
151.11172	9.3
151.14711	1.2
153.12721	9.0
157.07574	1.7
158.05962	1.9
159.11653	5.5
161.09659	1.3
161.13290	4.9
163.11125	2.7
163.14841	4.7
165.12712	38.4
166.13057	1.2
167.14270	4.6
169.12199	2.9
173.13240	3.4
175.07362	1.2
175.08688	1.4
175.14752	4.6
177.12663	1.5
177.16348	3.1
179.04871	2.4
179.14287	1.5
183.13776	2.9
187.11096	1.4
187.14796	3.3
189.16351	2.7
191.10555	1.1
191.14333	1.4
191.17928	2.6
192.89958	1.2
193.15892	1.0
201.16284	2.7
203.17862	2.9
209.19049	1.4
215.17889	2.5
221.18936	1.0
229.14214	2.0
229.19400	1.6
231.21138	1.2
245.22646	2.1
259.24014	1.4
264.07684	1.7
271.24203	6.6
277.25266	3.3
288.11826	1.2
289.17963	1.7
289.25189	26.0
292.07373	1.3
307.09235	4.8
307.15634	2.4
307.19058	3.2
307.26251	74.4
308.26654	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	307.2627
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03947	2.6
53.84684	1.1
55.01855	2.2
55.05499	21.2
57.03426	2.4
57.07063	10.8
59.04982	1.7
65.03915	1.5
67.05495	24.1
69.03426	7.2
69.07059	71.9
70.82925	1.9
70.83237	1.4
71.04987	7.8
71.08615	2.3
72.93903	1.4
79.05054	1.8
79.05479	15.5
81.03416	3.0
81.07043	100.0
82.07391	1.2
83.04961	4.7
83.08606	17.9
85.02922	2.6
85.06541	9.1
91.05482	9.3
93.07030	42.1
95.04968	6.1
95.08592	65.1
97.06506	9.3
97.10125	6.3
99.04440	1.9
99.08067	3.5
101.06024	1.4
103.03902	1.8
105.07021	44.8
107.07872	2.4
107.08581	35.3
109.02880	1.4
109.06519	7.6
109.10140	35.2
111.08078	10.2
111.11697	16.3
119.08558	20.1
121.10130	44.6
123.08057	3.8
123.11683	43.1
124.12016	1.5
124.67474	1.4
125.09588	5.7
125.13236	2.2
127.03907	1.6
131.08539	2.5
132.10040	1.2
133.10081	7.4
135.11659	13.0
137.09579	2.8
137.13231	9.7
139.11150	19.8
145.04878	1.6
145.10141	5.1
147.11671	30.1
149.09657	1.6
149.13239	18.0
151.07414	1.4
151.11127	9.1
153.12709	13.2
159.11662	3.1
161.13260	4.6
162.02202	1.5
163.11162	2.5
163.14804	5.7
165.12732	47.4
166.13113	2.0
167.14250	7.3
173.13240	3.0
175.14778	4.9
177.12801	1.5
177.16379	3.4
179.14259	1.4
183.13763	4.3
187.14827	3.4
189.16327	3.9
193.15805	1.7
200.52501	1.2
201.16350	3.0
203.17906	2.7
207.17424	1.4
209.18835	1.8
215.17863	1.5
245.22598	4.6
271.24127	8.5
277.25180	4.7
289.25241	32.4
290.25525	2.1
307.09637	1.5
307.26263	68.9
308.26672	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2263
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03947	3.4
55.01857	8.9
55.05503	27.0
57.03432	4.1
57.07071	3.0
65.03928	2.9
67.05496	64.5
69.03403	2.6
69.07053	28.3
71.04970	3.0
71.08612	2.4
71.52893	4.7
76.02221	6.4
77.99266	2.9
79.05484	45.5
81.03389	5.8
81.07044	92.2
83.04960	12.2
83.05414	2.9
83.08621	12.8
84.04488	3.6
84.08138	2.8
85.06547	4.4
91.05460	46.6
93.07033	45.9
95.04950	28.0
95.08588	44.5
97.06507	15.4
97.10149	6.4
99.04389	2.5
105.07016	49.3
107.04929	8.4
107.08582	31.5
109.06498	21.9
109.10148	32.4
111.08049	4.0
117.06996	16.6
119.08577	50.7
121.02850	4.5
121.06493	7.0
121.10108	24.7
123.08047	14.3
123.11703	13.1
125.09623	5.9
129.07043	4.4
130.06470	3.5
131.08525	18.7
133.10114	41.2
135.08022	9.6
135.11659	13.4
137.05974	13.1
137.09549	13.4
138.06242	6.8
143.08549	5.8
145.10091	21.6
147.08058	3.0
147.11659	19.6
149.09544	14.0
149.13199	4.4
151.11159	12.7
157.07614	3.0
157.10106	5.4
159.11685	10.6
161.13295	4.0
163.11151	10.5
165.12750	8.7
171.11707	4.1
173.13228	10.6
175.11171	7.5
177.12706	4.3
179.04913	3.7
183.11665	5.8
185.13167	2.9
187.11195	3.0
187.14740	3.3
197.13312	4.5
201.12761	3.2
229.19458	5.5
235.74240	2.7
239.17906	7.0
247.20486	12.0
251.16420	4.2
257.19022	12.9
275.20016	100.0
276.20401	9.5
289.21555	11.9
307.09711	3.0
307.22693	52.8
307.28189	7.7
308.22910	4.5
310.35196	2.8
317.76218	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	307.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.4
55.01864	3.2
55.05501	11.0
56.05828	1.1
57.03410	1.2
57.07061	1.1
59.04987	0.6
61.77635	0.6
61.77957	0.5
64.37315	0.5
65.03928	0.6
67.05495	15.9
68.05811	2.0
69.03423	0.9
69.07059	11.8
69.74216	0.5
70.07407	0.9
70.89450	0.5
71.04965	4.5
71.08602	0.6
71.53966	0.8
73.06579	0.5
75.53566	0.7
76.02209	1.5
79.05055	0.9
79.05482	11.7
81.03393	1.2
81.07040	18.4
82.07365	1.7
83.04949	1.7
83.08602	3.8
84.04501	1.1
84.08947	0.9
85.05256	1.1
85.06518	1.4
85.14967	0.6
86.06071	0.6
91.05467	7.7
92.05796	0.6
93.07027	9.1
93.67699	0.5
94.07333	0.7
95.04955	3.5
95.08591	12.1
96.08902	1.1
97.06501	5.9
97.10146	3.0
98.06038	7.5
99.04461	0.6
99.06343	3.3
99.08058	1.4
105.07021	8.3
107.04942	2.5
107.08578	14.6
109.05787	1.0
109.06499	16.1
109.07243	0.9
109.10151	4.0
110.10452	0.6
111.04424	9.2
111.08032	1.2
112.07554	0.8
117.07019	1.6
119.08566	6.7
121.02837	0.9
121.06481	2.2
121.10131	4.1
123.08043	3.3
123.11652	1.9
125.06006	0.7
125.09605	4.3
129.06973	1.2
131.08568	3.4
133.10136	5.5
135.08012	1.5
135.11641	2.7
137.05952	2.7
137.09607	2.0
138.06296	1.8
139.11151	0.6
145.10107	4.2
147.11665	3.3
149.09593	3.7
149.13202	1.2
151.11180	1.5
153.09070	0.6
155.08490	0.7
155.14326	0.6
157.10072	0.8
159.11679	2.3
161.13208	1.6
163.11162	1.9
163.14766	0.6
165.12738	5.2
171.11642	1.3
173.13228	1.3
177.12685	1.2
183.11609	0.6
187.11113	0.5
187.14737	0.6
189.16190	0.6
201.12717	0.6
203.12683	3.2
215.18195	0.6
233.15359	0.8
239.17900	1.2
247.20575	1.1
251.16357	2.8
257.18976	2.6
275.20001	16.2
276.20428	1.2
289.21622	3.9
297.68802	0.6
307.22766	37.6
307.28183	100.0
308.22995	1.8
308.28494	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.226
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
51.02350	0.6
53.03931	3.2
55.01854	3.7
55.05502	9.6
56.10311	0.5
57.03417	1.9
57.07053	0.9
59.04941	0.7
60.89730	0.6
65.03930	1.3
67.05493	23.7
67.25243	0.6
69.07053	8.5
69.81852	4.1
71.04971	2.3
79.05477	32.7
81.03394	3.9
81.07039	100.0
82.07363	1.7
83.04953	4.1
83.08602	8.0
84.04466	0.8
85.06513	2.2
91.05463	16.2
93.07024	15.8
95.04949	8.9
95.08590	13.7
97.06515	5.3
97.10130	1.7
99.08062	1.9
101.05997	0.8
101.83654	0.6
105.07007	17.4
106.07355	0.7
107.04939	6.1
107.08569	11.5
109.06495	51.9
109.10137	6.3
110.06814	1.2
111.08075	2.3
115.05472	0.9
117.06977	3.4
119.08556	12.3
121.06487	3.5
121.10107	10.3
123.08032	6.0
123.11679	2.5
125.09562	0.9
129.06998	1.6
131.08557	6.5
133.06447	1.0
133.10104	14.1
135.08014	2.4
135.11655	4.3
137.05927	1.3
137.09601	2.9
138.06279	1.0
145.10091	7.2
147.08031	1.1
147.11658	13.1
149.09608	4.8
149.13235	6.9
151.11171	3.4
157.10115	2.7
159.08160	0.8
159.11639	5.1
160.73291	0.9
161.09634	1.0
161.13223	2.6
163.11131	6.4
163.14790	2.8
165.12740	5.2
165.26451	0.7
169.10117	1.1
171.11630	1.8
173.09721	1.4
173.13210	3.9
175.11139	2.2
175.14915	0.8
177.12735	2.6
179.14299	1.1
183.11653	1.1
186.28149	0.6
187.11095	0.9
187.14780	1.3
191.14313	1.5
193.12228	3.9
197.13182	0.8
201.12724	0.9
205.15793	1.1
207.13760	1.3
211.13257	0.8
219.13667	0.9
229.19411	3.1
233.15411	0.9
239.17896	2.0
247.20560	6.0
257.18942	5.7
275.20001	59.2
276.20361	4.8
289.21545	1.2
303.31000	0.6
307.22632	25.1
308.22940	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21644	4.5
55.01854	13.9
55.05500	36.3
57.03437	31.0
57.07055	5.5
62.22921	3.9
67.05486	41.9
69.03415	21.4
69.07045	11.3
71.04964	5.0
71.52396	6.0
76.02206	15.1
78.04257	3.8
79.05482	39.9
81.03394	10.2
81.07042	34.0
83.04963	14.2
83.08607	20.1
84.04498	5.8
85.02905	8.9
85.06519	4.9
87.04436	4.8
91.04983	4.5
91.05433	25.4
93.07034	24.7
95.04948	17.3
95.08601	17.5
97.10147	32.5
101.96684	5.1
105.07037	24.2
107.04937	17.5
107.08563	23.7
109.06509	16.7
109.10128	18.4
111.04443	8.6
112.31393	4.3
117.07014	12.0
119.08534	22.8
119.63920	4.7
121.02860	9.6
121.06449	12.8
121.10114	10.1
125.09589	21.3
129.06940	5.3
130.06534	9.4
131.04883	4.5
131.08548	14.0
133.06433	22.7
133.10091	13.3
135.08012	25.4
137.09576	7.1
143.08588	5.8
145.10161	11.9
147.07994	10.9
147.11804	5.4
149.06140	4.6
153.09088	6.6
157.07684	9.4
158.05977	7.5
159.08034	60.1
159.11595	5.3
161.05962	83.5
161.09601	6.4
162.06361	5.9
163.07521	8.6
169.10118	6.9
171.11699	7.4
179.04768	6.0
185.09564	9.8
187.14754	6.0
189.11227	15.4
193.10387	4.2
207.11514	5.1
215.14261	11.7
233.15311	27.2
243.17465	5.9
251.14238	5.7
253.15865	12.8
261.08710	6.6
271.16901	37.2
289.17914	100.0
307.12030	9.8
307.20435	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	307.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.4
54.03231	1.4
55.01865	11.1
55.05502	29.7
57.03423	19.7
57.07062	3.5
58.99583	1.5
59.04980	3.9
67.05492	26.8
69.03409	11.5
69.07053	29.5
69.52240	12.6
70.06576	3.0
71.04977	5.7
76.02213	8.5
79.05484	35.6
81.03397	15.8
81.07037	35.7
83.04970	9.3
83.08597	19.1
84.04481	5.6
84.08104	3.5
85.02890	4.4
85.06506	5.1
91.05454	26.7
93.07021	27.3
95.04952	21.2
95.08585	29.6
97.02918	1.9
97.06513	97.3
97.10157	22.5
97.37280	1.4
98.21489	2.8
99.08091	2.2
103.03932	1.7
103.05459	7.4
105.07010	18.3
107.04932	11.3
107.08569	21.7
109.02831	2.6
109.06493	21.0
109.10139	17.2
111.04424	2.6
111.08037	5.7
111.11710	1.9
113.05980	1.9
113.09626	1.7
115.05424	2.1
117.07008	7.9
119.08557	15.3
121.06479	100.0
121.10107	11.3
123.04365	2.1
123.08052	8.0
123.11669	9.2
125.06017	2.3
125.09602	11.0
127.03893	3.0
128.06190	3.0
129.06987	5.5
130.04982	1.6
130.06526	3.3
131.04890	21.4
131.08522	9.8
133.06427	7.0
133.10065	9.3
135.07999	12.9
135.11665	6.1
137.05960	2.0
137.09601	8.2
137.13248	3.1
139.11203	1.8
141.06976	1.8
143.08522	3.6
145.06454	2.5
145.10069	6.2
147.07996	9.5
147.11674	6.6
149.09613	4.9
149.13243	4.7
151.07527	3.2
155.08508	1.6
157.07616	2.1
157.10104	5.8
158.05991	4.1
159.08026	46.3
159.11664	5.6
161.05949	6.4
161.09590	5.7
162.02168	4.1
162.07655	2.3
163.07527	4.8
163.11143	3.8
169.10114	4.1
171.11667	3.8
173.09612	5.0
173.13261	3.1
175.11142	5.3
177.09021	2.6
179.04843	4.8
183.11684	2.6
185.09596	6.4
185.13275	2.8
187.11064	2.7
187.14815	3.8
189.11197	4.8
189.12703	2.9
189.16440	2.3
189.88446	1.6
191.10651	2.1
193.12248	6.8
197.13292	1.8
201.95642	1.6
205.12173	2.5
211.11282	3.5
211.13222	4.7
211.15005	1.6
215.14259	2.7
219.13753	2.9
223.13309	2.6
229.12196	1.9
233.05710	2.3
233.15332	9.0
243.17484	3.5
247.07370	2.4
253.15796	10.6
261.18430	4.5
263.16443	1.9
271.16852	12.8
271.24167	2.1
289.17929	45.5
289.24997	3.0
290.18170	1.5
301.68118	1.8
307.09354	7.7
307.19009	24.4
307.22610	3.0
307.26248	11.2
308.09052	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	307.092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54612	0.6
53.03944	0.7
55.05497	1.1
56.05023	0.8
57.03409	1.1
65.89333	0.7
67.05498	2.7
69.03413	2.8
69.07052	1.3
70.06592	3.3
70.11959	3.3
71.04990	1.4
72.08125	1.0
76.02209	1.6
79.05484	2.2
81.03400	2.7
81.07047	4.1
82.02922	1.0
83.08576	0.8
84.04479	1.9
84.08127	1.6
84.84904	0.6
85.02891	6.5
85.06517	1.1
86.09689	2.0
87.00826	2.1
87.04488	0.8
91.05462	2.1
93.07014	4.1
94.06553	2.2
95.04935	1.1
95.08579	2.9
97.02866	1.0
97.06509	1.2
99.04459	2.6
103.03923	4.5
103.05466	0.6
105.07008	3.4
107.04938	1.0
107.08570	2.4
109.02854	2.1
109.06454	1.2
109.10187	1.6
115.05444	1.2
117.07022	1.3
119.08555	2.0
120.08123	0.9
121.06479	1.5
121.10149	3.5
123.08000	0.8
124.07577	0.8
127.03920	6.5
130.06503	96.1
131.06827	2.3
131.08507	0.9
132.04431	24.6
132.08038	1.6
133.06470	0.7
133.10092	0.9
135.07994	0.7
135.11694	1.5
137.05957	1.2
143.08566	0.9
144.56317	0.7
145.04939	2.4
145.10178	1.1
146.05992	10.0
147.04367	1.1
147.06351	0.9
147.09123	0.9
147.11708	0.9
149.09550	1.9
157.07585	87.4
158.05983	100.0
158.08060	2.6
159.06326	3.9
159.08000	0.7
159.09158	4.4
161.09590	1.1
173.07050	4.1
175.08641	49.6
176.07111	1.2
176.08919	1.3
185.07082	2.7
185.13152	0.9
197.07040	2.6
199.08626	2.3
201.06584	5.8
201.10400	0.8
203.08116	6.5
205.07120	0.8
217.09789	0.7
219.07709	0.7
221.09186	4.1
225.06526	1.6
227.08083	3.6
231.11652	0.8
243.07634	11.8
245.09174	7.1
247.07190	3.6
261.08664	46.5
262.08951	2.7
271.07071	4.3
289.08176	19.1
289.11462	1.6
289.17825	1.3
307.05942	1.9
307.09216	9.4
307.12430	2.3
307.15994	0.9
307.19409	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.4
55.01852	0.7
55.05500	6.7
56.05000	0.2
57.03425	0.2
57.07058	1.0
62.32617	0.1
65.03909	0.3
67.05489	8.9
68.05837	0.1
69.03418	0.2
69.07051	7.4
69.75191	0.7
70.06532	0.2
71.04958	0.2
71.08591	0.3
72.04496	0.3
76.99026	0.1
79.05473	2.5
80.05765	0.1
81.07037	7.8
82.06543	0.3
83.04948	0.3
83.08135	0.2
83.08598	2.6
84.08107	0.2
85.02887	0.2
85.04792	0.2
85.05265	2.1
86.06046	1.0
91.05454	1.0
93.07023	2.0
94.06536	0.2
95.04916	0.3
95.08587	5.9
96.08085	0.4
96.08751	0.1
97.06494	0.2
97.10145	0.9
98.06033	13.2
98.09672	0.2
99.06828	0.3
105.07017	0.7
107.08567	0.9
108.08070	0.2
109.06518	0.2
109.10131	1.7
110.09652	0.6
112.07573	1.8
119.08582	0.6
121.10157	0.8
123.08068	0.2
123.11668	0.4
124.07588	0.4
124.11195	0.3
125.08339	0.2
126.09148	0.6
128.10698	0.1
131.08490	0.2
133.10068	0.4
135.11653	0.4
137.05951	1.5
137.13193	0.1
138.09113	0.4
140.10660	0.6
145.10080	0.2
147.11664	0.3
149.13200	0.2
152.10651	0.3
154.12195	0.7
161.13199	0.2
164.98424	0.2
166.12259	0.4
168.13843	0.3
180.13831	0.3
182.15349	0.5
194.15343	0.4
196.16928	0.5
208.16989	1.0
210.18469	0.3
222.18457	0.6
222.43013	0.2
224.20128	0.2
236.20036	0.6
238.21475	0.1
250.21663	0.3
264.23160	0.2
275.20056	0.5
289.21765	0.2
306.27832	100.0
307.22806	0.3
307.28174	4.4
311.02625	0.2
329.41254	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	307.0782
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06574	3.7
71.53104	5.0
76.47330	2.6
84.08112	3.5
104.10737	20.8
113.12274	2.6
119.01873	3.3
150.86682	2.8
165.67888	2.9
187.54437	2.9
202.89053	3.0
247.03020	5.4
307.04373	3.8
307.07834	100.0
307.15735	6.4
328.09564	3.6
328.65076	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.092
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43083	0.6
55.54226	0.6
69.03442	3.5
70.06577	1.3
70.12530	2.3
71.04977	1.2
72.08151	1.1
74.42409	0.6
81.03400	2.9
82.02926	1.0
84.04508	1.0
85.02887	8.5
86.09693	1.1
87.00826	2.5
94.06565	2.2
97.02870	2.3
99.04427	5.2
103.03926	8.4
108.08854	0.7
109.02842	2.3
111.17870	0.6
115.05426	0.9
127.03893	9.9
130.06503	86.7
131.06870	3.2
132.04428	24.6
145.04956	3.7
146.05980	5.4
147.04460	1.0
156.35931	0.6
157.07588	74.5
158.05986	100.0
158.08052	2.6
159.06354	3.7
173.07076	3.9
175.08640	52.4
176.07011	1.2
176.09010	2.3
187.05984	1.4
197.07120	2.8
198.05461	0.7
199.08653	2.7
200.07063	0.9
201.06595	5.9
203.08109	6.2
205.07024	0.9
216.06541	1.0
221.09186	3.6
225.06404	0.9
231.47925	0.8
233.75166	0.6
243.07585	9.9
245.09227	3.1
247.07117	3.1
261.08667	52.5
262.09012	2.4
271.07196	2.7
289.08142	16.6
290.08710	0.8
307.09134	7.7
307.16183	1.0
308.07376	0.9
317.19638	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0783
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08554	1.7
56.96549	2.5
57.32735	1.7
69.45306	15.2
70.06569	2.7
82.87707	1.6
83.27264	1.7
84.08135	17.7
101.00885	5.5
109.83099	1.9
110.07172	2.5
115.02454	2.6
119.01901	20.8
130.08607	17.8
133.03445	5.0
137.02914	5.0
143.01897	3.6
144.99802	2.2
145.03458	3.1
157.03423	3.9
160.30785	1.8
161.02965	7.9
168.06146	4.7
168.99828	3.2
170.07700	6.4
175.04494	3.4
187.00848	5.1
196.05698	4.3
205.01938	2.7
215.00394	7.0
219.03481	1.8
221.05049	3.5
222.06841	1.7
229.01849	2.9
233.01436	2.1
243.33557	1.7
247.02954	14.0
247.06673	5.0
261.12082	2.3
265.04068	1.9
265.07632	4.8
270.98669	1.9
273.93954	1.8
287.19159	1.9
289.04013	2.9
289.66684	2.0
307.07898	100.0
307.12280	11.0
307.15753	4.2
325.13538	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	306.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63294	0.2
58.02939	0.6
69.07033	1.1
69.95182	1.2
70.73484	0.2
79.05473	0.5
81.07032	1.0
84.08120	0.3
91.05465	0.7
93.07021	0.4
94.04146	2.0
95.08546	0.3
97.06508	0.4
97.10757	0.3
98.21411	0.4
100.07610	0.3
107.04911	0.3
107.08558	0.5
109.10123	0.8
114.09126	0.6
122.03624	5.9
133.10136	0.8
135.11638	1.0
137.05949	100.0
138.06281	1.0
149.83389	0.2
150.57722	0.2
151.11111	0.7
152.85315	0.3
153.12732	0.9
170.15382	1.8
182.15388	2.6
208.23900	0.2
233.40170	0.2
306.20605	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.3
55.01858	0.9
55.05503	6.3
56.05014	0.2
57.07065	0.8
65.03906	0.5
67.05495	8.7
69.03390	0.2
69.07056	6.7
69.26546	1.2
69.26974	0.5
70.06575	0.2
70.89598	0.2
71.04952	0.2
71.08604	0.3
72.04492	0.3
74.06048	0.2
74.12835	0.1
79.05473	2.6
81.07043	7.6
82.06565	0.3
83.08605	2.6
84.04445	0.2
84.08094	0.2
85.05270	2.3
85.06530	0.2
86.06045	0.8
88.02193	0.2
91.05463	1.4
93.07027	2.2
94.24687	0.1
95.04942	0.5
95.08590	5.8
96.08105	0.2
97.02895	0.2
97.06503	0.6
97.10151	0.9
98.06037	12.2
98.21438	0.3
99.06843	0.2
105.07033	1.2
107.08581	1.6
109.06525	1.2
109.07202	0.2
109.10143	1.7
110.09643	0.5
111.08048	0.2
111.11646	0.2
112.07592	1.7
116.05296	0.4
117.06989	0.3
117.52712	0.2
119.08531	0.6
121.10122	0.7
122.03612	0.2
122.09663	0.2
123.08038	0.2
123.11686	0.5
124.07555	0.4
124.11194	0.2
125.09579	0.4
126.09112	0.6
130.06473	0.2
131.08528	0.4
133.10091	0.6
135.11678	0.4
137.05948	6.9
137.13167	0.2
138.06288	0.2
138.09129	0.4
140.10648	0.5
145.10081	0.4
147.11612	0.4
149.09586	0.2
149.13228	0.2
151.11020	0.2
152.10710	0.2
154.12224	0.7
159.11690	0.2
161.13220	0.2
165.12766	1.4
166.12259	0.2
166.98456	0.2
168.13821	0.4
176.96880	0.2
180.13875	0.3
182.15329	0.8
194.15338	0.2
196.16943	0.6
203.12703	0.3
208.16917	1.0
210.18501	0.2
222.18501	0.7
224.20155	0.3
236.19974	0.4
238.21422	0.2
250.21597	0.3
275.19995	1.2
289.21561	0.3
306.27853	100.0
307.22797	1.8
307.28134	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	305.268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20586	0.5
55.05495	1.7
57.07065	100.0
59.04708	0.8
59.04990	13.2
59.99084	1.8
65.15460	0.6
67.05492	1.3
69.07040	1.5
70.76899	0.6
71.08618	70.4
71.53760	1.0
71.86945	0.6
79.05468	1.1
81.07033	1.2
83.08587	1.9
85.10166	64.2
86.06063	5.6
86.10506	1.0
89.06012	7.6
91.05462	0.7
93.07014	1.6
95.04939	1.3
95.08573	1.4
97.10139	1.1
99.11707	5.1
102.03753	0.9
105.07053	1.0
106.06535	16.6
107.07037	4.9
107.08536	1.4
116.05303	12.0
119.08517	0.9
121.10103	0.9
125.09586	0.9
133.10052	0.8
137.05933	5.8
141.16318	2.1
145.04254	2.6
149.09587	0.9
151.09651	1.3
179.10719	0.7
199.20537	1.8
201.10539	21.1
208.05322	1.3
248.71283	0.6
250.10085	1.1
305.05435	2.3
305.10275	0.9
305.21265	1.5
305.24500	1.2
306.16202	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	306.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89627	0.4
55.01855	0.5
57.07065	100.0
58.07391	2.6
59.05001	0.9
59.99099	9.2
69.60109	3.3
71.08623	3.3
72.08952	2.0
72.10574	0.4
73.72693	0.5
79.05486	1.2
81.07055	0.6
85.07653	1.7
85.10163	3.4
86.06049	16.2
86.10477	0.7
87.06376	0.4
89.06046	0.5
98.20805	0.9
98.21386	1.0
102.03750	2.7
102.99638	0.9
106.06535	60.5
107.06920	1.5
116.05297	41.7
117.05643	1.1
137.05934	6.2
141.13885	0.5
142.12250	1.1
145.04285	10.8
145.05362	0.4
159.82382	0.5
201.10535	75.7
202.10884	2.6
208.05342	3.8
250.10051	4.1
306.16287	10.5
306.27551	0.5
307.16428	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78339	1.1
51.66622	1.4
53.03935	1.7
55.01861	2.2
55.05490	2.8
57.65986	1.1
62.95383	1.3
63.01595	1.3
67.05490	3.7
69.03406	2.0
69.07059	5.9
69.62411	2.6
69.62827	6.1
70.06578	6.6
71.04980	1.9
72.08148	3.4
76.02201	1.6
79.05474	4.5
81.03416	2.7
81.07056	4.2
83.04948	1.9
84.08122	3.1
85.02888	3.1
85.06562	1.2
86.06047	8.1
86.09677	3.7
88.04002	2.0
91.05464	17.4
91.22805	1.1
93.05752	1.3
93.07024	5.0
94.06543	5.3
94.07382	1.4
95.04964	1.4
95.08592	2.6
96.70802	1.2
97.06488	1.9
99.00773	1.5
103.05444	1.5
105.06966	2.6
107.04925	1.5
107.08588	2.6
109.02861	7.1
109.06499	2.8
110.06030	1.4
111.08071	1.4
116.04956	11.7
116.07064	1.6
117.05738	3.7
118.06528	28.0
118.07355	2.4
119.07337	5.8
119.08596	2.6
120.04437	2.0
120.08094	46.8
120.08907	2.9
121.10099	1.6
122.02743	1.3
122.06005	10.1
122.09628	1.4
123.04431	1.9
123.06826	1.3
123.68901	1.1
124.07589	3.6
127.03918	1.7
129.05418	1.5
129.10191	1.7
130.06487	1.8
134.05989	2.4
136.07579	3.8
137.05978	1.4
137.09607	1.5
138.09180	1.8
139.03802	1.4
140.07040	6.9
142.08653	3.2
145.10182	1.1
146.05974	18.9
146.08081	4.2
147.04356	1.2
147.06758	11.1
147.07930	2.5
148.07530	12.4
149.09630	1.6
155.08514	1.4
158.06030	2.9
164.07037	100.0
165.07469	2.7
172.07584	1.4
173.07140	1.5
174.05449	1.9
177.05460	2.9
179.06992	1.2
186.09204	1.5
188.10675	1.6
189.11598	1.9
214.12221	3.4
215.07338	1.2
216.07628	2.5
226.12244	3.3
241.09511	1.6
241.13448	1.9
242.11734	15.5
243.14877	20.5
245.12881	5.7
259.14423	1.4
261.16037	3.6
269.10172	2.1
269.12790	10.1
270.11179	23.6
273.12292	5.1
282.67407	1.5
287.10583	3.6
287.13837	56.0
288.14145	1.7
305.11783	2.3
305.14917	31.9
305.20575	1.7
305.25580	2.8
316.56647	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	305.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63169	0.7
53.77908	0.7
55.05487	2.5
57.07059	0.8
65.03935	0.8
67.05494	4.9
68.99773	1.5
69.03400	1.4
69.07062	6.0
69.89304	3.4
70.06555	0.9
71.04982	1.5
78.75314	0.8
79.05480	3.0
81.07033	11.0
83.04959	1.3
83.08600	2.2
84.08124	2.2
85.06522	1.7
87.00824	0.8
88.03954	1.1
89.82215	0.9
91.05451	3.8
93.07024	9.0
95.04933	4.4
95.08591	7.9
97.06488	1.8
98.20805	1.0
105.07042	5.6
105.94629	0.8
107.08586	4.4
107.09293	0.7
109.02840	1.5
109.06503	2.3
109.10124	6.2
111.08051	1.5
111.11693	0.9
113.06021	0.8
115.05437	4.2
118.06551	2.2
119.08556	3.9
121.10141	4.8
123.08051	1.0
123.11659	4.2
125.09574	1.1
128.94319	0.8
129.07008	1.0
130.06499	34.7
131.06880	1.2
131.08525	1.8
131.67717	1.1
132.08073	30.8
133.10110	1.6
135.07985	1.6
135.11661	2.6
137.05855	1.0
137.09549	0.8
139.11250	1.4
142.06482	7.8
143.07268	3.4
144.04361	1.3
145.05185	0.8
145.10043	2.3
147.11662	3.6
149.13214	2.5
156.08073	4.1
157.07578	3.8
158.06006	2.2
158.08376	4.5
159.09148	86.4
160.07545	31.2
160.08661	0.6
160.09544	2.4
161.07895	1.1
161.13223	1.4
163.11153	1.1
165.12723	1.0
167.06055	1.2
169.07558	4.7
170.05983	30.2
171.06464	1.2
172.07498	1.6
175.14828	1.5
177.16362	1.2
178.02124	1.0
181.07550	2.7
183.09100	3.7
184.07552	18.6
185.07054	41.8
186.07414	2.5
187.08684	5.8
187.14732	1.1
189.08975	0.9
199.08664	3.9
200.07071	8.5
201.10207	13.4
201.16386	1.3
202.08604	33.0
202.10336	1.1
203.08937	1.6
207.72398	0.8
209.07031	1.9
227.08115	39.7
228.08412	1.5
231.05315	1.1
243.11243	2.9
245.09175	100.0
246.09505	3.7
255.07634	6.0
259.04825	0.9
269.09030	3.0
273.08655	19.1
287.10281	4.3
287.23633	3.0
305.05414	14.7
305.11063	4.7
305.24557	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	304.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.0
55.01860	4.5
55.05502	2.4
57.03421	6.0
58.06591	1.7
58.99573	2.0
60.04506	6.1
60.28662	1.5
61.02911	2.2
67.05476	2.9
69.03421	11.5
69.07056	33.6
70.06569	5.3
70.48602	5.1
71.08619	19.3
72.04497	2.2
72.08150	3.4
73.02889	5.0
76.02212	2.1
79.05484	9.2
81.03399	6.9
84.04490	4.1
84.08121	3.2
85.02892	56.0
86.02412	5.4
86.09685	5.7
86.99023	1.9
88.03981	17.0
91.05466	43.3
93.07024	39.3
94.06534	1.7
95.04954	3.0
95.08587	6.1
96.04436	3.0
97.02879	33.9
97.06507	4.3
98.97555	4.5
99.04422	3.1
103.03915	3.4
103.05457	2.7
105.07018	17.5
109.02866	21.1
110.02272	1.9
111.04413	2.7
114.05504	3.6
114.09148	19.5
116.98605	2.3
117.06988	8.1
119.04920	2.3
119.08562	100.0
120.08080	2.1
120.08879	4.0
121.10116	10.2
122.02699	5.7
122.03586	2.8
122.06017	2.0
123.04417	3.1
123.08047	5.2
124.07575	1.4
127.03911	13.0
129.06960	2.9
130.06494	4.2
134.99757	1.4
136.07587	2.4
137.02303	1.9
137.05943	25.7
137.09561	11.5
138.06277	20.0
138.09076	3.2
142.08607	97.7
143.08958	1.6
145.04933	6.2
146.05954	1.9
147.08017	43.7
154.03189	1.6
156.10110	3.3
157.07599	1.6
158.05977	3.3
165.09082	44.3
173.01219	2.3
174.05884	2.0
184.09665	65.3
188.07339	2.9
189.52750	1.8
208.09610	16.7
208.11041	1.5
218.04782	4.5
220.09726	3.5
222.09088	1.7
238.10652	2.1
242.09253	1.7
250.10794	8.0
259.06116	1.7
260.10263	2.1
281.01840	3.3
286.10873	21.2
299.02692	1.8
304.05206	3.4
304.08514	2.2
304.13501	4.5
305.15576	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	304.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41195	0.6
53.03930	1.1
55.01850	1.9
55.05486	1.4
55.35089	0.5
57.03418	0.6
60.03938	0.6
67.05493	2.8
68.99766	1.2
69.03433	1.2
69.07049	0.7
69.33772	5.2
70.00094	0.9
70.06584	1.2
72.08140	0.7
73.02898	2.2
75.21258	0.6
79.05480	7.8
79.53787	0.5
81.03399	0.8
81.07040	2.6
83.04986	0.6
84.04486	1.2
84.08105	0.9
85.01078	0.6
85.02882	1.1
86.09706	1.1
89.06090	0.7
91.05467	22.0
92.05817	0.6
93.03417	0.8
93.07027	30.7
95.04952	2.6
95.08590	5.5
96.05277	0.9
97.02898	0.8
98.21457	1.3
99.08054	0.7
103.05465	1.2
105.03378	0.8
105.07027	3.1
107.04955	0.7
107.08550	1.2
109.02849	0.9
109.06503	0.7
109.10147	0.9
111.00847	0.8
111.04406	1.1
111.39739	0.7
117.06987	5.0
119.04898	0.7
119.08560	51.1
120.08079	2.0
120.08867	1.1
121.02785	0.8
121.10117	7.5
122.03262	0.9
122.06026	0.6
122.10387	0.6
123.04417	4.6
129.06975	2.9
130.04988	0.9
130.06487	2.9
135.11693	0.6
136.07573	0.7
137.02295	3.9
137.05957	5.1
137.09598	11.9
138.02664	2.9
139.03903	2.0
146.05991	2.2
147.04364	0.8
147.08023	32.3
149.02301	0.8
153.01828	6.0
154.02098	4.4
156.05302	0.8
158.05968	7.0
161.05991	0.7
164.04201	0.6
164.07036	0.6
165.01851	1.6
165.09093	23.1
166.02184	1.1
173.07077	4.2
173.81279	0.6
174.05391	1.1
183.10162	2.0
184.03198	1.1
184.04764	0.7
188.04280	0.8
200.12865	3.1
202.05864	3.7
213.10367	0.8
226.09709	0.8
227.10501	5.5
228.11256	1.9
229.04863	1.6
230.05292	7.0
233.03525	0.7
240.11240	4.9
246.05119	0.6
248.06326	1.2
250.11684	0.7
256.10757	12.1
258.04745	4.2
259.07147	1.8
268.10736	4.1
269.10175	0.8
275.05029	1.5
286.04272	2.1
286.11826	10.3
287.12155	0.7
304.05283	100.0
304.12598	8.6
304.23355	1.2
305.02573	1.1
305.05536	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	304.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41195	0.6
53.03930	1.1
55.01850	1.9
55.05486	1.4
55.35089	0.5
57.03418	0.6
60.03938	0.6
67.05493	2.8
68.99766	1.2
69.03433	1.2
69.07049	0.7
69.33772	5.2
70.00094	0.9
70.06584	1.2
72.08140	0.7
73.02898	2.2
75.21258	0.6
79.05480	7.8
79.53787	0.5
81.03399	0.8
81.07040	2.6
83.04986	0.6
84.04486	1.2
84.08105	0.9
85.01078	0.6
85.02882	1.1
86.09706	1.1
89.06090	0.7
91.05467	22.0
92.05817	0.6
93.03417	0.8
93.07027	30.7
95.04952	2.6
95.08590	5.5
96.05277	0.9
97.02898	0.8
98.21457	1.3
99.08054	0.7
103.05465	1.2
105.03378	0.8
105.07027	3.1
107.04955	0.7
107.08550	1.2
109.02849	0.9
109.06503	0.7
109.10147	0.9
111.00847	0.8
111.04406	1.1
111.39739	0.7
117.06987	5.0
119.04898	0.7
119.08560	51.1
120.08079	2.0
120.08867	1.1
121.02785	0.8
121.10117	7.5
122.03262	0.9
122.06026	0.6
122.10387	0.6
123.04417	4.6
129.06975	2.9
130.04988	0.9
130.06487	2.9
135.11693	0.6
136.07573	0.7
137.02295	3.9
137.05957	5.1
137.09598	11.9
138.02664	2.9
139.03903	2.0
146.05991	2.2
147.04364	0.8
147.08023	32.3
149.02301	0.8
153.01828	6.0
154.02098	4.4
156.05302	0.8
158.05968	7.0
161.05991	0.7
164.04201	0.6
164.07036	0.6
165.01851	1.6
165.09093	23.1
166.02184	1.1
173.07077	4.2
173.81279	0.6
174.05391	1.1
183.10162	2.0
184.03198	1.1
184.04764	0.7
188.04280	0.8
200.12865	3.1
202.05864	3.7
213.10367	0.8
226.09709	0.8
227.10501	5.5
228.11256	1.9
229.04863	1.6
230.05292	7.0
233.03525	0.7
240.11240	4.9
246.05119	0.6
248.06326	1.2
250.11684	0.7
256.10757	12.1
258.04745	4.2
259.07147	1.8
268.10736	4.1
269.10175	0.8
275.05029	1.5
286.04272	2.1
286.11826	10.3
287.12155	0.7
304.05283	100.0
304.12598	8.6
304.23355	1.2
305.02573	1.1
305.05536	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	304.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.0
55.01862	10.8
55.05487	5.7
57.03416	1.8
58.99582	7.3
61.01118	1.8
67.05491	7.1
67.05781	1.5
69.03401	2.9
69.07033	5.0
70.02946	2.1
70.06566	4.5
70.30913	4.1
70.31270	1.3
71.04963	3.1
72.08148	7.6
73.02897	2.7
73.77455	1.2
74.06087	1.4
76.02193	4.3
77.45055	1.2
79.05142	1.1
79.05479	12.7
79.26089	1.1
81.03409	2.2
81.07052	7.1
83.04944	2.7
83.08578	5.6
84.04460	2.4
84.08114	4.7
85.01089	5.0
85.02855	4.6
86.00640	1.3
86.06027	1.2
86.09665	3.8
86.99032	2.8
88.02175	3.8
88.03487	2.2
88.03979	27.4
91.05466	44.4
93.03288	1.2
93.07028	93.8
94.07336	2.6
95.04948	7.3
95.08578	10.0
97.01111	3.5
99.02660	2.1
102.05534	1.3
103.05424	2.4
105.04475	2.0
105.07013	15.6
107.04917	3.0
107.08574	12.2
109.02859	2.1
109.06476	4.4
109.10110	4.2
110.07138	2.5
111.02610	3.0
111.07372	2.1
111.08073	23.6
114.05495	1.4
115.05482	1.9
117.06990	22.7
119.04852	1.6
119.08563	80.3
120.08133	5.9
120.08819	2.3
121.06461	3.4
121.10127	13.7
122.02714	10.3
123.02521	1.2
123.08069	3.0
124.07550	2.1
125.04153	3.8
125.09632	1.5
126.24812	1.3
127.03874	2.5
127.05740	2.0
129.05449	1.5
129.06932	3.9
130.03207	2.8
131.04897	1.4
131.08502	3.4
132.01137	2.0
133.06439	4.4
134.02617	1.7
135.08047	12.1
136.07498	1.6
137.04138	2.1
137.05934	4.0
137.09599	10.3
138.06306	3.7
139.03937	2.3
139.11174	1.3
142.08592	3.6
143.10623	1.6
145.06406	1.9
146.05962	5.6
147.04352	3.6
147.08022	47.3
148.08418	1.7
149.04161	4.7
149.09598	1.3
151.05743	44.8
152.06015	1.3
153.07280	2.8
153.09058	7.4
155.05232	1.8
158.02687	1.8
158.06030	1.9
159.09132	2.9
163.07555	2.2
164.06987	1.7
165.09084	34.1
169.06734	5.2
179.05223	37.7
181.08530	3.0
183.10114	6.1
187.05876	1.5
188.07025	3.6
192.03423	1.2
197.06293	18.3
203.60448	1.3
204.03183	1.8
215.07329	100.0
216.07652	3.1
217.05029	1.4
222.09453	3.0
225.42870	1.3
230.05119	1.4
230.07977	1.2
240.10434	3.9
241.08704	1.8
245.20317	1.4
258.11554	4.6
268.09940	29.5
285.33347	1.3
286.10980	23.4
287.09375	12.1
287.13690	3.6
304.05310	15.8
304.08578	3.0
304.12024	79.2
305.12000	2.5
305.15140	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	304.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.9
54.85756	1.0
55.01856	4.6
55.05490	2.2
56.96536	1.1
57.07070	1.1
58.99565	2.4
60.04505	1.8
61.02914	1.4
67.05488	4.8
69.03405	3.5
69.07052	5.0
70.06577	4.2
70.76670	2.9
71.08640	1.9
72.08135	2.3
73.02900	1.8
74.06059	1.5
79.05481	13.3
81.03408	1.6
81.07028	2.8
84.08109	3.6
85.02904	11.5
86.00674	1.1
86.09689	9.9
88.02205	2.4
88.03974	14.5
91.05466	44.5
92.05748	1.3
93.07030	49.8
94.06497	1.8
95.04939	3.4
95.08611	9.9
96.04505	1.5
97.02897	6.1
99.02663	3.2
99.04388	1.4
103.05447	1.9
104.06218	1.6
105.07033	7.8
107.08584	1.6
109.02872	3.3
109.06489	2.4
110.07182	1.6
111.04433	1.5
114.09142	3.0
117.07008	12.0
119.08562	100.0
120.01156	2.2
120.08895	2.9
121.10127	10.2
122.02705	4.2
122.03557	1.5
122.05997	4.7
123.04447	6.8
123.08026	2.7
127.03896	2.4
128.06195	1.2
128.10699	1.8
129.06982	6.3
129.10318	1.1
130.03230	1.4
132.01129	2.2
134.02722	2.7
134.08031	2.0
135.08101	1.2
136.07565	3.2
137.05957	24.2
137.09595	12.9
138.06279	16.6
142.08620	16.7
145.03053	1.1
145.04938	2.5
145.06551	1.2
146.06017	1.5
146.67822	1.1
147.04340	1.5
147.08029	58.9
148.08434	1.9
149.02362	1.2
150.05481	2.8
150.62300	1.2
151.05753	2.3
165.09088	44.2
166.07185	1.2
168.06506	1.4
179.05220	4.3
181.06790	1.2
184.09697	12.6
188.07318	6.6
197.06306	2.4
199.07785	3.3
207.26842	1.2
240.10558	1.7
250.10785	1.6
259.06024	1.9
268.09778	1.7
269.08432	4.1
286.10928	24.4
286.17557	1.4
287.13950	2.0
304.05209	7.9
304.08606	1.7
304.12192	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	304.1208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36967	0.7
52.80037	0.6
53.40836	0.7
55.01860	9.4
55.05489	1.4
56.05032	0.8
58.06567	1.9
58.99566	2.7
61.01140	1.5
61.89407	0.9
67.05486	3.8
69.03405	1.1
69.07055	1.0
70.06553	2.1
71.34743	1.6
72.08141	1.4
73.02881	2.2
74.00648	0.7
79.05480	28.7
81.07037	4.6
84.08137	1.4
86.00617	0.9
86.09706	0.7
86.99032	2.0
88.02202	73.1
88.03966	1.9
91.05475	9.9
93.06467	1.0
93.07030	14.5
95.04985	1.0
95.08562	2.4
98.97532	0.8
99.02666	0.9
99.04434	0.8
102.05538	0.9
105.07032	4.2
107.04934	2.7
107.08579	30.1
109.06495	1.9
109.10128	1.1
110.07131	2.5
110.90052	0.7
115.05453	1.3
116.98639	0.7
117.06986	6.1
119.08581	5.1
121.10117	1.7
122.02702	1.0
123.04419	0.7
125.04228	1.0
125.09599	1.5
129.10246	0.8
131.00136	0.8
132.01144	1.0
134.02687	38.7
135.08031	28.3
137.05914	1.0
147.08011	8.0
151.05754	1.1
152.81436	0.7
153.07253	1.5
153.09041	0.8
165.09010	1.0
170.09222	1.1
173.01123	0.9
185.09196	1.2
191.02316	0.7
196.11491	0.7
240.10513	4.1
242.12105	2.0
268.09888	1.6
274.98602	0.7
281.01810	1.2
286.11029	100.0
287.11490	3.6
304.12228	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	303.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.2
55.01853	1.0
55.05497	1.5
57.03412	0.6
57.07047	0.4
58.61664	0.2
65.03906	0.7
67.05490	3.3
68.99773	1.5
69.03400	0.8
69.07053	2.7
70.06557	0.2
71.04961	0.9
71.55159	0.2
71.55551	0.3
72.04504	0.4
79.05476	1.9
81.03389	0.5
81.07040	9.3
81.07510	0.5
82.07355	0.2
83.04960	1.2
83.08585	1.2
85.02878	0.3
85.06518	0.6
91.05457	2.9
93.03387	0.8
93.07014	2.5
95.04941	1.6
95.08589	3.0
96.26568	0.2
97.06522	1.0
99.08068	0.4
101.05944	0.2
103.05433	0.3
105.07014	4.7
107.04926	0.6
107.08560	2.2
109.02851	1.1
109.06485	1.1
109.10113	1.1
111.00774	2.1
111.04410	0.4
113.05947	0.5
117.06948	0.5
119.04897	0.2
119.08557	3.6
120.08060	0.4
121.02842	2.1
121.06479	0.3
121.10110	3.3
123.04390	0.8
123.08016	0.7
123.11684	3.9
127.03827	0.6
127.07504	0.6
129.06989	0.3
131.04895	0.6
131.08519	0.6
133.10136	1.1
135.04433	0.2
135.08046	0.4
135.11662	0.8
137.02316	7.1
137.03397	0.4
137.05940	5.3
137.09566	0.5
137.13196	0.4
138.02649	0.4
138.06305	0.3
138.09143	0.3
141.06924	0.3
143.08559	0.2
145.06448	0.5
145.10091	0.9
147.11656	8.6
148.11990	0.3
149.02322	0.8
149.09599	0.4
151.03891	0.2
151.07503	0.5
153.01797	9.3
153.05405	0.2
153.06915	0.3
154.02122	0.4
155.04909	0.8
157.06384	0.3
157.10046	0.6
159.04451	0.3
159.11667	0.5
160.03925	0.6
161.05927	0.7
161.13216	0.3
163.03891	1.0
163.11143	0.3
163.14725	0.2
164.07008	0.2
165.01799	3.7
165.07025	0.3
165.12727	3.9
166.02596	0.4
168.05739	0.3
170.10861	0.2
173.06004	1.1
173.09509	0.2
173.13226	0.4
175.11169	0.6
177.05501	0.3
179.03346	0.4
183.02832	1.3
183.04416	0.7
183.07996	0.3
183.11642	0.2
183.13783	0.8
184.04927	0.2
185.09402	0.3
185.13254	0.2
187.03865	0.9
191.03386	0.4
193.12273	0.6
195.02780	0.4
199.14755	0.3
201.05431	4.3
205.04880	0.4
207.02867	0.2
211.03789	0.7
211.07590	0.3
213.05437	0.3
215.11157	0.2
215.17848	0.2
219.06538	0.6
228.04105	0.7
229.04900	8.6
229.14229	1.2
230.05203	0.7
239.03444	0.3
243.10770	0.2
247.06032	1.0
257.04407	4.5
258.04858	0.4
259.10684	0.4
267.15848	5.2
268.16083	0.2
271.09576	0.6
274.04709	1.4
275.05371	0.5
285.03943	1.9
285.12250	0.4
285.16879	9.1
285.22073	0.6
286.17303	0.5
303.04922	100.0
303.22964	2.1
304.05243	8.9
304.16141	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03484	1.4
53.03934	2.0
55.01869	2.6
55.05491	3.4
58.57315	1.2
58.99575	2.0
67.05476	3.7
69.07053	2.1
69.88327	6.0
70.06590	1.7
72.08126	1.8
73.02905	1.6
76.02191	3.0
79.05479	14.3
81.07057	1.9
84.08100	3.3
84.59671	1.4
86.09687	3.7
88.03976	8.1
91.05465	36.3
93.07024	51.0
93.70302	1.3
95.04971	3.6
95.08568	7.4
99.02674	9.7
105.07032	8.0
107.08561	1.8
109.94003	1.3
111.02618	2.2
111.64871	1.5
115.05451	2.4
116.75771	1.5
117.06991	13.4
119.08563	100.0
120.01131	3.3
120.08073	4.5
120.08875	1.9
121.10100	10.2
122.02691	4.1
123.04424	3.9
129.06963	5.0
131.08557	2.7
132.01099	3.4
135.07983	1.7
137.05948	6.3
137.09593	15.2
138.06314	1.5
141.56082	1.5
142.08643	1.5
145.06488	1.7
147.08026	54.8
148.08435	1.6
151.05753	14.2
153.07301	1.9
154.03142	1.9
165.09087	34.9
173.12819	4.0
179.05229	15.6
183.10107	1.8
185.11128	1.4
197.06264	5.6
222.09439	2.1
240.10490	5.1
250.08952	2.3
268.09839	7.3
269.08350	6.6
281.44873	1.5
286.11044	35.1
304.08380	1.7
305.14755	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.3
55.01854	0.8
55.05505	1.4
57.03424	0.9
57.07051	0.3
65.03920	0.6
67.01839	0.3
67.05166	0.3
67.05493	3.2
68.99776	2.0
69.03399	0.6
69.07053	2.2
69.60874	0.2
70.06561	0.2
71.04967	0.8
71.53498	0.4
72.04472	0.5
79.05482	2.0
81.03411	0.9
81.07043	10.3
82.07363	0.2
83.04960	1.1
83.08605	1.5
85.02875	0.3
85.06531	1.0
91.05468	3.2
91.45071	0.2
93.03363	0.6
93.07028	2.6
95.04954	1.5
95.08589	2.8
97.02859	0.4
97.06511	1.0
97.10147	0.3
99.08061	0.5
103.05470	0.3
105.03424	0.2
105.07018	5.0
107.04955	0.3
107.08569	2.1
109.02873	1.1
109.06493	1.2
109.10119	1.0
111.00792	1.8
111.04406	0.2
111.07995	0.3
113.05935	0.3
115.05427	0.3
117.07004	0.4
117.40656	0.2
119.04945	0.2
119.08549	3.7
121.02841	2.4
121.06480	0.3
121.09309	0.3
121.10123	3.8
122.03610	0.3
123.04404	0.8
123.08067	1.0
123.11688	3.8
125.09567	0.2
127.03879	0.3
129.06966	0.4
131.04910	0.4
131.08534	0.7
132.43091	0.2
133.02751	0.2
133.06454	0.3
133.10118	1.1
135.04369	0.6
135.08017	0.3
135.11682	0.5
137.02321	6.8
137.03322	0.4
137.05957	5.2
137.09599	0.4
137.13210	0.4
138.06226	0.2
138.09050	0.2
139.05284	0.2
139.11235	0.2
143.08531	0.2
145.06467	0.6
145.10127	1.0
147.11659	8.8
148.12013	0.4
149.02330	0.7
149.09590	0.4
149.13216	0.2
151.07474	0.3
151.11121	0.2
153.01804	8.1
153.05472	0.2
153.06947	0.3
154.02087	0.4
155.04892	0.8
155.08476	0.2
157.10072	0.7
159.04352	0.2
159.11714	0.5
160.03912	0.3
161.05962	0.7
161.09604	0.3
163.03847	1.1
165.01807	4.0
165.07065	0.3
165.12727	4.6
166.02507	0.7
166.13127	0.2
171.11623	0.2
173.05946	1.3
173.13206	0.2
175.11185	0.6
175.14790	0.2
177.05370	0.3
177.12770	0.2
179.03325	0.2
183.02866	1.3
183.04387	0.6
183.07983	0.4
183.11703	0.2
183.13763	1.2
187.03806	0.9
187.14781	0.3
191.03415	0.3
191.07054	0.2
193.12219	0.3
195.02893	0.4
201.05432	4.0
202.05818	0.3
205.04947	0.5
211.07477	0.2
219.06444	0.6
228.04211	0.5
229.04926	8.6
229.14273	1.3
230.05240	0.9
239.03424	0.4
243.10129	0.3
247.06012	1.3
257.04410	5.3
258.04861	0.4
259.10809	0.4
267.15869	5.4
268.16296	0.5
271.09656	0.5
274.04681	1.4
275.05237	0.4
285.03925	2.3
285.12140	0.5
285.16901	9.3
285.22055	0.5
286.04428	0.4
286.17310	0.8
303.04935	100.0
303.23080	2.3
304.05273	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	303.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.7
55.01851	1.0
55.05498	0.9
60.54960	0.4
63.79226	0.4
67.05497	2.3
69.03374	0.7
69.07046	1.2
69.81425	1.6
69.81834	0.9
70.06564	1.5
71.04966	1.0
72.08128	2.8
74.38541	0.4
79.05465	1.4
81.03391	0.6
81.07021	1.5
83.04961	0.4
83.08588	0.8
84.04478	0.7
84.08112	1.6
85.02890	1.0
85.06542	3.2
86.09676	2.2
88.02225	0.4
91.05466	2.8
91.27595	0.4
93.07039	2.7
94.04156	1.9
95.04964	1.2
95.08595	0.5
98.20731	0.7
99.08055	0.8
103.05424	0.8
105.07017	1.0
107.04958	1.1
107.08585	0.7
109.06512	0.8
110.07169	1.0
111.08056	1.2
117.06992	0.8
119.04902	0.7
119.08549	1.3
120.08055	0.8
121.06465	0.6
121.10133	0.7
122.03623	7.3
122.05985	1.0
123.04382	1.2
124.07522	0.7
125.05958	0.6
129.06950	0.6
129.09106	3.2
129.09973	0.5
130.06506	0.6
131.04865	0.7
132.08032	0.5
134.06003	1.6
135.08044	0.7
136.07532	0.8
137.02318	1.5
137.05952	100.0
138.06296	2.9
138.09096	0.4
139.03889	1.0
145.06474	0.7
146.05917	0.5
147.04399	0.7
147.07971	0.7
149.05954	0.9
151.03836	0.9
151.07520	1.4
153.01814	2.0
153.05487	0.5
153.06979	1.5
153.09062	0.9
155.08528	0.5
157.04951	1.9
157.10016	0.4
159.09222	0.5
161.05983	0.5
162.05496	1.5
163.03880	0.9
163.07542	1.0
165.01823	0.8
165.06975	0.9
165.09073	1.0
167.03383	1.5
167.67419	0.4
181.06480	1.4
182.08383	1.9
183.02826	0.8
183.08047	0.6
188.07184	1.0
196.09840	0.5
201.05450	0.9
205.09787	0.5
211.07486	0.9
211.12340	0.8
213.09108	0.6
229.04897	1.7
241.08463	0.7
243.10123	0.5
253.08507	0.5
255.11636	0.4
257.04507	0.6
257.12772	1.8
258.11453	0.5
271.09674	1.6
273.11191	1.3
283.58023	0.4
285.12317	6.4
288.09970	0.6
303.04980	21.6
303.08676	1.4
303.13339	11.4
303.22885	0.8
304.05267	1.7
304.08392	0.6
304.13702	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0491
Annotation	Quercetin
Peak:m/z	Relative Intensity
55.01857	0.3
65.03933	0.3
67.01852	0.2
67.05480	0.7
68.99780	1.5
71.53998	0.2
71.54384	0.3
75.29909	0.2
81.03388	0.6
81.07033	0.2
91.05461	0.5
91.58925	0.2
93.03376	0.7
93.07015	0.4
95.04938	0.7
95.08588	0.4
96.89601	0.2
97.67020	0.2
105.07018	0.2
109.02814	0.9
109.06525	0.2
111.00805	1.5
111.04435	0.2
117.07021	0.3
118.82693	0.2
119.08537	0.4
121.02855	1.6
123.04399	0.5
127.03883	0.4
131.04851	0.3
135.04361	0.3
137.02319	6.4
137.03368	0.3
137.05923	0.3
141.07503	0.2
145.06419	0.5
145.10117	0.2
149.02310	0.7
153.01799	8.1
155.04860	0.6
157.06403	0.2
161.05972	0.6
163.03879	1.3
165.01823	3.4
165.30281	0.2
166.02522	0.4
167.16858	0.2
173.05962	1.1
179.03334	0.4
183.02850	1.4
183.04419	0.6
187.03815	0.9
191.03339	0.3
195.02896	0.4
201.05432	3.6
201.07179	0.3
205.04814	0.3
211.03821	0.3
215.03308	0.2
219.06477	0.6
228.04152	0.5
229.04916	8.4
230.05273	0.5
232.03732	0.4
239.03384	0.2
246.05304	0.2
247.06001	1.2
257.04379	4.5
258.04800	0.2
274.04703	1.3
285.03867	2.1
286.04340	0.3
302.30505	0.4
303.04932	100.0
303.23175	0.7
303.30743	0.3
304.05276	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	303.0493
Annotation	Quercetin
Peak:m/z	Relative Intensity
55.01862	0.2
55.05480	0.1
65.03915	0.7
67.01850	0.3
67.05480	0.4
68.52891	0.1
68.99766	1.6
69.07059	0.4
70.08993	0.7
79.05472	0.2
79.80698	0.2
81.03403	0.4
81.07034	0.5
81.67700	0.2
86.09686	0.4
91.05472	0.3
93.03374	0.5
93.07017	0.3
95.04953	0.8
95.08578	0.3
98.20837	0.2
103.05434	0.3
105.07012	0.5
107.04961	0.2
107.08583	0.2
109.02850	1.2
111.00772	1.7
111.04375	0.2
115.05426	0.2
119.01156	0.2
119.08600	0.2
120.08078	2.5
121.02843	1.7
121.10136	0.2
123.04387	0.7
123.11633	0.2
127.03893	0.5
129.06866	0.2
131.04865	0.3
133.02754	0.2
133.65289	0.1
135.04384	0.4
137.02306	6.5
137.03276	0.2
137.05905	0.8
137.13190	0.1
145.02856	0.2
145.06422	0.5
145.10077	0.2
147.11610	0.4
149.02330	0.8
153.01787	7.9
155.04832	0.7
161.05905	0.6
163.03882	1.2
165.01804	3.3
165.12749	0.1
166.02516	0.4
166.04964	0.2
173.05975	1.5
177.05490	0.2
179.03343	0.3
183.02852	1.5
183.04410	0.8
187.03857	0.6
191.03320	0.3
195.02884	0.5
198.09058	0.3
201.05431	3.6
202.05754	0.2
205.04950	0.4
211.03729	0.2
213.05371	0.2
215.03253	0.3
215.11685	0.2
219.02945	0.3
219.06491	0.5
228.04137	0.5
229.04915	8.1
230.05289	0.5
232.03604	0.2
239.03326	0.4
243.11295	1.0
245.04361	0.2
247.06004	1.1
257.04388	4.7
257.12741	0.2
258.04828	0.2
274.04736	1.4
275.05350	0.4
285.03870	2.1
285.12225	1.1
285.17004	0.3
303.04913	100.0
303.23029	0.5
304.01819	0.3
304.05267	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	303.0491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	0.1
55.01856	0.2
64.30176	0.1
65.03919	0.4
67.01863	0.2
67.05478	0.2
68.99445	0.1
68.99774	1.8
69.03399	0.2
69.65029	0.5
69.65440	0.2
72.39520	0.1
81.03383	0.6
83.01306	0.1
93.03384	0.7
95.04952	0.7
98.20658	0.1
105.03349	0.3
107.01229	0.1
107.04952	0.2
107.08555	0.1
109.02854	0.9
110.03703	0.2
111.00777	1.9
115.05390	0.1
116.77426	0.1
117.06999	0.3
121.02837	2.0
123.04427	0.6
127.03887	0.3
129.06946	0.1
131.04851	0.2
133.02837	0.1
135.04384	0.5
137.02310	6.7
137.03358	0.3
137.05876	0.1
138.02553	0.1
139.03806	0.1
142.87885	0.1
143.04874	0.1
145.02866	0.1
145.06459	0.8
147.04416	0.1
149.02322	0.7
149.05890	0.1
153.01794	9.3
154.02135	0.2
155.04868	0.7
155.06036	0.2
157.06479	0.1
159.04407	0.1
161.05972	0.6
163.03886	1.3
164.38448	0.1
165.01807	3.5
166.02634	0.5
173.05936	1.4
177.01842	0.2
177.05431	0.2
179.03311	0.3
183.02837	1.4
183.04390	0.8
184.05153	0.1
185.25879	0.1
187.03923	0.8
191.03314	0.3
191.06934	0.2
195.02841	0.4
201.05420	4.0
203.03279	0.1
205.04941	0.3
207.02821	0.2
211.03857	0.3
213.05453	0.3
215.03458	0.2
219.02916	0.2
219.06436	0.4
228.04227	0.4
229.04907	9.0
230.05257	0.2
233.04324	0.2
239.03366	0.3
241.56310	0.1
245.04402	0.1
246.05145	0.1
247.06007	1.4
257.04385	4.9
258.04745	0.1
267.02884	0.1
274.04700	1.3
275.05386	0.4
285.03867	2.2
303.04907	100.0
304.05264	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	303.049
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03943	0.1
55.01859	0.3
60.17371	0.1
65.03925	0.4
67.01851	0.3
67.05499	0.2
68.99780	1.6
69.00127	0.2
69.03414	0.1
69.36573	0.5
69.37003	0.6
81.03400	0.6
91.05501	0.1
93.03381	0.5
95.04943	0.8
97.02874	0.1
97.76971	0.1
103.05460	0.1
105.03368	0.2
106.61056	0.1
107.01338	0.1
107.04932	0.2
109.02856	0.9
111.00789	1.7
114.67531	0.1
116.23479	0.1
117.06989	0.4
121.02845	1.7
123.04415	0.7
127.03911	0.3
131.04893	0.3
133.02821	0.1
135.04388	0.5
137.02316	6.6
137.03366	0.3
139.05508	0.1
145.02812	0.2
145.06467	0.6
149.02330	0.7
153.01802	8.5
155.04884	0.9
155.05984	0.2
157.06503	0.1
159.04408	0.3
161.05965	0.6
163.03915	1.0
165.01807	3.6
166.02585	0.5
173.05968	1.3
177.05479	0.1
179.03340	0.2
183.02855	1.6
183.04424	0.6
187.03870	0.8
191.03351	0.3
194.01996	0.1
195.02904	0.3
201.05443	3.9
205.04970	0.4
207.02805	0.3
211.03850	0.2
213.05438	0.2
215.03415	0.2
219.02927	0.2
219.06497	0.5
228.04163	0.5
229.04935	8.3
239.03279	0.3
245.04512	0.2
247.05997	1.2
257.04407	4.8
263.78415	0.1
274.04697	1.2
275.05429	0.4
285.03891	2.1
286.04599	0.1
303.04935	100.0
304.05231	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.4
56.04995	0.2
57.51517	0.1
65.03927	0.3
67.01832	0.3
67.05481	0.4
68.99775	1.7
69.03417	0.2
69.07042	0.2
70.06576	0.3
71.53882	0.2
72.08129	0.2
77.03947	0.1
79.05476	0.2
81.03375	0.5
81.07053	0.3
82.43503	0.1
84.04487	0.2
84.08103	0.2
85.02866	0.2
86.09655	0.2
91.05434	0.3
93.03396	0.7
93.07021	0.4
95.04956	0.7
95.08566	0.2
101.31207	0.1
103.05475	0.1
105.03373	0.2
105.07017	0.3
107.04900	0.2
107.08593	0.1
109.02850	0.9
109.10164	0.2
110.07152	0.2
111.00778	1.6
111.04461	0.1
111.08038	0.2
115.05392	0.1
117.06973	0.5
118.06495	0.1
119.08533	0.2
120.08055	0.2
121.02839	1.9
121.10145	0.2
123.04410	0.9
123.11639	0.2
126.58363	0.1
127.03896	0.4
130.19914	0.1
131.04877	0.3
133.02826	0.2
133.06468	0.1
135.04388	0.5
135.08041	0.2
136.07574	0.1
137.02315	6.8
137.03362	0.3
137.05928	1.3
138.53395	0.1
139.03868	1.0
141.05434	0.2
145.02849	0.2
145.06445	0.5
147.04385	0.3
147.11639	0.1
149.02335	0.7
150.09172	0.2
153.01797	8.4
153.09073	0.4
154.02132	0.2
155.04832	0.8
159.04396	0.2
161.05948	0.7
163.03906	1.1
163.07617	0.1
163.11205	0.2
165.01808	3.5
166.02510	0.4
167.03438	0.2
171.02678	0.2
173.05931	1.2
177.01846	0.3
177.05461	0.3
179.03375	0.4
181.06415	0.2
183.02846	1.4
183.04399	0.8
185.05907	0.2
187.03882	0.8
191.03325	0.7
191.06900	0.2
195.02818	0.5
201.05432	3.6
201.97185	0.1
202.05765	0.2
205.04877	0.4
207.02939	0.2
211.03934	0.3
219.02782	0.2
219.06465	0.6
228.04132	0.6
229.04909	8.3
230.05205	0.5
233.04277	0.2
239.03322	0.4
245.04311	0.1
247.06050	1.0
257.04395	4.5
258.04813	0.4
274.04623	1.4
275.05469	0.3
285.03885	1.9
285.12299	0.4
286.04453	0.2
293.71478	0.1
303.04929	100.0
304.05267	5.6
312.85529	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	303.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48672	0.2
56.96546	0.2
57.53159	0.2
69.40662	0.5
69.41085	1.2
82.12101	0.2
87.21750	0.2
98.21464	0.4
98.97582	1.4
101.00851	0.9
116.20654	0.2
116.98579	1.3
117.45529	0.2
119.01899	4.7
120.01881	0.2
121.02808	0.2
134.99649	0.8
137.02939	1.4
140.98816	0.2
145.12164	0.2
153.00815	0.3
158.99867	0.5
169.55486	0.2
169.66986	0.2
177.00919	9.8
178.01015	1.1
179.00743	0.4
182.99811	0.3
193.04041	0.2
195.02003	0.3
200.02432	0.2
201.00896	0.6
203.00665	0.3
217.04037	2.0
218.03644	0.3
219.01961	18.2
220.02074	2.2
221.01717	1.4
225.00766	2.2
226.01048	0.2
242.03607	0.3
243.01910	7.0
244.02052	0.8
258.99841	0.2
260.04498	0.2
261.03000	100.0
262.03128	10.5
263.03134	1.0
279.00577	1.5
279.05957	0.3
279.98111	0.5
280.00937	0.7
284.04562	3.1
284.99713	1.7
285.04639	0.8
301.00983	0.2
303.00760	3.0
303.04343	3.2
320.98331	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.049
Annotation	Quercetin
Peak:m/z	Relative Intensity
54.80548	0.1
55.01851	0.3
62.50843	0.1
65.03909	0.3
67.01859	0.3
67.05485	0.3
68.99784	1.7
69.03399	0.2
70.70506	0.4
70.70873	0.3
79.05488	0.2
79.27761	0.2
81.03391	0.6
81.07046	0.2
86.09690	0.2
93.03374	0.6
93.06982	0.2
95.04937	0.7
97.02867	0.2
105.03397	0.2
109.02864	1.0
111.00777	1.7
119.39397	0.2
121.02853	1.9
122.05959	0.4
123.04385	0.7
127.03903	0.5
131.04924	0.3
135.04376	0.5
136.07526	1.4
137.02312	6.8
137.03365	0.3
137.05981	0.8
138.02718	0.2
145.06459	0.5
149.02275	0.5
150.58076	0.2
151.03876	0.2
153.01797	8.7
155.04916	1.1
159.04376	0.3
161.05966	0.7
163.03888	1.2
164.06978	0.9
165.01819	3.3
166.02528	0.4
173.05939	1.2
179.03316	0.3
182.08107	0.4
183.02843	1.4
183.04390	0.8
187.03835	0.7
191.03319	0.3
191.06961	0.3
195.02849	0.4
198.09138	0.3
201.05420	3.8
202.05711	0.2
205.04985	0.4
211.03831	0.2
215.03217	0.3
219.02861	0.3
219.06532	0.6
225.05522	0.2
228.04141	0.5
229.04904	8.3
229.08482	0.3
230.05283	0.3
239.03389	0.3
243.11284	0.8
247.05980	1.2
257.04395	4.4
258.04745	0.2
274.04578	1.2
275.05298	0.4
285.03894	2.6
285.12228	0.8
303.04916	100.0
304.05261	6.6
320.32864	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.1
55.01851	0.3
57.81614	0.1
61.03530	0.1
65.03928	0.4
67.01836	0.3
67.05480	0.2
68.99429	0.1
68.99776	1.8
69.03429	0.2
70.33661	0.5
70.53692	0.1
73.17426	0.1
75.07785	0.1
81.03397	0.4
85.72089	0.1
91.05463	0.1
93.03419	0.7
94.04276	0.1
95.04963	0.8
97.02850	0.1
105.03371	0.2
107.04888	0.1
109.02863	1.1
110.03618	0.2
111.00784	1.8
111.04425	0.1
115.05432	0.2
117.07010	0.3
121.02843	2.1
123.04393	0.7
127.03910	0.5
131.04880	0.4
133.02812	0.2
133.06389	0.1
135.04375	0.5
137.02312	7.1
137.03340	0.3
137.05923	0.2
138.02637	0.2
145.02835	0.2
145.06471	0.7
149.02299	0.7
153.01797	9.3
153.54533	0.1
154.02083	0.2
155.04906	0.7
155.06029	0.1
155.89154	0.1
159.04405	0.2
161.05978	0.6
163.03894	1.1
165.01799	3.4
166.02600	0.5
167.03421	0.1
173.02274	0.1
173.05937	1.4
173.32515	0.1
177.01703	0.2
177.05478	0.2
179.03278	0.5
183.02846	1.2
183.04382	0.8
184.05058	0.1
187.03891	0.9
191.03369	0.3
191.06818	0.1
195.02853	0.4
200.04620	0.1
201.05429	4.0
202.05881	0.2
205.04947	0.4
207.02829	0.3
211.03949	0.3
213.05420	0.2
215.03355	0.2
217.04967	0.1
219.02843	0.2
219.06618	0.5
228.04135	0.7
229.04909	8.6
230.05278	0.5
231.02739	0.1
232.03658	0.2
239.03349	0.4
245.04333	0.1
246.05211	0.2
247.06001	1.2
256.03772	0.1
257.04398	4.8
258.05069	0.2
274.04663	1.4
275.05356	0.4
285.03876	2.1
286.04492	0.2
303.04922	100.0
304.05249	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	302.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	3.1
55.01847	2.6
55.05504	7.5
57.03415	3.9
60.04530	1.3
61.02908	5.3
65.66452	1.1
67.05492	6.9
68.21656	1.1
69.03416	13.7
69.07040	4.9
69.88633	6.9
70.06579	12.5
71.04973	1.6
72.08140	64.6
73.02888	3.7
79.05473	6.3
80.05761	1.1
81.03400	7.5
81.07043	8.6
82.06556	4.1
84.04479	2.6
84.08121	8.9
85.02888	97.5
86.03239	1.7
86.09689	25.6
88.03970	4.4
91.05453	3.3
93.05762	1.3
93.07008	1.4
94.06536	2.4
95.04960	6.7
96.08077	1.2
97.02877	51.9
97.06533	2.1
98.09676	2.0
98.20888	1.5
99.04431	3.1
100.02170	1.9
103.03947	9.2
105.04499	1.3
105.06993	2.0
108.08101	14.0
109.02866	11.5
109.06467	3.7
110.06023	1.6
110.07093	2.0
111.04374	1.6
112.07558	2.3
115.03934	1.5
119.04893	1.5
120.08062	1.3
122.06014	8.3
123.04391	4.0
124.07574	2.2
125.06036	7.0
126.05497	7.6
126.09113	4.8
127.03894	18.6
128.07045	8.1
129.10185	2.3
130.06488	4.4
132.10172	5.1
136.07552	22.1
137.02350	2.0
137.05977	6.3
139.03864	2.3
140.07037	53.1
141.05440	1.3
142.08586	1.3
143.11774	34.5
143.12910	1.7
144.15474	1.2
145.04936	18.7
147.04391	3.2
150.09096	4.5
151.03873	7.4
152.07024	20.2
153.01807	2.1
154.08603	6.9
157.13293	7.2
161.05940	1.7
161.07259	1.2
162.05484	2.0
163.05975	5.1
164.07021	26.7
165.01770	1.4
170.05864	1.6
171.11249	19.8
178.08607	19.0
182.08092	100.0
183.08386	3.7
185.12918	2.7
185.16486	1.8
201.05374	1.7
201.12340	1.3
203.13797	2.2
206.08072	43.1
218.08054	4.6
229.04979	3.9
234.98816	1.8
236.09221	6.7
248.09152	10.5
256.09589	3.0
275.09238	1.6
302.10797	2.8
302.15729	5.6
303.04913	31.5
303.08585	7.4
303.13287	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	302.0268
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26100	11.1
64.78246	11.5
65.58308	11.7
71.51794	15.6
134.05969	23.1
136.61429	11.2
152.07034	77.8
164.07018	16.2
168.04907	13.6
173.19637	15.0
174.88628	14.5
189.03365	11.4
196.87715	15.8
270.54761	11.3
273.08972	49.2
301.95010	41.1
302.02567	100.0
302.11551	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	3.1
55.01847	2.6
55.05504	7.5
57.03415	3.9
60.04530	1.3
61.02908	5.3
65.66452	1.1
67.05492	6.9
68.21656	1.1
69.03416	13.7
69.07040	4.9
69.88633	6.9
70.06579	12.5
71.04973	1.6
72.08140	64.6
73.02888	3.7
79.05473	6.3
80.05761	1.1
81.03400	7.5
81.07043	8.6
82.06556	4.1
84.04479	2.6
84.08121	8.9
85.02888	97.5
86.03239	1.7
86.09689	25.6
88.03970	4.4
91.05453	3.3
93.05762	1.3
93.07008	1.4
94.06536	2.4
95.04960	6.7
96.08077	1.2
97.02877	51.9
97.06533	2.1
98.09676	2.0
98.20888	1.5
99.04431	3.1
100.02170	1.9
103.03947	9.2
105.04499	1.3
105.06993	2.0
108.08101	14.0
109.02866	11.5
109.06467	3.7
110.06023	1.6
110.07093	2.0
111.04374	1.6
112.07558	2.3
115.03934	1.5
119.04893	1.5
120.08062	1.3
122.06014	8.3
123.04391	4.0
124.07574	2.2
125.06036	7.0
126.05497	7.6
126.09113	4.8
127.03894	18.6
128.07045	8.1
129.10185	2.3
130.06488	4.4
132.10172	5.1
136.07552	22.1
137.02350	2.0
137.05977	6.3
139.03864	2.3
140.07037	53.1
141.05440	1.3
142.08586	1.3
143.11774	34.5
143.12910	1.7
144.15474	1.2
145.04936	18.7
147.04391	3.2
150.09096	4.5
151.03873	7.4
152.07024	20.2
153.01807	2.1
154.08603	6.9
157.13293	7.2
161.05940	1.7
161.07259	1.2
162.05484	2.0
163.05975	5.1
164.07021	26.7
165.01770	1.4
170.05864	1.6
171.11249	19.8
178.08607	19.0
182.08092	100.0
183.08386	3.7
185.12918	2.7
185.16486	1.8
201.05374	1.7
201.12340	1.3
203.13797	2.2
206.08072	43.1
218.08054	4.6
229.04979	3.9
234.98816	1.8
236.09221	6.7
248.09152	10.5
256.09589	3.0
275.09238	1.6
302.10797	2.8
302.15729	5.6
303.04913	31.5
303.08585	7.4
303.13287	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84480	0.5
53.03942	0.5
54.03460	1.0
55.01856	1.0
55.05498	3.4
56.05027	4.6
57.03408	1.1
59.04953	0.5
62.54276	0.5
65.03934	0.9
67.05483	3.9
68.05019	3.6
68.21935	0.5
68.99762	1.5
69.03384	0.7
69.07066	3.1
69.91221	3.0
70.06580	7.9
71.04959	2.3
79.05482	2.8
80.05005	4.1
81.07036	6.4
81.22183	0.6
83.04940	0.9
83.08569	1.0
84.08112	1.0
85.02873	0.8
86.09657	0.9
88.09489	0.5
91.05450	4.5
93.07039	5.2
95.04935	1.9
95.08575	4.8
96.04458	1.3
97.06496	1.3
98.06021	5.2
100.03951	5.7
102.05521	7.7
103.05423	0.7
105.03343	1.3
105.07001	4.6
107.04929	0.8
107.08582	4.4
109.02876	1.0
109.06494	1.2
109.10137	2.9
111.04438	0.6
111.07962	0.6
114.05502	5.6
115.05433	0.7
117.06982	1.3
118.06522	3.2
119.04890	0.9
119.08551	4.0
121.06480	2.1
121.10127	3.2
123.07957	0.7
123.11691	1.5
124.03961	1.1
129.06990	0.9
130.06500	11.2
131.04875	0.7
131.08533	2.5
132.04468	0.8
132.08066	9.3
133.06436	0.6
133.10121	3.3
135.08023	0.8
135.11671	2.2
137.05940	1.5
137.09561	0.9
139.07457	0.6
142.04936	1.9
142.06512	0.6
142.07779	0.6
143.07306	1.4
143.08519	1.2
144.08069	5.4
145.10083	2.9
146.05988	8.2
147.04300	1.1
147.08047	0.6
147.11652	1.6
149.05980	0.7
149.09579	0.9
149.13177	1.1
151.03925	0.5
152.06190	1.4
153.01787	0.6
153.06958	2.1
154.06406	0.5
155.08528	1.5
156.08095	2.9
156.10211	0.7
157.08823	1.3
157.10086	1.3
158.05988	6.8
158.09573	3.9
159.06747	0.6
159.08047	0.7
159.11671	3.2
160.07504	1.2
160.11156	3.9
161.05931	0.7
161.09587	0.7
161.13231	0.8
163.11139	0.9
165.06975	1.9
167.07214	2.3
167.08533	0.9
168.08006	3.5
169.07532	1.9
169.08800	1.0
170.05893	0.7
171.04402	0.8
171.06770	1.0
171.11641	1.5
172.07518	2.8
172.11166	4.2
172.88176	0.6
173.09581	0.6
173.13239	0.8
174.09102	0.7
174.12733	1.5
175.03827	0.6
175.08658	0.9
177.12758	1.4
180.08017	1.3
181.06360	3.1
181.08888	0.8
182.09616	1.3
183.04472	0.7
183.06612	0.7
183.09100	1.7
184.07510	0.8
184.09801	0.8
184.11186	5.6
185.08299	1.0
185.13210	1.1
186.09105	8.2
186.12755	4.5
187.14760	0.9
188.07043	4.6
188.10648	4.8
189.05440	1.4
193.01190	0.6
195.09245	2.5
196.09668	0.8
196.11270	3.2
197.05911	0.8
197.13132	0.7
198.06688	1.1
198.12720	1.2
199.14786	1.0
200.10677	4.6
201.16364	1.0
202.12314	1.3
203.11853	0.6
205.12131	0.6
208.11272	0.8
209.05904	1.2
210.12793	1.7
211.07498	0.6
211.14726	0.5
212.10622	9.2
214.08763	1.4
214.12236	8.7
215.08296	0.6
217.04933	6.7
221.11818	0.6
222.12720	1.7
223.14682	0.6
226.06175	2.1
227.15451	1.0
228.13951	0.8
229.09753	1.4
229.13351	1.9
231.11221	1.1
237.13777	0.9
239.15413	3.8
240.10158	1.3
241.08553	2.0
245.04414	6.6
251.06941	0.6
255.14890	7.8
255.20969	1.0
257.16461	2.1
258.11148	0.7
259.10757	5.6
266.11722	3.0
269.08188	0.7
269.17383	1.4
273.03870	7.3
283.14273	2.0
283.20554	1.3
284.12781	0.6
292.52963	0.6
301.03455	17.2
301.10358	13.5
301.15381	100.0
301.21387	9.6
302.03760	1.0
302.11191	1.2
302.15674	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1225
Annotation	Caffeoyl tyramine
Peak:m/z	Relative Intensity
53.03930	1.5
55.01854	0.4
55.05504	3.8
57.07054	0.4
65.03933	0.5
68.99772	1.5
69.03399	0.4
69.62163	2.3
70.06575	0.9
79.05460	1.0
81.07057	0.4
82.06557	2.3
83.04957	1.3
83.08621	1.7
84.08128	0.4
89.03889	4.1
91.05457	5.9
91.58096	1.0
93.07024	9.7
95.04946	2.3
95.08566	0.3
100.07587	0.9
100.10589	0.4
100.11240	6.2
101.05991	0.5
103.05451	7.3
105.04472	0.5
107.04936	1.7
110.05992	2.4
111.04414	1.6
112.07559	0.5
117.03354	5.9
119.08569	0.4
120.08058	0.8
121.06481	52.7
122.06802	0.5
125.51434	0.3
126.09110	0.5
128.07054	1.5
128.69252	0.3
135.04391	13.9
137.05905	0.4
138.09094	4.5
138.78416	0.3
141.11472	4.3
145.02814	10.8
147.04495	0.3
154.12254	0.7
155.11150	0.9
161.05917	0.4
163.03871	100.0
164.04190	1.2
169.11031	0.5
175.03888	0.4
180.06505	0.6
181.06482	0.4
182.15372	4.6
189.05421	1.7
199.03865	0.4
199.18030	1.3
203.03526	0.4
204.28310	0.4
204.66418	1.9
205.16559	0.9
209.16423	1.1
210.14836	3.9
217.04895	6.6
218.66183	9.3
219.16331	2.3
227.17496	0.9
228.15921	0.6
231.02655	0.3
233.68332	0.3
245.04393	6.2
255.11069	0.4
268.19550	0.7
273.03864	6.2
282.19379	5.1
282.69440	1.4
300.12259	32.7
301.03391	15.1
301.10553	1.3
301.13177	0.4
309.25195	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.18
Annotation	Lycopsamine
Peak:m/z	Relative Intensity
55.01858	3.2
55.05500	9.7
57.03438	1.9
57.07051	1.7
67.05231	1.4
67.05496	16.0
69.03412	2.4
69.07056	10.8
71.04950	3.6
71.05274	2.1
72.08121	2.6
75.73224	1.2
79.05492	8.5
81.07038	57.3
82.07357	1.4
83.04974	3.4
83.08605	5.7
85.06503	3.0
90.05538	100.0
91.05452	16.7
93.07027	12.9
94.07346	4.2
95.04953	2.4
95.08577	13.3
96.08913	2.9
97.06500	5.0
97.10155	1.5
99.08073	2.4
103.41273	1.5
105.07012	27.0
106.07332	1.6
107.08578	8.4
109.06486	6.4
109.10090	2.0
111.08011	1.3
119.08559	20.3
121.06458	1.8
121.10139	21.5
122.10450	4.4
123.08009	2.8
123.11673	22.0
127.07534	2.5
133.06459	1.5
133.10088	3.2
137.09665	2.0
137.13196	2.6
147.11661	49.3
148.11993	3.2
149.09581	1.4
165.12715	28.2
175.11084	2.0
176.48938	1.2
181.06357	2.1
183.13757	4.3
188.04210	1.4
197.73523	1.4
201.12900	1.8
206.49670	1.5
210.14809	4.8
217.04868	3.6
219.13730	5.5
229.14319	9.0
236.14130	2.7
236.16405	38.9
239.06892	1.6
241.08398	2.0
245.04408	3.2
254.17465	93.8
255.17838	2.9
257.08051	1.8
264.15884	2.9
273.03897	4.8
282.16943	52.9
285.07422	2.1
300.05887	3.1
300.09869	2.9
300.17935	3.2
300.26306	2.6
301.03387	14.3
301.10587	10.3
301.15375	3.2
301.21527	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	301.1178
Annotation	5-Nitro-2-(3-phenylpropylamino)benzoic acid
Peak:m/z	Relative Intensity
53.03934	0.4
55.01852	0.8
55.05493	0.4
65.03931	1.2
65.55543	0.3
67.05495	2.6
68.99784	0.4
69.03397	0.6
69.07054	0.4
70.01563	1.5
70.06573	0.6
71.04976	0.5
79.05472	0.9
80.04978	0.4
81.03411	0.5
81.07041	1.7
82.02921	0.4
85.06524	0.4
86.09668	0.3
91.05469	1.4
92.04997	2.0
93.07021	1.5
94.06553	0.7
95.04951	1.0
95.08603	1.0
105.03422	0.3
105.07017	1.7
106.06532	0.6
107.08569	1.0
108.08028	0.3
109.02798	0.3
109.10136	1.3
110.05995	0.4
115.05424	0.5
119.04910	0.5
119.08539	1.4
120.04465	2.1
121.06496	0.6
121.10137	0.6
122.05997	1.3
123.11703	0.6
128.06187	0.6
129.06985	0.6
130.06514	0.6
131.08488	0.7
132.07959	0.4
133.10101	1.0
134.05981	0.4
135.11658	0.4
136.07564	2.1
137.05934	0.5
141.06947	0.7
143.08496	0.7
144.08098	0.8
145.06541	0.3
145.10095	1.0
146.06010	0.5
147.11636	0.6
148.03874	0.5
149.09595	0.4
149.13274	0.4
152.06216	0.8
153.01816	0.3
153.06970	1.3
154.06468	0.4
154.07726	0.6
155.07324	0.4
155.08554	0.7
156.08061	0.6
157.08902	0.4
157.10150	0.9
158.05977	0.4
158.09673	0.4
159.09186	0.8
159.11682	0.9
161.07121	0.5
162.05482	1.6
163.11143	0.4
165.06970	1.2
167.07249	1.9
167.08620	0.7
168.08028	1.1
169.07599	0.6
169.08842	1.2
169.10123	0.6
170.08374	1.2
170.09608	1.0
171.04262	0.4
171.10397	0.5
172.07518	0.5
172.11220	0.4
172.69458	0.3
173.07056	0.4
173.08347	0.5
173.13278	0.3
174.09062	0.4
175.04031	0.3
175.07558	0.9
177.09077	0.5
181.06299	1.6
181.08844	0.7
182.09644	3.0
183.06717	0.7
183.09196	1.7
184.07549	1.1
184.09814	2.8
184.11433	1.5
185.07089	0.6
185.10689	1.1
186.09135	0.9
187.08734	2.5
189.05414	0.7
192.08110	0.5
195.09271	0.5
196.07539	0.8
197.06999	1.9
197.08430	1.1
197.10672	0.4
198.06320	0.5
198.07814	3.3
198.09219	1.0
199.08586	0.9
199.12276	5.9
200.10712	1.0
209.10670	0.8
210.09120	6.0
210.10954	0.5
211.08633	5.3
212.09250	10.8
213.06754	0.6
213.10220	5.6
217.04951	3.4
222.07787	0.4
223.08617	0.7
225.06596	2.5
225.10257	1.1
226.07343	4.7
226.10995	1.0
227.08084	1.0
227.11758	25.5
228.12160	0.6
229.09633	0.5
237.10173	2.2
238.08592	2.5
239.08142	2.5
240.08876	13.8
241.09697	21.9
242.09882	0.7
245.04457	3.1
253.09576	0.6
254.10480	1.1
255.11240	100.0
256.11584	3.2
257.12808	3.4
263.80099	0.4
269.07983	0.4
273.03873	3.0
273.12280	0.6
274.04166	0.4
283.10730	37.9
283.20502	0.7
284.10986	1.0
301.03461	8.2
301.11801	29.9
301.15222	1.5
301.21466	2.5
302.03735	0.7
302.12000	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.7
55.01855	2.8
55.05546	0.7
55.43808	0.6
67.05504	2.0
69.03432	1.3
69.07059	74.8
70.02999	0.6
70.06582	26.0
70.67431	1.4
70.67753	0.7
72.08156	1.7
73.78527	0.6
81.03407	0.6
81.07033	0.8
84.04488	1.6
84.08124	3.1
85.02908	0.8
86.09685	3.5
88.03983	4.7
91.05476	1.3
94.08427	0.6
95.04945	6.4
97.02889	2.0
97.06522	6.8
102.05547	0.8
110.06025	0.6
110.07172	0.9
112.07585	24.3
115.07572	0.6
116.07064	2.4
119.04897	0.8
121.10039	0.7
122.06012	1.2
123.04428	3.2
124.07590	0.9
126.05443	0.6
129.10233	1.3
130.06496	1.0
134.05968	0.6
136.06172	0.7
136.07561	0.7
137.05916	3.2
138.05461	2.1
140.07043	85.3
141.05432	2.5
141.07347	1.1
149.00548	1.0
149.06024	0.7
150.05527	0.7
157.07541	1.5
157.09647	0.7
157.13336	0.8
162.05479	2.0
167.06989	1.0
168.06532	100.0
169.04932	8.7
169.06482	0.8
169.06842	0.7
179.05490	0.6
179.06914	1.2
180.07338	2.6
187.07295	0.5
193.03165	1.1
196.04251	0.9
196.09787	0.6
202.91489	0.6
224.09735	0.7
254.10150	6.3
282.09714	48.8
283.09976	1.0
285.06677	0.6
300.05899	1.1
300.08694	1.0
300.09518	1.3
301.06750	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1073
Annotation	anthraniloyl-O-glucose
Peak:m/z	Relative Intensity
56.05022	0.3
56.96542	0.4
57.03428	0.3
58.06589	0.3
59.04980	1.1
60.04505	0.3
61.02911	0.4
67.05492	0.5
68.05006	0.5
69.03386	0.2
69.07049	2.0
70.06577	4.6
71.48679	0.5
72.08137	1.1
72.17402	0.3
81.03410	0.3
84.04487	2.3
84.08134	1.9
85.02891	0.7
86.06046	1.1
86.09688	2.6
88.02188	1.0
88.03958	0.9
89.06006	0.9
91.05453	0.4
92.04981	0.4
94.06550	1.7
95.04964	0.6
95.06075	0.3
97.02872	0.5
97.06523	0.3
100.07588	0.7
102.05524	0.8
103.05450	1.1
103.07538	0.6
105.07025	0.3
107.04906	0.5
110.06030	1.4
110.07179	0.8
112.07569	1.0
114.05512	0.5
116.07079	0.7
119.04961	0.4
120.08105	0.6
121.06488	0.5
121.08597	3.1
122.06029	0.3
122.19286	0.3
124.07565	0.2
129.10222	0.6
130.04990	0.7
130.08653	0.3
131.04900	2.4
133.06462	0.4
134.02672	0.5
134.60367	0.3
136.05185	0.4
136.06180	1.4
137.05919	0.5
138.05475	100.0
139.05812	1.3
140.07054	1.9
147.04393	0.8
148.06049	0.6
150.05533	0.4
151.02087	0.6
152.06998	0.4
157.09679	0.7
163.03929	0.3
163.07510	1.3
168.06471	2.0
176.07095	0.3
178.00870	0.3
179.01553	0.7
179.06941	0.3
180.82951	0.2
185.09189	0.5
193.03169	0.8
197.07497	0.3
197.12839	0.5
199.14493	0.3
204.06541	0.4
213.05833	0.5
213.12302	0.4
222.07578	0.7
226.15468	0.4
254.13974	0.3
282.09940	1.3
300.06009	0.6
300.10614	2.4
300.14255	0.8
300.26349	0.4
301.03024	0.4
321.31406	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.0897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.7
55.05487	0.6
56.05010	0.5
56.96556	1.3
57.03427	0.6
58.99557	0.9
59.04960	0.6
60.04512	0.5
63.00726	0.4
64.83158	0.3
67.05471	0.7
69.03399	0.7
69.06789	0.3
69.07058	3.8
70.02931	0.8
70.06209	0.4
70.06580	5.8
71.04970	0.5
71.51118	0.4
72.08138	3.1
73.02896	0.3
74.00654	0.5
76.02187	0.6
76.86105	0.3
79.05447	0.7
81.03404	0.4
84.04482	1.5
84.08132	5.3
85.02899	2.1
86.06049	0.4
86.09679	1.6
86.99025	0.5
88.02219	1.9
88.03976	4.8
89.03895	0.6
91.05450	1.8
95.04987	0.7
97.02892	0.9
98.97571	0.8
100.07594	1.2
102.05492	0.5
103.05468	1.0
105.00033	0.6
105.06992	0.4
107.04929	0.6
109.01065	0.4
110.06023	0.5
110.07116	1.4
112.07575	1.7
114.05497	0.4
116.07077	0.8
116.98601	0.7
118.06498	0.6
119.01910	1.1
119.04939	1.1
120.08085	0.4
121.01067	1.1
121.06469	1.2
121.08559	0.7
122.02692	1.0
123.02672	0.4
123.04386	1.0
124.03943	2.1
126.09138	0.4
129.10217	0.9
130.05040	0.6
130.08653	1.6
131.04924	2.1
133.01033	2.1
133.06448	1.1
134.02667	1.2
134.05936	0.8
135.02605	0.8
135.04364	0.7
136.06187	3.7
136.07133	0.5
136.07475	0.3
137.05933	7.9
138.05478	11.1
138.06532	0.7
138.09103	0.8
138.21455	0.5
140.07045	3.3
141.05415	0.9
145.03416	1.4
146.03607	1.2
146.05969	1.7
146.78352	0.4
147.04353	2.8
148.04782	0.4
149.00526	8.9
149.05931	0.5
150.01347	2.9
150.05438	2.1
151.02075	1.8
151.07506	0.5
158.99638	0.5
161.00529	4.9
161.05930	2.0
162.05466	2.0
162.06750	1.0
163.02124	1.4
163.07523	0.7
164.08240	0.4
165.05563	0.4
166.07233	0.8
168.06497	5.9
169.04968	0.6
171.14841	0.5
173.02893	0.8
177.00682	0.5
177.05481	0.6
177.07832	4.4
178.00803	12.2
178.08447	0.5
179.01492	1.3
179.03329	0.7
179.07011	0.5
181.03101	3.0
185.09280	0.5
191.03992	0.7
193.03157	100.0
194.03453	2.9
195.01105	2.2
195.04721	0.6
203.05757	0.4
204.04915	0.7
205.05441	0.4
226.85875	0.4
234.13814	0.4
236.07262	0.5
250.05237	1.7
265.05417	0.4
270.07907	1.5
282.07584	5.5
282.12650	0.5
300.05820	0.7
300.10541	2.8
300.14133	0.8
300.15161	0.7
300.19644	0.5
300.26370	1.5
301.03198	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.0236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54623	0.6
54.98563	0.5
56.96492	4.5
69.97028	1.3
69.97446	2.2
70.95801	0.9
71.95200	0.7
72.92027	0.5
77.29162	0.5
83.04906	0.6
87.84623	0.5
97.48040	0.5
98.20831	0.6
98.97563	60.0
98.98182	2.1
98.98492	1.7
116.98601	52.1
119.01814	2.0
120.01910	1.3
122.03361	0.6
134.99629	27.6
137.02867	0.7
140.00064	1.7
153.00641	4.5
155.06937	1.5
156.07358	0.8
158.01118	1.7
162.06711	0.9
164.04573	0.8
165.05984	0.6
170.07248	0.7
176.02423	0.5
176.08229	1.7
177.00848	0.7
179.00647	1.5
179.12892	0.5
185.06487	0.7
186.06801	0.7
188.08260	1.1
190.06201	1.5
210.95799	2.1
212.04643	1.1
219.01990	9.0
220.01952	1.6
221.01790	1.9
227.00343	0.6
230.05821	0.6
234.95824	1.3
234.99780	1.0
235.03278	0.8
240.98640	4.6
252.96901	3.6
256.07428	0.8
256.10895	1.1
258.03275	0.8
258.08875	1.1
258.99701	48.9
259.99857	3.0
261.02948	0.9
263.02713	3.6
267.95642	1.8
275.97894	0.6
276.04147	0.9
276.97137	5.1
277.00745	100.0
278.00885	5.7
282.01288	2.1
282.99976	2.6
294.97934	4.6
295.01758	1.6
299.98129	0.9
300.02353	3.0
300.09888	18.2
301.01038	7.7
301.09674	0.6
317.98865	1.9
318.06924	0.9
318.10974	2.4
318.98590	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.0894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.4
55.01849	0.9
55.05479	0.5
56.05010	0.7
56.96545	1.5
57.03424	0.9
58.99569	0.8
59.04961	0.9
59.92670	0.4
60.05629	0.4
61.02897	0.4
65.03915	0.5
65.66761	0.4
67.05479	0.7
67.26475	0.4
69.03394	1.4
69.07062	3.7
69.63172	1.6
69.63593	1.3
70.02940	0.9
70.06579	6.5
70.07364	0.4
71.04959	0.5
72.04484	0.5
72.08144	3.5
73.02902	1.1
74.00660	0.8
76.02210	0.6
81.03376	0.9
81.07056	0.6
84.04480	1.6
84.08132	6.2
85.02880	2.3
85.06529	0.6
86.06057	0.5
86.09689	1.7
86.99020	0.7
88.02184	1.6
88.03984	5.3
91.05445	1.8
94.06557	0.5
95.04936	1.1
95.06012	0.4
95.08549	0.4
96.04412	0.5
97.02873	1.1
98.06055	0.6
98.97559	1.3
100.07597	2.0
102.05546	0.5
103.05446	0.7
103.07569	0.7
105.00102	0.4
105.03370	0.5
107.04907	0.5
110.05995	0.8
110.07164	2.0
110.07782	0.4
112.07570	1.8
114.05527	0.7
116.07061	1.0
116.98598	0.9
118.06529	0.4
119.01867	1.5
119.04922	1.1
120.01132	0.6
120.08115	0.9
121.01070	1.7
121.06461	1.7
121.08581	1.3
122.02698	0.9
123.04373	0.9
124.03920	2.6
124.07553	0.8
127.02276	0.5
127.03869	0.8
129.10226	1.1
130.05002	0.6
130.08612	1.6
131.04927	1.9
132.01009	0.4
133.01089	2.1
133.06471	0.7
134.02696	1.5
134.99643	0.6
135.04382	1.3
136.03972	0.6
136.06158	4.6
136.07510	0.6
137.05945	8.5
138.05470	12.1
138.06512	0.6
138.09122	1.3
139.03909	0.5
140.03419	0.5
140.07039	4.2
141.05429	0.8
145.03505	2.9
146.03607	1.0
146.05963	1.5
147.04366	3.6
149.00522	9.3
150.01385	2.6
150.05472	2.8
151.02080	1.4
151.07567	0.7
152.07034	0.8
157.09755	0.9
158.07957	0.4
161.00499	5.4
161.01617	0.5
161.02937	0.7
161.05910	2.8
162.05457	1.6
162.06648	0.9
163.02072	1.9
163.04507	0.6
163.07515	1.0
164.08264	0.6
165.07817	0.8
166.07251	0.9
168.05142	0.8
168.06490	6.4
168.07780	0.5
169.04932	0.6
171.14894	0.6
175.04451	0.6
176.07040	0.4
177.00740	1.0
177.07817	5.0
178.00810	12.6
178.08525	1.1
179.01527	1.2
179.03337	1.0
179.06892	0.5
180.06425	0.5
181.03162	3.7
184.16949	0.5
185.09238	0.6
186.04385	0.5
188.07660	0.5
191.03990	0.9
193.03159	100.0
194.03491	3.1
195.01114	1.2
195.04695	0.6
210.06316	0.4
211.00700	0.5
212.03793	0.8
235.01216	0.5
236.07265	0.6
241.12051	0.6
250.05290	0.7
253.05362	0.6
254.14952	0.5
256.06561	0.5
259.02835	0.4
265.05295	0.7
270.07895	1.4
277.04709	0.6
282.07489	5.5
282.12943	0.8
300.05661	0.7
300.10559	4.2
300.14694	1.1
300.19302	0.9
300.26382	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	299.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.0
55.01867	5.7
55.05485	4.2
56.25930	0.9
56.89942	0.9
57.03427	8.0
65.03917	1.1
67.05491	6.6
69.03416	21.4
69.07034	1.5
70.68430	1.0
70.68767	3.0
71.01334	11.6
71.04958	2.3
72.08123	1.4
75.04465	8.7
75.14437	1.0
79.05474	12.1
81.03385	3.1
81.07042	9.1
85.02886	13.4
87.04466	5.0
91.05462	16.5
93.07025	100.0
94.07362	3.2
95.04939	7.8
95.08584	15.3
97.02875	16.2
97.06487	2.6
99.04441	2.1
100.07607	1.2
103.05450	1.5
105.07020	11.5
107.04913	1.7
107.08539	5.7
109.06489	2.2
111.04393	1.4
111.08057	9.1
115.03905	15.4
115.05436	1.1
116.06163	1.1
119.08556	19.0
120.08919	1.2
121.06480	6.5
121.10120	79.0
122.10474	2.6
123.04355	1.2
123.08061	4.5
123.11674	1.4
125.05981	1.4
129.07011	1.5
131.08540	8.6
133.10120	2.5
135.08047	1.2
137.05960	6.7
139.11163	6.9
145.10103	1.6
147.07985	4.3
147.11580	1.2
149.05940	3.7
149.09578	17.0
150.09990	1.1
151.07544	1.4
157.09996	2.0
161.09596	3.0
167.06984	2.2
167.10655	13.6
169.04915	3.1
171.11726	0.9
175.11137	1.6
181.10075	1.1
185.09506	1.6
187.11189	1.3
199.11153	2.1
203.10684	3.9
217.12209	1.2
227.10568	2.1
245.11673	2.4
246.11792	1.4
263.12787	1.7
281.13776	7.1
299.14822	6.7
299.28857	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34688	0.4
58.06588	0.9
69.07046	0.5
69.82685	2.8
69.83029	0.4
70.06574	2.7
72.04498	4.3
72.08141	100.0
73.08498	1.2
81.07038	0.4
84.08115	3.8
91.05487	0.9
93.06953	0.4
98.09678	1.2
100.07597	80.3
101.07945	1.4
110.09652	1.9
112.07558	0.7
113.26988	0.4
114.09192	1.2
120.08062	0.5
121.06528	0.6
124.05089	0.4
136.06158	2.5
137.02235	0.4
137.05951	1.2
140.14307	1.9
142.15904	1.8
157.13318	3.2
168.17453	2.2
169.13345	0.8
170.62540	0.5
171.14902	17.8
182.19008	24.4
183.19505	0.6
187.21706	1.0
210.18452	2.3
212.20035	1.2
227.21117	9.3
229.22751	1.7
281.25790	1.7
298.10989	0.8
298.28470	70.9
299.12595	0.9
299.28772	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	297.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97643	2.1
52.24418	2.0
53.03932	3.5
55.01865	3.4
55.05500	13.5
57.03411	5.9
57.07070	4.7
65.03928	2.2
65.19041	2.0
67.05495	74.0
69.07059	12.6
69.40366	9.4
69.40800	11.0
72.08123	7.7
79.05479	65.7
81.07042	60.2
83.08580	8.5
85.06522	7.0
85.10173	5.2
91.05462	40.5
93.07029	87.2
95.04932	7.9
95.08596	69.2
97.06506	10.3
97.10139	4.5
99.08065	5.5
100.07584	4.3
105.04459	2.7
105.07027	27.1
107.07870	4.3
107.08581	68.5
109.06490	5.9
109.10132	19.7
111.08061	5.1
113.09599	8.4
117.06986	15.0
119.08554	30.7
121.09321	4.1
121.10130	63.1
123.08041	7.7
123.08873	2.4
131.08527	38.4
133.10086	9.8
135.11661	10.8
136.06171	15.2
145.10091	40.4
147.11620	4.6
157.10004	2.1
159.11642	14.0
161.13202	4.0
163.14819	3.0
171.11667	2.5
177.16370	10.3
187.14793	100.0
188.15215	3.2
189.16368	6.7
193.59378	2.4
205.15849	60.6
223.16924	3.3
261.22028	3.8
279.19479	23.3
279.23160	11.7
297.22403	9.0
298.28552	3.7
299.06198	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0906
Annotation	Alfalone
Peak:m/z	Relative Intensity
51.02388	0.2
53.03935	0.5
55.05498	0.4
57.07045	0.2
59.69811	0.1
65.65799	0.2
67.01865	0.2
67.05486	0.6
68.99777	0.3
69.03412	0.4
69.07040	0.6
69.85018	1.0
70.06577	0.3
71.04982	0.4
72.08132	0.8
79.05475	1.1
81.03380	0.4
81.07039	0.8
83.08594	0.3
84.08121	0.5
84.12572	0.2
85.02890	0.2
88.04709	0.2
91.05463	0.6
93.07034	0.7
95.04954	1.2
95.08568	0.8
98.09653	0.2
99.04435	1.0
100.07571	0.9
102.09147	0.3
105.04493	0.4
105.07004	2.3
107.04931	100.0
107.08569	0.6
108.05247	1.6
109.10120	0.5
111.08051	0.3
119.08561	0.5
120.04475	0.2
121.02828	0.5
121.06472	0.3
121.10147	0.5
123.08044	0.4
125.05967	0.3
127.03906	0.2
133.06476	0.2
133.10109	2.2
136.06137	0.2
137.02345	0.2
137.05902	0.4
141.06918	0.2
143.08502	0.3
147.04321	0.3
147.08008	0.2
153.01828	0.4
158.48363	0.2
161.05939	0.2
161.09566	1.8
163.11188	0.5
165.01796	0.2
169.04906	0.3
172.13258	1.1
179.10590	1.1
189.09091	0.5
192.04144	1.3
193.04921	35.7
194.05226	0.7
197.13155	0.2
207.10098	0.4
253.14339	0.6
262.65356	0.2
267.10199	0.2
275.19803	0.2
281.13766	0.7
299.09055	68.2
299.26572	0.5
300.09393	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.114
Annotation	Nelarabine  
Peak:m/z	Relative Intensity
55.01848	0.3
55.05509	0.3
56.96525	0.2
57.03408	0.3
57.04544	0.4
59.04983	0.5
60.04500	0.6
61.01129	0.4
61.02930	0.3
69.03397	0.3
70.06560	0.9
71.10476	0.6
72.08137	0.9
76.04028	0.2
82.69396	0.2
84.08129	1.3
85.02880	0.5
88.03964	0.3
91.05457	0.2
95.06073	0.9
97.02891	0.3
100.07560	0.3
101.06000	0.6
105.03357	0.3
106.03699	0.3
106.05011	0.7
109.05104	0.5
110.03539	0.5
110.07129	0.6
115.03947	0.2
119.07079	0.4
128.04529	0.4
135.03020	0.2
136.06161	11.1
136.07390	0.5
139.57191	0.2
140.07069	0.3
148.08601	0.3
149.04570	4.2
152.05678	1.9
152.06932	0.4
153.04060	1.9
162.44604	0.2
163.04124	0.2
163.08574	0.3
164.08974	0.5
166.07214	100.0
167.05624	6.4
167.07506	1.3
168.07701	0.6
178.09735	0.4
179.06982	0.3
193.04248	0.6
193.10809	1.0
231.65863	0.4
239.11301	2.6
298.09662	0.4
298.11536	0.3
298.14615	1.9
298.17926	1.3
299.06424	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0963
Annotation	5'-Deoxy-5'-Methylthioadenosine
Peak:m/z	Relative Intensity
56.95895	0.1
61.00837	0.3
61.01139	4.8
62.12915	0.1
63.38918	0.1
69.03417	0.3
69.26408	0.2
69.97902	0.8
70.06579	0.2
72.08159	0.2
74.35593	0.1
75.02693	2.3
94.04050	0.3
97.02886	1.4
103.02175	0.4
119.03536	0.5
123.33763	0.1
134.04500	0.1
136.06160	100.0
137.04558	0.2
137.06616	1.5
138.05446	0.2
145.03165	1.7
163.04239	1.3
166.04930	0.3
208.41382	0.2
298.09625	6.2
299.09937	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
55.01861	1.0
55.05504	1.3
56.05041	2.0
57.03414	0.4
57.07069	0.6
58.99585	0.6
59.04990	7.1
61.01131	2.2
67.05489	1.4
67.41977	0.4
69.03408	1.6
69.07055	1.5
70.06574	3.5
71.04985	0.5
71.10684	1.0
72.08147	3.2
73.02908	0.9
73.06541	0.7
73.08474	0.4
74.00649	0.8
75.02714	0.5
75.05592	0.7
79.05475	1.7
79.70379	0.4
81.03404	0.9
81.07043	1.5
83.04996	0.5
83.06094	0.5
84.04492	2.8
84.08130	4.8
85.02895	1.1
85.06519	0.9
86.09692	10.0
86.10192	0.3
87.04456	2.2
87.10016	0.4
88.02193	0.4
88.03975	0.9
89.06015	62.0
90.06327	0.4
91.05428	3.6
93.07027	3.6
95.04952	0.9
95.08583	0.8
96.08110	0.9
97.02868	1.0
100.07608	1.6
101.07124	0.7
102.00083	2.0
102.05504	0.6
103.05454	5.1
103.07576	2.4
104.05312	2.3
105.03373	0.5
105.06999	1.6
107.04945	0.8
107.07055	2.6
107.08569	0.6
109.02832	0.5
109.06480	0.8
109.10164	0.7
110.07115	1.4
116.07078	0.6
117.03351	0.4
117.06979	0.8
118.06498	0.4
119.04892	0.9
119.08523	1.8
120.01131	1.2
120.08080	100.0
121.06487	1.0
121.08413	3.6
121.10120	0.5
123.04401	0.6
123.08038	0.7
124.07589	0.5
127.03919	0.5
129.07013	0.4
129.10216	2.3
130.04979	1.2
130.08609	1.7
131.04890	0.8
131.07045	0.6
131.08568	1.6
132.01180	0.7
133.03156	1.6
133.08578	30.7
134.04488	0.8
134.05995	0.4
134.08916	0.4
135.08002	1.4
136.06160	30.8
137.05952	0.8
138.09108	0.9
145.02878	1.4
145.06436	0.4
145.10120	0.7
146.05940	0.7
147.04315	0.6
147.08029	1.3
147.10129	0.8
147.11284	0.7
148.00600	2.4
148.07532	0.4
150.05820	6.7
150.07710	0.4
151.07552	1.5
151.09625	2.9
153.01791	1.6
153.09058	0.6
158.09604	0.6
163.04047	0.5
163.07492	0.7
164.09276	1.6
165.09525	1.7
165.12833	0.4
166.08604	1.4
169.06120	0.5
173.09515	0.5
174.02121	0.5
175.07484	1.6
176.08006	2.3
177.05463	4.2
177.09068	0.5
177.09753	0.4
177.11241	5.6
186.08786	0.5
193.06525	0.4
194.07176	0.9
195.12299	2.6
203.11749	1.4
207.08011	0.5
233.16446	1.2
237.08986	1.1
239.14841	18.1
240.15176	0.5
249.12384	0.4
251.12138	1.2
257.16022	0.5
258.14520	0.5
261.14749	0.9
265.08585	1.3
279.15976	0.8
280.11957	0.8
297.12436	3.3
297.18472	2.6
297.22223	1.0
297.27002	1.2
298.10739	2.6
299.06036	1.5
308.27896	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1262
Annotation	H-Phe-Met-OH
Peak:m/z	Relative Intensity
53.03928	0.2
55.01854	0.3
55.05501	0.2
56.05024	1.6
56.96517	0.2
57.07063	0.2
59.04973	0.3
61.01143	1.0
64.42957	0.1
67.05489	0.3
69.03409	0.6
70.06572	0.9
70.44676	0.2
70.45004	0.4
71.04972	0.3
72.08142	0.9
73.08466	0.3
74.00665	0.4
77.03927	0.2
78.03260	0.2
79.05502	0.8
81.03397	0.3
81.07043	0.5
82.06559	0.3
83.04980	0.3
84.04478	0.9
84.08123	1.6
85.02899	0.4
86.09694	1.6
87.02637	0.3
87.04453	0.4
89.06017	1.8
91.05456	1.9
93.07027	2.4
94.06573	0.2
95.04967	0.6
95.08549	0.3
97.02872	0.3
100.07603	0.4
102.00107	0.7
102.05541	0.4
103.05450	4.9
104.05309	3.0
105.03358	0.5
105.07018	0.4
107.07069	0.2
107.08586	0.5
109.06522	0.3
109.10104	0.3
110.07127	0.6
117.06995	0.4
118.06504	0.2
119.04956	0.2
119.08551	0.6
120.08086	100.0
121.06465	0.3
121.08416	1.8
123.04403	0.3
123.08032	0.2
129.10207	0.5
130.05035	0.5
130.06490	0.2
130.08649	0.2
131.04926	0.3
131.08586	0.3
132.01132	0.2
133.03185	2.0
133.08575	1.0
133.10074	0.2
135.08057	0.9
136.06165	3.6
136.07268	0.3
137.05968	0.3
145.02853	0.4
146.06026	0.2
147.08002	0.3
147.11272	0.2
148.00623	0.5
150.05823	7.7
150.07614	0.9
151.03978	0.2
151.07515	0.3
151.98712	0.2
153.01746	0.2
153.08987	0.2
155.08240	0.2
158.09659	0.5
159.08087	0.2
159.11728	0.2
163.07489	0.3
165.06776	0.2
174.02185	0.2
175.07433	0.3
176.08101	0.2
177.05511	1.0
177.09100	0.2
180.05382	0.2
183.07669	0.2
193.08623	0.2
203.11790	1.4
203.67918	0.2
221.57658	0.2
222.06786	0.2
224.08138	0.2
237.09061	0.4
239.14839	0.4
249.12321	0.5
251.09630	0.2
251.12068	1.0
265.08536	0.5
266.99994	0.2
280.09164	0.3
283.03036	0.2
297.12671	5.2
297.18085	0.8
297.21826	0.3
297.27155	0.4
298.12827	0.2
299.06058	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.4
53.21063	0.8
55.01861	9.5
55.05514	5.0
55.49796	0.8
57.03432	4.3
65.03919	2.8
67.05498	7.8
69.03416	41.2
69.07042	3.2
71.01341	10.3
71.04970	2.8
71.11373	2.5
72.08144	4.1
73.02892	2.3
79.05484	13.3
81.03391	3.8
81.07043	7.4
82.75715	0.9
83.04951	1.6
83.08582	0.9
84.08128	1.1
85.02892	19.4
87.04453	3.9
91.05466	56.8
93.03390	4.2
93.07027	56.9
95.04957	8.2
95.08590	12.1
97.02876	33.5
97.03510	1.6
97.06555	0.9
98.61410	1.0
103.05441	4.2
104.06241	1.6
105.03378	1.5
105.07012	10.5
107.04948	5.4
107.08568	6.9
109.02853	1.3
109.06490	3.2
109.10169	5.3
111.04399	2.0
111.08068	1.2
111.11746	1.1
115.03915	21.8
115.05428	2.8
117.07000	19.3
119.04929	1.6
119.08562	100.0
120.08887	2.3
121.06477	5.1
121.10131	3.6
123.04415	1.9
123.08031	4.5
123.11679	1.2
128.06212	2.9
129.06982	9.8
130.12247	1.6
131.08548	3.3
133.06438	1.6
133.10112	1.6
135.08022	6.8
135.11661	0.9
136.06165	3.8
137.06010	1.4
137.09598	10.2
141.06940	1.4
143.08531	1.6
145.06412	2.5
145.10138	1.6
147.08023	56.6
147.11687	1.8
148.08357	1.2
149.09552	0.8
154.52130	0.9
157.10141	1.6
159.08012	1.8
161.09566	1.6
163.07578	2.4
165.06952	1.2
165.09091	23.8
169.10141	1.7
171.07961	1.5
171.11653	1.2
173.09583	2.0
175.11118	1.3
179.08530	1.0
181.08630	1.2
183.10149	4.5
185.09610	1.9
189.09120	1.1
197.09547	1.5
203.10641	1.4
205.06531	1.0
222.06738	1.2
231.10172	2.7
237.09119	2.0
243.10059	1.8
260.02924	0.8
261.22116	1.1
265.08514	2.2
279.12302	4.0
279.23044	1.3
297.07574	2.0
297.10855	3.0
297.13293	6.4
297.25330	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	296.2215
Annotation	Stemaphylline N-oxide
Peak:m/z	Relative Intensity
51.83308	0.3
55.05492	1.2
56.05013	0.4
57.07069	6.6
62.23885	0.3
67.05492	2.9
68.05009	0.5
69.03413	0.8
69.07033	1.8
69.37779	2.0
69.38203	1.1
70.04061	0.8
70.06194	0.6
70.06577	9.0
71.04964	0.5
71.08618	7.6
72.08125	1.4
79.05464	1.3
80.04995	0.9
81.07050	5.2
83.08605	0.7
85.06526	0.5
85.10168	4.6
91.05424	0.5
92.81313	0.3
93.07024	1.5
94.06541	0.8
95.04935	0.4
95.08595	5.7
96.04464	0.6
96.08112	7.3
97.10126	0.4
98.06001	0.5
100.07590	0.6
101.13145	0.4
105.07017	0.4
106.06551	4.0
107.08527	0.4
109.10168	0.4
114.09172	2.2
119.08549	0.6
120.08056	1.0
121.10107	0.7
124.07580	3.0
134.09613	0.4
137.13251	0.6
140.06932	0.5
142.08612	34.2
155.14310	1.0
163.27820	0.3
175.51387	0.4
180.10306	0.6
184.01039	0.3
187.14717	0.4
198.46172	0.4
208.16936	0.8
232.20522	1.8
250.21622	24.3
251.21802	0.6
265.12106	0.6
278.21469	0.9
279.24091	0.7
290.94547	0.4
296.22153	100.0
297.22571	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.8
55.01857	1.2
55.05501	2.5
57.03413	0.8
58.06580	2.9
62.00664	9.0
62.99048	0.6
67.05164	0.8
67.05491	9.4
68.05000	0.5
69.03426	1.2
69.07054	9.6
70.06573	1.3
71.04982	0.5
72.08141	91.4
73.08473	0.9
75.09211	0.9
79.05469	3.2
81.03402	20.3
81.07038	11.1
83.04957	3.8
83.08606	0.7
84.04498	3.6
84.08121	3.7
85.02840	0.6
85.06506	0.5
86.09679	0.5
87.04452	1.4
91.05456	2.0
91.22352	0.4
93.07002	3.2
95.04957	8.9
95.08585	2.8
96.04477	1.6
97.06528	0.6
97.10142	0.8
98.06030	2.4
98.09653	0.5
100.07604	1.1
101.05979	1.1
103.05437	1.1
105.01198	7.7
105.07014	2.5
105.99586	0.5
107.04945	1.7
107.08566	3.0
109.02941	0.4
109.06528	1.4
109.10130	2.8
110.06040	1.4
112.11219	4.7
117.07008	0.5
119.08589	0.9
121.06461	1.0
121.10104	1.4
122.06015	0.6
123.02206	3.7
123.11679	2.6
124.07572	1.6
129.13840	1.9
131.08508	0.6
133.06444	1.8
133.10089	3.1
133.10947	0.4
134.06779	1.2
135.08035	1.4
135.11691	0.8
137.05954	1.5
137.09575	1.6
138.09065	0.8
144.16286	0.5
145.10066	0.9
146.16476	1.8
149.09583	0.6
151.07480	0.6
151.11150	12.5
152.14316	0.7
163.07507	1.8
164.07901	1.5
165.09065	1.3
172.05670	6.5
174.05232	16.2
175.05627	0.7
179.08414	0.5
180.08755	0.8
180.13809	13.8
192.06284	0.6
208.16925	100.0
209.17172	3.5
222.18526	1.7
225.19582	11.7
226.19876	0.7
265.08459	0.9
279.24258	52.5
280.24533	2.2
296.06439	1.0
296.13733	1.4
296.26907	63.3
297.07465	0.5
297.10812	1.0
297.27451	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	297.1075
Annotation	Medinoterb acetate
Peak:m/z	Relative Intensity
52.68198	0.4
52.96815	0.5
53.03924	1.8
55.01851	1.5
56.05026	12.6
56.28752	0.5
57.03415	1.6
59.04977	2.5
60.04516	1.3
61.00867	0.7
61.01140	8.1
61.03488	0.5
64.84838	0.5
67.05485	5.3
68.05041	0.7
69.03408	2.9
69.07044	1.6
70.06580	3.3
71.04970	0.9
71.53959	1.3
72.08145	2.9
77.97708	0.5
79.05466	3.6
80.05009	1.1
81.03402	1.4
81.07034	2.5
83.01346	1.0
83.08611	0.7
84.04482	1.2
84.08133	3.7
85.02876	1.9
86.09692	4.0
89.05475	1.0
89.06017	14.8
91.05454	6.0
93.05764	1.8
93.07024	4.5
94.06549	14.3
95.01288	1.0
95.04961	5.9
95.08585	1.1
96.04465	2.0
96.08117	2.7
97.02872	7.4
100.07588	0.6
100.47608	0.5
103.05470	1.2
103.07522	0.7
104.05317	20.2
105.04456	1.2
105.06991	2.2
106.05280	0.6
106.06514	1.6
107.04918	1.6
107.08539	0.8
108.08105	0.9
109.06497	1.2
109.10129	1.2
110.06017	1.1
111.00761	0.6
111.08098	0.5
112.03925	2.1
112.07591	1.2
117.07001	1.6
118.51282	0.5
119.08567	8.9
120.08090	14.7
121.06595	1.0
121.07607	9.9
121.08407	0.4
121.10082	0.8
122.06004	37.7
122.64632	0.5
123.04394	0.7
123.09145	1.7
124.07571	2.6
129.06966	0.9
129.10216	1.5
131.04900	1.0
131.08548	1.0
133.06485	0.8
133.08575	8.4
134.05920	0.7
135.05528	1.0
135.08093	1.3
136.03928	0.8
136.06151	3.2
136.07518	1.3
137.05957	0.8
137.07051	0.8
137.09581	0.7
138.05423	0.7
139.07547	1.2
139.08607	8.6
140.03436	0.6
140.07053	1.1
146.05960	1.3
147.07997	4.9
149.00420	0.5
149.06003	0.6
149.07076	16.5
150.05556	0.9
150.09097	0.7
151.07477	1.1
151.08629	11.5
151.09819	0.6
153.01820	0.9
153.05489	0.7
153.10181	0.7
159.08006	0.7
159.11275	2.3
161.63882	0.6
162.07851	1.3
162.09248	0.6
163.08583	1.1
165.09068	1.3
166.08708	3.1
173.12883	0.8
175.08658	0.9
176.07114	1.3
177.10037	3.0
178.07367	1.1
179.08154	8.8
179.11731	1.1
181.09743	0.6
189.10194	0.7
190.08644	1.3
190.12215	0.6
191.08296	0.8
195.07593	2.8
195.12360	0.8
205.06151	3.5
205.09837	3.4
205.13358	1.6
207.07677	6.1
207.11263	7.4
209.09415	0.6
210.07433	0.8
215.08142	1.2
217.09724	2.2
223.07097	100.0
224.07414	2.0
231.07585	0.7
232.06010	1.7
233.09171	7.6
233.12851	1.8
234.07512	0.7
234.11154	1.0
235.07292	0.6
235.10767	3.0
237.08800	2.7
239.14969	3.7
243.07591	0.6
249.08684	9.3
249.12332	1.1
251.10175	5.7
251.12483	0.7
261.08652	5.2
261.12238	2.3
262.07004	1.6
265.08524	1.5
267.08502	1.0
279.06604	0.9
279.09714	15.7
279.13126	2.6
279.16095	1.1
280.11880	0.7
297.10754	89.7
298.07318	1.2
298.11029	2.7
299.06097	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	6.9
55.01868	16.8
55.05266	3.4
55.05503	53.2
57.03418	6.9
57.07066	16.0
59.21451	3.0
67.05491	96.2
68.05833	3.0
69.03418	25.1
69.07056	35.5
70.04047	4.7
70.06591	3.6
70.09526	13.8
71.01345	2.8
71.04966	8.6
71.08611	33.6
72.08144	5.6
79.05473	62.5
81.03407	14.8
81.06588	4.5
81.07040	88.4
83.04963	26.8
83.08601	31.1
84.08117	4.7
85.02888	11.4
85.06512	7.0
90.94814	2.9
91.05473	39.7
93.06474	6.0
93.07029	79.5
95.04953	26.7
95.08588	53.4
97.06495	11.9
97.10152	29.8
99.08078	38.6
105.07012	30.0
107.04917	4.8
107.08581	41.0
109.06480	9.6
109.10127	27.3
111.04423	3.3
111.08046	21.0
113.09595	7.1
117.06946	9.4
119.08576	19.4
121.06501	3.4
121.10119	38.3
123.08025	7.1
123.11666	8.6
125.09588	25.2
129.06964	8.8
131.04942	3.5
131.08537	12.5
133.06474	8.9
133.10091	23.7
135.07996	4.5
135.11679	23.1
137.09581	6.3
137.13211	5.1
139.07497	3.7
139.11174	6.0
143.08600	3.3
145.10085	11.2
147.11687	19.3
149.09583	10.0
149.13197	12.4
151.11192	23.8
157.10097	6.0
159.11632	8.5
161.09642	4.4
161.13248	19.5
163.11145	13.3
163.14772	5.2
165.12775	7.5
166.15424	2.8
171.11639	5.5
173.13190	3.3
175.11191	5.3
175.14828	7.6
177.16272	3.3
179.14236	14.4
185.13203	6.5
189.11172	16.1
193.12097	4.5
193.15852	3.4
195.13762	3.5
207.13780	6.7
221.11780	3.0
223.08775	3.9
224.16251	3.8
231.20981	3.8
235.13214	12.4
241.19511	12.7
259.20453	12.0
277.14200	5.6
277.21613	100.0
277.24713	5.2
278.22021	3.7
295.15372	6.2
295.22653	44.5
296.23215	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2627
Annotation	Sterculic acid
Peak:m/z	Relative Intensity
51.65101	0.4
53.03931	0.5
55.01862	1.2
55.05503	12.4
56.96575	0.4
57.03421	2.3
57.07067	3.7
59.04992	1.4
61.02915	0.6
62.03216	0.5
65.03918	0.5
67.05491	9.3
69.03411	3.1
69.07056	100.0
70.06584	0.7
70.07394	1.4
71.04987	1.8
71.08624	1.0
72.08152	2.2
73.02901	1.9
73.06526	0.6
79.05472	4.1
81.03416	1.4
81.07042	17.6
83.04980	1.1
83.08603	7.0
83.09059	0.6
84.08141	1.0
85.02895	1.8
85.06532	2.8
85.10188	0.7
86.06053	0.5
91.05461	2.8
93.07029	9.7
94.30450	0.4
95.04936	2.1
95.08593	13.1
97.06519	3.8
97.10150	3.0
98.20767	0.9
99.04457	1.0
99.08086	1.8
100.07613	0.7
101.06011	0.4
105.06423	0.5
105.07015	3.1
107.04959	0.6
107.08571	6.2
109.02833	0.5
109.06524	1.8
109.10138	14.2
111.08070	1.1
111.11703	27.7
111.97387	0.4
112.12013	0.5
113.09653	0.4
115.03891	0.5
117.06995	0.7
119.08572	3.1
121.10117	7.7
123.08064	1.7
123.11674	7.4
124.11990	0.5
125.09610	0.7
127.11188	1.6
129.12770	2.3
131.04839	0.5
131.08528	0.8
133.04958	0.6
133.10107	2.7
135.08058	0.5
135.11682	1.9
137.05963	0.5
137.09602	1.2
137.13243	1.9
137.82813	0.4
139.11151	23.5
140.11540	0.5
143.08571	0.5
145.10123	1.2
146.05945	0.6
147.07990	0.5
147.11688	1.9
149.09604	1.2
149.13234	2.3
151.07530	0.6
151.11165	1.2
151.14801	0.5
153.12720	0.8
157.10159	0.5
157.12227	3.6
161.09642	0.4
161.13228	1.0
162.07541	2.2
163.07887	3.2
163.14772	0.8
165.12752	1.1
167.14296	0.7
171.11679	0.4
175.14766	0.8
177.16394	1.1
179.14331	0.4
179.17924	0.5
180.13754	0.5
189.09256	0.5
193.15907	1.4
203.17992	0.8
208.16974	0.7
224.16312	0.5
259.24207	1.0
277.11050	0.8
277.22327	0.8
277.25244	5.9
278.21072	0.5
295.10126	1.5
295.26288	40.3
296.26627	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	296.1155
Annotation	Triadimenol
Peak:m/z	Relative Intensity
57.07063	1.1
59.04987	0.3
59.27970	0.1
67.05504	0.2
69.03413	0.3
69.07059	0.4
70.04064	100.0
71.03767	0.3
71.04398	0.4
72.08152	0.6
74.54296	0.1
75.90838	0.1
81.07079	0.2
83.04996	0.2
91.05411	0.2
91.35075	0.2
93.07050	0.2
95.05027	0.2
99.08076	4.5
100.07612	0.2
100.08454	0.1
119.08569	0.3
121.10153	0.2
122.10488	0.2
141.01047	0.3
145.09961	0.2
147.44547	0.1
172.11710	0.1
208.17009	0.4
209.07253	0.2
227.08324	0.6
296.26779	0.4
317.79315	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07063	1.1
59.04987	0.3
59.27970	0.1
67.05504	0.2
69.03413	0.3
69.07059	0.4
70.04064	100.0
71.03767	0.3
71.04398	0.4
72.08152	0.6
74.54296	0.1
75.90838	0.1
81.07079	0.2
83.04996	0.2
91.05411	0.2
91.35075	0.2
93.07050	0.2
95.05027	0.2
99.08076	4.5
100.07612	0.2
100.08454	0.1
119.08569	0.3
121.10153	0.2
122.10488	0.2
141.01047	0.3
145.09961	0.2
147.44547	0.1
172.11710	0.1
208.17009	0.4
209.07253	0.2
227.08324	0.6
296.26779	0.4
317.79315	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85328	0.6
52.07634	0.6
53.03936	1.4
55.05469	0.9
67.05492	1.3
69.07051	1.9
69.20914	2.5
69.21336	5.2
72.08141	13.2
75.04466	4.5
76.66146	0.6
77.03896	0.7
79.05471	3.1
81.03409	3.7
81.07023	2.1
83.04977	0.6
91.05488	0.9
93.07034	1.8
95.04942	2.5
98.06024	1.5
103.05454	1.0
105.07009	22.2
112.11179	0.9
117.05716	1.6
119.08545	1.0
121.10098	1.2
123.08049	3.6
130.06470	1.3
130.08646	3.2
131.07297	14.3
132.08072	8.8
133.07599	1.3
144.08096	2.3
145.08829	6.2
145.41704	0.7
146.09621	100.0
147.09926	1.5
151.11195	4.3
158.09624	10.4
159.10388	1.0
160.07516	3.5
160.11191	37.2
161.08368	1.0
162.09148	0.9
166.07219	11.2
167.05589	3.0
172.07498	2.1
175.09988	1.0
176.10629	0.8
187.09866	0.8
188.10657	4.6
190.12238	4.4
192.10150	8.3
192.13815	2.4
208.16946	19.2
218.11682	6.3
220.13329	1.6
220.16893	0.9
225.19627	2.1
246.11266	2.4
248.12756	2.7
250.14343	13.1
250.16936	0.8
264.12250	1.0
278.13818	37.2
279.14188	1.4
279.24240	8.7
287.72025	0.8
296.18698	6.3
296.26877	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	295.2264
Annotation	9(S)-HOT
Peak:m/z	Relative Intensity
52.90131	2.7
53.03933	4.2
55.01869	11.9
55.05505	21.9
57.03431	31.5
57.07056	8.8
65.03933	3.3
67.05497	63.2
69.03410	8.2
69.07056	24.1
69.51126	11.1
69.51531	5.0
71.04972	6.7
71.08623	6.4
75.40907	2.3
79.05482	48.6
81.03410	4.6
81.07042	100.0
83.04963	14.8
83.08607	14.5
85.02880	6.2
85.06543	4.7
85.10145	3.0
87.04448	2.7
88.04028	2.2
91.05470	28.2
93.07031	57.6
95.04956	9.1
95.08595	73.1
97.06520	10.9
97.10147	7.0
98.21508	3.0
99.08046	5.9
101.02327	2.7
103.73373	2.3
105.07029	24.2
107.08580	35.3
109.06493	4.5
109.10133	25.2
111.08081	8.4
111.11710	2.7
117.06997	6.8
119.08575	19.5
121.10129	45.8
122.87383	2.1
123.08053	8.1
123.11715	11.5
125.09613	4.1
129.07024	3.8
131.08533	9.0
133.10112	19.2
135.11678	24.2
137.09575	6.5
137.13174	2.7
139.11166	8.2
145.10103	12.2
147.11644	14.4
149.09564	7.9
149.13246	9.7
151.11165	8.6
157.09956	3.3
159.11681	13.3
161.13211	6.8
163.11195	2.9
165.12741	9.2
171.11674	5.0
173.13229	4.6
175.11206	3.4
181.12222	3.7
185.13091	3.2
187.14822	13.5
193.12184	2.8
201.16376	3.1
205.15747	5.2
221.18948	6.5
223.16988	8.3
231.21053	3.1
241.19479	8.2
254.15700	2.4
259.20563	16.3
263.16772	3.1
277.21591	93.9
295.15656	2.9
295.22717	55.9
295.28156	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2264
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03919	5.8
55.01866	37.9
55.05502	48.7
57.07055	13.9
57.12421	3.9
62.78256	3.6
67.05490	54.7
69.03408	11.1
69.07059	53.1
69.19252	3.6
71.04979	8.6
71.08627	34.6
78.76706	4.7
79.05479	34.8
81.03397	5.0
81.07049	63.1
83.04951	23.8
83.08608	34.5
85.06540	6.4
85.10158	5.4
86.09693	7.0
91.05466	31.7
93.07027	54.7
94.37747	3.7
95.04948	13.1
95.08591	54.9
97.06519	45.8
97.10161	7.0
99.08092	20.7
105.07037	24.8
107.08569	32.4
109.06490	6.2
109.10151	21.7
111.04404	5.9
111.08062	15.7
113.09593	5.0
119.08565	26.3
121.10140	26.2
121.14322	4.5
123.08034	8.8
123.11681	15.1
125.09614	7.6
129.07027	4.6
131.08440	5.3
133.10088	13.9
135.08101	4.3
135.11678	21.4
137.09576	6.9
147.11670	29.7
149.13229	13.9
151.11166	15.1
161.13222	15.5
163.11139	6.0
165.12709	10.1
171.11699	8.8
175.11159	5.7
175.14746	4.4
179.14264	14.3
184.07242	4.5
189.12723	7.0
241.19435	7.7
249.22223	7.3
259.20520	13.3
277.21591	100.0
295.22699	29.8
318.95749	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	295.1899
Annotation	Nordihydrocapsiate
Peak:m/z	Relative Intensity
55.01859	6.0
55.05500	4.1
57.07048	1.8
63.84206	0.5
66.60095	0.6
67.05490	5.0
69.03406	2.6
69.07060	3.9
69.96576	3.2
71.05002	1.1
71.08595	0.8
72.08139	1.3
74.96314	0.6
79.05479	6.1
81.03399	0.6
81.07042	31.0
83.04958	2.6
83.08591	2.3
85.02880	0.8
85.06498	0.7
91.05475	3.2
93.07015	5.8
95.04930	1.4
95.08592	6.3
97.06496	1.0
97.10174	0.8
98.21438	0.7
105.07025	3.2
107.08575	4.4
109.06498	12.1
109.10142	3.4
111.04420	13.2
111.08067	1.2
119.08538	3.8
121.10133	4.8
123.08070	1.2
123.11656	1.8
125.05967	4.2
129.05434	0.7
130.95935	0.8
131.08525	1.4
133.06444	0.9
133.10100	3.3
135.08015	1.8
135.11696	3.6
137.05952	100.0
137.13213	1.3
138.06305	2.6
143.08516	1.1
145.10126	1.7
146.07266	0.8
147.08076	1.5
147.11667	4.3
149.09599	3.4
149.13280	1.3
151.07509	2.6
151.11133	1.4
157.10062	1.4
159.11661	1.4
161.09598	4.4
161.13277	1.8
163.11188	2.2
165.09103	2.0
167.10643	0.8
175.11176	3.3
175.14813	1.6
177.09090	0.9
179.10667	2.0
181.12296	0.7
182.31979	0.5
189.12665	0.9
193.12148	1.5
203.17934	5.0
205.19437	0.9
213.16353	2.3
221.18956	1.0
224.83369	0.6
231.17380	8.8
241.15852	1.4
249.18457	13.1
250.18861	0.8
277.17947	50.2
277.21191	1.8
278.18362	2.0
295.16119	0.6
295.19006	15.2
295.22360	1.5
296.19327	1.0
296.22272	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	295.2261
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03929	6.9
55.01868	16.8
55.05266	3.4
55.05503	53.2
57.03418	6.9
57.07066	16.0
59.21451	3.0
67.05491	96.2
68.05833	3.0
69.03418	25.1
69.07056	35.5
70.04047	4.7
70.06591	3.6
70.09526	13.8
71.01345	2.8
71.04966	8.6
71.08611	33.6
72.08144	5.6
79.05473	62.5
81.03407	14.8
81.06588	4.5
81.07040	88.4
83.04963	26.8
83.08601	31.1
84.08117	4.7
85.02888	11.4
85.06512	7.0
90.94814	2.9
91.05473	39.7
93.06474	6.0
93.07029	79.5
95.04953	26.7
95.08588	53.4
97.06495	11.9
97.10152	29.8
99.08078	38.6
105.07012	30.0
107.04917	4.8
107.08581	41.0
109.06480	9.6
109.10127	27.3
111.04423	3.3
111.08046	21.0
113.09595	7.1
117.06946	9.4
119.08576	19.4
121.06501	3.4
121.10119	38.3
123.08025	7.1
123.11666	8.6
125.09588	25.2
129.06964	8.8
131.04942	3.5
131.08537	12.5
133.06474	8.9
133.10091	23.7
135.07996	4.5
135.11679	23.1
137.09581	6.3
137.13211	5.1
139.07497	3.7
139.11174	6.0
143.08600	3.3
145.10085	11.2
147.11687	19.3
149.09583	10.0
149.13197	12.4
151.11192	23.8
157.10097	6.0
159.11632	8.5
161.09642	4.4
161.13248	19.5
163.11145	13.3
163.14772	5.2
165.12775	7.5
166.15424	2.8
171.11639	5.5
173.13190	3.3
175.11191	5.3
175.14828	7.6
177.16272	3.3
179.14236	14.4
185.13203	6.5
189.11172	16.1
193.12097	4.5
193.15852	3.4
195.13762	3.5
207.13780	6.7
221.11780	3.0
223.08775	3.9
224.16251	3.8
231.20981	3.8
235.13214	12.4
241.19511	12.7
259.20453	12.0
277.14200	5.6
277.21613	100.0
277.24713	5.2
278.22021	3.7
295.15372	6.2
295.22653	44.5
296.23215	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2263
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03708	1.2
53.03939	13.1
55.01860	6.8
55.05268	1.5
55.05504	18.3
57.03419	2.8
57.07062	5.7
58.42678	0.8
60.29478	0.9
64.00700	0.8
65.03909	1.1
67.05493	44.1
67.59003	0.9
69.03407	3.4
69.07058	33.5
71.04675	1.8
71.04998	1.7
71.08610	3.9
73.02977	1.0
79.05482	29.4
81.03405	49.6
81.07040	43.7
82.03732	1.0
83.04964	14.4
83.08610	8.5
85.06532	1.7
85.10167	2.3
87.04456	1.4
91.05468	16.0
92.29634	1.0
93.07030	28.9
95.04955	32.1
95.08588	19.4
97.06504	3.5
97.10147	7.1
99.08089	2.3
100.84013	0.9
105.07010	17.8
107.04935	1.8
107.08576	18.9
109.06497	6.3
109.10144	14.9
111.08031	3.0
113.09602	1.9
117.06973	2.9
117.42321	0.8
119.08562	9.4
119.95741	1.1
121.10130	8.9
123.08051	3.5
123.11698	6.5
125.09588	7.3
129.06992	2.8
131.08534	4.1
133.10114	14.3
135.08026	3.1
135.11670	6.4
137.09625	1.8
137.13173	2.1
143.08543	1.5
145.10080	2.4
147.07979	1.5
147.11664	10.6
149.09622	1.7
149.13260	6.1
151.11151	38.9
151.14839	1.0
153.09077	3.5
157.10106	2.5
159.11673	1.7
161.09573	1.5
161.13242	9.4
163.11166	1.2
163.14812	4.4
165.12718	8.8
165.71028	1.0
167.10674	1.0
171.10214	2.0
171.11661	4.4
173.13177	1.8
175.11162	2.7
175.14769	3.7
177.12663	1.6
179.10629	1.5
179.14308	5.7
181.12224	1.3
185.13251	2.3
189.11137	1.6
189.12698	2.5
193.12155	2.2
193.15923	1.3
195.13779	1.0
199.14824	2.0
199.17038	1.0
207.13722	3.0
217.19392	2.1
221.15309	2.5
231.21117	7.8
239.12216	0.9
241.19441	3.2
249.22031	4.2
254.83784	1.0
259.20535	8.2
277.21582	100.0
278.21918	3.2
295.22800	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	295.2263
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
53.03930	4.1
55.01865	43.7
55.05502	29.5
56.93481	1.5
57.03409	3.3
57.07045	6.8
67.05492	35.2
69.03423	11.2
69.07059	14.2
69.97720	4.7
69.98137	3.7
71.04965	3.6
71.08614	15.7
79.05479	21.7
81.03397	7.1
81.06593	2.8
81.07044	37.3
83.04967	13.1
83.08607	17.9
84.08100	2.0
85.02872	1.6
85.06487	2.1
85.10175	12.1
91.05469	21.7
93.06478	2.3
93.07034	31.0
95.04958	9.1
95.08591	29.0
97.06516	11.3
97.10149	5.5
97.44562	1.5
98.21413	2.1
99.08072	11.8
105.07011	16.9
107.04881	3.4
107.08566	16.8
109.06496	6.4
109.10139	13.9
111.04484	3.3
111.08061	44.9
113.09627	11.4
117.07005	2.6
119.08568	12.6
121.10115	16.0
123.08043	4.7
123.11671	5.5
125.09608	2.8
129.05466	2.5
129.06935	2.1
131.08521	5.8
133.10115	18.5
135.11678	8.5
137.13156	1.8
139.11153	4.7
143.08488	2.6
145.10056	3.1
147.11682	14.3
149.09579	8.1
149.13222	8.9
151.11128	15.5
153.12663	2.3
157.10103	4.3
159.11523	1.7
161.13251	6.7
163.11127	4.3
163.14832	2.6
165.12737	17.4
171.11674	3.9
171.53870	1.6
173.13266	1.7
175.11119	5.7
175.14693	2.0
179.14273	11.4
212.30714	1.6
219.04082	1.5
221.15367	2.6
231.21060	2.9
235.63214	1.6
238.56436	1.7
241.19460	4.4
249.22084	6.6
251.95888	1.7
259.20493	8.1
269.19012	1.7
277.21579	100.0
278.21820	2.4
295.22623	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	295.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.6
55.01857	0.5
55.05486	1.9
56.05021	1.0
56.96541	0.6
57.03431	3.0
58.06571	0.6
59.04986	0.5
60.04522	2.5
61.01121	0.5
61.02909	1.1
67.05486	1.8
69.03423	2.8
69.07047	1.7
69.84716	1.2
69.85132	1.3
70.02935	1.5
70.06578	3.8
71.01355	0.5
71.04956	0.5
72.08154	3.2
73.02902	5.1
74.02435	0.6
74.06046	0.7
79.05471	1.8
79.79012	0.4
80.05006	0.7
81.03389	0.8
81.07041	2.0
82.06572	0.6
83.08615	1.0
84.04453	1.2
84.07680	0.7
84.08128	6.5
85.02894	3.7
85.06540	0.6
86.09692	6.6
87.04439	0.7
88.03975	7.3
90.05532	0.6
91.05470	3.1
93.07020	2.2
94.06552	11.0
95.04958	4.2
95.07349	0.8
95.08578	1.6
96.04465	5.3
96.08096	1.6
97.02875	4.0
97.05301	0.6
97.06488	0.9
98.06045	5.9
99.00798	0.8
100.07557	0.8
102.05486	0.7
103.03929	0.7
103.05471	0.6
104.03468	2.8
105.00039	0.4
105.07024	1.2
106.06544	0.7
107.04955	3.0
108.08121	1.5
109.02908	0.7
109.06489	1.7
110.06033	4.7
110.07162	0.6
110.09673	1.1
111.04437	0.7
111.06805	1.4
111.18447	0.5
112.07599	3.9
115.03932	2.5
116.98613	0.5
117.05489	0.5
117.07047	0.7
118.06489	0.7
119.04904	1.2
119.08573	1.5
120.04430	2.0
120.08070	3.8
120.55961	0.6
122.06025	5.8
123.04420	1.8
123.06798	2.8
123.08084	0.7
124.07571	20.9
126.09133	29.7
127.03924	0.7
129.10205	3.1
130.08617	1.0
131.08163	1.7
132.04428	1.0
133.04948	0.9
133.06506	0.7
134.05994	1.7
135.04378	0.8
136.07552	10.7
137.05995	0.7
138.09117	100.0
139.06270	1.3
139.09454	1.2
140.07040	32.9
140.10658	1.5
142.08675	0.5
145.04935	0.7
145.07613	0.7
145.10109	0.6
146.05980	17.1
147.06317	0.7
147.08014	0.8
147.11351	0.7
150.05519	1.2
150.07724	3.9
150.08920	0.5
151.03905	0.5
152.07036	28.6
154.08640	0.6
156.02847	0.6
156.06490	1.0
158.08107	11.3
158.09500	1.0
159.07571	0.6
161.05983	1.0
163.08644	0.7
163.12343	0.7
164.13060	0.5
166.08559	0.8
170.08096	4.1
170.65158	1.5
174.03947	3.2
174.05496	6.5
174.96967	0.5
175.07523	3.8
175.92439	0.5
179.06949	0.6
186.09135	3.5
186.12677	0.6
187.07545	0.5
192.06473	1.0
202.03455	2.8
203.07083	0.5
203.11781	2.1
213.07901	0.5
213.14069	0.5
214.12270	2.5
224.16353	1.1
227.09268	0.8
229.09636	0.6
230.10516	1.3
231.06432	1.3
231.14919	2.1
241.13338	1.2
242.11780	3.5
244.12071	1.2
249.07193	0.5
249.15976	0.9
259.14380	38.2
260.14890	0.8
277.08047	0.8
277.15414	15.0
281.38324	0.5
295.07458	0.8
295.09494	0.5
295.12946	0.7
295.16446	13.9
295.23727	1.6
296.09576	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1647
Annotation	Tyrosylleucine
Peak:m/z	Relative Intensity
50.85645	0.2
51.03784	0.2
53.03930	0.5
55.01860	0.4
55.05501	0.3
55.90513	0.2
56.05001	0.5
57.03423	2.5
57.07069	0.3
60.04493	0.2
61.02906	0.8
63.19629	0.2
65.03922	0.3
67.05487	0.8
69.03417	2.7
69.07047	1.0
69.83593	1.2
70.02931	0.8
70.06577	0.8
71.01343	0.6
71.04977	0.4
72.08138	2.3
73.02903	4.5
74.02429	0.6
79.05469	0.9
81.03402	0.3
81.07033	1.0
82.06596	0.3
83.08615	0.2
84.04473	0.8
84.08130	2.0
85.02886	3.9
86.09688	5.6
87.04434	0.6
88.03978	3.3
91.05458	18.2
92.05785	0.8
93.07007	1.2
94.06549	3.9
95.04958	0.7
95.08575	0.7
96.08150	0.3
97.02878	3.3
97.06499	0.5
98.06020	0.3
98.20769	0.3
99.00780	0.4
99.04433	0.4
100.07561	0.4
103.03979	0.3
103.05441	0.6
104.03443	1.1
105.06998	0.9
107.04942	0.9
107.08569	0.4
108.08123	0.6
109.02812	0.4
109.06494	0.9
110.06015	0.8
110.07150	0.3
112.07582	0.2
115.03896	3.4
116.01170	0.2
116.07109	0.3
117.06948	0.4
118.06506	0.9
119.04916	14.7
119.08578	0.5
120.04433	1.0
120.05260	1.8
120.08079	3.0
121.06486	2.6
121.10128	0.4
122.06002	0.7
123.04435	0.5
124.07575	4.0
127.03873	0.8
129.07007	0.4
129.10222	1.0
130.04985	0.6
130.06520	0.3
130.08606	0.6
132.04433	0.4
132.10150	1.7
133.02829	0.5
133.04962	1.0
133.06406	0.3
134.05972	0.2
136.07547	100.0
137.05960	0.4
137.08051	1.0
138.09093	1.3
140.07042	1.2
142.08589	4.3
145.04921	0.9
145.10094	0.3
146.05974	7.9
147.03212	0.4
147.04372	5.7
147.06236	0.3
147.08047	0.6
148.03625	0.5
148.04727	7.2
148.05914	0.5
150.05501	0.4
150.07716	3.8
154.08598	15.9
156.02902	0.3
156.10098	0.3
159.61687	0.2
160.05051	0.3
161.05896	0.4
161.10690	0.6
162.09203	0.3
163.03831	0.5
163.06046	0.4
163.12282	0.6
164.05304	0.6
164.07066	0.5
164.13034	0.5
165.05595	0.3
166.08560	0.3
168.04759	0.3
174.03946	1.2
174.05478	3.5
175.07460	0.4
177.05511	0.3
179.03314	0.5
180.10242	0.3
189.13850	0.5
192.04733	1.5
192.06500	0.7
202.03464	1.4
203.15416	0.7
208.09737	0.7
209.04803	0.3
210.05791	1.8
223.06096	0.3
224.16383	1.4
231.06462	0.3
231.14850	0.5
232.13322	0.3
235.07434	0.3
249.15924	1.9
250.10661	0.5
250.14311	0.6
259.14432	0.2
260.12802	0.4
267.07779	0.4
277.08157	0.4
277.12021	0.4
277.15408	5.0
278.10828	0.2
278.13672	1.5
295.07535	0.8
295.13110	0.8
295.16452	16.6
295.23398	1.6
296.09497	0.5
296.14890	0.7
308.76712	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1896
Annotation	Nordihydrocapsiate
Peak:m/z	Relative Intensity
53.03934	2.6
55.01855	6.0
55.05505	12.9
57.03422	3.2
57.07073	1.5
58.71458	0.8
59.74797	0.7
67.05487	7.8
69.03417	38.1
69.07053	5.7
70.62491	3.3
71.01340	4.9
71.04980	3.2
71.08605	1.0
72.08154	1.0
73.02910	3.6
79.05010	1.0
79.05478	22.6
81.07043	31.2
83.04966	35.3
83.08603	2.8
84.08125	1.2
85.02892	19.9
87.04448	2.5
91.05466	14.8
91.30402	1.0
93.07028	66.4
94.07376	1.3
95.04948	6.7
95.08582	10.4
97.02874	2.4
97.06495	2.3
97.10138	1.0
99.04418	1.3
105.04543	1.0
105.07008	10.0
107.08575	15.7
109.06506	11.9
109.10126	3.3
111.04427	27.2
111.08047	3.8
111.89577	0.9
117.06972	1.0
119.08557	7.6
121.06480	2.4
121.10125	51.6
122.10402	1.2
123.08074	2.9
123.11710	2.1
125.05959	4.8
128.06171	1.1
129.05457	10.2
129.06894	1.6
130.05823	0.9
131.04910	1.0
131.08545	7.2
133.05052	0.9
133.10098	4.1
135.08044	2.9
135.11684	2.9
137.05952	100.0
137.13240	1.6
138.06293	1.2
139.11140	2.1
145.10066	1.9
147.08005	2.6
147.11748	4.7
149.02357	0.9
149.09595	16.2
151.07520	3.4
151.11093	1.2
157.10094	2.4
159.11650	1.4
161.09564	4.7
161.13229	2.1
162.07631	3.2
163.07988	4.2
163.11099	1.4
165.09053	1.4
167.10687	4.2
175.11127	3.8
175.14830	1.5
179.10631	2.4
184.07335	1.1
189.12766	0.9
193.12099	0.9
203.17979	4.6
213.16429	1.3
221.18872	1.7
224.16429	0.9
231.17406	7.8
241.15938	1.4
244.98094	0.8
246.81282	0.8
249.18427	10.5
267.17511	1.5
277.17950	51.6
277.21194	2.1
278.18317	1.9
295.12201	2.3
295.15421	15.2
295.19043	14.5
296.12762	1.0
296.15836	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	295.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.5
55.01617	0.7
55.01853	3.4
55.05502	14.3
57.03430	2.8
57.07067	18.3
61.02888	0.8
67.05495	8.3
69.03420	24.4
69.07045	3.0
69.46302	6.7
71.01346	3.4
71.04958	2.0
71.08613	4.1
73.02905	0.7
73.06531	1.3
75.04453	1.0
79.05054	1.1
79.05486	13.8
81.03408	1.4
81.07034	8.0
83.04967	15.7
83.08598	3.2
85.02888	10.7
85.06526	0.9
87.04442	1.1
91.05466	8.3
93.07029	34.8
95.04948	4.2
95.08597	5.9
97.02867	1.2
97.06504	1.7
97.10133	2.1
99.08077	3.8
100.30757	0.8
103.05377	0.7
105.07014	5.5
105.28646	0.8
107.04950	1.2
107.08581	7.7
109.06529	1.2
109.10132	2.4
111.04432	8.2
111.08038	4.3
113.09642	1.1
115.03928	0.8
117.06987	1.0
119.08581	5.2
121.02834	3.7
121.06501	0.7
121.10123	26.3
123.08028	1.7
123.11684	1.2
125.09616	2.2
129.05472	7.0
129.06973	1.3
131.08546	3.5
133.10092	2.1
135.11652	1.7
137.09634	0.8
139.11176	1.9
145.10083	1.1
147.11702	3.7
149.02315	100.0
149.09619	6.8
149.13190	1.6
150.02698	2.1
151.11150	5.1
161.13237	1.7
162.07625	1.2
163.07953	1.4
163.11107	1.4
163.14876	1.0
165.12775	1.6
167.03403	1.6
167.10649	2.8
175.07510	2.5
179.14311	1.1
181.62849	0.7
189.11174	1.0
196.34317	0.8
201.62773	0.6
203.06999	7.3
205.08563	1.2
207.13869	1.0
259.20602	1.7
277.14340	4.3
277.21561	10.7
295.12140	1.7
295.15140	8.3
295.22610	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	295.1019
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.03922	2.3
55.01844	1.7
55.05505	1.7
56.05025	1.5
56.96537	2.3
57.03428	51.0
57.07046	1.3
59.04968	1.3
60.04525	1.3
61.02921	15.4
69.03419	44.6
69.07031	1.7
70.06565	4.6
70.70614	2.9
71.01350	10.3
71.04958	2.3
72.08130	3.6
73.02907	100.0
81.03386	4.4
81.07037	2.3
83.04977	1.2
84.04482	5.5
84.08135	13.1
85.02893	65.5
86.06033	1.7
86.09695	13.0
87.04462	5.2
88.03977	3.0
89.85449	1.0
91.03904	1.5
91.05446	3.6
93.07052	2.0
94.06549	1.6
95.08588	2.4
97.02878	60.1
98.97552	2.7
99.04434	3.9
100.07581	1.4
102.05488	1.9
103.03958	1.5
103.05434	4.5
107.04951	1.5
109.02845	4.6
110.07156	1.6
111.04456	1.1
115.03914	67.8
120.08089	64.0
123.04366	1.4
123.07944	1.6
127.03902	13.3
129.10254	3.2
130.04947	2.8
130.08574	2.1
131.04930	1.5
133.04941	20.4
135.04408	1.5
136.07523	3.5
137.05864	1.3
145.04956	16.7
145.06071	2.6
146.05986	3.6
147.04376	4.4
147.11227	2.9
148.04913	1.3
148.06026	4.4
149.02325	2.1
150.07718	7.8
154.08617	2.0
160.05075	1.3
161.05951	1.5
163.03889	7.5
163.06038	3.3
163.08658	1.2
165.05423	2.2
166.08589	1.5
174.05534	2.7
179.06969	2.2
181.04921	1.2
189.05435	3.2
193.04935	3.5
205.04994	1.3
223.05988	2.7
224.16492	1.3
231.06467	1.5
231.11006	1.0
232.09763	1.2
238.87152	1.2
241.07005	2.8
249.12138	1.4
256.91162	1.1
259.10660	1.3
277.11798	4.7
277.62903	1.1
293.78653	1.0
295.07944	2.1
295.09335	1.2
295.12930	25.7
295.16290	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	294.2059
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
55.01866	0.4
55.05489	0.5
66.04679	0.2
67.05483	0.6
69.03410	0.3
69.07066	0.2
70.00307	0.7
70.00713	0.4
73.02876	0.3
79.05481	1.2
81.07037	1.9
82.07360	0.2
83.04952	0.2
88.48120	0.2
90.56558	0.2
91.05450	0.7
93.07028	0.9
94.04170	1.6
97.06463	0.3
97.10173	0.3
106.07379	0.3
107.04907	0.2
107.08573	0.6
108.08927	0.4
111.79807	0.2
114.09202	0.2
120.08928	0.2
121.10139	0.5
122.03621	5.1
122.04468	0.4
123.11698	1.6
133.51822	0.2
137.05951	100.0
138.06277	1.6
141.12741	0.3
143.41653	0.3
158.15372	1.2
162.07603	0.4
170.15382	2.5
189.11290	0.3
222.08458	0.8
258.19443	0.2
276.13239	0.3
276.20258	1.2
294.20810	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0808
Annotation	Vittarilide B
Peak:m/z	Relative Intensity
51.48232	0.5
52.15022	0.4
55.01860	1.5
55.05497	0.8
56.05021	1.1
57.03424	3.2
57.07076	0.7
60.04500	0.5
61.02896	1.1
67.05481	1.3
69.03418	2.1
69.07059	2.5
69.40084	1.5
69.40505	2.9
70.02959	0.9
70.06589	1.6
70.75326	0.5
71.04994	0.7
72.08152	4.6
73.02912	5.3
74.06074	1.0
79.05485	1.7
81.07047	2.2
83.08612	0.7
84.04037	0.9
84.04495	10.0
84.08130	2.8
85.02877	3.7
86.06044	0.5
86.09693	32.8
88.02216	0.5
88.03970	3.1
89.03888	2.5
91.05446	2.4
93.07029	0.8
94.06566	3.5
95.04945	0.5
95.08604	2.2
97.02871	1.6
98.21532	0.6
101.02371	1.5
102.05501	2.1
103.03932	8.2
103.05457	1.8
104.03439	1.2
105.03399	0.9
105.07019	1.3
107.04931	2.2
109.06515	0.7
109.10140	1.1
111.04466	0.8
115.03934	1.1
115.05436	2.8
115.07543	0.7
117.03367	1.9
119.04945	2.8
119.08611	0.5
120.04422	0.8
120.05233	0.6
120.08089	15.9
120.08943	0.9
121.02811	0.9
121.08446	0.6
123.04398	2.6
127.03931	0.5
129.07001	1.4
129.10190	1.1
131.04924	3.0
132.04378	0.7
133.02820	0.8
133.06496	0.9
135.04398	20.9
136.07549	4.9
137.02330	1.6
137.05949	1.4
138.06320	1.2
139.03906	1.3
141.07043	0.8
143.04907	3.5
145.02780	2.6
145.06458	1.5
146.05974	6.3
146.09660	1.3
147.04402	11.8
148.04823	2.5
149.05925	1.6
150.05482	4.1
150.07684	3.4
151.02499	0.5
154.08586	0.6
157.06468	1.5
159.04376	0.7
161.05968	8.7
163.03879	100.0
164.04347	1.6
165.05440	3.2
166.08615	7.5
171.04376	1.7
173.05943	1.3
174.04027	1.0
174.05490	3.7
175.03896	7.1
175.07492	1.4
177.05464	4.8
179.03392	3.0
179.07001	0.5
181.04849	0.7
182.08063	4.1
185.05997	2.3
187.03845	1.7
187.07462	0.7
187.96892	0.7
189.05424	11.6
191.03383	1.7
192.06476	0.6
192.10173	1.1
193.04935	42.3
194.05310	0.7
199.03885	1.0
201.05498	1.1
202.03450	1.6
203.06982	1.6
205.04996	3.7
207.06474	1.0
213.05371	4.2
215.06992	1.2
217.04895	5.7
224.16452	3.4
231.06479	6.0
231.11194	6.3
233.04350	0.8
235.05927	5.0
247.05988	1.1
249.07562	1.3
249.12422	0.6
259.05975	4.7
277.07150	3.7
277.11798	7.4
295.08054	25.8
295.13147	1.4
295.16531	2.6
295.23694	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	294.1446
Annotation	Phe-Ala-Gly
Peak:m/z	Relative Intensity
53.98868	0.4
55.01862	0.8
55.05490	1.3
56.05023	2.6
56.96558	2.5
57.03413	1.7
57.05783	0.4
57.07050	0.4
58.06578	0.4
60.04507	0.4
60.95827	1.0
61.01136	0.5
61.02933	0.9
67.05487	1.4
68.05005	0.9
69.03411	2.8
69.07059	2.7
70.04491	1.8
70.06589	5.5
71.01323	0.4
71.04970	1.0
72.08145	5.2
73.02902	2.7
74.00654	0.5
74.02431	0.5
74.06068	0.6
74.97574	0.4
76.02226	0.5
78.96886	0.4
79.05469	0.9
81.03408	1.3
81.07043	1.1
82.06570	1.4
83.04979	0.6
83.06101	1.0
84.04492	21.9
84.08130	46.7
85.02886	3.9
85.06519	2.0
85.08447	0.6
86.06056	1.2
86.09694	14.2
86.99020	0.4
87.04422	0.4
88.02195	1.1
88.03990	2.1
89.03889	0.7
91.05471	2.9
93.07030	2.5
94.06556	0.5
95.04956	1.3
95.06051	0.7
95.08601	0.6
97.02881	2.4
97.06509	0.4
98.21434	0.4
98.97562	1.7
99.00723	0.4
99.04424	0.7
100.07597	5.5
100.11266	0.7
101.07131	3.2
101.10773	1.1
102.05514	1.3
102.96859	1.1
103.05441	5.4
107.04964	0.7
109.02849	1.2
109.06516	1.5
109.10140	0.5
110.06009	1.4
110.07117	2.0
111.08048	0.6
112.07592	1.1
114.05499	0.6
114.09129	0.6
114.10261	0.4
115.03910	1.5
116.98599	1.4
117.03320	0.5
118.03182	0.6
119.01908	1.1
119.04922	2.1
120.01176	0.8
120.08086	100.0
120.97903	0.8
121.01681	0.5
121.08420	1.5
122.02692	1.0
123.04464	0.5
127.03893	1.5
128.07059	2.4
129.03049	0.4
129.06580	0.5
129.09323	0.7
129.10229	8.6
130.04982	34.5
130.08607	3.7
131.04881	2.2
132.01131	0.5
132.10184	1.8
133.04959	0.5
134.05998	0.4
134.99634	0.8
135.04488	0.5
136.07552	2.2
137.05954	1.2
137.07898	0.5
137.09573	0.5
138.98973	0.8
143.01897	0.4
145.02734	0.8
146.08078	0.4
146.88512	0.4
147.04390	6.9
147.07622	38.7
147.11253	4.0
148.04733	0.7
148.07820	0.4
149.01224	0.4
150.07741	1.1
152.07053	0.5
154.08592	3.3
154.98422	0.8
155.06993	1.2
161.01228	0.6
161.02940	1.4
162.03125	0.7
162.98994	0.6
163.02664	0.8
163.03885	1.9
164.01015	0.4
165.00447	0.4
165.10222	3.2
166.05305	0.5
166.08601	0.8
171.14864	0.6
172.99382	0.5
173.06038	0.5
173.08099	0.4
174.06497	0.4
174.96919	0.4
175.07382	0.5
176.07889	0.5
177.00706	1.0
177.05511	1.7
178.98439	0.5
186.09189	1.1
192.07610	0.4
193.04948	0.4
193.70551	0.4
197.07286	0.5
203.07005	0.5
204.07364	1.6
205.09741	0.8
206.08400	0.5
214.08777	0.6
221.08095	1.8
222.08398	4.4
223.06261	0.4
228.95636	0.5
234.08548	0.5
237.02707	0.8
258.08057	0.8
259.10883	0.7
260.09283	1.3
267.00174	0.6
269.05563	0.7
270.99481	1.2
276.03830	1.1
276.09998	0.6
276.13199	2.9
276.17200	0.4
277.07410	0.7
277.08563	0.6
277.11819	9.1
277.15430	1.8
289.00583	1.7
294.11673	1.0
294.14444	21.1
294.18118	8.6
294.25250	2.6
295.08655	1.7
295.12943	5.5
312.06702	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.2
55.01859	0.3
55.05478	0.5
57.06834	0.2
57.07070	1.5
61.71809	0.2
67.05477	0.7
69.03406	0.2
69.07046	0.4
69.41023	0.6
69.41441	1.1
69.87434	0.2
71.08625	1.1
79.05455	1.1
80.05804	0.2
81.07046	1.1
82.07325	0.2
83.04976	0.2
91.05463	0.7
93.07023	0.7
94.04167	1.6
94.07342	0.2
95.08578	0.3
97.06493	0.2
97.10138	0.3
105.07057	0.2
106.07372	0.2
107.04936	0.3
107.08573	0.8
108.08904	0.5
109.06493	0.5
109.10148	0.2
119.08496	0.3
121.10120	0.4
122.03623	5.0
123.11680	0.3
134.10460	0.3
135.08083	0.2
136.12024	0.2
137.05952	100.0
138.06297	1.7
141.12715	2.5
146.32965	0.2
147.11543	0.2
149.09628	0.2
158.15433	1.8
162.07549	0.3
164.95599	0.2
170.15401	0.8
222.08350	0.4
270.75836	0.2
276.20334	1.5
294.21072	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2469
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
50.25063	1.1
55.01857	1.2
55.05505	8.9
57.07051	4.9
65.03912	2.3
67.05495	80.2
69.03395	1.3
69.07061	10.3
70.77776	2.3
70.78117	1.8
76.69763	1.1
79.05473	11.5
81.07043	100.0
83.04961	1.4
83.08589	4.5
85.06525	2.1
91.05469	7.0
93.07027	10.8
95.04963	1.3
95.08592	74.9
97.06472	2.0
97.10136	4.6
99.08038	2.0
105.07013	3.1
107.08557	9.0
109.06534	1.8
109.10137	43.6
117.06995	3.5
119.08575	2.3
121.10110	9.6
123.08043	2.3
123.11685	33.4
131.08549	4.2
133.10112	3.2
135.11703	6.3
137.09584	4.0
137.13216	10.5
139.11105	1.8
141.86835	1.2
145.10088	5.2
147.11670	3.1
149.09587	2.6
149.13213	4.6
151.11075	1.6
151.14778	4.1
159.11650	3.4
161.13234	3.3
163.11182	3.7
163.14853	2.6
165.12708	3.9
168.58563	1.2
173.13148	5.6
175.07486	2.0
177.12767	2.1
177.16399	2.8
179.14313	1.9
187.14813	3.8
191.07027	1.6
191.10718	1.9
191.14307	2.4
195.10158	1.3
197.62909	1.2
203.06989	6.5
205.15837	2.3
209.11639	3.1
215.06984	1.3
219.20970	1.5
221.08051	28.9
233.08031	2.9
237.11122	10.8
243.21049	6.8
251.19928	1.6
257.11621	2.1
261.22150	12.9
275.12766	8.1
293.10571	1.7
293.13812	11.5
293.24701	49.1
294.25266	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	294.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63233	0.2
57.00397	0.2
58.17595	0.2
63.02393	0.2
65.03916	0.3
67.05487	0.3
69.03430	0.2
69.07053	0.5
69.70868	1.3
70.06570	1.2
72.08129	1.3
73.02888	0.2
84.04483	0.9
84.08130	1.4
86.09676	1.5
88.03975	0.6
91.04889	0.4
91.05463	8.2
94.06524	0.3
95.04890	0.2
97.06487	0.3
98.06875	0.2
101.00645	0.2
102.05534	0.4
105.07005	0.2
107.04945	0.2
109.02872	0.2
110.07176	0.4
119.04922	25.5
120.05233	0.3
120.08073	1.2
122.06001	0.2
129.10251	0.6
130.04970	2.0
133.02849	0.2
136.07568	1.7
137.05952	0.4
146.05957	0.6
147.04382	100.0
148.04749	1.9
168.02917	0.2
174.05457	0.2
206.15332	0.3
221.08046	0.2
222.08366	0.3
230.13721	0.2
248.09099	0.5
248.14899	0.2
276.14157	0.4
294.09546	0.5
294.15384	0.9
294.25357	0.5
295.16376	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1178
Annotation	N-Acetylmuramate
Peak:m/z	Relative Intensity
55.01862	1.5
55.05497	1.4
56.05015	0.6
57.03433	3.3
57.22709	0.4
59.04998	0.5
60.04513	3.8
61.02917	3.8
67.05479	1.0
68.05018	1.4
68.05822	0.5
69.03417	7.8
69.07076	1.2
70.02968	1.0
70.06581	1.7
71.01340	0.9
71.04977	0.8
72.04507	10.3
72.08150	1.2
73.02908	24.7
79.05488	0.8
80.05000	1.1
81.03405	1.8
81.07039	1.0
82.06555	0.5
83.04948	0.8
84.04496	10.7
84.08137	0.7
85.02894	6.2
86.06067	1.0
86.09724	0.7
87.04427	0.5
88.03976	0.7
88.79852	0.4
91.05467	0.8
93.07043	0.6
95.08589	0.8
96.04471	4.6
96.37884	0.4
97.02882	5.8
98.06066	2.5
98.21526	0.7
99.04449	0.9
101.02450	0.5
102.05529	0.7
105.07034	1.3
106.06569	0.6
106.07318	0.7
108.04469	0.6
109.02890	1.5
109.10165	0.7
110.06028	1.3
114.05521	2.6
115.03910	4.7
116.07039	0.5
119.08582	0.7
120.08099	1.3
121.08513	0.5
122.06004	0.8
124.05602	0.5
126.05490	4.4
127.03913	3.4
131.08501	0.5
132.05252	0.7
132.06519	0.8
133.04906	0.8
133.10118	0.8
134.10431	0.5
138.05501	1.5
144.06546	7.4
145.04913	1.1
147.04390	0.6
149.02336	1.7
150.02663	1.5
150.05476	0.6
162.07593	100.0
163.07869	1.9
168.06589	0.9
174.07558	1.2
186.07587	1.2
192.06538	1.0
197.07382	0.5
198.07564	0.6
204.07066	0.6
204.08865	2.5
212.09335	0.4
214.02136	0.4
221.08029	1.0
222.08437	3.4
228.08661	0.5
240.08534	1.4
258.09662	5.0
258.12122	0.6
276.10657	9.9
276.13022	1.0
294.11752	33.0
294.25003	1.1
295.09320	0.7
295.12421	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2102
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03933	25.8
55.01860	15.9
55.05492	19.3
57.03416	4.3
57.07059	5.0
64.83082	2.7
67.05489	63.8
68.05788	3.0
69.03400	4.7
69.07048	39.4
71.05001	3.1
79.05475	45.3
81.02963	5.4
81.03400	51.4
81.07041	100.0
83.04973	15.4
83.08595	10.5
85.19098	2.7
91.05460	63.4
93.07027	43.1
95.01325	11.4
95.04937	15.9
95.08582	55.1
97.06495	23.9
97.10162	5.0
105.07013	86.8
107.04941	18.1
107.08564	20.7
109.06522	14.4
109.10131	12.4
111.08108	7.2
117.07001	19.4
119.08550	44.5
121.06534	4.7
121.10131	10.8
123.08067	14.2
123.11693	4.1
129.06975	4.3
131.08554	23.0
133.10091	56.6
135.08026	6.6
135.11678	11.8
141.06958	5.1
143.08519	6.7
145.06493	11.2
145.10095	21.1
147.11636	22.7
149.09599	9.2
149.13240	4.9
151.11105	5.2
157.10133	6.1
159.11632	16.5
161.13216	6.5
163.11159	5.9
165.09103	4.5
169.10089	3.9
173.06009	5.2
173.13220	4.5
175.07439	3.8
177.12732	8.4
177.56108	2.7
179.14282	16.6
181.04942	3.6
183.11656	4.1
187.07471	3.2
187.11148	14.2
191.06969	6.8
195.13823	5.4
197.13261	6.4
203.06929	15.4
205.12366	4.2
209.11647	5.0
215.06963	3.0
219.17448	5.8
221.08055	58.6
223.13330	2.8
229.19426	3.2
233.08084	6.0
237.11150	7.7
239.17798	3.0
241.14319	4.5
247.20477	3.4
257.11526	5.3
257.18979	6.2
275.12854	15.9
275.19989	93.8
276.20343	6.8
293.13824	18.9
293.21136	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	293.2106
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.96616	1.2
53.03933	3.5
55.01871	9.6
55.05504	43.0
57.03424	1.8
57.07053	3.5
59.44517	1.2
60.19687	1.1
65.03918	2.6
65.59293	1.1
67.05498	40.9
69.03410	6.1
69.07059	24.8
71.04975	4.4
71.17992	2.5
77.03902	1.2
79.05482	52.3
80.22040	1.3
81.03400	5.0
81.07043	36.6
83.04972	9.1
83.08614	24.0
85.02914	1.4
85.06529	1.5
91.05470	38.5
93.07031	31.9
95.04955	15.5
95.08592	30.7
97.06514	9.9
97.10155	26.4
98.10470	1.4
99.08061	1.8
101.94628	1.1
105.07009	40.1
107.04961	8.6
107.08575	99.2
108.08920	1.7
109.06515	7.7
109.10142	17.5
111.08044	4.4
117.06983	11.5
119.06015	1.8
119.08569	26.6
121.06477	4.3
121.10124	22.0
122.03562	1.3
123.08042	4.8
123.11669	4.4
125.09599	20.8
129.06946	3.5
131.08537	13.3
133.06493	1.4
133.10107	26.3
135.08020	4.9
135.11670	5.2
137.05951	19.5
137.09589	14.1
139.11212	6.5
141.07091	1.2
143.08551	3.9
145.06506	2.1
145.10100	15.1
147.08022	2.4
147.11662	15.1
149.09605	14.4
149.13284	1.7
151.11143	1.9
153.09155	1.3
155.08490	1.9
155.10612	2.0
157.10091	3.0
159.11664	8.6
161.05917	2.3
161.09537	1.8
161.13216	3.9
162.07578	1.4
163.11147	6.3
165.09024	1.5
167.10655	1.4
168.35170	1.2
169.10115	2.0
171.10237	1.5
171.11673	3.0
173.06046	1.7
173.11754	1.8
173.13263	4.0
175.11172	3.0
175.14804	1.8
177.12799	2.3
179.14375	1.4
180.36610	1.3
181.12292	3.6
183.11624	2.9
187.14735	1.5
189.11191	17.9
189.12708	2.0
191.07013	1.6
191.14268	1.5
192.14281	1.3
197.13232	1.5
203.06992	4.2
203.12775	4.8
209.11754	1.9
213.16452	1.4
221.08051	14.8
223.13309	4.3
229.19435	3.3
239.17844	8.0
247.20534	2.3
257.18985	12.1
275.12836	4.3
275.20010	100.0
276.20340	5.7
288.70325	1.4
293.13824	5.2
293.21030	33.4
294.21298	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2104
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03858	3.0
55.01784	7.9
55.02069	1.4
55.05421	15.7
55.05720	2.7
57.03342	2.9
57.06983	2.2
59.04932	1.1
61.02842	0.7
65.03857	1.2
66.29951	0.6
67.05405	31.1
69.03326	4.5
69.03718	1.3
69.06966	16.6
69.07384	1.8
70.19820	1.5
70.20216	1.4
71.04884	3.2
72.04412	1.7
73.02812	4.6
77.03832	0.8
79.05385	30.8
79.05887	2.3
80.05753	0.7
81.03305	6.3
81.06950	51.0
83.04871	7.9
83.08510	10.0
83.15157	0.6
84.04403	1.6
85.02796	3.5
85.06445	1.8
91.05459	25.9
91.13072	0.6
93.07024	28.8
93.07552	1.5
94.98863	0.7
95.04949	12.2
95.08585	23.4
95.09148	1.3
96.04395	0.6
97.02812	1.1
97.06513	12.9
97.10146	7.3
99.07993	0.9
103.05371	1.6
105.04498	0.6
105.07012	29.1
105.07658	1.5
107.04935	8.3
107.08570	37.3
108.08823	0.9
109.02780	0.9
109.06490	13.2
109.10129	12.1
111.04404	2.7
111.08053	3.2
111.11594	0.6
115.03802	1.3
115.05303	0.8
117.06995	8.5
119.04891	3.9
119.08556	25.8
120.84052	0.5
121.06491	4.6
121.10115	14.6
123.08031	6.4
123.11674	4.9
125.09602	8.1
127.07421	0.8
129.05394	0.9
129.06889	2.5
131.04884	4.1
131.08533	13.6
133.06337	2.2
133.10101	19.7
135.08018	4.4
135.11661	6.8
137.08630	0.6
137.09570	6.4
137.13167	0.8
139.11053	1.5
141.06879	1.0
141.09097	0.6
143.08411	2.5
144.06464	1.3
145.06378	1.5
145.10097	12.6
147.04372	18.8
147.08057	4.1
147.11655	14.5
149.09596	13.1
149.13228	4.2
151.11160	6.7
153.09012	1.0
155.08482	1.5
157.10098	3.1
159.07896	1.0
159.11659	9.0
161.09448	1.8
161.13170	4.5
162.07587	19.5
163.11150	9.3
163.14771	0.8
165.09097	3.1
165.12708	4.7
167.10608	1.1
169.09991	2.0
171.11594	3.2
173.05879	1.4
173.09456	1.0
173.13234	5.7
175.11052	2.6
175.14697	1.2
175.18069	0.5
177.12683	4.2
179.14183	2.1
181.12137	1.3
183.11566	2.3
185.13136	0.9
186.13919	0.6
187.07492	0.7
187.11104	2.7
187.14740	1.4
189.11201	5.9
189.12660	1.2
191.10625	0.7
191.14226	1.0
193.12128	1.0
195.13641	1.0
197.13126	1.9
201.05252	0.6
201.12628	1.5
203.06892	1.6
204.08513	0.8
205.12151	1.5
207.13731	1.5
213.16258	1.0
215.06879	0.7
215.14182	1.1
215.17848	1.3
219.13773	0.8
219.17204	0.6
221.08067	7.2
223.13179	2.1
229.19528	3.9
233.15289	0.9
233.19037	1.0
235.16803	1.0
239.17952	7.0
241.14079	0.7
247.20529	5.3
249.18523	0.6
257.18939	14.3
258.09659	1.8
258.19351	0.9
275.12625	2.5
275.19998	100.0
276.10742	1.5
276.20395	3.9
293.14032	4.4
293.21060	30.6
293.28073	1.0
294.11722	6.6
294.14517	0.8
294.21292	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2104
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03935	4.8
55.01853	4.7
55.05499	16.7
57.03414	2.5
57.07061	3.1
59.04993	1.1
60.03585	1.2
65.03926	1.4
67.05495	23.9
67.05842	0.8
69.03414	2.4
69.07054	28.8
69.85088	7.1
71.04957	2.3
79.05476	43.3
80.05786	1.3
81.03410	6.6
81.07037	28.8
83.04950	4.2
83.08612	12.2
85.06517	2.9
91.05463	22.9
93.07026	42.6
95.04942	7.5
95.08590	18.3
97.06506	4.4
97.10160	4.0
105.06409	0.9
105.07006	23.5
107.04935	54.9
107.08578	24.1
109.06519	2.9
109.10146	6.1
111.08044	2.7
115.05424	2.2
117.07021	7.4
117.07697	1.3
119.08562	18.2
119.21024	1.3
121.06491	3.9
121.10114	18.0
123.08054	3.2
123.11640	1.2
129.07043	2.2
131.08540	10.6
133.06406	1.4
133.10101	22.1
134.75443	1.1
135.08023	32.5
135.11658	3.5
137.09508	1.1
139.11153	5.1
145.06435	2.6
145.10091	7.3
147.11664	9.4
147.83792	1.2
149.09584	8.3
155.08566	1.8
157.10114	2.1
159.11658	5.1
161.13231	1.5
163.11122	3.2
173.05968	5.0
173.09575	3.1
173.13211	3.7
175.07463	2.7
177.05429	1.5
183.11913	1.0
183.13808	3.2
185.61855	1.3
187.07507	1.3
187.13312	1.9
191.07013	2.7
203.06973	9.8
203.12720	5.6
215.07013	2.3
215.17731	1.4
219.13768	2.6
221.08064	39.5
222.08333	2.2
233.08122	3.0
237.11218	4.9
239.17947	3.1
243.33183	1.4
247.20529	4.3
257.11713	2.2
257.19006	7.0
272.86578	1.3
275.12701	13.0
275.20007	100.0
276.20386	3.5
293.13776	12.7
293.21051	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	293.2104
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03928	3.6
55.01866	10.2
55.05503	58.6
57.03411	4.0
57.07058	2.1
67.05494	42.2
69.03404	4.2
69.07056	15.0
71.04967	6.1
76.30492	1.4
77.43646	1.3
79.05481	91.2
81.03400	4.7
81.07050	37.0
83.04482	1.5
83.04967	22.0
83.08605	22.2
85.06511	1.6
91.05466	32.8
92.05814	1.4
93.07029	46.5
94.86085	1.5
95.04978	9.7
95.08593	18.7
97.06506	3.3
97.10159	27.5
103.05447	1.6
105.06379	2.5
105.07018	33.9
107.04943	42.5
107.08581	69.3
108.08868	1.4
109.06473	6.5
109.10142	22.7
111.08065	5.1
117.07001	12.0
119.08568	26.5
121.06458	3.7
121.10121	23.1
123.08033	2.8
123.11656	6.6
125.09609	27.2
129.06987	2.2
131.08549	12.2
133.10118	22.6
135.08064	10.2
135.11656	5.9
137.09599	2.3
139.38261	1.4
145.10106	12.7
147.07982	2.2
147.11650	15.1
149.09599	85.1
149.13228	2.6
150.09947	2.6
153.09071	6.8
153.12697	1.5
155.10721	1.8
157.10069	3.3
159.11696	9.6
161.13242	7.5
163.11133	4.1
163.14769	5.1
167.10626	1.9
169.10103	2.4
169.12178	6.4
169.13458	1.4
171.11632	3.3
173.11647	5.1
173.13231	7.0
183.11658	1.9
187.11192	2.6
187.13269	3.8
187.14833	2.0
189.11198	22.4
189.12752	2.7
191.14240	3.5
197.13242	1.8
201.12794	2.2
203.07062	3.0
209.11766	1.8
209.15323	7.9
215.17952	2.6
221.08087	11.6
229.19333	7.9
233.15289	3.2
237.11121	5.2
239.17950	4.3
247.20551	4.2
257.18948	21.2
275.13116	2.5
275.20023	100.0
276.20288	7.5
293.13702	3.1
293.21075	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	293.2103
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03927	3.4
54.57401	1.0
55.01863	4.9
55.05256	1.2
55.05500	12.4
57.03428	2.6
57.07058	1.8
65.03945	1.1
67.05489	28.8
69.03419	1.4
69.07053	14.9
69.89565	4.4
71.04977	2.9
73.98684	0.7
77.03928	1.1
79.05474	33.5
81.03398	6.2
81.07037	100.0
82.07354	1.3
83.04956	4.2
83.08605	12.4
85.06526	1.9
91.05466	19.7
93.07018	17.1
95.04947	12.3
95.08583	18.3
95.09158	1.3
97.06494	5.4
97.10139	1.3
99.08064	0.9
105.07001	19.9
107.04928	7.0
107.08573	12.2
109.06490	40.4
109.10145	7.2
111.08054	5.2
113.06021	0.8
117.07001	5.8
119.08549	18.7
119.09340	1.4
121.06483	3.8
121.10112	10.2
122.86751	0.8
123.08060	7.9
123.11688	3.1
125.09566	1.4
129.06976	2.8
131.08525	10.5
133.06488	0.9
133.10104	14.1
135.08041	4.1
135.11682	5.4
137.09575	3.6
143.08508	1.4
145.06490	1.8
145.10075	9.3
147.08069	1.8
147.11665	15.5
149.09547	6.5
149.13248	5.6
151.11090	4.4
155.08646	0.8
157.10095	3.0
158.19217	0.8
159.11650	7.1
161.09628	1.7
161.13234	3.0
163.11142	7.4
163.14839	2.7
165.09099	1.0
165.12706	5.0
171.11688	1.6
173.06027	1.0
173.09532	1.4
173.13251	4.1
175.11148	4.2
177.12712	2.4
179.14328	0.9
183.11690	1.2
185.13371	0.9
187.11218	1.2
187.14825	1.2
191.14250	1.5
193.12167	4.4
197.13301	1.4
201.12585	1.5
203.06935	0.8
205.15869	1.2
207.13617	0.8
215.14395	0.9
215.18021	1.2
219.13838	0.8
219.17468	1.0
221.08067	4.6
223.13184	1.5
229.19469	2.5
239.17905	3.2
247.20567	5.9
257.18970	7.7
275.20001	62.9
276.20325	3.8
293.13800	1.2
293.21045	36.5
294.21323	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	293.2104
Annotation	12-OPDA
Peak:m/z	Relative Intensity
51.32504	0.6
53.03826	0.9
53.04042	0.8
55.01727	1.9
55.02016	1.9
55.05350	5.2
55.05651	5.2
57.03323	1.1
57.03557	1.2
57.06946	0.9
57.07189	1.0
65.03815	1.0
67.05322	12.7
67.05731	7.1
69.03268	1.5
69.06882	12.5
69.07310	6.6
69.50743	0.7
69.89558	3.6
71.04812	1.7
72.69775	0.9
79.05294	10.8
79.05814	3.8
81.03267	1.0
81.03680	0.8
81.06858	19.7
81.07398	6.4
82.07207	0.7
83.04781	5.0
83.05317	1.2
83.08417	3.5
83.08968	1.5
85.06393	1.0
86.24596	0.6
91.05274	11.6
91.05908	2.7
91.19138	0.6
93.06837	14.6
93.07492	3.3
95.04755	5.5
95.08392	13.2
95.09061	2.5
97.06313	3.0
97.10027	1.2
99.53242	0.6
101.45795	0.7
103.05309	1.1
105.06820	17.1
105.07609	2.6
107.04742	4.8
107.05515	1.3
107.08376	13.3
107.09167	2.1
109.06299	7.9
109.09936	7.0
109.10738	0.9
111.07915	1.3
115.05261	0.7
117.06802	5.8
119.08357	10.3
121.06279	8.4
121.09925	6.2
123.07846	3.7
123.11535	1.5
125.09489	1.4
129.06825	1.7
131.08356	10.2
133.06273	2.4
133.09906	15.2
135.07820	3.4
135.11464	3.7
137.09401	2.2
139.07246	0.6
141.06818	1.4
143.08365	2.0
145.06253	2.6
145.10088	9.6
147.07802	2.1
147.11662	10.1
149.09563	5.3
149.13020	2.3
151.11160	5.7
155.08389	0.9
157.09909	2.4
159.07851	2.1
159.11650	5.7
161.09592	3.3
161.13026	2.5
163.11188	3.1
165.12573	1.2
171.11459	1.4
173.05797	2.8
173.09395	2.8
173.13239	5.0
175.07352	2.7
175.10999	1.2
177.05246	1.1
177.12581	2.0
183.11534	1.8
185.13123	0.8
187.07393	1.2
187.11055	1.2
187.14661	1.1
188.84669	0.7
191.06834	1.9
191.14124	2.0
201.12631	2.5
203.07001	6.0
204.07413	0.8
205.08516	0.8
205.19438	1.1
207.13638	2.0
215.06972	1.3
215.17824	1.2
219.13675	4.9
221.08044	27.7
222.08191	1.5
229.12199	0.8
229.19394	1.7
231.17419	1.2
233.07927	2.7
237.14651	1.1
239.17874	2.6
247.20485	3.0
257.11584	1.9
257.18982	13.2
258.19376	1.1
275.13058	7.0
275.20010	100.0
276.20334	2.6
293.13840	8.1
293.21042	33.2
294.21216	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.5
55.01870	15.8
55.05502	44.3
57.03431	3.2
57.07064	8.9
67.05492	28.4
69.03421	3.1
69.07056	17.4
69.91024	6.2
71.04974	3.8
79.05482	45.1
81.03390	6.4
81.07050	31.5
82.83646	1.8
83.04948	7.6
83.08612	24.3
89.75050	1.6
91.05473	26.3
93.07031	29.9
93.20008	1.6
95.04954	83.8
95.08591	19.4
97.06532	18.0
97.10149	23.1
99.51304	1.6
105.07014	28.4
107.04926	9.1
107.06780	1.9
107.07883	3.4
107.08576	58.3
109.06490	9.1
109.10146	13.0
111.04427	4.9
111.08041	4.2
117.07011	11.3
119.08551	17.0
121.06487	4.5
121.10143	17.3
123.08013	5.3
123.11694	3.7
125.09608	21.6
129.06972	2.7
131.08565	10.4
133.10092	19.0
135.08028	6.5
135.11673	9.2
137.05962	5.0
137.09601	3.3
139.11194	1.8
143.08540	2.0
145.10110	20.6
147.08018	4.8
147.11681	10.2
149.09605	36.8
149.10762	3.1
149.13121	2.1
153.05473	3.8
153.09076	3.6
157.10065	3.3
159.11667	11.5
161.09604	4.6
161.13206	5.1
163.11153	22.5
165.09099	2.1
169.10104	2.4
171.10213	1.7
171.11661	2.5
173.13231	4.1
177.12692	4.2
181.04901	3.1
181.12163	2.2
181.72372	1.6
183.11624	2.8
187.11153	5.2
187.14807	2.2
187.30113	1.7
189.11192	21.3
191.10646	4.5
205.12152	5.6
209.11659	7.8
221.08064	5.3
223.13248	43.4
229.19489	4.5
237.11168	20.4
239.17918	2.7
247.20514	3.3
257.18958	12.1
258.19009	2.3
275.20026	100.0
276.20374	2.1
293.21063	65.0
294.21555	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	293.2105
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03937	3.3
55.01859	13.3
55.05504	23.3
57.03403	4.4
57.07051	1.9
65.03941	2.7
67.05495	32.0
69.03406	3.8
69.07056	72.0
70.44646	5.2
70.75093	1.4
71.04965	3.9
73.02885	1.4
73.06557	1.4
79.05479	43.1
81.03406	13.8
81.06583	2.0
81.07040	32.0
83.04969	8.8
83.08602	10.7
85.02878	2.0
85.06518	1.2
91.05466	27.4
93.06468	2.4
93.07031	35.2
95.04952	48.4
95.08584	21.4
97.06523	15.9
97.10145	13.2
97.26615	1.2
100.65992	1.5
105.07012	30.5
107.04931	16.2
107.08574	68.3
108.08902	2.0
109.06499	7.4
109.10140	9.7
111.08028	2.0
111.11632	1.5
112.05669	1.2
117.06982	9.6
119.08562	21.3
121.06470	5.9
121.10130	16.8
123.08029	4.8
123.11687	1.5
125.09615	9.6
129.07007	1.9
131.04869	2.5
131.08537	16.0
133.10114	19.0
135.08032	17.2
135.11671	5.3
137.09554	3.0
139.11182	6.0
143.08519	3.9
145.06496	1.6
145.10081	10.2
147.11665	12.2
149.09587	11.8
149.13263	2.7
149.41977	1.6
151.11208	3.3
155.08418	1.8
157.10100	2.4
159.11659	10.6
161.05981	3.0
161.09593	2.1
161.13281	2.7
162.07628	3.6
163.07541	1.8
163.11124	5.5
165.12756	1.2
171.11655	2.1
173.05908	1.7
173.13231	4.7
177.04109	1.6
177.05426	10.1
177.12701	7.8
178.06213	7.0
179.14330	1.6
183.11562	1.8
185.13208	1.8
187.11206	2.0
189.11153	8.0
191.06932	2.7
191.14305	2.6
197.13239	2.2
201.12720	2.7
203.07103	1.7
203.12759	5.9
205.12225	2.9
207.13727	6.8
219.13847	3.4
221.08083	7.3
225.14786	4.7
233.11685	16.5
237.14803	30.3
239.17903	4.6
240.64452	1.7
247.20578	3.8
257.18939	9.1
275.12613	2.7
275.20013	100.0
276.20300	4.0
293.13898	3.3
293.21048	72.1
294.21359	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	293.1376
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86553	0.3
51.72705	0.3
53.03931	1.1
55.05501	23.9
55.55791	0.3
57.03410	0.4
57.07045	0.5
59.04971	0.5
65.03909	1.2
65.62115	0.4
67.05491	1.6
69.03404	1.0
69.07030	1.2
70.06593	0.4
71.04985	0.7
71.53158	0.3
72.08127	0.8
73.02877	0.6
73.06542	10.3
79.05463	1.5
81.03398	0.9
81.07035	3.3
84.04462	0.4
85.02887	0.8
85.06528	0.7
91.05459	2.7
93.03385	0.6
93.07009	2.1
95.04965	0.5
95.08597	1.7
97.06474	0.4
103.05441	1.0
104.75089	0.3
105.07008	3.8
107.08574	1.6
109.02878	0.6
109.06462	0.5
109.10127	1.9
115.05470	0.3
117.05511	0.4
117.07001	1.0
117.70374	0.4
119.08527	1.1
121.02831	5.4
121.03800	0.6
121.03992	0.6
121.06477	0.5
121.10116	1.2
123.08035	0.6
123.11670	0.9
128.06169	0.5
129.06961	3.7
130.80856	0.3
131.04889	3.0
131.08522	2.7
133.06436	0.4
133.10138	2.9
135.11642	0.7
137.09569	0.5
139.11121	0.3
143.04893	1.4
145.06436	0.5
146.05969	0.4
147.08020	0.9
147.11607	0.4
149.02310	100.0
150.02652	1.5
157.06448	0.9
159.08038	0.6
159.11665	0.5
161.05945	6.0
161.09601	1.1
162.07605	1.7
167.03401	2.2
171.08025	0.4
173.05910	0.8
173.13251	0.5
175.07513	18.9
176.07751	0.5
177.16306	0.4
185.05870	0.7
187.07462	0.5
190.05072	0.4
191.07030	0.6
203.06990	29.3
204.07425	0.6
221.08038	7.7
221.10118	0.6
227.08237	0.4
233.07996	0.6
257.11813	0.6
257.18933	0.5
275.12753	7.7
275.19928	0.5
293.08426	0.7
293.13959	8.1
293.17361	0.6
293.21609	0.6
293.24799	1.5
294.11713	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0024
Annotation	Alcalinaphenol F
Peak:m/z	Relative Intensity
69.43743	64.5
69.44089	9.8
86.68056	7.0
88.48598	7.5
98.20762	15.4
148.65884	8.2
150.32089	8.9
162.22685	6.8
262.09976	7.3
268.97144	7.7
293.00256	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0626
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21205	1.7
52.90823	1.9
70.80436	4.1
70.80780	2.9
93.81388	1.8
96.64829	2.0
104.10700	2.9
160.16982	2.0
161.99516	5.2
293.06281	100.0
294.06735	3.3
312.35263	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1377
Annotation	40321-98-0
Peak:m/z	Relative Intensity
53.03926	1.0
54.58490	0.3
55.05502	25.5
57.07046	0.3
58.75488	0.3
65.03928	1.5
67.05480	0.9
68.42509	0.3
69.03433	0.5
69.07047	0.8
69.63756	1.9
71.04970	0.6
71.17720	0.3
73.02890	0.9
73.06544	9.9
76.50957	0.3
79.05478	0.4
81.03394	0.5
81.07038	1.5
83.04967	0.6
84.08119	0.3
85.02902	1.3
86.09697	2.6
91.05467	2.2
93.03387	0.7
93.07018	1.1
95.08566	0.7
97.06512	0.3
98.20775	0.6
103.05434	0.8
105.07006	1.8
107.08565	0.6
109.10149	1.1
111.04432	0.5
115.05432	0.4
117.06973	0.7
119.08564	0.9
120.08093	6.5
121.02852	4.5
121.03761	0.5
121.06451	0.4
121.10104	0.5
123.08023	0.3
123.11700	0.3
127.03898	0.3
128.06216	0.3
129.05502	0.3
129.06973	2.4
131.04854	0.9
131.08543	3.1
133.10130	1.5
143.04886	1.0
145.06424	0.4
145.10173	0.4
146.11766	1.0
147.08038	0.9
149.02319	100.0
149.13197	0.3
150.02664	1.9
152.08650	0.3
157.06468	0.7
161.05951	5.7
161.09589	0.9
162.07594	2.0
167.03386	1.8
173.05966	1.1
175.07523	21.2
176.07796	0.5
180.10199	1.7
185.05960	1.1
190.04979	0.5
203.07004	29.6
204.07365	1.2
215.06917	0.3
221.08049	6.5
257.11633	0.4
262.12018	0.3
272.58090	0.3
275.12784	7.7
275.19992	0.4
276.13214	0.3
293.08710	0.4
293.13834	8.8
293.18182	0.6
293.21512	0.3
293.24884	0.6
294.11649	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.157
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07811	0.7
55.01809	1.5
55.05440	5.1
55.52507	0.6
57.03391	1.3
57.07007	0.9
58.99533	1.5
61.01084	3.2
62.99026	0.6
67.05421	6.5
68.04941	0.6
69.03381	0.7
69.06998	2.3
70.06509	2.6
70.06845	0.6
70.52574	1.4
70.52968	1.4
71.04954	1.3
71.08613	22.7
71.08974	1.3
74.00576	1.0
76.02210	3.9
79.05410	1.8
81.07037	3.6
82.07309	0.6
83.04961	7.6
83.08546	1.3
84.08052	0.8
85.01073	0.7
85.05706	0.7
85.06471	1.1
86.09649	0.8
86.98976	2.0
87.02612	2.6
89.00590	4.6
91.05433	1.5
92.04957	1.3
93.06960	2.0
95.04909	1.0
95.08519	1.9
97.10098	2.3
99.08070	20.3
103.05382	1.0
105.00049	4.5
105.06955	2.2
107.08517	1.7
109.10141	5.1
113.04197	1.6
117.07021	0.7
118.06466	3.9
119.07205	0.8
119.08532	0.8
120.08060	1.0
122.02700	20.6
124.11929	0.6
127.11184	4.0
131.04855	2.3
133.10074	1.4
135.11641	0.7
136.06172	7.7
153.12703	7.9
159.04762	1.0
159.08353	34.2
161.09517	1.0
162.09102	4.3
163.09920	1.0
171.13765	2.4
175.08612	3.5
185.09911	100.0
186.10194	2.1
197.15390	0.7
200.11357	0.6
202.15829	0.7
203.10988	3.6
221.08118	1.8
228.14102	2.0
230.15363	6.3
274.14630	19.3
292.11899	1.2
292.19101	39.8
293.19189	1.3
306.56619	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	0.9
56.05006	0.7
57.07061	2.0
58.99576	4.4
60.04515	1.4
67.05492	2.0
69.89082	2.6
70.06577	4.6
72.08139	0.6
76.02216	9.9
79.05424	0.7
83.01343	1.3
84.04499	1.5
84.08129	92.5
85.02881	0.8
85.06520	0.7
85.08469	1.3
86.09683	1.9
86.99040	2.3
87.05600	2.0
88.03982	0.7
91.05466	2.0
93.07013	1.2
98.20764	0.8
105.00065	5.9
107.08560	0.8
110.06030	1.5
110.07129	0.9
111.00780	0.9
112.07645	0.9
115.46233	0.8
118.96773	0.7
119.04925	2.7
120.08107	0.8
122.02709	57.1
126.09117	5.5
129.10222	31.8
130.06549	1.1
130.08592	1.3
130.10559	0.8
132.04445	0.9
140.04156	0.9
146.06003	1.6
147.04401	12.4
153.09090	0.8
154.08606	100.0
155.08939	2.0
165.05440	0.9
171.11244	5.6
178.70477	0.6
188.07231	4.3
203.07059	1.1
205.09714	1.5
208.09718	0.8
216.06787	1.0
221.08005	3.5
233.09637	1.5
237.58569	0.7
275.13715	1.5
279.55026	0.8
292.13193	2.1
292.23734	1.1
293.06494	1.9
293.14737	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.157
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46268	0.4
55.01862	0.6
55.05502	7.4
57.03430	2.5
57.07051	1.3
58.99578	2.3
61.01137	3.7
62.99048	1.2
67.05495	7.0
69.07052	2.1
70.86232	0.6
70.86593	0.9
71.04968	0.6
71.08618	24.7
72.08144	0.4
74.00638	1.2
76.02213	4.3
77.00598	0.8
79.05479	1.5
81.07032	2.6
83.04965	5.1
83.08578	1.3
84.08095	0.7
85.01112	0.6
85.06529	1.1
86.99038	3.1
87.02651	2.0
88.02183	1.8
88.03965	0.7
89.00603	5.4
93.07027	1.2
95.04936	0.8
95.08547	0.6
97.06518	0.5
97.10156	2.9
99.08073	19.1
102.03751	0.7
105.00079	7.0
107.08559	2.1
109.10142	5.8
113.04220	1.2
115.02141	0.7
122.02707	27.2
127.11171	8.1
130.06660	0.8
146.05872	0.5
148.04172	0.7
153.12735	6.7
159.04826	2.5
159.08360	45.2
161.63017	0.4
171.13751	1.6
176.07402	1.5
183.11972	0.6
185.09921	100.0
186.07532	0.5
186.10243	1.9
203.06952	0.6
203.10951	5.1
211.11548	0.8
221.08089	2.6
228.14134	2.3
229.12450	0.6
246.09578	1.0
248.13063	1.9
274.14667	23.0
275.12479	0.9
292.15692	1.8
293.13715	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2313
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
50.41084	0.9
53.03935	4.3
55.05233	1.3
55.05502	18.6
57.07061	3.4
57.83723	1.0
65.03938	1.3
67.05495	35.4
69.03390	1.8
69.07062	16.6
69.46909	4.6
69.47330	2.8
71.04982	0.9
73.06551	1.1
79.05482	68.5
80.05834	0.9
81.07047	42.6
83.04950	1.8
83.08614	8.9
85.06524	4.1
91.05466	27.5
93.07030	100.0
94.07317	2.2
95.04955	6.6
95.08592	30.2
96.70705	1.0
97.06516	1.6
97.10133	4.2
99.08086	1.2
105.04477	1.7
105.07017	17.6
107.08579	56.4
108.08995	1.0
109.06476	3.5
109.10142	13.6
111.08072	1.8
117.07011	2.7
119.08570	14.8
121.10122	50.0
122.10378	0.9
123.08027	2.4
123.11710	4.0
125.09630	1.3
128.27985	1.0
129.06978	2.5
131.08531	5.9
133.10120	13.1
135.08031	1.9
135.11670	51.0
137.09596	3.0
140.90102	0.8
143.08519	2.8
145.10094	5.2
147.11662	10.5
149.09631	3.8
149.13234	29.4
151.11176	2.0
157.10075	3.0
159.11656	4.2
161.09596	1.1
161.13231	10.1
163.11165	2.6
163.14796	11.5
165.12665	1.3
171.11623	4.4
173.13234	3.3
175.11182	2.2
175.14720	5.0
177.12663	2.0
177.16357	1.4
181.12048	1.0
182.80052	0.9
185.13257	3.2
189.12700	2.1
191.14412	1.0
195.13818	1.7
199.14830	1.8
203.14282	2.1
207.13570	1.1
209.15396	1.4
213.16438	2.5
217.15875	0.9
217.19510	2.2
221.15355	1.2
231.17448	1.9
231.21124	1.6
235.16864	1.7
241.19531	6.0
249.18486	2.6
259.20532	9.9
291.23145	85.1
292.23468	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	291.1949
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03921	0.6
55.01855	2.0
55.05501	7.4
57.03419	0.4
59.04978	0.5
65.03923	0.4
67.05161	0.4
67.05489	4.6
69.03409	1.3
69.07050	2.9
71.04971	0.7
79.05475	6.0
81.03400	0.7
81.07040	6.5
83.04961	1.5
83.08208	0.3
83.08607	3.4
86.09670	0.6
91.05459	6.6
91.08181	0.3
93.07028	6.0
94.04153	0.3
95.04948	3.1
95.08588	3.2
97.02867	0.3
97.06524	0.6
97.10158	3.9
98.98466	0.4
104.10744	0.7
105.03365	0.3
105.07010	5.7
107.04944	2.4
107.08572	3.6
109.06487	1.1
109.10141	1.4
111.08012	0.4
115.05404	0.3
116.06191	0.4
117.06993	2.9
119.04905	1.5
119.08564	4.9
121.06495	2.0
121.10147	1.3
123.04364	0.4
123.08062	1.3
123.11726	0.3
125.00007	0.4
125.09612	1.7
128.06123	0.3
129.06987	1.4
130.06491	0.4
130.07741	0.6
130.54077	0.3
131.08528	3.7
132.05678	0.3
133.06479	2.8
133.10088	1.1
134.07251	0.7
135.08058	1.3
135.11650	0.5
137.09584	0.5
143.08537	1.1
145.10115	2.7
147.08028	3.5
147.11623	0.4
149.09605	1.4
149.54826	0.9
157.10115	1.1
157.41095	0.3
158.55350	0.7
159.08008	0.4
159.09206	0.3
159.11711	0.6
161.09566	1.1
161.13228	0.3
162.10387	0.9
163.11137	0.9
165.09134	0.3
170.06207	0.4
171.11656	0.8
175.11165	0.8
177.09087	0.3
182.66313	0.2
185.13245	0.3
188.07042	0.4
189.11147	1.1
189.12689	0.4
199.11229	0.3
223.13208	1.3
240.09958	1.0
245.09097	0.4
245.18988	0.4
249.14844	1.2
249.18414	0.7
255.17326	0.5
261.14688	0.4
270.64975	0.8
273.18469	4.8
291.19479	100.0
292.19751	1.8
301.20038	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1951
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03941	0.5
55.01855	1.7
55.05501	5.8
57.03419	0.4
57.07052	0.4
58.55453	0.3
67.05491	4.3
69.03426	1.5
69.07054	3.7
69.45867	2.2
71.04968	0.6
73.47543	0.3
79.05480	5.5
81.03389	0.7
81.07043	5.8
83.04944	1.0
83.08607	3.2
88.64684	0.3
91.05473	4.1
93.07024	5.5
95.04939	1.8
95.08586	3.2
97.06509	0.5
97.10154	3.3
98.21487	0.6
105.03352	0.4
105.07016	4.9
107.04926	2.5
107.08564	3.5
108.05698	0.3
109.06491	0.9
109.10118	1.0
111.08126	0.3
117.06996	1.6
119.04910	1.0
119.08553	4.3
121.06473	1.4
121.10117	1.8
123.08042	1.4
125.09589	1.4
128.06194	0.5
129.06958	1.1
129.31120	0.4
129.61082	0.3
130.06494	0.4
130.07773	0.5
131.08540	2.3
132.08014	0.4
133.06496	2.9
133.10095	1.1
134.07224	0.9
135.08038	0.8
135.11626	0.8
143.08510	1.1
145.10126	2.1
147.08028	3.3
147.11667	0.8
149.09598	0.9
157.10121	0.9
159.11661	0.7
161.09599	1.2
162.10378	1.2
163.11179	0.5
165.09082	0.8
173.13300	0.4
175.11153	0.4
207.13870	0.3
223.13214	1.3
233.38794	0.3
245.09143	0.4
249.14761	1.8
262.15558	0.5
273.18478	2.6
273.21115	0.4
291.19485	100.0
292.19864	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	291.1948
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03931	2.3
55.01854	1.8
55.05499	12.5
57.03439	1.8
57.07059	3.6
59.04972	1.2
61.58798	0.9
67.05492	15.1
69.03413	6.3
69.07057	15.2
69.27708	9.6
70.06570	1.2
71.04979	4.1
71.08604	1.4
72.08143	1.2
79.05476	16.6
81.03401	6.9
81.07037	25.7
83.04968	4.0
83.08604	8.0
84.08128	3.9
85.02893	2.5
85.06513	1.8
87.04440	0.9
91.05468	11.3
91.34153	1.0
93.07020	31.9
95.04951	15.0
95.08588	22.6
97.06525	4.2
97.10164	5.0
99.04459	1.2
100.52770	0.9
105.07005	16.5
107.04939	5.6
107.08572	17.4
109.02877	2.4
109.06486	14.8
109.10158	9.7
111.04417	2.1
111.08064	2.8
111.11697	3.2
115.05470	1.0
116.73723	1.0
117.07004	3.6
119.08556	14.9
121.06496	2.1
121.10118	35.7
123.08038	5.0
123.11671	5.6
125.09617	5.4
127.03872	1.8
129.06976	1.6
130.06506	4.3
130.07678	0.8
131.08563	5.8
132.08041	1.6
133.06451	2.0
133.10088	7.6
135.08035	6.5
135.11664	6.1
137.09601	3.5
137.13251	2.6
139.11159	4.3
141.06952	1.5
143.08556	3.6
145.10077	5.6
146.05977	1.3
147.08047	4.8
147.11656	5.7
149.09602	14.5
149.13223	4.7
151.07512	1.7
151.14795	2.0
151.26460	0.9
157.10092	3.7
159.07941	2.0
159.09177	2.9
159.11659	2.6
161.09610	2.8
161.13307	2.4
163.11165	2.2
163.14824	2.2
165.12711	1.4
167.10645	100.0
168.11003	1.7
169.10117	1.1
170.05978	2.3
171.11650	2.6
173.09592	1.8
173.13223	5.0
175.11192	3.3
175.14771	1.6
177.16269	1.3
181.10149	1.2
184.07535	1.6
185.07089	3.0
185.13290	1.2
187.11177	2.0
188.07092	1.6
189.11194	1.7
189.12772	2.2
189.16417	1.4
191.10657	3.2
191.14314	3.6
195.13695	1.1
197.13242	2.6
201.12617	1.0
213.16388	1.2
215.14272	2.4
217.12181	1.3
217.19527	1.8
223.13246	1.1
227.08153	2.7
227.17632	1.1
233.15335	10.9
241.14319	0.9
245.09236	5.0
255.17451	4.1
266.85526	0.9
273.08389	1.2
273.18408	15.8
273.25714	4.3
291.12332	3.0
291.19516	21.7
291.23227	2.1
291.26712	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	291.195
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
52.10832	2.1
53.03922	6.8
53.29429	1.7
55.01861	13.9
55.05508	16.3
57.03434	9.5
57.07052	4.4
58.66928	1.8
61.12468	1.8
65.03938	2.3
67.05495	43.6
69.03398	6.2
69.07063	15.8
69.67770	2.1
71.04990	3.5
71.08603	2.0
71.52589	2.8
79.05480	44.6
81.03398	16.3
81.07047	42.0
83.04964	5.5
83.08601	9.9
85.02882	2.0
85.06503	3.7
85.16863	1.8
91.05466	40.1
93.07028	40.9
95.04951	16.8
95.08596	66.2
97.06507	5.8
97.10130	2.7
98.98437	3.1
104.10717	4.2
104.52377	2.1
105.07009	30.1
107.04939	27.7
107.08567	25.7
109.02848	1.9
109.06504	32.9
109.10135	8.9
111.04445	3.0
111.08047	5.8
115.05433	3.7
116.06212	2.7
117.06998	13.9
119.08569	22.0
121.06490	9.8
121.10134	13.2
123.08039	21.4
123.11668	3.0
125.09649	3.5
129.06952	7.8
130.06493	5.8
131.08546	21.4
133.06454	7.3
133.10132	16.8
135.08040	52.1
135.09010	4.3
135.11674	4.8
137.09575	7.5
143.08510	7.0
145.10109	13.7
147.08002	8.3
147.11674	7.9
149.09599	22.7
149.13274	2.9
151.11125	2.8
157.10071	6.4
158.55397	2.2
159.07997	3.4
159.09155	5.2
159.11664	8.3
161.09602	17.2
163.11140	4.8
165.09108	3.2
170.06071	2.5
171.11674	6.7
175.11153	9.2
177.09087	3.0
179.10632	4.3
182.86340	2.1
185.13295	3.7
187.11086	2.1
188.06976	3.2
189.12807	5.2
199.14850	3.1
207.13799	2.4
213.16341	2.3
213.69315	1.9
217.15871	9.1
227.08138	2.9
227.17903	3.1
231.17390	2.9
237.16327	2.7
245.09279	4.2
245.19032	5.4
255.17464	9.1
263.20233	2.9
273.18445	42.2
291.19510	100.0
291.26761	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1948
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03911	1.4
55.05301	0.9
55.05505	9.0
57.03411	2.3
57.07053	2.2
59.04985	2.4
61.13140	0.9
67.05479	4.6
69.03401	3.7
69.07042	3.1
71.04968	3.3
71.23663	2.1
72.14073	1.0
72.67822	1.0
79.05473	11.3
81.03394	1.0
81.07050	9.2
83.04961	3.1
83.08607	9.7
85.02867	2.4
85.06509	2.4
88.54223	1.2
91.05475	7.1
93.07024	11.6
95.04958	6.3
95.08591	20.3
97.06515	7.0
105.07025	9.0
107.04947	16.2
107.08566	10.4
108.05676	1.9
109.06509	11.2
109.10132	3.3
111.04402	1.7
111.08064	42.5
111.56846	1.3
113.09605	2.1
116.75143	1.0
117.06996	1.7
119.08555	9.6
121.06503	2.1
121.10086	7.3
123.08044	33.9
123.08931	1.7
123.11700	1.4
125.09592	3.0
130.06514	1.0
130.07811	1.1
131.08527	8.0
133.06453	3.6
133.10114	10.6
135.08020	6.8
135.11678	3.0
137.09595	2.5
142.07704	1.7
143.08508	2.1
145.10117	7.4
147.07994	3.0
147.11635	6.7
149.09517	6.1
151.07518	100.0
152.07855	1.7
153.09062	1.5
155.10645	3.8
156.09323	1.5
157.10115	4.3
158.73421	1.1
159.07968	2.3
159.09169	1.5
159.11688	1.8
161.09587	4.2
161.13249	1.2
163.11153	4.9
167.10625	2.0
169.12183	2.3
171.11659	4.6
173.09596	2.5
173.13229	9.3
175.11119	6.7
177.09050	2.9
179.10567	5.3
181.12286	1.9
182.08046	1.2
189.12711	29.7
191.14276	18.1
192.11432	4.0
197.11699	17.2
197.13330	1.6
205.12213	1.4
207.13762	66.0
211.13260	3.3
213.16263	1.5
215.14267	4.0
217.12219	3.1
221.15320	1.4
231.17409	2.2
233.15326	53.8
235.13263	3.1
249.18425	2.9
255.17360	2.7
273.18445	8.3
291.19492	78.4
292.19717	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1949
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
52.25122	0.9
52.87749	0.8
53.03937	1.3
55.01865	1.6
55.05506	6.1
57.07052	4.0
59.04974	3.3
63.13348	0.8
67.05486	5.9
69.03401	3.0
69.07040	3.9
70.06579	0.8
71.04973	4.1
71.09981	2.2
79.05472	7.7
81.03386	1.8
81.07040	8.6
83.04965	3.6
83.08604	4.7
84.08150	5.2
85.02896	2.5
85.06522	3.6
88.07606	1.0
91.05457	6.8
93.07024	11.1
95.04947	5.8
95.08588	15.2
97.06503	5.3
99.04394	1.0
99.08062	1.0
105.07005	10.8
107.04923	6.7
107.08579	9.6
108.05696	0.9
109.06496	10.0
109.10143	4.7
111.08061	28.1
113.05991	1.0
113.09632	2.1
114.35030	1.0
115.07089	0.8
117.06977	3.9
119.08544	11.6
121.06471	3.2
121.10124	7.6
122.07263	1.8
123.08044	34.8
123.08940	1.8
123.11645	2.3
125.05918	0.9
125.09589	1.3
127.12246	1.4
129.06955	2.2
130.06543	2.3
130.07739	1.3
131.08542	7.5
132.08054	1.0
133.06487	4.6
133.10104	8.9
135.08023	7.5
135.11647	3.9
137.09610	4.5
142.07736	1.9
143.08517	2.7
145.10107	19.3
147.08009	4.3
147.11649	8.5
149.09602	7.0
149.13301	1.4
151.07512	100.0
152.07808	1.0
155.08511	1.0
155.10599	2.6
156.09285	1.9
157.10097	7.9
158.10907	1.3
159.08028	2.1
159.11685	6.7
160.73026	0.7
161.09627	4.9
161.13228	2.3
161.71214	0.9
163.11127	5.0
165.09076	1.2
171.11627	4.7
173.09610	2.4
173.13214	6.7
174.10339	2.1
175.11194	5.3
177.09077	1.9
177.12709	3.1
179.10690	5.0
181.09984	1.1
181.12291	1.0
183.11700	1.0
185.13264	2.5
187.11176	5.6
187.14809	2.3
188.06984	1.1
189.12700	32.6
191.14305	5.6
192.11369	3.1
197.11703	15.5
197.13277	2.9
199.11128	1.3
203.14244	2.7
205.12170	1.1
207.13760	67.2
208.14207	1.3
213.13168	0.9
213.16284	3.1
215.14278	7.4
217.12173	3.2
227.08157	1.1
229.23521	2.6
231.17339	2.7
233.15338	23.1
235.13176	2.1
245.09189	2.8
249.18379	2.0
255.17368	4.4
273.18408	14.4
291.19492	65.9
291.26837	6.5
292.19769	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.097
Annotation	N-Malonyltryptophan
Peak:m/z	Relative Intensity
50.80914	0.8
51.78826	0.8
62.29630	0.9
69.86211	1.0
71.16972	1.8
80.37451	0.8
87.00824	1.6
88.03972	1.5
115.05436	3.8
117.05716	1.0
117.06991	1.3
118.06522	11.1
124.29887	1.0
129.06935	1.0
130.06502	100.0
131.06825	2.2
132.08069	37.2
132.12503	0.9
133.08421	1.3
142.06471	8.7
143.07297	1.1
144.08055	4.5
146.05980	18.6
154.06366	1.0
156.02896	1.9
156.08040	4.2
157.07536	5.0
158.05945	1.9
158.08356	4.8
159.09146	91.5
160.07552	9.0
160.09488	3.1
167.05968	1.8
169.07544	3.5
170.05975	31.5
171.99760	1.0
172.07509	1.6
174.03979	1.4
181.07539	2.6
182.05971	2.0
183.09123	3.9
184.07515	15.8
185.07063	45.0
186.07405	1.0
187.08643	4.1
188.07021	40.2
199.08640	2.2
200.07010	10.0
201.10172	14.5
205.09657	1.0
209.06999	2.2
218.08092	1.0
227.08102	43.6
228.08463	2.2
229.09680	2.8
231.07574	2.6
232.23116	1.1
245.09177	91.7
246.09406	2.0
255.07590	5.0
273.08636	13.8
291.09653	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1948
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
53.03934	2.7
53.33232	0.8
55.01868	9.6
55.05262	1.2
55.05503	14.8
57.03427	14.7
57.07052	1.3
65.03923	2.9
65.49780	0.9
67.05495	32.3
69.03410	3.8
69.07049	7.2
69.75767	3.0
69.76181	2.5
70.06571	1.0
71.04961	2.3
73.06516	0.8
76.52602	0.9
79.05479	27.3
81.03395	4.0
81.06572	1.8
81.07039	26.3
83.04959	3.9
83.08623	6.1
84.08115	1.3
85.02866	1.1
85.06534	4.9
91.05464	25.3
93.06460	1.6
93.07023	21.2
95.04954	28.5
95.08596	14.1
97.02873	0.9
97.06516	2.4
97.10133	3.6
99.08086	1.6
103.05413	1.3
105.07011	23.1
107.04930	7.5
107.07887	1.1
107.08578	16.3
109.06499	100.0
109.10146	4.6
111.04419	1.0
111.08060	5.2
113.05968	1.4
113.09753	0.8
115.05436	2.4
116.06218	1.6
117.06992	15.0
119.04954	1.5
119.08562	16.6
121.06499	7.4
121.10117	9.8
123.08053	10.1
123.11765	1.0
125.09601	2.2
128.06215	2.4
129.07008	7.2
130.06483	3.7
131.08554	20.3
132.08064	1.4
133.06465	3.5
133.10086	8.6
135.08034	39.1
135.11615	4.8
137.09607	3.3
141.06973	1.2
142.07712	1.8
143.08517	8.1
145.10106	14.6
147.08025	10.6
147.11641	4.7
149.09610	9.9
149.13245	1.8
151.07518	9.0
151.11115	1.1
153.09093	1.5
155.08545	1.6
157.10098	8.5
159.08012	3.6
159.09158	2.9
159.11647	6.8
161.09596	12.4
161.13242	2.8
163.11162	7.1
165.09097	2.2
169.10077	1.2
170.05988	1.1
171.11661	6.1
173.09561	1.3
173.13190	1.8
175.11186	6.0
175.14775	1.2
177.12708	1.1
181.10088	1.8
183.11626	2.9
185.06944	1.2
185.13225	2.2
187.11230	1.4
188.07021	2.0
189.12706	4.1
189.16217	1.4
195.11627	2.5
195.13605	1.6
197.11801	1.9
199.11237	1.8
199.14743	4.6
201.12697	2.2
207.13791	6.0
209.13159	1.3
213.16409	1.0
217.12279	1.6
217.15829	18.3
219.13832	1.9
227.08278	1.5
227.17944	2.8
231.13763	1.3
231.17245	1.0
233.15131	1.0
237.16350	2.6
245.09198	3.4
245.18945	3.1
249.14857	1.5
255.17352	9.8
273.18457	41.4
291.19482	92.0
291.26825	2.9
292.19962	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	291.0857
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
51.02364	0.6
53.00289	0.3
53.03940	0.4
55.01861	1.6
61.86733	0.4
62.52457	0.3
65.03912	0.7
67.05475	1.1
68.99776	1.6
69.03396	0.5
69.65908	2.3
70.72092	0.2
70.76669	0.3
79.05493	0.4
83.04961	1.4
84.08130	0.3
85.02885	1.2
91.05444	1.7
93.03387	1.0
95.04956	3.2
97.02889	0.4
98.20767	0.7
99.00818	0.4
105.06964	0.4
107.04944	0.7
111.04410	2.4
115.05419	1.3
119.04922	5.1
123.04404	64.2
124.04758	1.5
127.03874	1.2
130.06418	0.7
133.06480	1.2
135.04373	0.6
137.02306	0.9
137.05940	0.8
139.03874	100.0
140.04236	1.6
143.04851	2.0
147.04378	21.2
148.04729	0.4
151.03848	2.7
151.07446	0.6
153.05470	0.7
153.12711	0.8
159.04335	0.4
159.09146	1.1
161.05951	7.3
162.06406	0.3
163.02675	0.3
163.03879	1.9
165.05446	15.3
169.04926	1.5
177.05415	0.8
179.07021	2.9
181.04890	0.8
188.07169	0.4
189.05428	1.5
203.06955	0.6
205.08649	0.4
207.06488	6.6
231.06519	0.4
237.14531	0.3
245.09158	0.7
249.07530	1.2
273.07550	1.7
291.08582	8.4
311.77960	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.5
51.81865	0.3
53.00293	0.4
53.03936	0.4
55.01858	1.7
55.05506	0.4
65.03928	0.8
67.05482	1.4
68.99780	1.5
69.03430	0.5
69.07059	0.6
70.06581	0.6
70.69377	0.3
70.69712	0.8
72.08151	0.6
79.05493	0.6
83.04960	1.1
84.08137	1.0
85.02884	1.2
86.09692	0.8
91.05448	1.7
93.03384	1.1
93.07020	0.8
95.04958	3.2
95.08588	0.5
97.02911	0.8
99.00793	1.9
99.04479	0.3
105.03400	0.4
105.07019	1.0
107.04929	0.8
107.08596	0.9
109.02885	0.5
111.04410	3.5
111.08070	1.1
115.05437	1.2
118.06509	0.4
119.04922	5.9
122.44490	0.4
123.04406	62.3
124.04745	1.1
125.09626	0.4
127.03902	1.2
130.06499	3.3
132.08098	1.1
133.06458	1.0
135.04369	0.8
135.08049	1.0
137.02341	1.0
137.05949	1.2
139.03877	100.0
140.04149	1.7
143.04878	2.4
146.05986	0.5
147.04381	20.4
149.05962	0.6
151.03851	3.1
151.07535	0.6
153.05415	0.8
153.09067	3.0
159.04446	0.4
159.09145	3.4
161.05959	7.8
163.03915	1.7
163.07539	0.7
165.05447	16.4
165.06860	0.8
166.05745	0.7
169.04985	1.8
169.06340	0.3
170.05969	1.0
171.10124	0.7
177.05428	1.2
179.06963	3.0
181.04988	0.8
183.08939	0.3
184.07564	0.4
185.07079	1.2
188.07072	1.4
189.05515	1.8
199.09695	0.6
207.06480	6.6
227.08063	1.1
227.12755	0.6
245.09288	2.6
249.07556	1.0
273.07660	1.5
273.12817	1.2
291.08542	8.8
291.13321	1.0
291.16901	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0857
Annotation	(2R-cis)-2-(2,5-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
Peak:m/z	Relative Intensity
51.02365	0.5
55.01862	1.9
55.05496	0.9
56.05013	0.4
56.96524	0.4
57.07045	1.1
60.04498	1.3
60.08140	0.8
61.40779	0.4
63.01482	0.3
65.03912	0.9
67.01835	0.5
67.05505	1.8
68.99773	2.2
69.03419	0.5
69.07029	1.0
69.82366	0.5
69.82771	1.7
70.02933	0.4
70.06583	1.7
72.08133	3.6
73.08475	0.5
79.05479	0.5
81.03375	0.7
83.04964	1.8
84.04475	0.9
84.08119	3.3
85.02870	1.2
85.06543	0.5
86.09704	0.8
87.05579	0.9
88.03937	0.4
91.05447	2.8
91.83295	0.3
93.03383	1.4
93.07021	1.1
95.01292	0.4
95.04961	3.6
97.02856	0.9
98.21404	0.6
99.00802	1.9
102.88007	0.3
103.05453	0.4
105.03338	0.4
105.07007	1.1
106.07332	0.6
107.04917	1.1
107.08543	0.6
109.02848	0.6
110.06008	0.9
110.07100	0.4
111.04416	3.4
111.21545	0.4
113.37749	0.4
114.09138	1.1
115.05418	2.4
117.06987	1.3
119.04912	5.7
119.08591	0.4
120.08061	2.7
121.08442	0.6
122.02715	0.6
123.04400	62.9
124.04752	1.0
124.76265	0.3
127.03893	1.2
129.06972	0.7
130.06506	1.5
130.08612	0.6
131.04871	0.9
131.08658	0.3
132.08055	0.8
133.06474	1.2
133.10170	0.5
135.04390	1.1
136.07597	0.7
137.02275	0.8
137.05962	1.3
139.03871	100.0
140.04185	1.3
140.07146	0.4
141.06961	0.6
143.04874	3.8
144.05672	0.4
145.06487	1.2
145.10114	1.1
146.05978	0.7
147.04376	21.5
148.04703	0.6
149.05988	0.7
151.03891	2.3
153.05476	1.2
154.08583	0.4
157.06465	0.8
157.07591	0.7
159.07980	0.6
159.09151	1.8
159.11263	3.7
160.05176	0.7
160.11642	1.2
161.05946	7.8
162.06435	0.6
163.03874	2.0
165.05444	16.1
169.04942	1.6
170.05943	0.7
171.04382	1.1
175.07449	2.0
177.05463	2.2
177.10185	0.4
179.07048	3.4
181.04955	1.2
184.05238	0.5
185.07071	0.5
185.10742	0.6
187.07524	1.2
187.11040	0.7
188.07085	0.4
189.05402	2.4
191.07007	0.6
199.03801	0.4
199.12300	0.6
201.10365	0.5
203.03391	0.8
203.06940	4.0
205.12184	0.6
207.06483	7.0
212.04626	1.0
213.05489	1.0
213.10208	1.0
214.11012	1.5
217.08524	0.4
217.13464	0.4
219.06458	0.7
227.06839	3.6
228.10092	0.5
231.02834	1.1
231.06438	2.3
245.08212	1.7
245.12762	0.8
246.11133	0.4
247.06018	0.4
249.07542	1.6
255.06503	0.4
256.09665	0.4
265.76764	0.4
273.07513	4.0
273.12241	5.1
274.10641	0.6
291.08594	10.5
291.13321	7.0
291.16559	0.5
291.20566	1.0
292.11783	0.7
294.38269	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1743
Annotation	Mesembrine
Peak:m/z	Relative Intensity
55.05494	1.1
56.05026	1.8
56.96569	0.7
57.07068	2.4
58.06573	1.4
60.04519	0.5
65.03918	1.1
67.05491	8.8
69.03408	0.4
69.07051	3.3
70.06594	0.4
70.13158	1.3
71.08607	0.7
74.06070	2.1
79.05471	1.6
81.07032	1.9
82.06564	3.0
83.04966	0.6
83.08611	0.5
86.06034	0.4
88.07611	8.4
91.05474	0.5
93.03386	0.9
93.07040	2.9
95.04964	0.5
95.08582	1.5
97.06506	2.5
99.88483	0.3
104.07048	0.4
105.06966	0.3
107.08575	3.3
109.10082	0.7
110.06017	32.8
111.04420	8.1
117.07014	0.5
118.08651	2.0
119.08582	0.3
122.08111	1.1
123.04337	0.7
133.10080	0.5
135.11652	4.0
137.05951	0.9
138.05472	100.0
139.05815	1.5
139.22029	0.3
145.06416	0.4
147.07964	0.3
151.11118	0.3
153.12682	0.9
163.07527	1.3
178.09380	0.4
197.45566	0.3
226.11102	1.9
228.23209	0.4
230.16173	0.6
242.24715	9.2
244.12193	1.5
269.61996	0.7
273.14783	0.4
290.17529	6.2
290.26825	28.5
290.29272	1.2
291.19656	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58580	0.7
55.01857	3.2
55.05497	7.0
55.20118	0.6
56.05007	1.0
56.96551	2.9
57.07054	2.1
58.06596	1.0
58.99571	1.3
60.04514	16.9
60.08150	7.3
62.38658	0.6
65.03921	1.9
67.05497	3.8
67.69392	0.6
68.05029	0.7
68.99774	2.1
69.03415	1.6
69.07047	2.4
69.36906	3.0
69.37337	2.7
70.02935	1.2
70.06580	6.8
71.01318	0.8
71.04977	0.7
72.08144	44.7
72.17812	0.6
73.01129	1.6
73.02895	1.1
73.08473	1.8
74.97603	0.8
76.02210	1.5
76.03999	0.6
79.05479	1.8
80.05027	0.6
81.03393	2.0
81.07036	3.5
82.06557	0.8
83.04955	1.6
84.04488	6.6
84.08129	20.7
84.15947	0.7
85.02895	3.5
85.06518	1.3
85.08457	1.1
86.00620	1.3
86.09693	6.4
87.05572	9.5
88.02190	1.1
88.03985	4.5
90.15780	0.7
91.05462	8.8
93.03369	1.4
93.07028	6.2
94.06567	1.1
94.55600	0.6
95.04967	4.6
95.08573	1.2
96.08105	1.7
97.02850	1.8
97.06502	0.8
98.09640	0.9
98.97562	4.8
99.00786	2.4
99.02699	0.8
99.04418	1.6
100.07570	1.2
102.05531	1.6
103.03933	1.8
103.05450	2.0
105.07018	11.8
107.04929	1.7
107.08585	1.9
109.02842	1.3
109.06464	1.6
109.10116	0.8
110.06027	1.2
110.07133	3.2
111.02658	0.7
111.04420	2.4
114.09152	13.3
115.05442	1.2
115.09524	0.7
116.98599	2.8
117.06989	1.9
118.06524	0.8
119.04929	5.5
119.08560	1.4
120.08086	43.3
121.02837	0.6
121.06493	2.1
121.08430	2.8
121.10096	1.5
122.02696	3.6
123.04408	63.2
123.07975	0.9
126.05496	1.7
127.03896	3.1
127.07495	1.1
128.04256	1.2
129.07010	1.2
129.10210	1.4
130.04953	0.8
130.06522	4.5
130.08609	8.7
131.04875	1.1
131.06885	3.1
131.08517	4.8
132.01123	1.8
132.08128	1.1
133.04816	0.7
133.06488	1.2
133.10115	14.7
134.99660	1.2
135.04369	0.9
136.07544	2.0
137.05975	1.8
139.03879	100.0
141.10226	0.7
143.04900	3.2
145.05046	0.6
145.06448	1.4
145.10088	1.4
146.06026	1.5
147.03214	1.2
147.04381	21.1
150.99095	1.6
151.03835	3.3
151.07532	1.7
151.11154	2.4
153.05457	1.0
157.06433	1.2
157.07597	1.5
158.02650	1.0
158.06015	1.9
158.07968	2.3
159.04720	0.7
159.06343	3.8
159.08083	1.3
159.09138	2.2
159.11263	61.2
160.11595	3.2
161.01239	0.9
161.05943	7.8
163.03911	2.4
165.05460	15.5
165.07233	4.1
169.04944	1.0
171.04436	0.9
175.07513	1.9
176.08955	2.2
177.00633	0.9
177.05475	3.3
177.10207	9.2
179.07001	3.1
181.04924	1.1
183.08362	1.5
184.05249	0.8
184.07416	1.2
185.07144	0.9
187.10756	7.0
188.10950	0.8
189.05434	2.2
189.09103	0.8
189.15891	4.1
191.07050	1.0
202.08942	1.9
203.03343	1.0
203.06909	4.3
204.08487	1.2
205.04962	0.8
205.12228	1.0
207.06436	5.6
212.04555	1.0
219.06552	1.0
226.08862	1.2
227.06842	4.8
231.06500	2.6
232.06529	0.7
245.08095	2.1
245.12788	1.4
247.05957	0.8
249.07576	1.9
251.65408	0.8
254.12041	7.2
267.00278	4.7
272.09436	1.2
272.13162	1.7
273.07516	3.9
273.12192	4.8
285.01221	2.8
290.10587	1.4
290.13104	1.1
291.08627	11.9
291.13348	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	290.113
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	0.3
56.96554	0.5
58.57285	0.3
69.95422	0.3
70.70843	0.5
70.71160	0.3
81.04527	0.7
82.05320	0.6
83.05630	0.5
83.06091	4.9
86.09658	0.3
93.04515	3.5
95.06078	4.4
98.97581	1.2
107.04939	21.9
108.05254	0.3
110.07148	100.0
111.07483	1.6
112.08742	0.4
116.98606	0.4
138.06606	0.6
156.07663	28.9
168.55508	0.3
193.00331	0.3
238.27550	0.3
244.10773	11.6
247.73044	0.3
253.11476	0.3
267.00156	1.1
269.51526	0.3
272.10312	2.8
285.01328	0.5
290.11301	25.0
291.11588	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.9
55.05503	1.0
56.05024	3.8
56.96286	0.9
56.96553	14.2
57.03418	0.5
57.07068	0.8
58.06585	1.8
58.32318	0.5
58.99566	0.5
60.04217	0.6
60.04512	9.8
63.27754	0.5
67.05496	0.8
68.05013	1.0
69.03417	1.1
69.07056	1.2
69.78996	2.2
69.79403	1.0
70.02941	0.6
70.06576	5.9
70.84287	0.5
71.04951	0.7
72.08150	2.9
73.02908	0.5
74.06063	9.5
74.97587	5.3
76.04018	0.5
77.03905	0.6
79.05469	1.0
81.03379	1.0
81.07041	1.3
82.06555	1.0
83.06100	0.6
84.04493	4.8
84.08125	5.1
85.02876	1.5
85.06577	0.7
86.06068	2.5
86.09688	100.0
86.97593	1.3
87.05574	5.5
87.10033	1.1
88.03989	1.7
91.05437	2.6
92.98602	1.0
93.07030	1.5
94.06578	0.6
95.04965	1.8
95.06046	0.7
95.08591	1.2
96.04459	0.9
96.08078	1.0
97.02863	0.9
98.06047	0.6
98.20786	1.0
98.97563	24.8
99.00801	1.6
100.07619	1.1
102.05547	3.0
105.07009	2.2
107.04915	3.8
107.08594	1.6
109.02926	0.6
110.06027	1.1
110.07143	16.3
111.07466	0.6
112.02172	1.7
112.07561	0.7
113.07096	1.0
114.03719	0.9
115.05441	0.5
116.07098	1.2
116.97263	1.0
116.98594	18.5
119.04945	0.8
119.08486	0.6
120.06553	12.5
120.08027	1.1
122.02731	1.2
123.04408	1.7
124.07570	0.6
127.03844	0.8
127.04948	0.6
128.07057	2.3
128.10674	4.2
129.10220	1.3
130.05008	2.5
130.06499	1.8
130.08621	0.7
131.06870	0.7
131.08150	2.2
132.10199	1.5
132.98076	3.5
133.06458	0.5
133.10115	2.0
134.99623	10.1
136.07544	2.9
139.03870	1.2
140.06969	0.6
143.00134	2.6
143.11768	48.6
144.12125	1.2
145.97440	0.6
146.02719	0.8
147.04419	2.0
149.05910	1.0
150.99112	13.6
151.07487	0.9
151.11143	3.0
153.00645	1.2
156.07663	4.7
156.98099	1.3
157.06447	0.6
157.07645	1.1
158.02664	1.3
158.07953	2.3
158.99626	4.5
159.06378	1.2
159.07655	2.7
161.01176	4.1
161.09204	0.7
169.00175	7.8
169.08519	0.7
171.11267	15.8
173.12823	38.0
174.13144	0.6
174.99092	5.2
175.00180	0.5
175.07542	1.3
176.96915	1.6
177.00681	7.5
183.08556	0.9
187.07233	2.1
187.14388	1.5
189.05310	0.5
190.98663	0.8
193.00151	6.8
201.09447	3.6
201.12294	14.8
201.14183	0.8
202.98639	0.6
203.06973	0.8
203.13803	1.1
204.08495	1.7
206.98112	4.6
211.01268	2.1
214.05438	0.7
215.13881	3.7
220.99736	0.8
224.99188	1.8
227.07057	1.5
239.00685	1.6
244.07985	1.6
244.10764	2.1
245.08087	0.8
248.99142	5.9
255.08014	0.8
266.27676	0.6
267.00180	27.5
268.00549	1.0
272.00751	1.0
272.10391	0.7
272.13287	0.5
272.15988	12.4
273.07809	1.3
273.11984	1.3
285.01236	19.2
286.01645	1.0
290.01761	3.4
290.08176	0.9
290.11078	4.6
290.14410	0.7
290.17175	1.2
291.08920	0.7
291.13400	2.2
308.02911	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.2
56.05023	0.6
56.96571	0.4
58.06587	2.9
59.41750	0.3
66.65911	0.2
68.05003	0.3
70.06582	1.0
71.52474	0.3
71.92567	0.2
72.08132	0.5
74.06051	0.3
81.03441	0.3
81.04519	1.0
82.04863	0.3
82.05309	0.3
82.06566	0.7
83.06091	4.9
84.04488	0.8
84.08129	1.2
85.02908	0.3
86.09704	1.2
87.61799	0.2
88.90395	0.2
93.04510	3.9
95.06075	4.4
98.09677	0.3
98.97549	1.2
107.04933	20.2
108.05293	0.3
110.07143	100.0
111.07492	1.0
112.08720	0.7
114.16142	0.2
116.02512	0.2
116.07070	0.3
116.98612	0.7
119.01890	1.2
120.01961	1.5
121.01646	0.7
127.05019	0.7
128.05377	0.7
128.07051	0.3
130.08614	0.4
133.03421	0.4
134.03590	0.4
134.99626	0.3
137.05960	0.3
138.03035	0.5
138.06592	0.6
142.08612	0.2
143.11758	0.3
146.08089	0.2
156.07657	34.7
157.07979	0.6
161.01402	0.2
161.02919	0.7
161.09155	1.0
162.03024	0.4
163.02649	0.3
173.12848	0.9
189.00610	0.3
201.12317	0.4
207.01633	0.3
215.10225	0.3
216.00462	0.6
217.00031	0.3
217.01921	0.2
231.15897	0.4
244.10768	13.8
245.11086	0.5
248.02968	1.0
248.07869	0.5
261.85950	0.2
266.04495	0.2
267.00177	0.9
272.10236	3.5
285.01218	0.5
286.05432	0.5
290.06650	1.5
290.11276	29.0
291.08319	0.8
291.11508	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2521
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
51.57503	1.0
53.03933	1.8
55.01857	2.3
55.05259	1.6
55.05498	20.7
57.03425	2.7
57.07061	8.6
67.05176	1.6
67.05493	23.6
69.03407	5.1
69.07053	44.7
69.41753	5.6
69.42181	4.0
70.06582	1.4
71.04964	4.9
71.08600	2.8
72.08136	1.0
75.19571	1.2
77.59247	1.2
79.05473	18.8
81.03387	4.2
81.07039	81.9
82.07372	1.4
83.04940	4.0
83.08603	14.4
84.04497	7.0
84.08146	1.6
85.02861	5.2
85.06518	6.3
86.09682	2.6
91.05463	14.3
93.07024	40.6
95.04950	22.8
95.08588	56.6
97.02843	2.4
97.06527	7.5
97.10145	8.4
98.97570	1.1
99.04409	1.7
99.08059	2.5
101.72444	1.2
103.03873	1.2
103.05437	1.3
105.07004	30.7
106.06542	1.1
107.04939	1.8
107.08572	41.6
109.02876	3.1
109.06488	7.6
109.10135	39.7
109.10828	1.1
111.08064	8.2
111.11683	6.3
113.09597	1.6
114.35101	1.1
116.98550	1.6
117.06985	2.7
119.07800	1.9
119.08565	24.5
120.08056	2.9
121.06490	2.5
121.07417	0.9
121.10117	42.6
123.08041	2.7
123.11680	48.6
123.12576	2.5
124.11990	2.3
125.09554	3.4
127.03895	6.1
131.08545	7.9
132.10167	1.4
133.10094	18.6
135.08029	2.4
135.10678	2.2
135.11664	29.7
136.07550	1.9
137.05978	2.2
137.09555	4.8
137.13211	10.2
139.11140	4.9
143.08534	1.7
145.10098	9.9
147.08015	2.0
147.11674	18.7
149.09607	1.8
149.12166	1.9
149.13249	20.2
151.11163	7.0
151.14828	2.6
153.12674	2.5
157.10062	2.2
159.11681	11.1
161.09575	2.1
161.13237	15.8
163.11115	2.7
163.14780	11.8
165.12700	7.8
167.14273	1.6
171.11716	1.7
173.13263	8.3
175.14778	13.3
177.12729	2.6
177.16345	6.7
179.14326	3.2
183.11594	1.3
187.14760	8.4
189.16350	9.8
191.14229	1.4
191.17857	3.3
193.15884	2.7
201.16376	6.7
203.17934	6.0
205.15758	1.6
207.17448	4.7
215.17961	6.0
217.19447	3.3
219.17368	1.9
229.19479	3.2
231.21095	1.9
233.18983	3.1
243.11249	1.9
243.21107	1.5
244.13408	2.2
245.16310	2.8
245.22604	14.5
247.20544	1.6
271.16992	2.1
271.24152	22.5
272.12787	4.9
280.14160	1.4
289.05988	11.7
289.11545	1.9
289.15173	3.8
289.18158	4.5
289.21692	3.6
289.25177	100.0
290.08658	3.6
290.25537	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2521
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
53.03926	1.5
55.01851	2.1
55.05500	21.0
57.03423	1.4
57.07060	8.0
67.05496	20.9
69.03407	3.0
69.07055	46.4
70.62219	0.7
71.04960	3.4
71.08603	2.2
71.55472	1.3
79.05056	1.2
79.05481	14.1
81.03391	1.4
81.07043	79.8
83.04948	3.2
83.08138	1.2
83.08601	17.4
84.04491	7.1
84.08129	0.8
85.02884	2.2
85.06527	6.5
85.10146	0.7
91.05460	11.2
93.07027	37.5
95.04962	8.4
95.08590	55.7
97.06512	6.2
97.10158	6.1
99.04468	0.9
99.08044	3.2
105.04514	0.8
105.07010	26.5
107.08573	39.9
109.02858	1.2
109.06496	5.5
109.10134	35.7
110.07097	0.9
111.08061	7.6
111.11690	6.8
117.06997	3.0
119.08555	22.8
121.06491	1.2
121.10120	40.2
122.02678	0.8
123.08046	3.6
123.11686	50.0
124.12082	1.0
125.09606	3.1
126.05434	1.1
127.03880	2.3
131.08571	4.5
133.10117	19.1
135.08022	1.5
135.11664	28.6
137.05992	0.9
137.09605	5.9
137.13235	10.4
139.11174	4.2
143.08513	1.1
145.10110	8.7
147.11658	20.9
148.12094	1.1
149.13228	18.3
151.11147	6.8
151.14778	1.9
152.91338	0.8
153.12735	2.7
159.07951	1.1
159.10439	1.0
159.11673	12.6
161.13222	17.9
163.14780	14.6
165.12720	8.3
167.14270	2.1
173.13229	8.3
175.14798	13.1
177.09315	0.8
177.12689	2.1
177.16338	9.8
179.14296	4.8
182.34727	0.8
187.14758	8.5
189.03868	1.2
189.16333	10.6
191.14194	1.5
191.17911	4.2
193.15860	3.9
201.16354	6.7
203.17920	7.3
205.15819	1.8
207.17412	3.3
215.17976	8.2
217.19502	2.9
219.17447	3.0
229.19470	2.6
231.20973	1.2
233.18944	3.2
242.51196	0.8
243.17421	1.2
243.20955	1.5
245.22617	17.3
271.16812	1.2
271.24182	19.8
272.24689	0.9
275.10608	0.8
289.05875	1.5
289.15250	3.3
289.25204	100.0
290.08810	1.5
290.25607	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	289.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29974	0.8
59.31917	0.9
67.05477	0.9
68.99782	2.2
69.03417	1.6
69.07044	1.4
70.02947	0.9
70.06562	2.5
71.19788	1.4
72.08142	1.7
81.03379	1.2
82.06156	0.8
84.08123	1.2
85.02885	2.1
86.09682	2.5
97.02863	1.4
97.06514	0.8
99.04417	1.8
109.02841	1.4
109.06466	1.1
110.07136	2.6
118.06602	0.9
120.08094	1.0
123.04420	3.7
127.03876	3.8
130.06505	46.3
132.04436	22.8
139.03860	1.6
144.08034	4.1
145.04834	1.7
146.06000	6.5
151.07538	1.9
156.04413	1.6
156.06793	1.6
157.07584	100.0
158.04768	1.9
158.05994	23.4
158.07942	1.0
159.09099	1.4
171.09145	6.4
173.07094	7.9
175.08633	10.8
185.07057	10.4
197.07214	1.0
199.06818	1.3
199.08633	26.1
200.07028	1.1
201.06589	4.7
203.08124	40.0
211.08540	1.0
213.10175	1.4
221.09276	1.8
225.06554	44.1
229.06183	1.3
229.09697	8.2
243.07678	5.4
253.05902	1.2
271.07083	84.3
271.10669	21.7
289.08133	81.6
289.11734	36.3
289.14874	1.7
290.08417	1.3
310.22803	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1538
Annotation	N-(3-Indolylacetyl)-L-leucine
Peak:m/z	Relative Intensity
55.01837	0.7
55.05507	3.1
57.03410	1.5
57.07067	1.0
64.47014	0.4
67.05478	2.8
69.03411	1.1
69.07046	4.7
70.06536	0.5
70.64664	0.6
70.83894	1.6
71.04989	0.8
73.06561	0.5
74.28961	0.4
75.60827	0.6
76.24552	0.5
79.05466	4.1
81.03426	0.6
81.05767	0.8
81.07034	7.6
83.04961	1.7
83.06068	0.6
83.08581	1.2
84.04474	2.4
85.02872	1.2
85.06515	1.0
90.49920	0.5
91.05461	6.0
93.07031	5.4
94.06563	1.0
95.04951	3.5
95.08574	5.9
96.08105	1.7
97.02865	0.7
97.06526	1.1
99.04396	0.8
103.05454	1.1
105.06996	4.1
106.06525	1.8
107.04916	1.0
107.08566	3.8
108.04426	0.6
108.08056	1.2
109.02877	1.0
109.06485	1.8
109.10136	3.0
110.07117	0.6
111.04393	0.9
111.08065	1.0
111.11687	0.7
117.06989	1.0
118.06529	5.1
119.07278	0.5
119.08551	4.0
120.08075	13.8
121.06506	1.3
121.10131	3.3
122.09638	1.1
123.11670	2.0
124.07552	10.2
126.09115	1.2
127.03861	1.4
129.06920	0.9
131.08539	1.5
131.43465	0.5
133.10101	2.1
134.05981	6.6
135.08006	0.9
135.11678	1.5
136.07541	6.1
137.05965	0.7
137.09624	0.6
137.13248	0.8
138.05508	2.3
141.06892	0.6
143.06989	0.6
143.08507	1.1
145.10097	2.4
146.05972	5.0
147.06728	2.3
147.07979	1.0
147.11633	2.2
148.07545	9.2
149.09554	0.5
149.13200	1.6
150.09155	1.0
151.07591	0.8
151.11134	0.6
152.06999	1.8
155.08554	0.8
157.10120	0.8
159.08038	2.7
159.11665	1.7
161.09598	0.7
161.13193	0.9
164.07027	100.0
165.07510	2.1
166.08603	4.0
169.10075	0.6
173.13181	1.0
175.14859	0.6
179.90941	0.5
183.11621	0.8
185.13258	0.6
187.14761	0.8
200.10616	1.1
201.16359	0.6
215.15529	1.4
216.10135	2.4
228.10194	0.7
229.13252	1.2
239.12212	0.6
243.14928	5.6
245.16374	3.0
246.16357	0.6
253.13400	1.2
254.11772	1.7
271.14337	21.8
271.16806	1.4
271.24155	0.9
272.14575	0.6
289.15384	89.4
289.17957	3.9
289.25027	8.1
290.15680	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	288.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39285	0.4
53.03934	0.5
55.01860	0.6
55.05495	1.4
56.05017	1.3
60.04502	0.5
65.03926	0.5
67.05473	0.8
68.05017	0.5
69.03426	0.7
69.07041	1.0
70.02919	0.4
70.06580	3.3
71.03357	0.9
71.05004	0.6
72.08141	13.2
74.06065	0.3
75.04465	1.0
79.05470	1.3
81.03397	0.6
81.04559	0.3
81.07034	1.1
82.06528	0.4
82.46531	0.4
83.04985	0.4
83.06083	5.1
84.04486	0.7
84.08127	2.2
85.02895	0.5
86.09692	16.4
88.03966	2.1
91.05463	24.1
92.05798	0.8
93.04520	3.4
93.07029	9.7
94.06558	1.4
95.04955	1.2
95.06073	1.8
95.06915	0.4
95.08582	0.6
97.02855	0.5
97.06470	0.4
99.04438	0.5
102.05556	0.4
103.05428	0.5
104.07083	0.8
105.07019	0.9
107.04892	0.4
107.08594	1.8
109.02885	0.5
109.06438	0.4
109.10133	0.4
110.07145	100.0
111.04447	0.4
111.05545	2.2
111.07459	0.5
111.08102	0.7
112.07584	0.5
113.07137	0.3
114.05492	0.8
116.07044	0.4
118.06536	2.0
118.08614	0.8
119.06888	1.1
119.08539	1.9
120.08148	1.6
120.08868	0.3
121.03991	2.4
121.06453	0.6
121.08451	0.4
121.10121	5.2
122.02743	0.7
122.06059	1.7
123.04427	0.4
123.06351	1.1
127.03903	0.8
127.05768	0.4
128.47963	0.3
129.06993	0.3
129.10205	5.6
130.06502	5.4
130.08621	0.5
132.04427	2.3
132.10156	1.0
135.08029	1.4
140.07039	2.6
141.07397	1.9
143.11774	6.8
144.08052	1.1
145.04964	0.4
146.05971	1.4
147.08029	1.1
148.07538	2.0
149.07889	2.6
149.09567	2.7
153.06473	1.6
153.09068	0.5
154.07346	0.4
156.07941	0.4
157.06343	0.7
157.07593	9.5
157.09622	2.9
157.13333	4.2
158.05988	2.9
159.09111	0.4
164.06985	0.8
165.09097	0.8
167.06998	0.5
167.10692	1.4
170.09216	24.5
171.09085	0.6
171.11279	1.9
173.07071	0.7
175.08618	1.0
175.11900	0.7
185.07063	1.0
185.12845	1.6
189.12318	1.1
199.08597	3.9
201.06541	0.5
203.08133	4.0
210.10181	0.4
225.06543	4.5
228.11270	15.5
229.09662	0.7
229.11710	0.5
229.15401	0.7
242.13832	0.4
243.07611	0.4
243.11966	0.8
244.15155	1.0
256.10730	4.5
270.12421	1.4
270.16849	0.3
271.07059	7.9
271.10849	3.2
280.10617	0.4
288.13382	40.2
289.08081	6.9
289.11713	4.1
302.32593	0.3
306.15198	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.0531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.4
55.05501	0.6
57.03422	0.4
58.99572	3.5
60.04505	0.5
60.05648	0.6
61.01141	0.3
68.05035	0.5
68.99773	0.4
69.03421	0.8
70.00417	0.8
70.00826	0.9
70.02927	0.4
70.06583	7.0
71.98936	0.3
72.08133	2.3
74.06073	0.7
74.69749	0.3
79.05523	0.4
81.07032	0.4
82.06551	0.6
83.01334	1.3
84.04493	14.4
84.08129	3.0
85.02888	4.9
85.06585	0.4
86.00652	1.0
86.06101	0.3
86.09686	3.7
86.99019	1.8
88.03987	0.7
91.05475	1.4
93.07037	1.0
95.04976	0.5
95.08590	0.6
97.02871	0.4
99.04449	0.5
100.02185	9.5
101.00533	0.4
105.00087	1.1
107.04979	0.5
107.08598	0.4
109.02845	0.6
109.06458	0.4
110.00585	1.7
110.07172	0.8
112.02187	0.8
112.07573	0.4
112.08721	0.7
114.05511	0.5
116.07085	1.0
117.06982	0.6
119.01646	0.6
119.08553	1.0
120.08030	0.4
121.06499	0.5
121.10088	0.6
122.00701	0.5
123.04461	0.5
124.02185	0.5
124.07569	2.6
126.00085	6.0
126.09109	0.6
126.98504	0.6
127.00897	0.9
127.03909	0.4
127.05041	0.4
128.01637	3.6
128.07051	0.4
129.00092	0.4
129.10237	0.8
130.06535	1.3
130.08655	0.5
134.13971	0.3
136.07558	1.7
137.05869	0.3
138.09131	0.9
142.03195	19.7
143.03546	0.3
143.77768	0.4
144.01158	1.1
147.08023	0.6
149.09599	0.5
150.96863	0.4
152.01607	0.7
152.03502	0.8
153.99576	0.9
154.08606	1.7
155.97437	0.5
156.01117	0.4
156.08055	0.6
157.07584	1.7
158.06006	0.9
164.03391	1.6
164.10663	0.3
165.09097	0.5
168.01076	2.5
168.06606	0.4
168.99530	1.1
172.00620	7.5
174.02200	1.6
175.11896	1.0
177.98177	0.4
177.99413	1.6
180.01140	0.9
182.02673	2.4
182.04115	0.4
182.08102	2.9
188.03737	32.4
189.04070	0.4
190.01666	2.4
196.00613	15.3
197.01283	1.1
198.02176	1.1
198.06421	0.3
203.08124	0.7
206.04797	0.4
210.02162	2.5
210.04010	1.4
214.01686	4.7
222.04111	0.4
224.00026	1.8
228.03226	4.3
229.15460	0.7
242.01141	10.8
243.01991	2.2
256.02707	11.3
270.09708	2.7
270.13202	0.6
274.03751	100.0
275.04108	1.9
288.05460	19.2
288.10620	1.2
288.13989	1.2
288.20285	2.8
288.23431	0.9
289.08325	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2364
Annotation	13-cis-Retinol
Peak:m/z	Relative Intensity
55.01854	2.0
55.05500	7.2
55.24981	1.4
57.07053	4.7
59.04980	1.4
62.06060	1.5
63.00015	1.6
65.03925	1.4
67.05491	11.2
69.03439	7.5
69.03738	1.8
69.07060	11.5
70.06569	1.5
71.04974	1.3
71.55108	1.9
72.08131	1.2
79.05061	1.7
79.05479	22.2
81.07041	100.0
83.04971	12.9
83.08604	7.1
85.06523	2.2
91.05470	7.2
93.07022	12.5
94.67342	1.4
95.04963	2.5
95.08591	58.5
97.06503	4.0
97.10151	3.1
98.98441	1.7
99.08070	2.1
105.07010	14.3
106.07404	1.5
107.04934	1.8
107.08578	26.8
109.06504	19.9
109.10125	21.6
111.08037	6.1
117.06988	3.3
119.08552	14.0
121.02872	2.1
121.06477	3.0
121.10118	26.2
123.08059	15.1
123.11668	9.4
131.08539	4.0
133.10127	13.2
135.08031	32.5
135.11674	12.4
137.09576	5.8
143.08548	2.5
145.10115	8.8
147.11664	15.7
149.09608	6.9
149.13203	4.5
153.01807	3.9
157.10077	4.6
159.11667	6.3
161.09604	3.3
161.13231	9.0
163.11153	5.4
163.14769	12.5
171.11685	2.9
172.12376	1.4
173.13219	5.3
175.11140	4.8
175.14784	3.7
177.12714	6.3
177.16342	14.9
179.14334	1.6
185.13156	1.6
187.14786	14.2
189.12686	1.2
189.16344	4.1
199.14758	3.3
201.16310	2.4
203.14253	3.0
205.14020	2.8
205.15852	44.0
206.16237	1.9
213.16225	1.9
217.15842	3.8
231.25053	4.8
269.22577	6.0
287.05426	30.5
287.10388	1.7
287.16779	1.4
287.19986	5.8
287.23633	28.9
287.27063	2.1
287.27966	1.8
287.31308	21.6
288.05618	3.2
288.24152	1.4
288.28992	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	287.196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.3
55.01855	0.6
55.05505	1.9
56.05046	0.3
57.03420	1.1
57.07065	0.8
57.69143	0.3
58.46353	0.3
59.73580	0.3
60.04490	0.4
65.03918	0.5
67.05490	2.6
68.99773	1.7
69.03404	1.2
69.07053	3.3
70.05752	0.3
70.06604	0.7
71.04960	0.4
71.52914	0.3
73.63161	0.2
79.05462	2.7
81.03410	0.9
81.07036	4.6
83.04980	0.7
83.08603	1.8
84.08141	0.8
85.06534	0.7
86.09689	95.8
87.10038	1.0
91.05459	2.2
93.07016	3.3
95.04955	2.0
95.08585	3.1
97.02863	0.4
97.06515	1.1
97.10146	0.4
98.98477	0.3
99.08112	0.4
103.05437	0.8
103.48576	0.3
105.03371	0.6
105.07011	3.1
107.04939	1.3
107.08570	2.8
109.02829	1.7
109.06521	0.5
109.10132	2.1
111.00787	1.6
111.04462	0.7
111.08038	0.6
111.11699	0.6
115.05429	0.4
117.07001	0.8
119.08558	3.0
120.04462	0.5
121.02834	6.0
121.03774	0.5
121.03944	0.4
121.06493	0.8
121.10105	2.1
122.05939	0.4
123.08063	0.5
123.11703	0.9
124.07590	1.0
125.05992	0.3
125.08339	1.0
125.09579	0.5
126.09111	1.5
127.03888	0.5
127.11174	0.5
128.10689	40.6
129.06975	1.0
129.10190	0.4
131.04906	0.4
131.08514	1.4
132.10175	25.4
133.02811	0.9
133.10071	1.6
134.05995	0.3
135.04372	0.6
135.08029	1.0
135.11684	1.1
136.07480	0.5
137.02303	1.5
137.05951	1.3
141.06935	0.4
143.08540	0.7
144.07961	0.3
145.06491	0.7
145.10065	1.8
147.04387	1.3
147.08069	0.5
147.11671	1.5
149.05942	0.4
149.13214	1.6
151.07678	0.3
153.01796	9.6
153.02989	0.6
156.10172	15.3
157.06454	1.1
157.10149	1.2
159.11624	2.1
161.05885	0.3
161.09590	0.6
161.13254	1.0
162.05475	7.5
163.07565	0.8
164.06984	0.8
165.01830	3.3
167.08588	0.4
167.14235	0.4
171.04445	0.6
171.11665	0.9
173.09677	0.3
173.13245	1.0
175.14835	0.5
178.07506	0.3
183.02882	1.2
183.10349	0.6
185.05913	0.9
187.14835	0.5
189.16327	0.5
195.08047	0.8
197.05888	0.6
197.58969	0.4
198.12717	0.4
199.14867	0.6
200.07034	0.3
201.05431	0.4
201.16389	0.5
213.05405	2.5
213.16324	0.9
214.12132	0.6
226.12314	1.0
227.10480	0.7
231.06584	1.5
231.15858	0.9
241.04900	1.7
241.08632	0.3
241.13350	0.6
245.04416	0.5
245.12755	0.4
255.10275	0.5
258.05240	2.2
259.05951	1.1
263.13785	0.3
269.04691	0.3
269.12878	2.6
269.19135	0.4
269.22559	1.5
270.10870	0.5
287.05438	100.0
287.13754	5.0
287.18494	1.0
287.23511	5.5
288.05756	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	287.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03897	1.9
54.33267	1.5
55.01852	3.1
55.05500	29.7
57.03186	2.1
57.03428	23.3
57.07053	7.1
64.99717	1.7
67.05492	22.9
68.99789	1.7
69.03407	2.6
69.07057	49.3
70.06562	3.1
71.04965	7.5
71.08605	3.8
71.52287	3.0
72.04584	1.8
73.06529	2.7
79.05474	13.6
81.07041	45.7
83.04964	6.0
83.08603	47.2
84.08145	2.2
85.06503	4.5
85.10140	2.2
86.09695	1.9
91.05462	12.9
93.06472	3.1
93.07023	38.1
95.04933	6.9
95.08590	24.2
97.06519	17.1
97.10144	10.3
99.08039	3.0
101.06011	2.1
101.09663	1.8
105.07023	10.7
107.04986	3.5
107.08566	30.6
109.06491	2.7
109.10137	15.1
111.08064	13.4
113.06005	1.8
115.07571	2.7
117.07001	4.9
119.08576	12.4
121.02851	6.7
121.06467	2.1
121.10133	20.1
123.11669	6.9
125.09609	4.3
125.13180	2.5
129.06956	2.1
129.09033	1.9
130.86841	1.9
131.08524	6.9
133.10123	9.2
135.08002	4.2
135.11639	9.5
137.05949	3.1
143.08531	4.5
145.10095	8.1
147.04414	2.6
147.11638	5.4
149.13229	62.4
153.01764	8.3
157.10077	4.6
159.11647	16.4
165.01830	4.4
167.14293	25.4
169.30994	1.6
171.11703	3.3
173.13153	3.8
175.14653	2.3
177.12715	6.1
183.11714	2.6
185.13193	4.0
185.15334	1.9
187.14763	3.8
195.08073	1.6
195.13783	5.7
201.16388	2.5
213.05443	5.1
213.14713	3.0
213.16481	3.2
231.15837	85.0
232.16216	3.3
258.05200	3.1
269.17538	5.1
269.22607	6.9
276.79492	1.7
287.05450	100.0
287.13327	7.0
287.18445	99.2
287.23279	25.8
287.75552	1.8
288.05661	7.8
288.18716	2.1
297.08188	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	287.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41225	0.7
50.80127	0.6
50.85684	0.6
53.03932	0.8
55.01851	2.5
55.05489	2.2
56.05023	0.7
56.82412	0.6
57.03427	3.7
57.07066	0.6
58.99574	0.6
63.00016	0.6
65.03925	0.9
67.05479	2.5
69.03419	4.6
69.07056	4.7
70.06581	7.0
71.04983	0.8
71.06902	0.9
71.11359	0.8
71.11700	1.3
72.08128	2.8
75.04487	0.8
78.04689	0.9
79.05480	8.5
81.03391	2.4
81.07043	3.2
83.04955	2.1
83.08599	2.7
84.04486	1.9
84.08132	4.3
85.02895	3.0
85.06528	10.1
86.09694	5.6
88.03969	0.9
91.05464	5.3
93.07027	5.4
94.06564	1.3
95.04951	4.5
95.08582	1.5
97.02863	1.7
97.06491	1.4
97.10125	0.8
99.04436	1.9
99.08051	1.0
101.02377	0.7
103.05444	8.3
105.07043	6.0
107.04935	50.4
107.08591	3.6
109.02834	1.7
109.06499	1.5
109.10094	0.8
110.07130	2.1
111.04386	0.7
111.08063	1.2
112.08618	0.7
114.09164	4.0
115.05441	3.2
116.07041	0.6
116.98578	1.0
117.06995	2.5
118.06486	1.6
119.04967	1.0
119.06005	0.8
119.08562	2.7
119.97237	0.6
120.05714	2.4
120.08104	1.5
121.02849	1.6
121.06491	2.7
121.10123	1.8
122.02738	0.7
122.06017	2.2
123.04424	4.2
123.08027	1.0
124.05186	2.0
125.05972	2.9
125.09608	2.0
127.03888	2.1
128.79361	0.6
129.06967	0.9
129.10208	0.8
130.12242	1.4
131.04913	2.9
131.08566	1.1
133.06471	2.2
133.10158	0.8
135.04379	1.2
135.08032	16.7
137.05974	3.2
139.07495	1.0
140.07042	4.3
143.10680	3.7
143.11658	0.7
145.07632	1.3
146.06004	3.7
147.04369	1.9
147.07965	1.2
148.07541	4.3
149.05963	2.6
150.06674	0.9
151.03793	0.8
152.04622	1.6
153.01790	0.7
153.05438	1.3
154.06236	2.5
159.11601	0.8
161.05959	1.3
161.09590	0.7
163.07521	37.6
164.08017	0.8
164.43968	0.7
165.05473	0.9
165.09097	1.2
167.07014	100.0
168.07484	2.1
170.05989	0.8
177.05438	1.6
177.06845	1.0
180.07773	3.7
181.08725	1.0
193.08626	3.3
195.10149	26.6
196.10492	0.8
197.07207	0.8
207.73640	0.7
211.09662	5.9
213.05409	0.9
213.11182	41.5
214.14497	0.9
215.07280	1.1
227.08296	0.9
227.10614	0.8
229.10594	2.1
241.09756	1.1
242.11723	2.6
259.06033	0.8
269.09171	2.5
269.12857	2.1
270.11176	1.3
287.05399	12.6
287.10260	10.7
287.13889	5.9
287.16962	1.5
287.20114	1.3
288.06119	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.2
56.94643	0.1
65.03918	0.2
67.01839	0.3
67.05489	0.1
67.57779	0.1
68.99770	1.5
69.03408	0.2
70.66972	0.2
71.01338	0.1
79.05486	0.4
81.03403	0.3
81.07059	0.1
81.36887	0.1
91.05447	0.2
93.06998	0.1
94.04126	0.1
95.01306	0.1
95.04947	0.3
95.08572	0.1
97.02863	0.1
103.05454	0.2
105.03358	0.7
105.07001	0.1
107.04926	1.0
107.08581	0.1
109.02856	0.6
111.00772	1.4
111.04414	0.3
115.05432	0.2
117.06972	0.1
119.04889	0.2
119.08505	0.2
121.02834	6.0
122.06024	0.1
123.04475	0.1
124.07549	0.1
125.26109	0.1
127.03873	0.2
128.06233	0.1
129.01953	0.1
129.07007	0.3
131.04848	0.1
133.02808	0.9
135.04390	0.3
136.07542	1.3
137.02312	2.0
141.06944	0.2
145.06461	0.5
147.04369	1.1
149.02307	0.1
151.03880	0.1
152.07011	0.1
153.01791	9.2
154.02197	0.1
157.06442	1.2
161.02303	0.1
161.05943	0.4
164.07027	1.0
165.01802	3.3
169.06471	0.1
171.02968	0.1
171.04376	0.5
173.05928	0.1
175.03946	0.1
175.07460	0.1
183.02838	1.6
184.05165	0.1
185.05908	1.0
189.05457	0.2
194.02110	0.1
195.04483	0.1
197.05917	0.2
199.03902	0.1
201.05484	0.1
203.03358	0.2
203.07021	0.3
212.04634	0.1
213.05399	2.7
214.05840	0.1
217.04935	0.1
220.99307	0.1
229.04886	0.3
231.06442	1.1
241.04875	1.5
242.05594	0.1
243.06396	0.2
245.04312	0.1
257.04523	0.1
258.05188	2.2
259.05930	0.7
269.04416	0.3
270.05243	0.1
286.04391	0.1
287.05420	100.0
288.05746	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	287.0543
Annotation	Cyanidin
Peak:m/z	Relative Intensity
51.87069	0.1
52.30897	0.1
55.01854	0.1
56.24625	0.1
65.03933	0.2
67.01846	0.2
68.99425	0.2
68.99775	1.7
69.03391	0.2
70.79387	0.1
70.79720	0.2
79.05457	0.4
81.03394	0.2
91.05415	0.1
95.04946	0.3
103.05467	0.1
105.03367	0.8
107.04933	1.0
109.02839	0.5
111.00780	1.3
111.04426	0.4
115.05400	0.1
119.04897	0.2
121.02837	5.8
127.03882	0.2
129.06987	0.3
133.02812	0.7
135.04359	0.3
137.02306	1.9
141.06993	0.2
145.06462	0.5
147.04385	1.2
153.01791	9.1
154.02098	0.1
157.06442	1.1
161.05946	0.3
165.01802	3.2
169.06503	0.1
171.03064	0.1
171.04324	0.7
173.05688	0.1
175.03914	0.1
183.02838	1.3
185.05919	1.0
185.25607	0.1
188.72083	0.1
189.05362	0.3
191.03384	0.1
197.05911	0.3
201.05434	0.2
203.03349	0.2
203.07060	0.2
213.05412	3.1
216.04150	0.2
225.54062	0.1
229.04900	0.4
231.06442	1.1
241.04893	1.2
242.05481	0.1
243.06419	0.1
258.05176	2.2
259.05911	0.8
269.04385	0.3
280.50751	0.1
287.05426	100.0
288.05783	2.9
288.08588	0.1
306.88101	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.1
55.01844	0.1
65.03926	0.2
65.62586	0.1
67.01852	0.2
68.99436	0.1
68.99779	1.6
69.03402	0.2
69.07057	0.1
72.34029	0.1
77.07436	0.1
79.05479	0.5
81.03413	0.2
81.07050	0.1
92.81902	0.1
93.07025	0.1
95.01257	0.1
95.04945	0.2
105.03379	0.7
105.06991	0.1
107.04934	1.1
107.08603	0.1
109.02857	0.7
111.00790	1.1
111.04415	0.3
115.05444	0.2
117.06995	0.2
119.08580	0.2
121.02850	5.9
121.06459	0.1
122.03201	0.2
127.03936	0.2
129.06987	0.2
131.04887	0.1
132.12685	0.1
133.02823	0.8
133.10072	0.1
135.04379	0.3
137.02316	1.9
141.06985	0.2
145.06471	0.6
147.04413	1.2
147.11691	0.1
151.03822	0.1
153.01808	9.7
157.06465	1.1
161.05937	0.3
163.07626	0.1
165.01814	3.2
169.06448	0.1
171.02962	0.2
171.04364	0.7
175.03874	0.2
175.07571	0.1
183.02861	1.4
185.05946	1.0
189.05446	0.2
197.05965	0.2
199.03789	0.1
201.05435	0.1
201.57906	0.1
203.03377	0.2
203.06995	0.4
212.04878	0.1
213.05423	2.8
216.04074	0.1
217.04907	0.1
223.03839	0.1
229.04958	0.4
231.06468	1.3
241.04909	1.4
242.05562	0.1
243.06474	0.2
245.04250	0.1
258.05206	2.1
259.05975	1.0
269.04410	0.4
270.04880	0.1
287.05450	100.0
288.05777	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	287.0542
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13099	0.1
53.03925	0.1
55.01848	0.1
65.03909	0.2
67.01849	0.2
68.99436	0.1
68.99776	1.6
69.03394	0.1
70.83733	0.2
70.84092	0.1
71.01334	0.1
71.04961	0.1
77.68838	0.1
79.05484	0.4
81.03389	0.2
95.04938	0.4
97.02869	0.1
102.47182	0.1
103.05420	0.1
103.89343	0.1
105.03357	0.7
105.17198	0.1
107.04937	0.9
109.02866	0.6
111.00780	1.3
111.04410	0.4
115.05452	0.1
120.36430	0.1
121.02840	5.6
122.03149	0.1
127.03905	0.2
128.06171	0.1
129.06979	0.3
131.04933	0.1
133.02814	0.8
133.28926	0.1
135.04364	0.3
137.02315	2.0
141.06963	0.2
143.04800	0.1
145.06459	0.5
147.04358	1.2
153.01796	8.9
154.02087	0.1
157.06454	1.1
161.05902	0.2
165.01802	3.0
169.06464	0.1
171.02954	0.1
171.04321	0.5
175.03914	0.2
183.02866	1.7
185.05923	1.0
189.05423	0.4
191.03304	0.1
197.05957	0.4
199.03889	0.1
201.05368	0.1
203.06969	0.2
213.05406	2.6
214.15533	0.1
216.04095	0.2
217.04865	0.1
229.04893	0.4
231.06477	0.9
241.04915	1.6
243.06422	0.2
257.04416	0.1
258.05203	2.0
259.05948	0.7
269.04449	0.4
286.04642	0.1
287.05435	100.0
288.05783	2.7
288.08243	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.2
55.01860	0.2
65.03931	0.2
67.08971	0.2
68.99780	1.5
69.03419	0.3
69.41351	1.7
71.01305	0.2
79.05460	0.8
86.09701	0.4
95.08661	0.2
98.21562	0.4
103.05431	0.3
105.03358	0.7
105.07059	0.2
107.04913	1.0
109.02844	0.6
111.00798	1.2
121.02841	5.5
121.06467	0.2
127.03815	0.2
133.02815	0.8
135.04344	0.3
137.02292	1.7
140.07004	0.2
145.06433	0.4
146.03967	0.2
147.04390	1.1
151.03870	0.2
153.01794	8.5
157.06429	1.0
161.05989	0.3
165.01819	3.2
171.04373	0.6
183.02841	1.7
185.05933	1.0
189.05435	0.3
197.05971	0.3
213.05409	2.6
216.04398	0.2
229.04881	0.4
231.06445	1.3
241.04875	1.2
243.06427	0.3
258.05215	2.4
259.05905	0.6
269.04349	0.4
287.05435	100.0
288.05783	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	287.0542
Annotation	Fisetin
Peak:m/z	Relative Intensity
53.03933	0.1
55.01846	0.2
55.05497	0.1
65.03918	0.2
67.01849	0.3
67.05489	0.2
68.99443	0.1
68.99780	1.7
69.03388	0.3
69.07053	0.2
70.06556	0.1
72.08134	0.1
73.78224	0.1
79.05480	0.5
81.03391	0.4
81.07016	0.4
91.05441	0.3
93.07040	0.2
95.04945	0.4
95.08583	0.2
97.02855	0.1
98.20810	0.3
103.05443	0.2
105.03368	0.8
105.07016	0.3
107.04939	0.9
107.08606	0.2
109.02877	0.6
109.10110	0.2
111.00785	1.3
111.04436	0.3
115.05455	0.2
117.07040	0.2
119.04890	0.1
119.08549	0.3
121.02843	6.1
121.06489	0.2
121.10083	0.1
125.05991	0.1
127.03879	0.1
128.06198	0.2
129.06950	0.4
131.04918	0.2
131.08586	0.2
133.02856	0.7
133.10138	0.2
135.04372	0.3
135.11656	0.2
136.07542	0.2
137.02312	1.7
137.05928	0.7
139.05510	0.1
141.06926	0.3
142.76689	0.1
145.06480	0.5
145.10139	0.2
147.04375	1.1
147.11674	0.2
153.01801	9.0
154.02133	0.2
157.06482	1.1
159.11661	0.3
161.05959	0.3
163.03874	0.1
164.07010	0.1
165.01814	2.9
169.06551	0.1
171.04425	0.5
175.07520	0.2
183.02846	1.7
185.05931	1.0
189.05443	0.3
197.05852	0.2
199.03862	0.3
201.05392	0.1
203.03304	0.2
203.07027	0.3
213.05431	3.2
216.04266	0.2
217.04836	0.1
227.10672	0.1
229.04970	0.4
231.06509	1.1
241.04907	1.7
243.06374	0.2
255.10159	0.1
258.05197	2.0
259.06006	0.9
269.04401	0.4
269.09079	0.3
287.05441	100.0
287.23605	0.4
288.05768	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	286.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57706	0.7
53.82342	0.6
55.05496	1.8
56.96550	0.6
57.03416	1.5
59.04982	2.2
61.02911	7.0
69.50661	0.6
70.06578	45.4
71.04966	4.7
71.06908	0.6
71.08424	0.9
71.08759	0.7
71.29687	0.7
72.08138	1.0
73.02892	0.8
79.05472	2.0
81.04536	1.4
81.07038	11.6
82.05331	1.6
83.06082	9.4
84.04477	1.3
84.08107	1.0
85.02895	0.8
87.08096	1.3
88.03986	0.9
91.05405	0.8
92.91640	0.7
93.04509	6.7
94.06538	1.1
95.06068	16.3
98.97572	1.2
107.06062	2.0
108.08123	0.8
110.07144	100.0
111.05567	1.4
111.07487	1.4
112.07581	46.9
112.08675	3.3
113.09634	1.2
116.98565	0.8
119.06054	0.8
121.07585	1.4
122.06007	1.1
123.04423	2.8
124.03947	1.3
136.07640	0.8
138.05457	0.8
140.07036	29.8
141.07312	0.9
147.04535	0.7
153.05437	1.5
154.08542	1.0
156.07645	13.8
157.09692	2.1
161.02959	0.8
163.12273	53.2
164.12616	1.9
166.06111	2.2
169.13329	0.8
182.08047	1.3
190.13368	6.3
193.13394	0.9
195.06512	1.1
201.58159	0.6
208.14412	12.6
209.12833	0.7
210.15903	1.5
212.15065	0.8
219.01726	0.8
219.11256	2.2
236.13896	9.1
240.17035	8.9
241.15291	0.8
254.14943	21.6
254.24998	0.6
255.15346	1.0
268.12939	1.1
268.16437	0.8
286.17545	91.8
287.10696	0.6
287.17920	3.7
299.00726	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0546
Annotation	Luteolin
Peak:m/z	Relative Intensity
53.03928	0.2
55.01860	0.2
65.03916	0.2
67.01836	0.2
67.05482	0.2
68.99774	1.5
69.03411	0.3
69.07056	0.1
69.51268	0.2
69.51675	0.5
70.06548	0.2
71.04971	0.2
72.08139	0.1
77.44309	0.1
79.05488	0.7
81.03392	0.3
81.07028	0.3
83.04966	0.1
84.08120	0.1
85.02911	0.1
85.06485	0.1
86.09685	0.1
89.16978	0.1
91.05473	0.5
93.03388	0.1
93.07024	0.4
95.04938	0.4
95.08566	0.3
98.15287	0.1
99.08042	0.1
100.74713	0.1
103.05459	0.5
105.03358	0.7
105.07000	0.4
107.04929	1.1
107.08578	0.2
109.02860	0.8
109.06524	0.2
109.10122	0.2
111.00780	1.3
111.04433	0.5
115.05441	0.2
117.06997	0.2
119.04890	0.2
119.08566	0.6
121.02844	5.5
121.03846	0.2
121.06482	0.4
121.10130	0.2
122.06010	0.1
123.04398	0.1
125.05980	0.1
127.03886	0.2
128.06169	0.2
129.06967	0.3
131.04890	0.3
133.02835	0.9
133.06432	0.1
135.04382	0.4
135.08040	0.3
137.02321	2.0
137.05943	0.9
137.09584	0.1
138.05463	0.2
140.07065	0.1
141.06966	0.4
145.06436	0.5
147.04387	1.4
147.08022	0.3
149.05933	0.6
149.09592	0.1
151.07491	0.5
152.06169	0.4
153.01807	8.6
154.02104	0.1
157.06444	1.0
161.05881	0.4
163.03873	0.1
163.07535	0.8
164.06970	0.2
165.01811	3.3
165.07027	0.2
165.09059	0.3
166.07759	0.2
167.07051	0.2
167.08516	1.2
169.06438	0.2
171.02960	0.2
171.04393	0.5
175.03870	0.2
175.07507	0.1
177.06961	0.2
183.02867	1.2
183.07925	0.1
184.05219	0.1
185.05878	0.8
185.07281	0.1
189.05460	0.3
194.07243	0.2
195.08011	1.6
197.05846	0.5
199.03922	0.1
201.05424	0.1
203.03371	0.1
203.07010	0.3
209.09677	0.2
211.07492	0.1
212.04651	0.1
212.08284	0.3
213.05424	2.9
214.05849	0.2
216.04071	0.2
217.04790	0.1
223.07552	0.7
227.08475	0.1
227.10576	1.7
229.04929	0.4
231.06447	1.1
240.07834	0.1
241.04913	1.4
242.05391	0.1
255.10146	1.6
258.05191	2.1
259.05966	0.7
269.04340	0.3
269.09048	0.2
269.12466	0.1
287.05441	100.0
288.05771	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	286.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.6
55.01872	2.0
55.05506	0.5
56.05016	0.5
57.03431	0.5
58.99568	0.6
59.05005	0.8
60.05650	0.5
60.08141	0.6
61.01129	0.5
65.03915	1.0
67.05482	3.8
69.03428	0.9
69.07059	1.6
70.02940	0.6
70.06579	16.3
70.06948	0.9
71.70468	0.5
72.08143	2.7
72.70230	0.5
73.02935	1.2
79.05479	6.0
80.05019	1.5
81.07044	2.3
82.06568	1.5
83.04981	0.5
84.04507	1.2
84.08139	4.3
85.01109	0.7
86.00651	0.6
86.06049	0.5
86.09694	5.0
87.00820	0.6
87.04456	12.4
87.04965	0.9
88.02187	1.7
88.03972	2.4
91.05462	16.5
91.06005	1.0
91.62094	0.5
93.05768	1.4
93.07024	18.9
94.06548	23.2
95.04966	3.1
95.08596	1.9
96.04469	0.7
96.08109	1.9
97.01093	0.5
97.06514	1.9
98.97488	0.5
99.04424	1.0
101.06057	0.4
103.05460	1.1
105.00085	0.6
105.07018	3.3
107.04922	1.1
107.08589	0.6
108.04525	0.5
108.08098	19.2
109.06506	1.1
110.06029	1.8
110.07143	2.6
110.09627	0.8
111.08078	1.3
112.07596	1.7
113.05949	0.9
115.05408	0.9
115.08713	0.5
116.07069	2.6
117.06982	4.3
118.06512	1.1
119.04932	1.0
119.08563	21.4
120.01156	0.5
120.08091	1.8
121.06482	5.7
121.10105	1.4
122.02692	1.3
122.06004	80.4
123.04426	1.2
123.08049	1.6
124.03934	3.6
125.04242	0.5
126.05457	0.6
126.09121	2.0
127.03884	0.4
127.08649	4.2
128.06180	0.7
128.07060	0.5
129.06978	1.7
129.10196	1.2
130.06534	0.6
130.07758	0.8
130.08682	0.8
131.04889	2.2
131.06998	1.6
131.08504	1.1
132.01164	0.5
133.06403	0.6
134.02672	1.1
135.08022	1.8
136.07552	40.3
137.02292	2.0
137.05919	1.7
137.09561	2.3
138.09102	3.4
139.07501	1.2
140.07034	3.9
143.11760	0.5
146.05977	1.1
147.04349	1.2
147.08015	13.1
147.11172	0.5
149.04236	0.4
151.05743	2.1
154.08604	20.0
155.08102	3.4
156.07700	1.1
164.07039	14.8
165.05418	1.4
165.09096	8.2
169.06061	0.5
179.05228	10.8
182.08095	100.0
183.08420	1.1
185.05933	0.8
191.10649	0.5
192.03664	0.5
192.55983	0.4
193.07306	0.6
197.06253	1.3
200.09138	4.2
209.11670	7.0
213.05402	1.4
219.12257	2.5
223.07625	0.4
226.06970	3.3
226.09206	0.9
229.15361	1.2
236.70801	0.5
237.13278	1.0
240.08437	0.9
240.10495	0.8
241.04802	0.7
254.08823	1.2
268.07819	2.7
278.95837	0.4
286.08994	26.4
286.17999	0.8
286.20050	5.0
287.05435	36.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.0741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.6
55.01857	0.7
56.05043	0.6
56.96538	0.4
58.99582	2.8
62.69144	0.4
62.72526	0.4
67.05489	0.6
69.03414	0.7
70.05522	1.1
70.05920	0.8
70.06584	14.6
72.08131	1.6
73.02911	0.4
74.06025	0.5
76.02219	5.0
79.05483	0.8
81.07035	0.7
82.06555	0.7
83.06097	0.5
83.97884	0.4
84.04469	1.0
84.08130	5.0
85.02889	0.7
86.05971	0.4
86.09706	2.1
86.99032	1.7
88.02185	1.1
88.03986	2.1
91.05457	1.8
92.32165	0.4
93.07037	2.4
94.06564	2.1
95.04954	14.0
95.06002	0.6
95.08598	0.5
96.04483	0.4
97.06455	0.7
98.97566	1.1
103.05482	0.6
105.00069	3.6
107.04951	0.9
107.08582	0.4
108.04440	0.4
108.08114	1.7
110.07145	3.0
112.07604	3.0
112.64180	0.4
116.07063	1.5
116.07860	0.4
116.98592	0.6
119.04923	0.5
119.08558	1.2
120.59558	0.5
121.06490	1.6
122.02712	27.2
122.06005	6.7
123.04411	100.0
124.03922	5.3
124.04773	1.8
126.05438	0.5
126.09150	1.1
129.10309	0.4
130.04958	0.6
130.08670	0.5
135.02664	0.5
135.07985	0.5
136.07539	3.8
138.02245	0.4
138.05429	0.8
140.07025	2.8
141.10226	0.6
147.04393	0.9
147.08063	0.5
154.04950	1.7
154.06116	0.5
154.08618	2.6
156.07660	0.7
162.35583	0.5
163.12297	1.3
164.07072	1.7
165.05453	42.5
166.05830	0.7
173.01048	0.4
176.11916	0.5
179.01596	0.6
180.13861	0.6
182.08122	8.8
183.14906	1.9
184.00476	0.4
194.12910	0.6
200.09212	1.8
211.10535	0.5
211.14392	0.7
215.13843	0.6
217.77327	0.4
223.07530	1.0
226.59187	0.4
240.10234	1.2
240.13373	0.6
243.67886	0.5
268.08044	1.0
268.23798	0.7
271.80402	0.4
281.02039	0.4
286.08920	3.3
286.11945	0.9
286.17502	3.4
286.24860	1.2
287.05545	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89402	0.4
55.05506	1.0
56.05019	0.8
56.96560	0.8
57.03413	0.5
58.99574	2.5
59.04974	0.8
60.05621	0.6
61.02898	1.0
62.35698	0.5
64.29475	0.5
69.07055	1.4
70.06583	13.4
71.04961	1.5
71.51908	1.0
72.08140	3.8
73.02887	0.7
73.28973	0.6
75.05566	0.5
75.09046	0.5
76.02216	6.1
79.05478	1.3
80.04993	0.9
81.07027	2.0
83.06078	1.7
84.04488	1.8
84.08128	3.0
84.46358	0.6
86.06013	0.5
86.09679	2.1
86.99028	1.2
88.02187	1.3
88.03974	1.3
91.05450	1.8
93.04509	1.2
93.07029	1.9
94.06550	2.0
94.16304	0.5
95.04951	12.8
95.06056	2.5
97.02875	0.7
98.97559	1.6
103.03963	0.6
103.05398	1.1
104.25172	0.5
105.00068	3.4
106.06568	0.5
108.08105	1.8
110.07143	17.4
112.07582	6.0
112.08685	1.3
115.08630	0.5
116.07055	2.4
116.16634	0.5
116.98615	1.2
119.04922	1.0
120.01160	0.6
121.06474	1.4
122.02711	28.9
122.06003	6.0
123.04405	100.0
124.03939	8.9
124.04757	1.3
124.07571	0.6
126.09121	0.9
129.10251	0.7
130.04971	0.9
134.99658	0.6
135.02592	1.0
135.08032	0.9
136.07552	3.2
138.05487	1.3
140.07033	5.4
141.10185	0.8
147.04369	0.7
147.08025	0.6
154.04976	1.3
154.08635	3.5
156.07660	2.7
157.09666	0.6
163.12267	9.1
164.07053	1.1
165.05450	40.6
166.05939	0.7
173.01228	0.6
182.08093	7.8
183.14877	0.9
185.09241	1.4
190.13383	1.3
193.13350	0.6
200.09196	1.7
208.14409	2.1
211.10611	0.6
223.07523	0.9
236.13948	1.9
240.10402	1.3
240.17102	1.4
254.14980	4.1
286.08841	3.9
286.14352	0.8
286.17569	16.0
286.24704	0.6
287.05469	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	285.1692
Annotation	Dihydroartemisinin
Peak:m/z	Relative Intensity
50.58838	0.8
53.03933	1.7
55.01836	3.3
55.05498	18.4
57.03149	1.4
57.03424	24.4
57.07049	2.1
59.04977	1.4
59.14201	0.9
61.96613	0.8
63.11242	0.9
63.62449	0.8
65.03919	1.3
67.05489	37.1
69.03396	2.5
69.07053	22.3
70.06549	1.1
70.45377	2.5
71.04987	7.1
77.03941	1.0
79.05474	19.8
81.03401	25.4
81.07037	100.0
83.04953	8.7
83.08601	18.2
83.91542	0.8
85.02881	5.6
85.06526	7.0
91.05463	28.4
93.07022	15.5
95.04948	11.8
95.08584	26.4
97.06502	8.0
97.10144	1.5
99.04430	1.5
99.08060	3.8
101.05994	2.7
105.07011	42.4
107.04916	2.6
107.08575	15.5
109.06483	7.7
109.10118	4.0
111.04404	1.5
111.08078	5.0
113.05978	2.1
115.05431	1.2
117.06927	1.3
119.04922	1.0
119.08557	34.2
121.10119	22.4
123.08074	5.7
123.11673	33.5
127.07501	3.6
129.06955	5.2
131.08545	4.6
133.06427	2.4
133.10098	6.8
135.11650	1.2
137.09595	1.4
137.13249	1.8
139.43269	1.0
141.08990	1.8
143.08511	2.1
145.10086	3.4
147.11658	82.2
149.09576	2.6
155.08456	1.4
157.10109	7.1
159.11700	1.8
161.05898	3.0
164.03419	0.8
165.06973	3.4
165.12717	44.2
166.13074	1.0
169.10081	1.3
171.11618	2.1
173.13232	1.6
175.11162	6.2
181.04881	0.9
182.07181	1.2
183.11606	1.6
183.13760	6.5
193.06468	3.6
193.12210	21.3
197.09604	1.0
198.75450	1.0
199.14774	1.6
203.17937	1.0
210.06653	2.3
211.13190	6.6
221.05893	3.6
225.09061	5.2
229.14281	11.3
253.08533	11.7
265.73129	0.9
267.15854	9.4
267.20963	1.8
285.03751	2.7
285.07785	1.3
285.11661	10.7
285.16864	81.8
285.22021	6.2
286.17294	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.169
Annotation	Dihydroartemisinin
Peak:m/z	Relative Intensity
53.03938	1.9
55.01860	6.5
55.05503	13.5
57.03426	22.0
57.07056	2.5
58.08044	0.9
63.00073	0.8
65.03924	0.8
67.05492	35.2
69.03419	2.4
69.07056	19.3
70.58536	1.6
71.04979	4.7
73.02923	0.8
79.05477	17.3
81.03409	2.0
81.07040	100.0
82.86185	0.8
83.04959	8.4
83.08607	10.2
85.06528	6.5
87.04446	0.7
91.05469	20.9
93.07027	13.2
95.04939	3.6
95.08590	26.6
97.06506	8.5
97.10169	1.4
99.08073	4.4
101.05981	1.3
105.07009	35.3
107.08568	12.6
109.06495	6.3
109.10122	3.0
111.08046	1.6
113.05976	1.6
119.08558	29.2
121.10117	24.6
123.08037	4.2
123.11678	31.7
127.07529	4.1
129.06999	1.8
129.52457	0.9
131.08586	1.4
133.10117	2.3
137.13214	3.4
139.11174	0.8
141.09085	1.6
145.10085	1.6
147.11656	87.2
148.12015	1.6
149.09581	0.9
157.10100	2.7
161.05899	0.9
165.07010	0.9
165.12721	49.9
171.11717	0.8
175.11148	2.4
183.12067	1.1
183.13730	9.7
193.12167	2.4
211.13205	1.7
225.09047	2.2
229.14307	13.0
243.11119	1.0
246.47890	0.8
253.08504	3.1
267.15860	10.0
267.68802	0.8
285.11478	3.0
285.16901	73.9
286.17105	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1691
Annotation	Dihydroartemisinin
Peak:m/z	Relative Intensity
53.03933	2.1
55.05501	14.0
55.16413	1.2
55.31737	1.1
57.03429	20.9
57.07063	1.9
57.98912	1.0
65.03932	1.4
67.05495	35.5
69.03462	1.4
69.07059	22.0
70.59346	2.9
71.04979	4.8
79.05484	16.2
81.03413	1.8
81.07043	100.0
83.04980	7.2
83.08607	12.5
85.06508	6.4
91.05467	26.6
93.07034	13.6
95.04932	2.6
95.08595	19.7
97.06531	7.0
97.10134	1.6
98.21317	1.4
99.08061	3.9
101.05987	2.2
105.07013	35.7
107.08569	12.6
109.06519	7.8
109.10156	2.2
111.08063	2.8
113.05990	1.4
119.08559	26.5
121.10126	19.2
123.08050	4.6
123.11688	29.7
125.09608	1.1
127.07495	3.3
129.06950	1.9
131.08485	1.9
133.10132	1.9
135.11681	1.3
137.13246	3.8
141.09109	2.0
145.10088	1.8
147.11661	72.0
148.11925	1.4
157.10088	4.2
165.12729	44.9
171.01276	1.2
175.11163	2.6
181.04851	1.3
183.13763	5.4
193.12219	3.5
211.13194	1.5
229.14380	8.9
251.89375	1.1
267.15845	5.2
285.16898	82.0
285.22083	3.8
285.29419	1.3
285.33221	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	285.1691
Annotation	Dihydroartemisinin
Peak:m/z	Relative Intensity
53.03935	1.2
55.01861	2.3
55.05498	15.2
56.05844	0.5
57.03141	1.1
57.03425	21.9
57.07054	1.1
59.04987	1.0
60.17142	0.5
65.03909	1.1
67.05489	30.4
68.05820	0.5
69.03407	0.8
69.07055	19.4
69.45519	0.5
69.45821	4.3
71.04979	6.8
73.02894	0.4
73.06548	0.9
79.05476	16.7
81.03405	0.8
81.07040	100.0
82.07373	1.1
83.04969	6.9
83.08603	9.7
85.02903	1.0
85.06528	7.9
87.04432	0.6
91.05462	26.2
93.07021	12.2
95.04942	3.5
95.08587	20.1
97.06512	7.7
97.10155	0.8
98.21552	0.6
99.04468	1.0
99.08080	4.9
99.59940	0.5
101.05992	1.9
105.07006	36.4
107.08569	12.0
109.06508	5.8
109.10133	1.5
111.08049	1.7
113.05988	1.5
117.07000	0.5
117.36883	0.5
119.08553	27.4
121.10118	20.5
123.08044	5.1
123.11678	30.3
127.07539	3.2
129.06978	2.7
131.08554	2.2
133.10071	3.6
135.11679	0.6
137.09575	0.9
137.13264	3.2
141.09076	1.3
142.07764	1.4
145.10115	1.1
147.11655	78.7
147.56412	0.5
148.12015	2.2
157.10092	4.8
157.62993	0.5
159.11668	0.6
165.12714	41.6
166.13139	0.6
175.11145	4.5
182.07173	0.6
183.13785	5.9
185.66313	0.5
193.06441	0.9
193.12172	4.3
210.06726	0.7
211.13248	1.3
221.05901	1.0
225.09029	2.1
229.14293	10.8
253.08504	2.6
267.15823	7.0
284.41422	0.5
285.11429	3.8
285.16895	76.2
285.22040	2.3
286.17276	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	284.0985
Annotation	Guanosine
Peak:m/z	Relative Intensity
55.01855	0.3
56.24445	0.1
56.96533	0.2
57.03409	0.3
61.02911	0.1
63.27932	0.1
69.03418	0.1
70.06554	0.2
70.29993	0.5
73.02899	0.2
84.08132	0.3
85.02883	0.3
90.01464	0.1
92.59799	0.1
97.02871	0.2
102.26022	0.1
109.05128	0.4
110.03498	1.8
110.07133	0.2
115.03894	0.1
118.29068	0.1
119.01900	0.2
128.04538	0.9
130.08679	0.1
133.04964	0.2
134.04552	0.2
135.02992	3.7
150.07715	0.3
152.05647	100.0
153.04051	5.9
153.06038	0.7
154.02448	0.2
162.66006	0.1
176.64365	0.1
254.89937	0.1
284.09863	0.4
284.17053	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
54.86507	0.4
55.01859	1.9
55.05230	0.6
55.05502	15.1
57.03426	23.7
57.07058	1.2
59.04987	1.0
65.03935	1.3
67.05493	34.9
69.03416	1.2
69.07056	21.2
69.38848	1.0
69.39256	2.9
71.04980	6.7
73.06546	0.9
79.05480	19.2
81.03412	0.9
81.07040	100.0
82.07371	0.6
83.04964	8.7
83.08601	9.0
85.02881	0.6
85.06529	7.0
87.04452	0.8
91.05463	26.3
92.05742	0.6
93.07028	13.8
95.04953	3.1
95.08588	21.3
97.06510	9.4
97.10148	1.4
98.20759	1.0
98.46527	0.4
99.04459	0.7
99.08068	5.0
100.11253	0.5
101.06013	1.4
105.07013	34.9
107.04942	0.7
107.08572	12.4
109.06504	5.8
109.10122	2.1
111.08067	1.5
112.99147	0.4
113.05997	1.1
114.99152	0.4
115.07527	0.6
117.07004	1.1
119.08559	30.7
120.08887	0.5
121.10123	21.1
123.08054	5.1
123.11683	30.9
125.09632	0.5
127.07528	3.5
129.06976	2.7
131.08531	1.9
133.10121	4.0
137.09637	0.7
137.13208	2.7
141.09096	1.4
145.10074	1.4
147.11658	76.7
148.12033	1.0
149.09586	1.3
149.13239	0.4
151.11128	0.5
157.10118	3.6
165.07059	0.8
165.12720	45.2
166.13135	0.9
171.11632	0.5
173.13342	0.6
175.11195	4.1
183.13782	5.7
191.03290	0.5
191.33934	0.4
193.06477	0.5
193.12216	4.6
210.06758	0.6
211.13193	0.9
221.05916	0.7
225.09050	1.6
229.12076	0.8
229.14316	9.7
243.11171	0.9
253.08592	2.0
267.15753	5.0
269.62689	0.4
285.11557	3.4
285.16901	77.2
285.22064	2.3
286.17236	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	284.0946
Annotation	Unknow
Peak:m/z	Relative Intensity
66.85062	0.4
70.09075	2.0
72.08142	0.5
73.29767	0.4
74.31023	0.3
74.78458	0.4
80.87416	0.4
86.02098	0.4
93.44267	0.4
95.05000	0.4
95.35793	0.4
103.05453	28.7
110.05984	0.4
120.08070	0.5
120.45096	0.4
131.04904	100.0
132.05235	1.2
135.11732	0.4
146.10954	0.4
150.09161	0.4
163.07515	44.2
164.07895	0.7
165.03673	0.5
178.08597	1.4
206.08072	2.3
218.08055	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.4
55.01858	7.6
57.03415	6.3
60.04507	2.1
61.02918	6.8
68.08488	1.2
68.99786	1.7
69.03415	35.6
70.06592	1.5
70.67708	1.5
70.68031	3.0
71.04976	4.7
72.08136	2.1
73.02908	11.8
81.03403	27.4
81.07059	1.8
82.95801	1.2
84.04481	2.7
85.02890	87.7
86.09698	2.4
87.00807	36.5
91.03934	3.0
95.08612	1.7
96.08141	1.3
97.02869	54.5
98.06023	1.3
99.00815	1.2
99.04436	16.8
99.09225	1.4
105.01843	65.0
108.04476	9.4
109.02857	27.7
109.06535	1.3
115.03915	2.3
117.01852	3.6
121.02844	1.7
122.03162	2.1
122.06039	1.4
126.05505	3.9
127.03894	100.0
129.01849	4.1
134.23177	1.4
145.04929	82.8
147.02919	2.5
149.36357	1.3
159.02859	27.1
164.11508	1.6
177.03955	2.1
189.03970	1.7
191.03372	1.2
195.92186	1.3
213.03882	3.3
221.05908	1.4
225.09103	1.6
229.57411	1.4
230.06645	3.1
231.04935	35.7
248.07664	7.3
249.05989	12.6
253.08519	1.6
261.04303	2.1
266.08664	2.3
269.04288	3.3
270.05151	17.9
277.96390	1.5
284.09702	9.0
284.29385	3.8
285.04163	2.0
285.07492	37.4
285.10852	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.9
55.01854	3.4
55.05501	8.4
57.03428	11.1
57.07071	1.5
61.02892	0.5
65.03938	1.1
67.05494	16.5
69.03426	2.0
69.07055	7.6
71.04992	2.7
71.08601	0.8
71.55315	0.8
72.08163	0.8
73.02903	1.2
79.05479	22.3
81.03399	3.7
81.07044	17.7
81.07511	1.1
83.04968	3.7
83.08604	9.2
85.02906	1.7
85.06512	1.1
89.06059	0.6
91.05460	7.0
93.07027	33.4
94.07393	0.7
95.04944	7.6
95.08591	32.9
97.02864	4.1
97.06533	3.7
97.10188	0.7
99.04440	4.3
102.99103	0.5
103.05440	1.3
105.07005	7.2
106.93783	0.5
107.04932	8.8
107.05601	0.7
107.08574	25.3
109.02862	1.0
109.06512	2.3
109.10120	3.6
111.04444	2.3
111.08079	1.6
113.09652	0.7
117.07004	8.4
119.08562	9.0
120.04502	0.6
121.02843	11.9
121.06492	6.4
121.10121	12.7
121.50116	0.6
123.08047	0.8
123.11699	0.5
125.05978	2.6
129.06981	0.6
130.07774	2.3
131.04922	1.0
131.08585	1.0
133.10109	2.5
135.04446	0.6
135.08058	1.6
135.11668	42.4
136.12016	0.8
139.03856	0.8
139.07518	2.3
143.08554	1.9
145.06468	0.7
145.10094	25.2
147.11598	0.6
149.09593	0.6
149.13280	0.7
153.12663	0.7
155.08524	1.4
159.04477	0.5
163.11151	55.4
164.11475	0.7
165.07016	0.7
167.07072	1.1
167.08459	0.5
173.09552	1.2
181.12201	10.9
181.13672	0.9
191.10590	0.6
191.17606	0.5
195.08034	0.6
201.12500	0.6
203.00990	0.7
209.11649	1.7
220.09654	0.7
223.07503	0.7
227.12743	100.0
228.13287	2.8
238.05247	0.6
240.07784	0.6
265.18027	0.6
283.09821	3.6
283.15329	33.3
283.20514	2.1
284.15680	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04942	0.4
60.70341	0.5
67.05485	0.6
70.06581	1.1
70.32552	1.8
71.08634	0.5
72.08143	0.8
76.30980	0.4
81.07037	0.6
84.08137	0.8
86.09704	0.7
87.04464	2.5
89.06019	100.0
90.06341	0.5
91.05469	0.6
103.05437	0.5
105.07005	0.7
107.07066	3.4
120.08131	0.7
121.02829	1.6
130.08565	0.8
131.49364	0.5
133.08585	45.6
147.04323	0.6
151.09653	1.2
177.11195	9.9
186.11208	0.8
195.12300	2.8
221.13847	0.6
239.14893	2.2
265.16666	0.6
283.17450	10.7
283.19952	0.7
284.17807	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1192
Annotation	N6-Methyladenosine
Peak:m/z	Relative Intensity
54.14400	0.2
55.05551	0.2
56.05094	0.4
56.96584	0.2
57.03481	0.2
69.03485	0.2
69.50334	1.1
69.50666	0.2
78.38356	0.1
84.07650	0.4
84.08128	9.9
85.02918	0.2
85.07970	0.2
85.08447	1.8
86.09727	0.1
91.54011	0.1
94.04079	0.1
94.93017	0.1
98.20790	0.3
109.05146	0.6
112.07610	0.2
117.97132	0.1
127.49442	0.1
130.08594	0.9
133.05096	0.6
138.05461	0.2
142.61954	0.1
150.07716	100.0
151.08112	0.9
152.06877	0.1
157.05075	0.2
162.07802	0.2
168.03210	0.2
170.06548	0.7
171.06779	1.7
172.06279	0.2
175.06160	0.2
186.06026	0.2
187.06067	0.1
188.07625	0.2
189.07782	0.3
192.08740	0.3
204.05316	0.3
204.07077	0.1
220.04819	0.3
222.06235	0.2
222.09654	0.2
235.12718	0.3
236.13083	2.4
237.12398	0.1
246.11609	0.7
252.12387	0.2
264.12567	3.0
265.12091	0.1
281.13187	0.1
281.63181	0.2
282.04517	0.6
282.11551	8.9
283.12592	0.3
290.64050	0.8
291.13898	0.8
291.63895	0.2
300.14651	5.1
300.17886	0.2
301.13873	0.4
303.13953	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	282.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
55.01853	2.2
55.05500	1.3
56.05026	1.1
56.12064	0.5
57.03414	2.2
57.07052	1.2
60.04514	0.9
61.02917	5.8
62.70903	0.5
67.05479	1.6
69.03077	0.8
69.03417	9.9
69.07042	0.9
70.06567	1.7
70.95032	1.7
71.04971	1.2
72.08134	2.6
73.02899	4.0
74.06048	0.8
77.91415	0.6
81.03414	3.2
81.07037	0.9
84.04472	1.3
84.08134	3.0
85.02888	55.4
85.06522	12.2
86.09697	1.1
87.04439	1.7
88.03963	1.9
91.03932	4.4
93.07017	0.9
95.04961	1.0
97.02875	10.2
98.97577	0.9
99.04442	2.8
102.69908	0.6
103.07571	1.3
105.06994	0.6
107.04958	0.8
109.02847	4.3
110.07131	1.2
112.05063	1.2
112.07553	1.1
115.03919	1.0
116.98560	0.7
118.06476	0.7
119.04871	0.7
120.08102	3.4
121.06466	0.9
121.08409	4.1
123.04412	0.8
127.03895	13.5
129.10239	0.8
130.08633	1.0
133.01051	0.5
134.09653	0.7
136.06155	0.7
137.05937	2.7
140.07018	0.7
142.78101	0.5
145.04933	32.6
146.08076	1.1
147.04384	0.9
149.64091	0.5
150.07718	100.0
151.07997	1.9
153.10181	1.2
161.00504	0.9
162.05460	1.0
162.07626	0.6
163.05989	11.3
166.33151	0.5
177.05406	0.8
177.07816	2.4
178.00798	1.8
178.08611	0.6
180.08626	1.1
193.03143	15.6
229.10670	5.1
237.15846	0.7
271.04697	1.6
282.07510	1.1
282.09598	0.5
282.11914	10.9
282.14926	1.1
282.18018	2.6
282.21786	0.5
283.12531	1.3
301.72675	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1376
Annotation	Linderagalactone B
Peak:m/z	Relative Intensity
50.88755	0.6
51.02371	0.8
53.03925	2.6
55.01616	1.1
55.01856	10.2
55.05498	4.8
57.03423	5.6
59.04981	1.8
67.05490	4.1
69.03415	26.0
71.01335	7.7
71.03123	2.1
75.04459	2.5
76.07274	0.7
77.03906	0.7
79.05477	34.4
81.07026	4.5
85.02879	9.4
87.04447	3.1
91.05460	19.7
93.07023	100.0
95.04946	7.5
95.08581	5.1
97.02866	18.5
105.04519	0.8
105.06999	9.2
106.07817	0.9
107.04935	0.9
107.08574	19.1
109.06490	1.4
111.08049	2.1
115.03908	14.0
117.07013	1.0
119.08550	18.3
121.06473	1.5
121.10116	75.9
122.10428	1.0
123.08038	1.2
129.06943	1.1
131.08551	8.3
139.11156	1.4
147.08006	1.5
149.09595	18.8
149.10745	1.5
159.08049	0.9
167.10654	5.4
169.04970	1.3
174.50923	0.8
234.03206	0.7
281.13849	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.154
Annotation	Metalaxyl
Peak:m/z	Relative Intensity
55.05489	0.8
57.03410	1.0
57.07063	2.8
58.07394	1.2
66.48157	0.5
67.05478	1.0
69.03419	6.2
69.24346	6.3
69.28384	0.5
71.01329	0.7
72.22166	0.6
79.05486	6.7
81.03407	0.6
81.07030	1.5
85.02888	1.8
91.05469	3.7
91.72385	0.6
92.05872	0.7
93.06478	1.0
93.07028	15.1
95.04946	1.3
95.08600	1.4
97.02869	4.3
99.22600	0.6
103.32435	0.5
105.07021	6.9
107.08556	3.8
115.03890	2.4
119.08572	3.2
120.08883	0.9
121.02783	0.7
121.08810	1.0
121.10120	11.7
131.07344	0.7
131.08533	1.8
132.08076	3.4
133.08855	4.0
134.09633	7.5
134.10565	1.2
144.08076	1.0
145.08842	5.5
146.09642	5.0
147.08087	1.1
148.11186	13.9
149.02324	12.5
149.09602	4.9
150.02652	13.2
160.11192	67.9
161.11526	2.1
162.12752	10.0
165.11491	2.3
188.10770	0.7
192.13799	62.9
193.14166	1.5
220.13292	100.0
221.13625	3.0
248.12790	27.6
249.13010	1.1
280.12347	0.5
280.15381	10.8
280.20349	3.9
281.13684	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	280.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02330	0.3
53.03947	0.3
55.05488	1.5
56.05011	0.4
57.03417	0.5
57.07070	1.8
58.07400	0.7
59.04978	0.8
61.02919	1.8
65.03928	0.5
65.69238	0.3
67.05482	1.2
69.03402	0.5
69.07053	0.6
70.02898	0.3
70.06580	5.3
71.04982	2.6
71.53027	0.5
72.08146	2.0
72.66121	0.3
79.05486	1.0
81.03419	0.6
81.07038	5.4
83.08595	1.0
84.04481	1.6
84.08131	2.7
84.89989	0.4
85.02864	1.1
86.09692	4.7
86.99031	0.4
88.02206	0.4
88.03971	0.6
91.05470	1.0
93.07005	0.5
95.04944	0.6
95.08574	1.4
99.08077	0.4
105.06992	0.5
107.04950	0.4
107.08581	0.4
109.02902	0.4
109.05096	3.0
109.06509	0.3
110.07150	1.1
111.33563	0.3
112.11208	0.4
113.09612	0.9
116.01690	0.5
116.07040	0.5
119.03545	0.4
119.04926	1.2
120.08088	2.2
121.02835	0.5
121.10102	0.5
123.04388	0.5
123.08046	0.5
123.11688	0.4
129.10225	0.8
133.05080	2.4
135.05383	0.4
141.09081	0.8
145.06375	0.4
146.06804	1.1
147.04385	3.9
149.02330	9.9
149.09531	0.4
150.02663	8.2
150.07719	100.0
151.08055	0.6
154.04814	0.4
156.07666	0.4
162.02132	1.2
163.02483	1.1
173.09866	0.5
174.06265	0.7
176.07016	0.8
177.05452	0.5
177.10999	0.5
178.05873	0.4
184.10806	0.4
192.07404	0.6
205.08588	0.6
206.05327	0.3
206.09003	1.2
211.21706	0.7
216.08623	2.0
219.06407	0.4
220.06931	0.5
233.08072	0.4
234.08376	2.1
248.15024	29.4
249.15150	0.5
252.09393	0.5
262.07938	0.7
262.10788	1.0
262.14700	0.5
280.08691	1.6
280.12341	1.5
280.17642	65.5
281.15027	0.8
281.17917	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	280.1208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.9
55.01848	2.3
55.05499	3.7
56.05014	2.1
57.03415	1.5
57.07075	3.7
58.06582	0.6
58.07388	1.0
58.99570	3.9
59.04992	0.7
61.01121	1.3
67.05498	4.9
68.62060	0.6
69.07047	3.9
70.06582	3.3
71.04960	0.8
71.08605	2.2
71.43145	1.5
72.08125	2.6
73.01088	0.7
73.02895	4.9
74.00651	30.2
74.02411	1.0
74.84560	0.7
76.02206	1.2
81.03389	1.4
81.07039	1.8
82.23460	0.6
83.08578	1.8
84.08125	4.5
85.01101	4.2
85.06509	0.6
86.00643	1.9
86.09689	6.7
86.99027	4.4
87.02657	1.5
87.10030	0.8
88.02194	2.1
88.03973	7.7
89.00587	5.2
91.05465	2.6
92.01672	1.7
93.07034	6.3
95.04962	0.8
95.08589	34.1
98.06006	0.8
99.02680	1.6
99.08073	2.8
100.02161	1.0
102.98516	0.8
103.05502	0.8
105.00075	3.2
105.07002	1.0
107.04954	0.8
107.08552	1.1
110.07134	1.5
112.11227	3.5
113.09627	2.8
114.00087	1.0
116.01698	1.1
117.00022	0.7
119.04911	1.9
119.08572	1.9
120.01141	100.0
120.08091	5.9
121.02819	0.9
121.08411	3.9
121.10103	0.7
123.08035	4.4
127.05752	6.2
129.06581	0.7
129.10188	1.9
130.06511	1.1
132.01144	4.3
132.10179	1.0
134.02727	0.8
136.03911	1.8
136.11241	0.9
141.09094	3.7
147.04373	7.3
149.02315	15.1
150.02655	14.8
150.03841	0.7
154.04935	0.8
155.05263	2.2
159.10085	0.8
162.02164	1.0
163.00578	1.3
166.07210	1.3
170.09937	3.7
171.08400	1.2
174.02229	1.2
198.09448	2.2
199.07907	2.3
199.89885	0.7
216.10522	10.8
217.08876	4.5
227.07320	0.8
230.73735	0.7
234.09459	0.8
239.03949	0.7
240.03944	0.7
244.09990	23.6
244.12424	1.4
245.08395	4.9
262.11005	18.3
263.09375	12.1
280.12137	18.1
280.15045	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2312
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03928	0.8
55.05251	0.8
55.05499	8.3
57.03428	0.8
57.07059	8.7
61.60265	0.4
65.03920	3.2
67.05490	93.3
68.05816	1.0
69.03403	0.8
69.07053	10.0
69.71632	1.6
69.72046	1.1
71.04972	1.5
79.05116	0.4
79.05476	12.2
81.07040	100.0
82.07379	0.9
83.04939	0.8
83.08599	5.9
85.06535	1.2
91.05452	4.3
92.96583	0.5
93.07022	11.7
95.04970	0.7
95.08586	82.3
96.08924	1.1
97.06520	1.6
97.10143	3.9
99.08052	0.5
101.06015	0.6
105.07004	4.4
107.05000	0.4
107.08577	8.9
109.06525	1.1
109.10134	51.0
110.10480	1.4
111.08042	1.0
111.11703	1.4
117.06998	1.4
119.08559	3.5
121.02824	1.9
121.10114	8.7
123.08046	1.4
123.11684	27.7
125.09583	0.7
127.07535	0.5
131.08530	4.4
133.10094	3.1
135.08092	1.0
135.11653	5.2
135.14784	0.4
137.09589	1.3
137.12164	0.6
137.13225	10.7
137.14224	0.8
138.13539	0.5
139.11108	0.5
145.10097	2.8
147.11674	2.7
147.67790	0.4
149.02313	45.3
149.09563	2.0
149.13191	2.9
150.02637	2.3
151.11156	1.4
151.14780	3.6
153.09151	0.5
159.11632	2.3
161.13223	2.5
163.11153	1.8
163.14774	1.9
165.12730	1.3
165.16341	1.0
167.03421	0.9
167.10612	0.9
173.05899	0.4
173.13185	3.4
175.14813	1.5
175.55507	0.4
177.12715	1.5
177.16335	1.0
179.14287	1.3
181.12169	1.7
187.14790	3.2
190.05013	0.6
191.14304	1.7
195.13724	3.4
201.16237	0.5
205.08597	0.5
205.15860	1.5
209.15340	3.1
217.19699	0.6
219.21005	1.4
222.44551	0.4
223.16884	3.1
237.18433	1.3
243.21068	4.8
261.22104	6.5
279.09482	0.8
279.12433	2.2
279.23120	65.8
280.23526	3.6
285.47226	0.5
288.64923	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2312
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
53.03928	1.2
55.01876	0.6
55.05499	8.3
57.03419	0.8
57.07063	9.3
57.28705	0.4
58.07393	0.4
65.03923	2.9
65.95472	0.4
67.05489	94.6
68.05819	1.4
69.07053	10.6
70.71161	1.5
71.04980	1.0
71.08605	0.9
79.05473	11.7
79.37469	0.4
81.07037	100.0
82.07380	1.2
83.04962	1.3
83.08597	6.5
83.80184	0.4
85.06522	1.9
91.05453	4.2
93.07025	10.8
95.04935	0.9
95.08585	84.6
96.08918	1.0
97.06523	1.4
97.10132	3.0
99.04506	0.5
105.07018	3.4
106.22934	0.4
107.08567	9.4
109.06470	1.3
109.10132	47.9
110.10435	0.7
111.08091	0.7
111.11697	1.2
117.06966	1.3
119.08568	3.2
121.02864	1.7
121.10117	7.9
123.08112	1.0
123.11682	25.8
124.11975	0.7
125.09663	0.8
127.07468	0.5
131.08522	4.1
133.10092	3.3
135.08063	0.7
135.11652	5.3
137.09621	1.2
137.12199	0.7
137.13229	10.4
145.10104	2.5
147.11662	2.6
149.02307	53.1
149.09560	1.3
149.13248	3.2
150.02649	1.9
151.11148	1.3
151.14780	3.3
153.09076	0.6
155.10617	0.6
159.11626	2.7
161.13213	1.9
163.11125	1.6
163.14795	1.9
165.12749	1.0
165.16351	1.7
167.03342	1.7
167.10660	0.6
167.14194	0.4
169.03922	0.4
173.13235	3.0
177.12698	1.6
177.16336	0.9
179.14288	1.5
181.12224	1.6
187.14806	2.6
191.14281	1.2
195.13783	2.9
201.16324	0.7
205.08575	0.5
205.15874	1.0
209.15334	3.6
219.17558	0.6
219.21021	1.4
223.16890	3.0
237.18474	1.6
243.21010	4.5
261.22083	6.2
276.92514	0.4
279.09418	1.0
279.12140	1.3
279.23114	60.3
280.23572	2.1
301.51416	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1699
Annotation	H-Ile-Phe-OH
Peak:m/z	Relative Intensity
55.05502	0.6
56.05030	0.4
57.03444	0.3
57.05813	0.5
57.07066	7.2
58.06576	0.3
65.03918	0.5
67.05481	0.6
69.07056	10.9
70.06575	0.8
71.04990	0.3
71.53214	0.4
72.08133	0.6
79.05488	0.4
81.03456	0.3
81.07031	0.6
84.08143	0.8
84.17847	0.2
86.09691	100.0
87.10033	1.3
89.06023	0.3
91.05457	1.2
93.07030	0.7
95.04946	0.4
95.08556	0.7
103.05434	0.7
105.07018	1.1
107.08591	0.4
109.02853	0.5
110.06047	1.3
110.07095	0.3
116.07072	0.4
116.70815	0.3
119.08580	0.5
120.08084	12.6
121.02830	1.8
121.10127	0.4
123.04337	0.3
124.07572	0.4
125.08351	0.8
129.10246	0.4
131.04803	0.3
131.08531	1.2
132.46375	0.3
133.10045	0.3
143.11714	0.3
145.06442	0.7
145.09988	0.3
147.08023	0.3
149.02313	52.4
150.02650	1.1
156.07700	0.3
159.08018	2.3
161.09573	1.0
166.07384	0.2
166.08615	5.5
167.03439	1.3
177.09004	0.4
187.07430	0.4
190.05043	0.3
205.08606	1.1
207.06009	0.5
233.16476	0.6
243.10136	0.5
244.09454	0.4
261.07809	0.3
261.11728	0.5
261.15207	0.4
279.09479	0.5
279.12366	2.2
279.16971	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	279.1697
Annotation	Leu Phe
Peak:m/z	Relative Intensity
57.07066	2.1
57.68954	0.3
69.07063	0.5
69.95861	1.8
75.27560	0.3
80.24763	0.3
86.09689	100.0
87.10039	1.2
91.05527	0.4
98.20803	0.4
103.05444	0.7
108.59968	0.4
120.08081	25.9
121.08438	0.6
124.26907	0.3
126.84717	0.3
149.02312	13.5
151.90150	0.3
152.17439	0.3
166.08603	9.4
167.03288	0.3
190.08569	0.4
190.31708	0.4
233.16473	1.1
260.88446	0.3
279.12363	0.5
279.16980	7.9
279.72507	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44477	0.3
55.01853	0.3
55.05487	0.4
56.05033	0.4
57.05788	0.4
57.07064	7.5
67.05495	0.7
68.52502	0.3
69.03408	0.4
69.07055	11.6
69.62675	0.6
69.63089	1.9
69.72321	0.3
70.06582	1.0
72.08160	0.5
79.05495	0.5
81.03416	0.5
81.07036	0.8
83.04961	0.3
84.08121	1.0
85.02882	0.6
86.09690	100.0
87.10017	1.2
91.05466	1.2
92.43176	0.3
93.03429	0.4
93.07014	0.7
95.04967	0.5
95.08598	0.5
96.12385	0.3
97.02889	0.4
103.05463	0.6
105.07006	1.0
107.04950	0.4
107.08600	0.3
109.02850	0.4
109.10114	0.5
110.06001	0.8
113.46220	0.3
113.78502	0.3
119.08550	0.4
120.08079	10.9
121.02852	2.3
124.07582	0.7
125.08331	0.8
131.04889	0.4
131.08539	1.3
133.10187	0.5
145.06508	0.4
145.10107	0.4
147.04433	0.7
149.02313	53.2
150.02660	1.1
159.08002	1.7
161.09596	0.5
166.08601	5.6
167.03326	1.0
173.05891	0.6
173.09531	0.3
177.05441	0.4
187.07507	0.4
205.08574	0.9
216.10176	0.4
233.16423	0.8
243.10013	0.5
261.12045	0.4
272.46521	0.3
279.12448	2.1
279.16949	6.2
280.17081	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1369
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.7
55.05502	32.7
57.07060	2.4
57.98779	0.6
58.99574	11.9
61.01116	0.6
67.81366	0.5
69.37259	1.5
69.37685	3.4
73.01117	1.6
74.24421	0.5
76.02212	5.7
76.03992	3.5
81.07034	1.2
83.08604	29.7
86.99037	11.7
88.02204	3.5
91.05451	1.3
95.08592	0.5
97.80691	0.5
101.09633	1.3
107.08615	0.7
115.05626	0.6
116.01658	51.5
119.04902	0.7
121.02840	1.7
123.04385	0.9
126.09127	1.2
129.07257	0.7
131.68121	0.4
144.01114	23.3
145.06473	2.3
147.04390	2.9
149.02315	23.5
159.08348	8.6
162.02174	100.0
163.02492	0.7
165.05455	0.6
167.03397	0.6
173.05977	1.9
176.10686	3.2
177.05405	0.8
179.04974	0.6
182.97406	0.6
187.07477	0.5
189.05417	0.9
215.06950	1.1
219.06418	1.3
233.07869	1.0
244.09995	1.1
248.39453	0.5
252.89412	0.5
261.07571	0.7
262.11032	33.6
263.11432	0.6
279.08536	1.0
279.13693	4.9
279.16968	2.4
292.07578	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.1
55.01852	3.9
55.05490	1.3
56.04995	1.0
57.03411	1.8
57.07066	14.1
61.02906	1.1
65.03911	1.3
67.05482	1.3
69.03410	1.3
69.95939	3.7
69.96352	1.7
70.06582	1.8
72.08141	2.6
73.02884	3.2
81.07037	2.1
84.08130	1.8
85.02878	2.7
86.09694	1.3
88.73247	1.0
91.05459	7.3
95.01237	1.0
95.04937	4.3
95.08564	1.2
97.02885	1.6
97.88367	0.9
103.03922	7.8
103.05444	3.0
105.07008	3.3
107.04915	3.8
113.02380	1.8
115.05472	3.2
117.06996	6.0
119.04922	16.9
120.08034	1.2
121.02871	6.4
121.06467	1.5
123.04410	21.2
131.04903	10.9
131.08539	1.9
133.06456	11.8
141.07001	4.0
144.05659	2.3
145.06459	44.7
147.04381	71.1
147.07986	3.0
149.02313	100.0
149.05943	4.1
155.06003	3.2
157.06480	9.0
159.04407	5.5
159.08026	6.1
159.09186	1.1
161.05952	14.8
163.03864	2.6
163.07477	1.6
165.05441	7.6
167.03410	1.9
169.06448	7.0
171.04390	9.4
171.08051	5.1
173.05942	36.4
175.03874	9.5
175.07495	5.0
177.05457	9.8
181.06476	2.1
185.05946	9.5
187.07530	8.2
189.05429	12.3
191.06995	6.1
192.94724	1.1
193.04892	1.1
197.05945	16.3
199.07481	6.5
201.05463	13.0
205.08554	3.4
213.05453	1.4
215.06995	24.2
217.04886	2.2
219.06479	28.5
231.06506	2.8
233.07999	17.9
243.06549	9.7
243.10098	1.1
261.07544	11.6
261.11676	1.2
279.08609	15.0
279.12744	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2157
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
53.03922	5.2
53.16219	1.1
55.05502	14.5
57.01922	1.2
57.07050	2.4
65.03900	1.1
67.05490	30.9
68.11590	1.0
69.07056	15.2
69.21445	11.4
71.04964	1.6
77.03899	1.7
79.05478	65.7
80.05852	1.0
81.06583	2.4
81.07039	32.2
82.75194	1.0
83.04977	1.6
83.08604	6.0
85.74517	1.1
91.05463	23.2
93.07025	100.0
93.54738	1.2
95.04941	6.7
95.08589	22.0
97.06464	1.9
97.10137	4.4
97.78944	1.1
105.07001	13.1
107.08572	50.4
109.06493	2.6
109.10131	14.1
117.07002	3.3
118.17332	1.2
119.08566	9.2
121.10119	44.1
122.10472	1.2
123.11678	3.0
125.09570	1.4
131.08585	1.9
133.10101	12.9
135.11664	57.4
136.11861	1.2
143.08504	1.3
145.10101	2.3
147.11652	4.7
149.09686	1.2
149.12056	1.5
149.13235	22.6
157.10114	1.4
159.11703	2.6
161.13174	4.2
163.14798	4.4
171.11665	2.4
173.13251	2.5
177.12781	1.4
181.12263	1.4
185.13264	1.6
193.12225	1.4
195.13795	2.8
199.14815	1.5
213.16397	2.1
221.15399	3.2
235.16890	4.4
241.19388	1.5
258.37283	1.2
259.20596	4.5
277.21570	82.8
278.21985	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	279.086
Annotation	Alternarienonic acid
Peak:m/z	Relative Intensity
50.58283	0.6
55.01842	1.5
57.06819	0.9
57.07067	12.8
61.02916	0.7
65.03908	0.8
67.05476	1.8
69.84361	2.2
69.84768	0.9
70.02898	0.6
70.06575	1.2
72.08122	1.9
73.02895	1.6
73.70243	0.6
74.00665	0.7
79.05508	0.8
81.07037	1.4
84.08133	1.5
85.02878	0.9
86.09683	2.3
86.10635	0.5
88.03963	0.8
91.05451	2.1
93.07023	0.6
95.01250	0.7
95.04951	1.4
95.08585	0.9
97.02855	0.7
103.03922	0.8
103.05416	1.5
105.03367	3.8
105.07005	2.2
109.10092	0.7
110.07136	0.7
115.03888	0.9
115.05431	2.9
117.06998	6.1
119.04926	9.0
119.08583	1.2
120.01112	0.7
120.29031	0.6
121.02841	5.5
121.03640	0.8
121.06466	0.6
123.04410	8.0
128.06186	1.1
129.06992	0.9
131.04906	7.4
131.08546	1.6
132.05649	0.7
133.02821	0.9
133.06468	8.5
141.06923	2.9
142.22450	0.5
143.04930	0.8
143.08475	0.9
144.05708	2.1
145.06459	38.5
147.04385	38.4
147.05621	0.7
147.08035	2.5
149.02313	100.0
149.05898	1.5
153.06967	1.2
155.03444	0.6
155.06018	2.7
157.06445	8.1
159.04413	3.2
159.08034	5.3
160.05188	1.2
161.02333	1.0
161.05949	12.0
163.03960	2.7
163.07513	0.8
165.05435	2.9
167.03358	2.1
169.06462	4.6
171.04384	7.1
171.05698	1.0
171.08006	4.5
173.05951	29.0
175.03862	3.7
175.07468	5.2
177.05449	4.1
179.07140	0.7
181.06474	1.5
184.05103	0.9
185.05946	10.0
187.03868	0.6
187.07495	5.4
189.05435	11.0
189.09087	0.7
191.06931	5.5
197.05948	12.0
199.07507	6.2
201.05424	13.5
203.06963	1.3
205.04959	0.9
205.08482	3.6
207.06396	1.4
215.06984	17.6
217.04900	2.0
217.08630	0.9
219.06494	24.6
231.06482	1.7
233.08025	20.6
243.06474	5.7
251.09085	1.5
261.07489	7.1
261.11755	0.6
279.08627	13.4
279.12408	4.9
279.16577	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2158
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
51.02362	1.1
53.03938	5.1
55.01873	1.0
55.05499	16.4
57.07055	3.4
65.03921	1.5
67.05491	29.8
69.07058	15.0
69.80267	5.1
71.04956	2.0
73.06567	0.9
74.65993	0.9
77.03925	1.2
77.57803	0.8
79.05477	74.4
81.07040	34.7
83.04950	1.7
83.08607	7.0
85.06522	2.1
85.78829	0.7
91.04884	1.6
91.05462	27.9
93.07024	100.0
94.07349	1.0
95.04948	6.8
95.08590	23.2
97.06531	1.8
97.10166	4.3
98.21488	1.4
101.05985	1.0
105.04484	1.0
105.07011	11.0
107.08574	46.4
109.06479	1.4
109.10134	12.4
117.06999	3.3
119.08551	12.5
121.06475	1.1
121.10123	42.6
123.08051	0.9
123.11674	3.0
125.09614	0.9
129.06969	2.2
131.08542	3.4
133.10095	13.7
135.08112	1.0
135.11664	49.0
143.08511	2.0
145.10088	3.0
147.11655	6.9
149.09595	1.3
149.13226	21.0
157.10089	1.7
159.11688	2.5
161.13184	4.8
163.11174	1.4
163.14746	5.2
168.58911	0.9
171.11623	2.3
173.13235	1.3
175.11127	1.4
175.14793	2.4
177.12634	1.0
177.16301	1.2
181.12157	1.7
185.13251	3.4
185.47208	0.8
189.12665	1.1
195.13857	1.5
199.14818	1.7
207.13786	2.3
213.16367	1.6
221.15341	2.9
231.17392	1.5
235.16882	4.3
241.19495	2.5
259.20486	3.9
277.21567	71.5
278.21930	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	277.1429
Annotation	Pestalotheol D
Peak:m/z	Relative Intensity
51.02361	0.3
53.03931	0.6
53.61794	0.3
55.01847	0.3
55.05501	8.9
57.03411	0.3
57.07065	18.5
65.03922	1.2
67.05489	0.7
69.03419	2.4
69.07074	0.4
71.04986	0.8
71.51942	0.6
72.08137	0.4
79.05472	1.2
81.03399	0.4
81.07039	1.4
83.04972	2.6
85.02892	0.7
91.05459	1.8
93.03420	0.3
93.07026	2.8
95.04950	1.1
95.08604	1.5
95.21178	0.3
97.02863	0.4
99.04448	0.6
103.05431	2.7
105.07005	0.9
107.08567	1.2
109.06488	0.4
109.10131	0.7
111.04415	1.9
117.06934	0.3
119.08571	1.9
121.02854	3.7
121.06459	0.4
121.10077	1.8
123.07991	0.5
124.64971	0.3
128.06229	0.4
129.05496	0.4
129.06992	1.5
131.04912	8.3
131.08528	1.5
133.06412	0.4
133.10123	0.6
135.11658	0.5
137.05957	0.4
143.04871	0.6
143.08546	0.4
145.06476	0.4
145.10091	0.7
147.07993	0.8
149.02312	100.0
149.09645	0.5
149.13246	0.4
150.02696	1.0
157.06435	0.4
161.05945	2.5
161.13297	0.3
167.03343	1.9
173.09544	0.5
175.07516	8.3
182.14528	0.3
185.05991	0.4
185.13284	0.4
190.04942	0.9
203.07004	10.1
203.10757	0.4
205.08554	1.0
206.15472	0.4
221.08040	1.5
234.07162	0.4
259.12973	0.4
277.10907	0.5
277.14297	6.5
277.17792	0.6
277.21631	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0316
Annotation	Unknow
Peak:m/z	Relative Intensity
69.84219	39.4
84.08123	24.6
84.86739	9.0
97.05989	8.4
101.00813	9.6
104.10711	23.5
119.01884	18.4
130.08629	28.9
131.01872	9.2
160.02185	8.9
161.02985	25.2
175.04475	11.4
178.83546	9.7
228.06561	9.2
242.79581	8.6
277.03152	100.0
277.07159	43.1
295.08798	52.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.4
55.01854	0.5
55.05233	0.4
55.05500	10.9
57.07064	18.1
65.03926	0.8
67.05485	0.9
69.03075	0.3
69.03416	3.9
69.07041	0.8
69.24783	0.5
69.25200	1.6
70.70765	0.2
71.01325	0.3
71.04968	0.5
71.08612	0.6
72.22285	0.2
79.05467	1.4
81.03388	0.2
81.07037	1.4
83.04964	2.4
83.08591	0.3
85.02882	1.2
87.04442	0.2
91.05475	2.1
93.03371	0.4
93.07019	2.2
95.04929	0.5
95.08588	1.1
95.09106	0.2
97.06516	0.3
98.21537	0.4
99.04431	0.5
99.08096	0.3
101.49739	0.2
103.05447	3.0
105.07004	0.7
107.04907	0.2
107.08576	1.2
109.06561	0.2
109.10118	0.7
111.04436	2.0
117.06964	0.3
119.08548	1.1
121.02840	4.1
121.03793	0.3
121.06461	0.3
121.10130	1.2
128.06163	0.2
129.05450	0.9
129.06985	1.1
131.04906	9.8
131.08545	0.9
133.10120	0.4
133.81451	0.2
135.11667	0.6
143.04898	0.5
143.08492	0.3
147.07986	0.2
147.11629	0.4
149.02310	100.0
149.13245	0.3
150.02705	1.5
150.11284	0.2
151.11142	0.4
157.06474	0.2
157.10072	0.3
161.05949	1.7
161.13220	0.2
163.11105	0.3
165.12798	0.2
167.03358	1.3
171.11584	0.3
175.07507	7.9
176.07796	0.3
190.04994	0.4
198.45352	0.2
203.06993	10.8
204.07242	0.2
205.08578	1.1
221.08067	0.9
241.19351	0.2
241.86847	0.2
259.20508	0.4
277.10834	0.7
277.14273	5.3
277.21567	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	275.2729
Annotation	Kaurane
Peak:m/z	Relative Intensity
50.01142	0.9
53.03916	1.4
55.05500	13.6
57.07072	9.9
66.20067	1.0
67.05492	25.5
69.07059	25.4
70.06575	1.7
70.48884	3.7
71.08608	5.9
79.05477	9.4
81.07041	100.0
83.04953	1.1
83.08614	11.6
85.10148	2.8
91.05457	3.5
93.07025	12.1
95.08591	74.1
96.08937	1.4
97.10147	8.2
105.07014	3.5
107.08576	17.6
109.06493	1.3
109.10139	46.8
111.11710	11.6
117.07009	1.1
119.08565	2.1
121.10114	9.9
123.11681	21.1
125.13246	1.8
131.08495	1.4
133.10112	2.6
135.11664	10.8
137.13242	9.2
145.10155	1.1
149.13232	9.3
151.14786	6.2
163.14754	4.6
165.16396	2.5
177.16364	1.8
191.17880	1.1
205.19560	1.4
219.21056	2.4
228.09500	1.1
257.11731	1.4
259.94000	1.1
262.89993	1.2
275.04935	4.2
275.20056	3.6
275.27325	54.5
276.27585	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2001
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03920	2.3
55.01873	3.7
55.05499	10.4
57.03409	2.4
57.07048	2.2
65.03928	1.8
67.05494	18.9
69.03409	1.3
69.07054	12.0
70.06579	1.6
71.04962	2.0
71.53621	1.1
79.05478	28.2
81.03391	1.8
81.07040	49.3
83.04981	4.8
83.08601	7.3
85.06499	1.6
86.75720	0.8
91.05470	25.6
93.07030	24.0
95.04969	5.2
95.08595	18.4
97.06522	4.4
97.10125	2.1
105.07013	33.0
107.04934	14.4
107.08570	15.1
107.83688	0.7
109.06496	16.1
109.10141	6.2
111.08056	2.3
117.06972	7.3
119.08559	24.5
121.06453	4.0
121.10126	10.7
123.08038	3.5
123.11652	2.8
125.09614	1.5
129.06964	2.6
130.07771	1.3
131.08546	12.5
133.06384	1.2
133.10100	24.1
135.08041	9.5
135.11658	3.4
137.09584	1.8
143.08543	1.1
145.06427	1.0
145.10094	9.6
147.07980	1.7
147.11670	11.6
149.09615	6.8
149.13210	3.3
151.11160	1.9
157.10069	1.8
159.08005	1.1
159.11678	6.8
161.09578	1.5
161.13199	3.7
163.11145	3.7
163.14685	1.4
165.12674	1.1
169.10051	1.1
171.11707	2.3
173.09569	0.9
173.13232	3.4
175.11142	1.7
175.14799	2.2
177.12714	1.9
183.11714	1.6
185.13261	0.9
187.11165	0.8
187.14859	1.2
191.14217	1.3
193.12292	1.0
197.13129	1.9
199.14781	0.9
201.12811	1.0
201.16382	1.4
207.13744	0.8
219.17299	1.1
221.60777	0.8
226.07451	0.9
229.19505	2.6
233.18936	1.0
239.17900	3.6
247.20569	3.8
257.11716	2.0
257.19019	7.2
269.93591	0.8
270.58527	0.8
275.05057	1.9
275.20026	100.0
275.27722	8.4
276.20361	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	275.2001
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03923	1.9
54.25227	0.4
55.01865	7.3
55.05504	13.6
57.03421	0.8
57.07064	1.0
58.92408	0.5
59.04985	0.8
65.03913	1.5
67.05127	1.0
67.05493	20.0
69.03408	1.4
69.07056	10.8
70.06576	0.8
71.04974	1.6
73.06536	0.8
76.05482	0.5
79.05479	22.0
81.03408	2.0
81.07043	26.7
81.07526	1.3
83.04944	3.0
83.08609	4.9
85.06528	1.1
91.05463	37.0
93.07031	17.7
95.01315	1.3
95.04947	3.9
95.08589	14.2
97.06516	13.3
97.10155	2.7
98.21548	1.0
99.08090	0.8
103.05490	1.4
105.07013	63.8
106.07328	1.1
107.04942	10.5
107.08571	15.0
109.06499	2.1
109.10139	8.5
111.08070	1.4
115.05407	0.7
117.07001	9.8
119.08563	31.6
119.74392	0.5
121.06490	2.2
121.10120	7.0
123.04417	0.8
123.08036	2.2
123.11692	2.2
125.09611	2.6
129.06990	1.8
131.08562	13.9
133.06483	1.0
133.10109	36.7
134.10429	1.1
135.08017	3.2
135.11681	3.1
137.09586	1.7
137.13237	0.7
139.07520	0.8
143.08563	1.9
145.09116	0.4
145.10101	10.6
147.08049	1.1
147.11659	16.6
149.08397	1.0
149.09596	15.9
149.13245	1.8
151.11142	1.6
153.09070	1.2
155.08524	1.3
157.10161	2.7
159.11665	8.4
161.09573	0.7
161.13269	4.1
163.11180	2.4
165.09039	1.2
165.12810	0.5
169.10060	1.1
171.11679	2.5
173.11830	1.0
173.13237	3.2
175.11124	0.7
175.14836	0.8
177.12735	2.0
179.14328	1.7
183.11720	1.2
187.11206	1.6
187.14813	0.7
191.10728	0.6
197.13283	1.6
201.12776	0.9
213.16391	0.6
215.17964	0.9
229.19463	2.9
233.15289	1.1
239.17984	2.9
247.20528	2.5
257.18967	9.6
275.20020	100.0
275.27649	3.4
276.20389	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	275.2
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.2
55.01857	1.4
55.05503	15.1
57.03405	0.7
57.07051	1.6
58.07408	0.7
59.04979	1.0
65.03922	0.8
67.05492	15.6
69.03419	0.9
69.07053	10.0
69.88921	3.1
69.89333	1.2
70.06587	3.1
71.04975	1.7
71.06892	0.6
79.05477	13.5
81.03372	0.6
81.07043	16.7
83.04948	1.8
83.08598	5.4
85.06508	1.8
88.07605	2.1
89.07946	0.9
91.05466	44.8
93.06466	1.1
93.07028	15.6
95.04945	2.4
95.08589	13.1
97.06487	1.7
97.10158	3.2
98.21455	1.0
101.06049	0.7
102.09126	0.9
103.05441	2.0
105.07011	58.7
106.07339	1.5
106.08655	1.0
107.04925	1.9
107.08569	11.8
109.06470	1.6
109.10133	4.5
111.08076	1.0
115.05424	0.9
117.06994	11.0
119.08561	35.0
121.06499	2.9
121.10124	6.0
123.08031	1.5
125.09581	0.9
128.06177	0.8
129.06981	2.5
130.07788	1.0
131.08548	16.6
132.09262	0.6
133.06435	1.1
133.10106	44.1
134.10423	1.2
135.08002	1.9
135.11655	3.1
137.09564	1.8
141.06949	1.3
143.08513	4.1
145.10095	16.7
145.22423	0.6
147.07967	1.0
147.11659	21.1
149.09586	5.3
149.13161	0.7
155.08495	1.4
157.10098	3.4
159.08011	0.8
159.11656	9.7
161.05934	0.8
161.09613	1.2
161.13199	5.0
163.11151	2.2
169.10071	1.4
171.11598	3.9
173.13213	4.9
175.11151	1.7
177.12711	1.2
181.12151	1.2
183.11653	2.6
185.13257	0.8
189.12744	0.8
197.13240	2.6
201.12619	0.9
205.12172	1.0
211.14688	0.8
215.14253	0.7
229.19423	1.0
233.15448	0.8
239.17905	5.8
247.20580	0.8
257.11606	1.2
257.18951	9.8
257.26617	1.5
275.04800	1.8
275.20016	100.0
275.27707	26.4
276.20389	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2
Annotation	Dicranin
Peak:m/z	Relative Intensity
51.02356	0.5
53.03938	1.9
53.48405	0.5
55.01862	5.1
55.05499	12.2
57.03427	2.7
57.07066	1.4
65.03928	1.3
67.05492	26.3
69.03416	1.3
69.07056	10.1
69.07422	1.0
69.35516	4.8
70.06576	0.9
71.04968	2.5
74.09679	0.5
74.78451	0.5
79.05479	26.8
80.05801	0.8
81.03410	2.7
81.07039	68.3
83.04965	4.3
83.08607	5.9
85.06544	1.5
88.07628	0.8
91.05461	28.9
92.05790	0.5
93.07025	22.3
94.07368	0.5
95.04952	7.6
95.08588	16.9
97.06508	4.6
97.10153	1.7
98.02413	0.7
99.04433	0.6
99.08086	1.3
99.79691	0.5
103.05425	1.0
105.07010	34.3
106.07312	0.8
106.59988	0.5
107.04932	10.2
107.08566	15.5
109.06494	28.6
109.10132	6.8
111.08037	1.8
115.05458	0.7
117.06998	7.5
119.08558	26.5
120.08935	0.6
121.06498	6.8
121.10121	10.9
123.08040	5.1
123.11688	3.2
125.09600	1.5
129.06979	1.8
131.08531	12.5
133.06485	2.0
133.10101	22.9
135.08018	8.5
135.11678	5.7
137.09604	3.3
139.11179	1.0
141.06972	0.6
142.07771	0.7
143.08548	1.8
145.06442	0.7
145.10080	11.7
147.08020	2.0
147.11653	15.1
149.09576	7.2
149.13213	5.1
151.07495	1.0
151.11139	3.7
155.08534	1.2
157.10074	3.1
159.08054	1.1
159.11659	7.7
161.09546	3.2
161.13246	5.0
163.11165	4.8
163.14789	2.3
165.09076	0.7
165.12703	2.5
169.10103	1.7
171.11623	2.6
173.09575	0.9
173.13220	5.5
175.11183	3.0
175.14763	1.4
177.12746	1.9
179.14188	0.9
183.11708	2.4
185.13257	1.4
187.11180	1.3
187.14784	1.8
191.14139	0.8
193.12238	3.3
193.15814	0.7
197.13197	1.8
201.12680	1.9
201.16429	0.7
203.14220	1.0
205.15755	0.7
213.16525	0.6
215.14224	0.8
215.17934	0.9
219.13734	0.7
219.17235	0.6
229.19414	3.4
229.38667	0.5
233.18936	0.8
239.17886	4.7
240.17847	0.6
240.91647	0.5
247.20532	5.1
248.20987	0.6
257.11801	0.5
257.16284	0.7
257.18964	10.1
258.19083	0.7
275.20004	100.0
275.27664	8.0
276.20407	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	275.2
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
52.36219	0.6
53.03938	1.2
55.01854	1.6
55.05260	0.7
55.05502	10.2
57.03421	0.6
57.07048	1.6
65.03911	1.1
67.05167	0.8
67.05495	11.4
69.03413	0.9
69.06713	0.6
69.07050	6.4
70.06563	1.7
70.61083	1.4
71.04964	1.2
79.05048	1.0
79.05477	11.8
81.03405	0.9
81.06576	0.8
81.07043	14.2
82.42522	0.5
83.04952	1.2
83.08615	3.8
85.06516	1.2
88.07587	1.8
89.07946	0.7
91.05463	32.3
92.05804	0.7
93.06467	0.8
93.07030	13.4
95.04949	2.6
95.08585	9.0
97.06498	1.6
97.10116	2.1
97.10678	0.6
103.05434	1.1
105.07011	50.6
107.04919	2.1
107.08562	10.4
109.06440	1.2
109.10128	3.7
117.06985	8.0
119.08559	26.9
121.00414	0.6
121.06470	2.0
121.10134	4.4
123.08025	1.3
123.11712	0.9
125.09622	1.3
127.07563	0.7
129.06982	1.8
131.08522	10.8
133.10103	35.9
134.10477	0.9
135.08012	1.7
135.11658	2.5
137.09552	1.1
141.06862	0.6
143.08525	1.5
145.10091	12.3
147.08020	0.8
147.10501	1.3
147.11659	19.6
149.09532	3.8
149.13141	0.6
151.11115	0.6
155.08525	1.2
157.10085	2.3
159.11662	6.0
161.13240	3.8
163.11133	2.2
169.09984	0.7
171.11676	3.4
173.13284	3.0
175.11147	1.0
177.00255	0.9
183.11659	2.3
185.13251	0.6
187.11029	0.9
191.14238	0.7
197.13208	2.5
217.02608	1.5
229.15865	0.9
229.19490	1.8
233.15196	0.7
239.17886	2.8
247.20558	1.0
252.04695	0.8
257.18961	9.7
257.26544	1.0
262.46481	0.6
275.20007	100.0
275.27679	19.0
276.20471	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	275.2001
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03934	1.2
55.01863	2.3
55.05500	11.3
57.03419	0.9
57.07059	1.4
60.00587	0.4
61.85163	0.3
65.03921	1.2
67.05492	16.9
69.03413	1.1
69.07053	8.1
70.52888	1.0
71.04974	2.0
71.08623	0.3
73.06547	0.3
79.05476	16.3
80.05810	0.5
80.06266	0.4
81.03393	1.0
81.07038	19.2
83.04958	2.6
83.08607	4.2
84.08109	0.3
85.02892	0.5
85.06521	1.3
86.13142	0.3
90.79640	0.3
91.05460	32.0
92.05782	0.3
93.07024	15.7
95.04941	3.5
95.08585	21.8
96.08871	0.5
97.06510	2.7
97.10148	1.9
98.21410	0.3
99.04426	0.5
99.08071	0.4
101.05981	0.3
102.29228	0.3
103.05438	1.5
105.07008	41.9
106.07321	0.9
107.04939	3.6
107.08570	13.4
109.06484	4.2
109.10131	5.2
111.04425	0.6
111.08057	1.2
113.05972	0.5
115.05408	0.5
117.06993	6.7
118.07780	0.4
119.04909	3.1
119.08556	26.6
121.06486	3.1
121.10119	6.1
123.04484	0.3
123.08037	2.2
123.11691	1.6
125.09599	1.3
127.07527	0.6
128.06146	0.5
129.07007	2.0
130.07774	0.7
131.04880	1.1
131.08536	11.8
132.09337	0.6
133.06474	1.0
133.10101	29.1
134.10391	0.6
135.08003	2.7
135.11662	3.6
137.09595	2.3
139.11137	0.6
141.06947	0.9
143.08521	2.7
145.06487	0.7
145.10091	10.7
146.10822	0.5
147.04373	12.1
147.08023	1.3
147.11653	16.2
148.04710	0.5
149.09584	6.0
149.13208	1.4
151.07489	0.3
151.11154	2.8
155.08522	1.5
157.10068	2.5
159.08031	0.7
159.11646	7.2
161.09573	1.3
161.13200	4.2
163.11128	3.7
163.14774	0.7
165.09085	0.9
165.12721	1.2
167.10541	0.4
169.10089	1.9
171.11673	2.2
173.09604	0.8
173.13205	4.6
175.07487	0.3
175.11169	1.3
175.14729	0.8
177.12726	1.7
179.14220	0.6
183.11650	1.8
185.13216	0.5
187.11153	0.9
187.14790	1.0
189.12686	1.2
191.14255	0.9
193.12196	0.8
197.13211	2.2
199.14766	0.4
201.12672	1.1
201.16336	0.4
205.12190	1.0
207.13786	0.3
211.14810	0.7
213.16333	0.5
215.14178	0.8
215.17836	0.9
219.13692	1.5
229.12218	0.6
229.15819	0.5
229.19499	3.0
231.52132	0.3
233.15317	0.8
233.18962	0.6
239.17876	6.1
247.16780	0.4
247.20520	2.2
257.11838	0.6
257.18939	9.9
275.19995	100.0
276.10544	0.4
276.20343	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	275.2001
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03936	0.7
55.01851	2.2
55.05234	0.6
55.05498	10.9
57.03408	0.7
57.07051	1.8
59.04997	0.5
65.03912	0.7
67.05489	12.7
69.03408	0.7
69.07049	8.1
69.77938	3.1
70.06571	1.9
71.04958	1.4
71.06905	0.6
71.08582	0.5
71.24673	0.4
77.03908	0.5
79.05474	12.1
80.15096	0.4
81.07032	15.5
83.04948	1.8
83.08601	4.7
85.06519	1.4
88.07613	2.8
89.07913	0.9
91.05460	34.6
93.07024	14.3
95.04939	2.1
95.08583	9.3
97.06480	1.7
97.10131	1.6
102.09142	0.9
103.05429	1.4
105.07009	53.3
106.07311	1.0
106.08635	1.2
107.04926	1.7
107.07870	0.9
107.08560	11.9
109.06492	2.1
109.10132	4.4
111.08049	0.7
115.05447	0.9
117.07001	7.5
119.08553	27.2
120.08864	0.7
121.00462	1.1
121.06459	2.5
121.10110	4.6
123.08050	0.8
123.11711	0.6
125.09572	0.9
129.06966	2.6
131.08530	12.0
131.09512	0.6
131.12657	0.5
132.09268	0.7
133.10097	33.3
134.10451	0.8
135.08017	1.9
135.11655	2.4
137.09554	0.8
141.06972	0.7
143.08549	2.2
145.10092	13.8
146.10851	0.6
147.08020	0.8
147.11656	17.9
148.12015	0.5
149.09596	3.7
149.13232	0.8
151.11105	0.7
155.08528	1.0
157.10175	2.3
159.08017	0.6
159.11658	7.8
161.09605	1.3
161.13229	4.4
163.11153	2.5
169.10072	1.4
171.11632	2.6
173.13193	2.8
175.11163	1.1
175.14798	0.5
177.12704	1.3
181.12186	0.6
183.11632	2.6
185.13152	0.8
187.11130	0.9
187.14790	0.7
189.12721	0.6
193.12146	0.5
197.13194	2.2
201.12625	0.9
201.16277	0.5
203.14235	0.7
211.14693	0.8
215.14224	0.8
215.17778	0.6
217.02524	0.7
219.13734	0.9
229.15823	0.7
229.19415	1.8
239.17903	3.4
247.20575	1.2
252.04662	0.5
257.18930	9.1
257.26456	1.3
275.19998	100.0
275.27664	27.6
276.20212	3.4
289.43896	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0908
Annotation	Phloretin
Peak:m/z	Relative Intensity
53.03929	0.3
55.01863	0.2
55.05497	0.4
56.01561	0.1
58.43000	0.2
65.37043	0.2
67.01855	0.2
67.05492	0.4
69.07050	0.2
70.06575	0.1
70.11378	0.4
70.11792	0.3
77.03912	0.2
78.18671	0.2
79.05472	0.8
81.07039	0.7
83.04958	0.4
83.08619	0.2
85.02898	0.3
86.09681	0.2
90.70708	0.2
91.05451	0.4
93.07040	0.6
95.04957	1.0
95.08582	0.8
105.07015	0.6
107.04939	100.0
108.05264	0.9
109.10143	0.5
119.08571	0.4
121.06471	0.4
121.10126	0.5
123.04418	0.5
123.11692	0.2
127.03880	1.0
131.08554	0.2
133.10123	0.5
135.11650	0.3
137.09595	0.2
145.10074	0.3
149.05956	1.5
149.09642	0.2
149.13365	0.2
151.03857	1.4
157.10065	0.2
159.07950	0.2
159.11690	0.2
169.04935	11.0
170.05219	0.2
181.05042	0.2
189.16290	0.2
257.11926	0.2
257.22592	0.2
275.09103	4.3
275.13507	0.5
275.16925	0.4
275.20071	1.0
275.23669	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	2.4
56.05015	1.8
56.96534	2.4
57.03418	1.3
57.34926	1.0
58.06575	1.6
58.99847	3.0
60.05628	1.8
61.01128	2.6
67.44736	0.9
69.03409	1.9
70.06582	11.2
70.65717	1.1
70.99831	3.0
71.04961	1.6
71.30174	2.0
72.08147	13.8
73.02912	1.4
74.06057	1.6
77.00899	8.0
81.03378	1.1
81.89703	1.1
82.01448	1.7
82.06589	1.3
82.99833	4.1
84.04465	2.9
84.08128	9.8
85.02882	5.7
86.09686	5.1
88.03966	2.5
89.00881	3.6
95.01909	2.9
95.06081	1.7
96.08092	1.3
97.02877	1.8
98.62512	1.0
98.97557	1.5
100.02445	3.3
100.07615	5.8
101.00866	39.3
103.02425	2.3
107.01933	1.2
107.04927	1.4
110.06004	3.2
110.07144	7.6
113.00837	2.4
115.02414	7.9
116.07070	1.8
118.03458	2.0
119.01904	100.0
120.01977	1.8
121.61533	1.1
123.04456	1.2
124.02456	14.7
127.02361	2.3
127.03876	1.6
129.10239	1.9
130.08589	2.0
131.01891	9.3
133.03445	6.5
135.01390	3.5
137.02936	14.6
138.04024	2.1
142.03479	68.6
143.01877	67.8
144.01962	2.5
145.03490	9.5
147.01292	1.8
147.04240	1.3
150.03979	1.6
152.07028	1.7
153.02451	2.6
154.03459	3.4
156.07664	1.7
157.03415	3.2
158.09215	1.5
159.01358	9.6
160.04512	6.8
161.02933	96.5
162.03096	1.5
163.04515	1.5
165.05141	1.7
168.05043	8.7
169.03824	1.1
170.02930	1.7
171.01207	1.4
171.14841	1.9
175.00841	4.3
175.04529	2.6
175.11885	4.0
177.02409	20.7
179.04016	1.4
182.02924	10.3
184.04523	7.3
186.09850	1.2
187.00861	6.8
187.02365	1.0
187.04398	1.3
189.02310	1.5
191.00304	8.9
200.04022	17.7
203.03914	1.3
205.01907	9.8
205.03810	2.7
209.01433	1.8
210.02461	3.4
215.00339	2.4
215.13930	1.9
218.05034	1.4
228.03532	9.8
228.13412	3.3
232.10350	3.1
233.01428	5.1
233.03336	2.2
246.04587	3.5
246.13382	1.5
251.02403	4.7
256.02988	36.4
256.11829	3.9
269.03372	2.2
274.04022	51.6
274.09155	2.4
274.12805	16.5
274.18723	12.5
274.21307	1.8
274.27390	1.6
279.04544	2.4
292.05020	7.6
297.05670	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	274.118
Annotation	metazachlor OXA
Peak:m/z	Relative Intensity
56.05014	0.4
68.05012	0.5
71.04745	0.3
71.05099	0.7
74.61190	0.3
82.05338	0.4
83.06091	4.5
91.04896	0.8
91.05468	15.4
93.04525	3.1
95.06086	3.9
110.07148	100.0
111.07475	0.3
134.60608	0.3
138.06631	0.6
156.07664	30.9
157.08002	0.5
184.30862	0.3
192.47168	0.4
228.11279	15.0
256.10770	3.2
261.23758	0.3
264.65814	0.3
274.11816	28.9
275.12158	0.6
280.49524	0.3
286.77185	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2571
Annotation	Trixagoene
Peak:m/z	Relative Intensity
53.03921	1.6
55.05495	14.7
57.07074	6.8
57.52207	1.1
65.03913	1.3
67.05164	1.6
67.05497	22.1
69.07056	35.9
70.04868	3.2
70.05276	2.7
70.06567	3.9
71.08603	1.6
72.36921	1.2
79.05476	12.2
81.07041	63.1
83.08603	15.8
86.69569	1.1
91.05458	10.7
93.07024	28.6
95.08588	69.0
97.10158	7.7
105.07014	21.0
107.08575	47.9
109.06461	1.5
109.10133	48.3
111.11687	3.8
119.08559	20.9
121.10126	43.6
123.11679	47.1
133.10112	14.2
135.11670	27.3
137.13235	10.9
145.10100	1.2
147.04401	2.3
147.11671	17.5
149.12041	2.4
149.13226	49.7
151.14822	7.2
153.01768	2.9
159.11591	1.1
160.79962	1.2
161.13231	25.3
163.14784	28.1
165.16324	3.3
175.14795	12.7
177.16357	16.7
189.16351	20.4
191.17918	9.7
203.17923	14.6
217.19478	28.3
217.21556	1.7
231.21106	2.4
273.07544	2.0
273.25723	100.0
274.17953	4.1
274.27371	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2208
Annotation	androstenone
Peak:m/z	Relative Intensity
55.05500	6.8
57.07044	1.1
60.78879	0.8
64.74950	0.9
67.05495	7.1
69.07062	5.4
69.54429	1.9
69.54829	5.5
71.04987	10.7
78.40188	0.9
79.05469	4.9
79.24721	0.9
81.07044	30.1
83.08599	3.2
83.42520	0.9
84.54564	0.9
85.06508	2.2
91.05473	7.5
93.07024	16.9
95.04949	2.5
95.08590	20.5
97.06525	2.3
97.10152	2.5
97.67213	0.8
105.07014	30.6
107.08585	20.2
109.06487	5.0
109.10132	12.1
111.08064	19.5
113.09614	6.9
117.06979	4.6
119.08563	54.4
120.08942	1.2
121.10119	19.4
123.11687	11.6
129.07014	1.9
130.07779	0.9
131.08542	16.8
133.10103	10.5
135.11650	6.3
137.09598	2.4
137.13292	1.8
142.07779	1.4
143.08549	7.2
144.09332	2.1
145.10089	23.1
147.11662	9.8
149.09607	1.3
149.13231	6.9
151.11124	1.3
153.01805	3.9
157.10110	11.4
158.10831	1.3
159.11664	52.5
160.11969	1.3
161.13206	10.3
163.11169	2.8
163.14777	4.5
171.11678	6.9
173.13237	17.5
175.14745	6.4
177.12721	7.7
179.14223	2.3
181.15779	1.5
185.13228	8.2
187.14774	5.4
189.16403	5.7
191.14313	1.0
199.14771	15.8
201.16437	1.0
203.17886	2.8
211.14806	1.0
213.16379	11.5
215.17911	71.2
216.18190	2.1
217.15804	2.5
227.17937	3.3
229.19469	9.6
231.17365	2.0
255.21037	56.6
256.21365	1.8
273.07568	4.0
273.22070	100.0
274.22357	3.5
284.37793	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1126
Annotation	Deidaclin
Peak:m/z	Relative Intensity
52.05965	0.4
55.01856	0.6
55.05497	0.9
56.05048	0.4
56.96559	2.9
57.03414	1.3
61.02913	2.1
65.03920	1.4
65.36401	0.4
69.03419	4.1
70.06582	6.2
71.04985	0.6
71.54626	0.4
71.55032	0.6
72.08150	1.0
73.02899	1.2
79.05473	1.3
81.03391	1.6
81.07037	2.0
82.06558	0.9
83.06079	1.9
84.04515	0.9
84.08135	4.3
84.96022	0.6
85.02892	9.2
86.09686	1.1
87.04447	0.5
88.02169	0.5
91.03951	0.6
92.04987	18.9
93.04508	1.1
93.05769	1.5
94.06544	3.5
95.06092	3.2
96.08111	22.5
97.02885	3.6
98.97561	3.7
99.04450	0.9
101.47654	0.4
109.02867	1.2
110.06021	100.0
110.07130	20.5
111.05567	0.5
111.06316	0.8
111.57405	0.5
112.08665	0.8
112.99137	0.5
116.07102	0.8
116.48412	0.4
116.98579	2.2
119.01894	1.0
121.01633	1.0
123.06642	0.6
127.03870	2.3
129.10210	0.7
131.00101	0.5
134.02744	0.6
134.05920	0.6
134.99619	1.0
136.07544	0.5
143.00093	0.9
143.01897	0.6
145.03473	0.4
145.04919	1.2
152.07063	2.1
156.07654	2.9
158.99571	0.6
161.01189	0.6
161.02946	0.8
161.06627	0.5
163.12312	1.3
175.11835	0.6
177.00668	0.8
186.12242	0.5
197.12935	0.6
208.14418	2.7
212.07596	1.5
220.16643	0.4
226.15469	4.4
227.13644	0.4
230.08607	2.1
244.11743	0.5
248.99165	1.1
249.02705	0.8
251.27412	0.4
254.10229	1.2
254.14977	3.5
261.11310	0.4
267.00217	1.2
272.11252	52.8
272.15829	22.4
273.11600	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2415
Annotation	Axerophthene
Peak:m/z	Relative Intensity
53.03936	1.7
53.32385	1.0
55.05508	7.5
56.53999	1.1
57.07070	6.0
59.16512	1.2
67.05497	8.8
69.07050	10.2
70.06583	1.1
70.21932	4.0
70.22348	2.0
71.08623	2.8
72.08128	1.4
79.05472	3.8
81.07042	18.0
83.08599	6.9
84.08131	1.1
86.06055	1.3
91.05450	4.7
93.07034	12.1
95.08594	30.1
97.10149	3.1
98.99348	1.1
100.07599	3.4
102.09007	1.2
102.11578	1.0
102.17442	1.1
105.07025	16.3
107.08574	21.3
109.10126	21.6
111.11722	2.1
112.21803	1.0
117.06982	4.7
119.08561	26.7
121.10114	16.6
123.11713	9.8
130.07791	1.4
131.08539	11.1
131.89197	1.0
133.10114	15.0
135.11647	7.9
137.13234	3.3
144.09261	1.7
145.10100	21.4
147.11676	11.0
149.13245	7.4
159.08083	1.6
159.11653	22.3
161.13237	23.5
163.14803	9.8
171.11682	2.3
173.13254	19.2
174.13841	1.1
175.14772	9.7
177.16348	4.2
183.08131	1.3
187.14790	11.3
189.16331	4.6
201.16360	15.4
201.42371	1.1
211.14757	1.2
215.17921	17.1
228.18607	1.2
229.19510	3.8
243.21042	3.5
254.24759	6.7
271.05966	1.1
271.09711	1.5
271.24164	100.0
272.25601	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
69.58437	0.7
69.58834	1.4
76.30934	0.3
98.21399	0.5
102.53252	0.3
102.94209	0.3
171.92029	0.3
211.38333	0.3
260.83237	0.3
272.08890	100.0
273.09268	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	271.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	9.4
57.03413	0.9
57.07073	4.4
65.03904	0.9
67.05169	0.9
67.05494	8.9
69.07054	11.2
70.06580	1.4
70.24310	3.4
71.04978	1.6
71.08593	1.8
72.08143	2.4
79.05481	4.9
81.07036	17.5
83.08595	6.6
85.06509	1.0
91.05466	7.4
93.07026	17.8
95.04938	1.9
95.08590	30.7
97.10143	3.1
98.21411	1.0
100.07585	1.4
105.06374	1.6
105.07014	19.8
107.08572	23.0
109.06526	1.2
109.10136	22.7
117.06999	3.8
119.08556	33.6
121.10120	21.1
121.10956	0.7
123.08022	1.2
123.11691	10.0
127.03857	0.9
129.06982	1.5
131.08536	11.0
133.10107	17.0
134.05998	1.0
135.11658	11.3
137.13208	3.0
141.06903	1.1
143.08511	1.3
144.09300	0.9
145.10100	27.3
147.11659	11.8
149.13234	9.5
155.08495	1.6
157.10078	3.4
158.10930	1.0
159.08061	4.4
159.10410	0.7
159.11659	21.4
161.13217	15.5
163.14786	10.3
165.06927	1.7
173.13231	14.9
175.14801	8.2
177.16371	4.4
187.14806	11.0
189.16388	5.5
201.16331	14.0
203.17926	1.4
211.11151	0.9
213.16357	2.0
215.17946	15.8
219.45908	0.9
229.19553	5.4
243.20946	1.5
271.09756	2.2
271.24133	100.0
272.24557	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2413
Annotation	Axerophthene
Peak:m/z	Relative Intensity
53.39181	1.0
54.02248	0.9
55.05506	7.0
55.15238	1.0
57.07066	5.1
64.16779	1.0
67.05489	11.5
69.07059	12.0
70.06554	1.6
71.08613	2.2
72.08120	1.7
74.33376	1.1
78.72341	0.9
79.05476	6.2
81.07040	19.3
83.08602	5.9
83.31274	1.0
84.08145	1.0
85.06505	1.1
85.10146	1.1
91.05463	6.6
93.07027	12.0
94.08814	1.1
95.04974	1.1
95.08589	30.0
97.02831	1.0
97.10133	2.8
99.08115	1.1
100.07571	2.2
105.06371	1.7
105.07009	18.8
107.04939	1.2
107.08572	19.8
109.02854	1.5
109.06488	2.2
109.10135	25.3
111.11701	1.3
112.11214	1.5
117.06995	3.3
119.08554	25.2
121.10126	17.8
123.08053	1.0
123.11694	9.4
129.06976	1.4
131.08533	9.0
133.10097	15.2
135.11679	11.5
136.75656	1.1
137.05980	1.3
137.13246	1.8
143.08481	1.9
145.09068	1.2
145.10110	19.9
147.11652	13.1
149.13234	9.9
153.06940	1.5
155.05984	5.3
155.08533	1.7
156.04410	2.8
157.10109	3.5
159.10432	1.6
159.11674	21.8
161.13225	16.3
163.14803	8.8
165.06966	2.5
169.10066	1.2
171.11580	1.2
173.13231	12.4
174.76126	1.3
175.14796	7.8
177.16304	3.8
181.06464	1.2
181.36176	1.0
183.05493	10.1
183.07996	2.0
183.11757	1.4
187.14801	12.6
189.16333	5.3
191.17995	1.4
201.16351	14.4
211.07506	2.8
213.16272	1.8
215.17937	16.9
216.18307	1.5
229.06041	31.4
229.19586	5.5
230.06458	2.1
243.21085	1.7
257.05533	19.2
271.07013	13.7
271.09766	5.7
271.24152	100.0
272.07407	1.3
272.25455	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2415
Annotation	Axerophthene
Peak:m/z	Relative Intensity
53.03928	1.2
55.05505	6.1
57.07064	5.0
67.05495	8.1
69.03374	1.1
69.06718	1.0
69.07060	11.5
69.90964	4.9
70.06554	1.2
71.08614	2.4
72.08109	1.4
74.39382	1.0
79.05466	4.8
81.07047	18.1
83.04953	1.2
83.08610	5.9
84.08141	1.2
91.05466	5.4
92.39720	0.8
93.07016	11.5
95.04943	1.8
95.08590	31.3
97.02887	1.2
97.06469	1.1
97.10136	3.5
100.07571	1.9
105.07011	17.0
107.08579	20.5
109.06483	1.0
109.10131	23.2
111.11668	2.2
117.07001	5.1
119.08559	26.2
120.08848	1.0
121.10126	19.7
123.05446	0.9
123.11683	8.5
130.15439	0.9
131.08542	10.5
133.10104	15.2
135.11658	8.0
136.07590	1.5
137.07890	1.1
137.13214	2.9
141.87329	0.9
143.08527	1.7
144.09351	1.8
145.10092	22.0
146.05963	2.3
147.11650	12.9
149.13239	6.8
150.74342	0.9
157.10085	1.3
158.10809	1.1
159.11670	25.3
161.13222	20.5
163.14790	8.3
165.07007	1.2
166.18839	0.9
171.11705	1.1
173.13240	18.2
175.14784	9.1
177.16307	5.2
187.14803	13.1
189.16357	3.9
191.17892	1.2
193.11348	0.8
197.13361	1.3
199.14807	0.9
201.16324	14.6
202.16714	1.2
211.07515	0.9
211.14816	0.9
213.16325	1.4
215.17926	18.8
217.19405	1.3
229.19449	3.8
243.21089	2.7
253.14394	1.4
271.09732	2.1
271.24146	100.0
272.24585	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
53.32624	0.4
55.01855	1.0
55.05259	0.7
55.05499	6.8
57.03405	0.7
57.07052	0.8
58.06589	1.1
61.60258	0.4
67.05486	0.7
69.03399	1.2
69.73373	1.4
69.73800	1.4
70.06564	1.7
71.04966	1.7
72.04505	3.4
72.08132	1.2
73.06542	6.2
76.60473	0.4
81.03402	1.2
81.07024	0.8
84.04485	0.5
84.08129	17.5
84.37081	0.4
85.02866	0.5
86.03526	0.8
86.09672	1.8
89.03854	0.4
91.05448	2.7
93.07043	0.6
95.04929	0.8
95.08554	0.6
97.10088	0.4
99.04422	0.6
100.07597	40.9
100.11244	0.6
100.67042	0.4
101.07858	0.5
102.09160	26.8
105.07014	0.6
107.04929	1.0
109.02868	2.2
112.11233	3.8
113.55273	0.4
114.12767	2.5
115.05450	0.7
116.10699	1.4
119.04903	1.5
121.06480	0.9
121.10223	0.5
127.03898	1.2
128.10716	0.6
129.10175	0.8
130.06500	0.8
134.57996	0.5
137.05956	11.8
138.26753	0.4
141.07007	0.9
144.10162	1.7
151.07516	0.8
152.06168	0.9
153.06966	4.1
153.35495	0.4
155.08527	2.1
157.07573	1.6
161.06029	0.5
162.96915	0.4
165.06970	10.6
166.07350	0.6
168.05679	1.1
169.06448	1.1
171.14865	1.0
172.13289	100.0
172.16779	3.6
173.13588	1.1
179.07018	1.6
181.06494	2.3
182.07222	1.5
182.15379	3.2
183.08000	6.7
184.16925	1.4
185.05898	0.7
186.18454	0.6
193.04935	0.5
193.06306	1.9
193.12422	0.4
196.05151	1.4
197.05920	0.9
201.19530	1.0
203.08081	0.5
205.52222	0.4
207.04288	0.5
210.06764	0.6
211.07472	5.3
212.08241	0.7
221.05974	1.9
225.15962	1.7
228.07805	0.7
239.06978	1.2
242.09326	0.9
243.10236	0.7
263.29611	0.4
271.07333	1.1
271.09647	17.2
271.23752	64.4
272.07425	0.5
272.09909	1.9
272.24078	1.3
280.84464	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.2
55.05520	1.5
56.62011	0.4
57.03442	0.8
57.07063	0.4
57.83207	0.4
61.60292	0.4
67.05501	2.1
67.59949	0.4
69.03431	1.0
69.07057	2.0
70.06583	2.2
71.04978	0.7
71.51621	0.5
71.51993	0.5
72.08143	2.2
79.05495	1.6
81.03432	1.2
81.07053	2.7
82.36777	0.4
83.04983	1.9
83.08623	0.8
83.51151	0.4
84.08097	2.0
85.02914	1.2
85.06533	0.9
86.09698	1.0
87.47032	0.4
91.05462	4.8
93.07038	1.5
94.04200	0.9
94.06567	0.6
95.04958	1.2
95.08590	2.3
97.06532	1.1
97.10172	0.5
99.04432	0.9
100.07607	0.9
105.07012	1.5
107.04941	0.9
107.08558	1.3
109.02874	1.7
109.06554	0.7
109.10149	1.3
111.04429	0.9
111.08037	0.9
112.07629	0.8
112.11256	0.7
113.05948	0.5
113.66940	0.5
116.07080	0.7
117.05482	1.4
117.07000	0.6
119.04905	2.8
119.08569	2.1
120.01128	0.4
120.08125	0.5
121.06499	1.0
121.10116	1.0
122.03662	2.9
122.05993	0.8
123.04409	0.7
123.08065	0.6
124.07545	0.5
125.05992	1.1
126.09128	0.5
127.03917	1.0
129.05159	0.4
129.06961	1.0
129.13850	0.7
133.10098	1.3
137.05954	100.0
138.06290	1.0
139.07564	0.6
140.07100	0.6
141.06953	1.4
145.10129	0.5
147.04477	0.6
147.08043	0.6
150.09091	1.0
151.07521	1.5
152.06108	0.8
153.06964	4.8
154.07767	0.7
155.08527	3.2
157.06392	0.7
157.10114	1.3
159.11627	0.5
161.13242	1.2
164.04654	0.8
165.05568	0.7
165.06969	10.2
166.83768	0.4
167.08461	0.7
168.05646	1.4
168.13766	0.7
169.06444	0.9
169.10103	0.8
173.13310	0.5
179.07004	38.8
179.14220	1.1
181.06453	2.8
182.07184	1.5
183.08018	5.4
183.11560	0.7
193.06425	1.5
196.05161	1.3
197.05890	0.4
197.09570	0.7
197.13138	0.6
199.10509	0.4
200.08383	0.6
207.04356	0.7
209.05795	0.4
210.06670	0.5
211.07492	6.1
212.08270	0.8
213.05293	0.5
221.05878	1.7
225.16273	0.8
228.04210	0.4
228.07657	1.4
235.13171	0.7
239.06898	1.8
241.09566	0.6
242.09373	0.9
243.10075	1.2
253.10713	2.1
271.06528	1.1
271.09543	20.4
271.14050	0.8
271.16745	2.0
271.19962	2.7
272.10123	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78664	0.4
53.03943	0.6
55.01869	1.6
55.05508	1.8
57.07056	0.5
59.04994	0.4
65.03925	0.5
67.05482	2.1
69.03426	0.9
69.07046	4.0
69.24525	2.3
69.24954	1.6
70.06578	47.7
71.05003	0.7
71.08601	0.4
72.08142	8.3
73.02978	0.5
79.05482	2.0
81.03403	1.2
81.07037	5.3
83.04964	0.5
83.08604	1.1
84.08129	0.8
85.02858	0.4
85.06544	1.1
86.09688	27.0
89.10786	0.6
91.05469	3.0
93.07041	1.6
95.04941	1.3
95.08584	2.9
96.08147	0.4
97.02890	0.6
97.06497	0.9
98.06043	1.9
98.72849	0.4
99.04436	0.9
100.07638	0.4
104.27583	0.4
105.07005	1.5
107.04938	1.1
107.08566	1.2
108.97871	0.4
109.02861	1.1
109.06478	0.9
109.10144	1.3
111.04428	0.8
112.07603	1.4
115.05405	0.7
115.08675	0.9
116.07069	100.0
117.07414	1.1
119.04918	1.6
119.08556	1.8
121.06451	2.3
121.10109	1.4
122.06001	0.5
123.08070	0.5
123.11670	1.6
124.07533	0.7
125.05930	1.0
126.09142	0.5
127.03921	1.2
128.10692	18.8
128.11650	0.9
129.07008	0.6
130.06357	0.5
130.68353	0.4
131.04858	0.4
131.08540	1.6
133.10100	0.8
135.11678	0.6
137.05956	2.9
140.07056	0.5
141.06970	1.6
142.07677	0.7
143.08513	0.5
145.10107	0.9
147.08055	1.3
147.11659	1.3
148.07561	0.5
150.06683	0.4
151.07553	1.1
152.06201	1.4
153.06976	5.3
154.07715	1.3
155.08519	3.6
156.10197	3.3
157.06432	0.7
157.10100	1.8
159.11688	0.6
165.06976	11.7
165.12724	0.5
166.07387	0.5
167.08508	0.6
168.05672	1.5
168.09314	0.6
169.06450	1.6
169.10103	1.6
173.13197	0.9
181.06436	3.5
181.10039	0.8
182.07191	1.4
183.08000	7.5
183.11600	1.5
185.05917	0.6
185.09531	0.7
187.39310	0.4
193.06429	1.6
193.10132	0.9
195.11606	0.8
196.05208	1.2
196.12450	0.6
197.05902	1.4
197.09589	0.8
199.07590	0.7
200.08215	0.9
207.04312	0.6
210.06580	0.7
210.10304	0.5
210.13968	0.7
211.07521	6.8
211.11075	0.6
211.14783	0.4
212.08098	0.9
213.05502	1.0
213.16357	0.6
215.10631	0.4
221.05959	2.1
225.09018	0.7
225.16432	1.8
227.06815	0.4
228.07689	0.9
235.16940	0.4
236.19966	3.8
238.10670	0.5
239.06969	1.6
241.09720	0.8
242.09370	1.0
243.10043	1.0
253.22771	2.0
254.20937	1.2
271.09570	22.8
271.14038	1.0
271.16931	4.9
271.23746	9.9
272.10117	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0959
Annotation	2,7-Dihydroxy-4,6-dimethoxyphenanthrene
Peak:m/z	Relative Intensity
53.03939	0.9
55.01867	4.0
55.05500	1.3
59.72348	0.6
59.83603	0.6
59.93856	0.6
65.03925	1.0
67.05478	1.5
69.03387	1.8
69.07034	0.8
69.56279	1.1
69.56686	4.8
70.06562	2.5
71.04953	1.3
72.08122	1.7
72.65929	0.7
79.05459	2.3
81.03397	2.0
81.07026	3.2
83.04971	1.7
84.04491	1.0
84.08107	2.6
85.02875	1.3
85.06515	0.8
86.09672	1.1
86.92577	0.7
87.94563	0.8
89.03895	1.0
91.05459	11.2
93.07001	1.6
95.04948	1.8
95.08582	1.9
97.02927	0.8
97.06509	1.0
98.09685	1.2
99.04436	1.7
100.07586	2.3
105.07034	1.4
107.04954	4.1
107.08550	1.5
109.02857	2.5
109.06455	1.8
111.04396	1.0
112.11186	1.3
115.05385	2.3
117.06960	0.9
118.04169	1.8
119.04917	7.4
119.08548	1.8
121.06477	4.0
122.03624	1.1
123.04393	1.8
123.08062	0.7
124.05119	0.8
125.05949	0.8
126.09103	1.0
127.03906	1.1
128.06184	1.1
129.06953	2.3
133.10123	0.8
134.03595	1.4
135.04384	1.6
137.05963	16.1
139.05408	0.8
141.06953	5.3
147.04425	1.2
147.07979	1.1
149.05959	2.8
150.06670	1.2
152.06169	4.3
153.06963	23.6
154.07765	3.4
155.08521	13.6
157.06439	2.7
165.06969	65.3
166.07407	2.0
167.08423	1.0
168.05687	8.8
169.06406	5.6
170.07289	1.4
171.11552	0.9
172.13264	1.8
177.06940	1.0
178.07741	0.8
179.07056	3.9
179.08405	1.3
181.06448	14.1
182.07248	5.1
183.08018	33.2
183.09679	1.7
185.05873	3.9
193.06297	9.9
193.07950	1.5
194.07207	1.7
195.07910	2.0
196.05199	5.9
197.05959	3.9
197.09641	1.6
198.06682	2.5
198.14832	1.2
199.07474	1.7
200.08211	4.4
207.04317	3.4
209.05914	1.8
210.06631	4.7
211.07500	33.3
212.08347	5.2
213.05226	1.5
213.08975	2.0
215.10542	0.9
221.05942	12.2
225.09003	2.6
226.14355	1.9
227.06918	1.4
228.07735	4.5
239.06929	7.4
242.09348	5.3
243.10143	3.3
246.53766	0.9
253.08528	0.9
256.07172	1.3
257.07837	1.6
270.08636	1.1
271.09570	100.0
271.16736	3.5
271.19781	1.9
272.10062	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	271.0958
Annotation	3,5-Dihydroxy-2,4-dimethoxyphenanthrene
Peak:m/z	Relative Intensity
50.06379	0.7
53.03918	0.8
55.01864	4.9
55.05478	2.7
57.03398	0.9
57.07059	0.6
65.03908	1.3
67.05471	1.7
69.03388	1.7
69.07037	0.9
70.06564	2.1
71.04950	1.2
71.45531	1.1
72.08136	1.4
73.02893	1.5
73.06519	1.2
77.57624	0.7
79.05475	2.1
81.03387	1.8
81.07025	1.1
83.04968	1.0
84.04449	0.8
84.08139	7.0
85.02863	1.3
85.06479	0.7
86.09678	1.7
89.03909	1.1
91.05461	11.8
93.07022	1.1
95.04958	3.8
95.08585	1.7
97.02857	1.6
99.04424	0.9
100.07603	13.6
102.09146	8.7
105.03358	1.3
105.07001	1.5
107.04917	4.4
109.02852	4.6
109.10094	1.0
111.04375	0.9
112.11194	1.2
114.12746	0.9
115.05432	2.4
119.04924	7.9
119.08523	1.1
121.06516	3.3
121.10161	0.9
122.03608	1.0
123.04385	2.2
124.05190	1.0
125.05935	0.8
126.09102	0.9
127.03890	2.5
128.06175	1.1
129.06970	1.6
129.10167	1.0
131.04895	1.0
133.06450	0.9
134.03574	1.3
135.04378	1.8
137.05943	12.8
140.06215	0.9
141.06963	6.2
144.10152	0.8
145.06412	1.0
147.04369	1.2
147.11607	0.7
149.05946	3.2
150.06738	1.7
150.09105	2.3
151.11131	0.8
152.06143	5.0
153.06958	24.2
154.07729	3.6
155.08522	13.9
157.06477	1.7
165.06972	61.7
166.07365	1.4
167.08485	1.4
168.05678	9.7
169.06442	5.7
170.07211	1.9
171.07976	1.0
172.13290	31.4
172.16879	1.2
177.06931	0.8
179.06981	2.8
179.08414	1.0
181.04968	1.1
181.06448	13.0
182.07245	6.7
183.08008	32.9
185.05890	3.9
187.07558	1.9
188.78314	0.7
193.06293	8.3
193.07947	1.1
194.07161	2.1
195.07915	1.4
196.05147	6.5
197.05887	4.8
197.09622	1.0
198.06677	1.9
199.07491	2.5
200.08334	3.2
207.04294	3.1
207.06061	0.8
209.05870	1.3
210.06674	2.7
211.07492	33.4
212.08234	5.0
213.05345	1.6
213.09033	1.4
219.19658	0.7
221.03990	1.0
221.05957	11.9
225.09085	2.5
225.15799	0.8
227.06937	1.2
228.07817	3.6
239.07028	6.8
241.08493	1.1
242.09271	4.4
243.06514	1.7
243.10129	2.4
243.12206	0.8
257.08041	1.1
271.09570	100.0
271.23724	22.5
272.09824	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	270.0789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.4
53.85656	0.4
55.05479	0.4
58.99577	2.4
69.90347	1.9
70.06596	2.1
70.24216	0.4
72.08136	1.8
74.00644	1.3
76.02219	4.3
79.05480	20.7
81.07005	0.4
84.08121	0.8
86.06034	0.5
86.09702	0.7
86.99027	2.6
89.06025	0.9
91.05466	1.6
92.14819	0.4
93.06994	0.5
95.04922	0.4
95.08596	0.5
95.61169	0.4
103.04782	0.7
103.05453	11.8
104.50111	0.5
105.00082	3.0
105.06996	1.9
107.04935	100.0
108.05275	0.4
112.08732	0.5
116.07106	0.4
117.07048	0.5
119.07314	0.6
120.01113	0.5
120.08093	5.2
121.06477	0.9
122.02705	23.0
128.06204	1.1
131.04909	15.1
132.08061	0.5
135.01596	0.8
135.02620	15.5
144.08076	1.0
147.04364	0.5
149.05949	35.6
157.10832	0.5
161.04179	1.3
165.07043	0.6
178.06856	1.3
181.03185	0.8
207.04805	0.9
224.07362	8.6
242.19780	1.2
252.06810	5.5
253.05257	6.5
253.16571	0.4
270.07834	7.3
270.13641	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	6.5
55.01858	3.2
55.05502	22.4
57.03195	2.7
57.03427	28.6
57.07059	12.3
57.90718	2.3
57.95115	2.4
62.61942	2.4
67.05492	81.1
69.06734	2.3
69.07065	32.8
69.67941	17.1
71.04962	7.5
79.05480	43.9
81.07041	100.0
83.04936	12.2
83.08608	23.7
85.06503	7.0
91.05463	30.5
93.07029	77.0
95.04919	9.8
95.08597	29.6
97.06528	18.5
97.10126	5.0
99.08037	3.4
105.06992	14.6
107.04952	2.6
107.07868	2.7
107.08570	34.8
109.06482	5.3
109.10112	8.6
111.08044	12.1
113.09560	2.9
117.06970	9.3
118.95994	2.4
119.08530	7.8
121.10126	22.5
123.11713	3.6
127.11185	2.4
131.08533	14.4
133.10106	17.8
135.11662	13.5
145.10120	3.3
147.11647	3.8
149.09595	6.2
149.13249	37.3
157.10049	4.2
159.11673	29.9
161.13257	6.0
177.12733	19.5
179.14241	3.8
195.13757	16.7
233.18848	2.5
251.19905	6.9
269.17358	83.3
269.22437	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	269.1743
Annotation	Trichotriol
Peak:m/z	Relative Intensity
53.03932	3.5
55.01862	3.1
55.05504	19.0
57.03181	2.2
57.03428	26.1
57.07054	5.5
57.93565	1.8
62.42474	1.7
65.03934	2.7
67.05493	77.0
69.07056	29.6
71.04958	8.2
71.53603	3.9
77.27425	1.7
79.05479	38.6
81.03413	3.3
81.07042	100.0
83.04945	8.3
83.08606	15.0
84.08109	3.9
85.06502	6.0
91.05466	26.2
93.07029	69.4
95.04914	8.3
95.08598	25.0
97.06520	17.8
97.10139	4.3
99.08039	5.1
100.07549	2.3
105.07014	11.2
107.08575	31.4
109.06478	3.0
109.10110	6.0
111.08062	7.7
115.04737	2.0
117.06982	8.2
119.08556	3.4
121.06472	3.0
121.09314	2.7
121.10124	30.0
123.11681	1.9
129.06892	2.5
131.08542	15.2
133.10083	17.8
135.07990	2.2
135.11697	12.8
136.06102	2.3
145.10143	2.1
147.96855	2.4
149.09599	19.1
149.13232	40.4
151.11099	3.5
157.10057	2.3
159.11665	25.4
161.13251	3.1
173.13173	2.0
177.09073	9.1
177.12747	17.0
179.14204	2.7
191.10597	2.6
192.91174	2.1
195.13768	18.5
196.09534	2.4
209.11642	6.6
209.13466	2.4
241.14230	2.7
246.06636	2.6
251.20085	3.5
269.17401	86.4
270.17654	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1741
Annotation	Trichotriol
Peak:m/z	Relative Intensity
52.87572	0.8
53.03926	2.2
55.01852	3.6
55.05502	22.0
57.03426	35.4
57.07060	4.7
65.03919	2.6
67.05490	76.2
69.07055	31.0
71.01319	1.2
71.04968	5.3
72.08134	1.3
73.02852	1.0
79.05476	44.9
80.05846	0.7
81.03425	1.8
81.07039	100.0
82.07336	1.1
83.04962	11.3
83.08598	19.3
85.06535	6.4
91.05460	21.8
93.07024	74.2
95.04942	7.6
95.08585	27.6
97.06508	17.9
97.10143	3.8
98.21542	1.5
99.04410	1.1
99.08062	6.5
105.04501	1.1
105.07014	11.1
107.04951	1.0
107.08571	41.3
109.06504	4.4
109.10129	7.6
111.08057	9.6
111.11697	1.2
113.06010	0.8
115.05412	1.1
117.06994	11.3
119.08535	6.1
121.06493	2.2
121.09321	1.6
121.10126	24.1
123.08038	1.0
123.11666	4.3
125.09584	1.0
126.52681	0.8
129.06969	1.0
131.08549	12.8
133.10086	13.6
135.08002	2.9
135.11662	14.5
139.11159	2.7
143.08504	1.5
145.10075	4.5
147.11671	4.1
149.09544	1.8
149.13232	53.5
150.13533	1.6
157.10092	2.6
159.11664	27.5
161.13217	3.4
165.12715	1.0
167.14227	1.9
171.11670	2.4
173.13187	1.7
175.14766	1.5
177.12695	14.5
179.14226	1.4
185.13205	2.3
187.14699	1.3
195.13779	16.0
199.14734	3.2
213.14671	2.0
213.16403	2.1
227.17882	0.9
269.17419	78.7
269.22247	17.0
270.17624	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	269.1742
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03915	3.2
55.01848	3.6
55.05500	21.9
57.03431	32.1
57.07058	6.4
57.67889	1.4
58.23496	1.4
65.33652	1.6
67.05494	80.0
69.07057	33.8
70.61538	5.5
71.01341	1.6
71.04962	6.2
71.08602	3.3
72.08092	1.5
77.17339	1.5
78.46200	1.3
79.05481	48.0
81.03399	1.4
81.07041	100.0
83.04967	14.7
83.08610	19.7
85.06523	8.2
91.05465	22.7
93.07027	73.8
95.04940	6.9
95.08594	30.8
97.02894	1.6
97.06516	14.2
97.10177	3.7
99.08062	5.5
99.14762	1.4
105.07023	12.0
107.08578	37.9
109.06478	4.8
109.10120	8.0
111.08060	10.3
111.11688	2.4
113.05964	1.9
117.07009	11.1
119.08548	9.2
121.06525	3.1
121.09331	2.2
121.10120	27.0
123.11671	4.7
129.07005	1.6
131.08557	11.9
133.10085	12.0
135.08034	2.4
135.11658	15.2
139.07423	1.7
139.11136	3.4
142.07727	1.6
143.08548	1.7
145.10062	4.1
147.11671	4.3
149.09645	2.1
149.13237	55.4
151.11154	2.7
157.10106	3.9
159.11658	28.0
171.11668	3.0
173.13292	2.7
177.12737	15.9
185.13254	2.4
195.13762	22.5
199.14777	2.2
208.04517	1.5
213.14607	1.6
213.16394	2.4
223.20828	1.5
233.18950	1.9
237.09264	1.7
269.07770	2.4
269.17407	79.8
269.22098	14.9
270.17896	2.4
271.90012	1.7
284.79791	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	268.1036
Annotation	Adenosine
Peak:m/z	Relative Intensity
52.69329	0.2
53.59925	0.2
55.01869	0.4
56.05029	0.2
57.03427	0.6
67.08660	0.2
69.03417	0.2
69.95985	1.0
70.06576	0.8
71.01333	0.2
72.08136	2.3
73.02914	0.3
84.08129	1.0
85.02883	0.5
88.03982	0.3
97.02894	0.2
98.97562	0.3
100.07613	1.4
110.07150	0.6
112.07594	0.4
119.03561	0.9
120.08080	1.2
121.06531	1.1
121.08436	1.5
129.10223	0.4
130.08661	0.3
136.06165	100.0
137.04585	0.4
150.05550	0.2
151.05777	0.5
152.14209	0.3
171.14763	0.3
222.11272	0.2
268.10352	9.4
268.23874	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1743
Annotation	Trichotriol
Peak:m/z	Relative Intensity
53.03920	2.6
55.01851	3.8
55.05503	21.3
57.01795	1.0
57.03426	39.7
57.07073	4.8
59.04964	0.9
65.03919	2.4
65.82224	1.0
67.05493	77.5
68.05798	1.4
69.03404	1.0
69.07056	37.8
69.87803	5.3
71.04974	7.2
71.08610	1.2
72.08115	1.9
77.03909	1.3
79.05476	43.7
81.03400	1.9
81.07041	100.0
82.07360	1.9
83.04964	11.8
83.08610	20.2
84.08118	2.1
85.06548	6.9
87.29440	0.9
91.05462	25.0
91.21368	1.0
93.07027	76.7
95.04940	7.2
95.08588	28.5
97.05926	1.2
97.06514	18.4
97.10140	3.4
98.20809	1.4
99.04465	1.7
99.08080	4.7
100.07599	1.5
105.04510	1.8
105.07002	12.0
107.08573	45.6
109.06491	5.9
109.10134	7.3
111.08060	12.7
111.11653	1.5
113.05978	1.2
113.09594	2.1
117.07008	9.8
119.08569	5.2
121.06463	2.1
121.10123	25.3
123.08013	1.4
123.11681	3.7
125.05980	1.0
125.09483	1.2
125.74798	1.0
127.07533	1.6
131.08559	12.3
132.36568	1.0
133.10106	11.0
135.07993	3.0
135.11652	13.0
138.30762	1.0
139.11127	3.3
143.08549	2.1
145.10086	3.6
145.29736	1.0
147.11676	4.7
149.13229	62.9
150.13498	1.8
151.11182	1.2
157.10152	4.7
159.11670	26.6
161.13203	2.3
165.12628	1.2
167.14270	1.9
171.11688	2.4
173.13220	2.8
175.11168	1.3
175.80023	0.9
177.05458	1.4
177.12714	16.4
179.08316	1.1
185.13283	1.8
187.14771	1.6
195.13763	19.7
199.14720	2.9
209.09543	1.2
209.13199	1.1
213.14636	1.4
213.16362	2.6
215.17902	1.0
227.17944	1.4
233.15340	1.3
251.19992	1.5
269.07910	2.0
269.17404	81.3
269.22107	15.1
270.17670	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	267.1585
Annotation	Rugosal A
Peak:m/z	Relative Intensity
53.03911	1.0
54.92695	0.5
55.01844	1.5
55.05500	8.1
57.03420	4.6
57.07059	1.0
59.04992	0.9
59.65135	0.5
59.85598	0.5
65.03905	0.7
67.05487	24.7
67.95046	0.5
69.03407	1.2
69.07052	11.9
71.04967	2.1
71.52175	0.5
72.08112	0.7
79.05472	13.8
81.03383	1.7
81.07036	62.6
83.04958	6.6
83.08592	5.4
84.08147	0.6
85.06525	4.1
87.04465	0.5
91.05457	18.4
93.07024	9.7
95.04941	2.9
95.08584	20.4
97.02881	0.5
97.06507	5.2
97.10126	0.6
98.98412	0.5
99.08068	3.2
101.05986	1.3
105.07003	24.2
107.04913	1.2
107.08566	8.2
109.06481	4.1
109.10100	2.2
111.08052	1.6
111.31676	0.6
113.05989	0.8
115.05444	0.7
115.07533	0.8
117.06979	0.9
119.08557	18.1
120.04352	0.4
121.10107	11.0
123.08010	3.0
123.11676	17.0
125.09587	0.7
127.07511	1.5
128.06227	0.6
129.07010	1.7
131.08519	2.2
133.10110	3.1
135.08017	1.1
135.11530	0.5
136.06140	2.4
137.13219	1.4
141.09068	0.9
145.10097	1.1
147.11650	41.7
149.09518	0.6
151.07465	0.6
153.12595	0.5
157.10085	2.2
159.11679	0.6
165.12717	15.8
169.10077	0.8
170.05730	0.8
175.11195	2.3
181.09912	0.5
183.06464	0.7
183.11597	0.5
183.13791	1.4
193.10254	0.6
193.12195	1.1
195.35118	0.5
197.04387	1.6
211.14777	0.6
223.04068	0.6
227.26961	0.5
229.14247	0.9
231.13979	0.5
249.11145	0.9
249.18469	1.1
267.15836	100.0
268.16177	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	267.1335
Annotation	gamma-Glutamyltyramine
Peak:m/z	Relative Intensity
53.11115	0.5
55.01875	0.4
56.05025	5.5
56.96537	1.0
57.03411	1.1
58.06578	1.2
60.04506	0.5
67.05500	0.6
68.38003	0.5
69.03469	0.5
69.07053	1.6
69.63763	2.3
69.64174	1.0
70.06579	1.0
72.08133	0.7
74.06068	26.7
81.07029	0.9
84.04492	24.8
84.08124	0.8
85.02900	1.5
87.08113	0.6
91.05459	2.1
93.07028	6.4
95.04932	0.8
95.08596	0.8
98.97590	1.6
102.05555	0.8
103.05428	2.5
103.61445	0.5
105.03368	1.1
107.04930	0.8
116.98540	1.0
119.04857	0.6
120.04467	1.4
120.08080	13.6
121.06483	100.0
122.06860	1.2
130.04974	14.6
132.06828	0.7
132.98132	0.5
133.10072	0.7
134.99568	0.6
136.06128	1.2
138.09113	19.9
147.04388	0.5
149.06052	0.6
150.99101	0.7
153.05363	0.5
160.08743	0.6
166.08614	11.4
169.00093	0.7
179.96638	0.5
203.11746	1.6
221.12802	7.3
232.08842	0.8
249.12361	5.0
250.10704	16.3
267.00113	1.4
267.13364	27.7
268.13898	0.7
285.01270	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1585
Annotation	Rugosal A
Peak:m/z	Relative Intensity
53.03933	1.0
55.01868	1.4
55.05501	8.6
57.03421	3.9
57.07059	1.0
65.03923	1.3
67.05491	25.6
67.38486	0.4
69.03413	1.3
69.07053	10.7
69.66574	0.4
71.04995	3.2
73.06574	0.4
79.05479	13.2
81.03404	1.7
81.07039	63.3
83.04967	5.0
83.08599	5.3
85.02878	0.8
85.06531	4.3
91.05459	17.8
93.06463	0.6
93.07030	8.9
95.04946	2.2
95.08591	18.6
97.02859	0.5
97.06500	4.5
97.10163	0.7
99.08084	3.1
99.52319	0.5
101.05976	1.2
102.01624	0.5
105.03358	0.5
105.07009	26.4
107.08577	7.4
109.06500	3.5
109.10104	2.0
111.08056	1.0
113.06007	1.1
115.07542	0.5
117.07002	0.8
119.08557	18.4
121.02869	0.8
121.10118	10.4
123.08047	3.1
123.11682	17.4
123.12569	1.0
127.07522	1.7
129.06998	1.1
131.08528	1.5
133.10080	2.6
135.08063	0.7
136.06149	1.5
137.13252	1.8
141.09114	0.6
142.07776	0.5
143.52661	0.4
145.10043	0.9
147.11655	39.0
149.09586	0.4
157.10062	2.2
159.11671	0.6
165.12726	16.6
165.14116	0.9
171.11638	0.7
175.11166	1.2
183.11679	0.7
183.13789	1.8
185.13185	0.6
193.12256	1.4
197.13107	0.6
197.82703	0.4
229.14236	0.8
249.14810	0.5
267.15854	100.0
268.16113	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1221
Annotation	12-Hydroxypterosin T
Peak:m/z	Relative Intensity
59.83029	0.9
67.05489	1.5
70.79382	1.8
70.79717	1.0
81.03388	1.0
81.07031	1.9
84.08126	1.4
91.05458	4.0
103.05438	0.9
105.07018	2.0
107.04903	1.7
115.05428	2.9
116.06174	1.5
117.06995	3.1
120.08086	0.9
128.06223	4.4
129.06972	12.2
131.08534	11.4
133.06430	2.1
133.10095	1.5
141.06956	6.1
142.07762	1.3
143.04863	1.1
143.08533	2.5
144.05676	6.5
145.06465	3.5
146.07234	1.2
153.06949	1.6
155.06004	1.1
157.06468	4.8
158.07175	1.3
159.08026	21.0
160.05240	1.1
161.05937	1.7
161.09544	4.0
169.07570	1.3
170.07242	4.4
171.08028	3.7
172.05176	1.7
173.05919	2.6
174.06743	1.3
175.07455	1.8
187.07513	13.1
189.05334	1.1
189.09048	5.9
199.07475	2.3
203.06989	3.4
204.07759	7.0
205.08571	2.0
214.07506	0.9
216.07729	2.1
219.10117	6.9
221.08025	1.5
221.11687	2.6
231.10031	4.8
237.11115	3.8
249.11180	100.0
250.11546	2.0
267.10736	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1222
Annotation	12-Hydroxypterosin T
Peak:m/z	Relative Intensity
53.03933	1.1
53.75696	0.8
55.01847	1.2
55.05500	2.7
55.32926	1.0
57.03419	1.1
57.07060	1.7
59.04970	1.4
59.26832	0.9
65.14913	0.9
67.05486	8.2
69.03402	2.9
69.07054	4.3
69.74281	6.1
70.06564	0.9
71.04965	2.5
72.08121	1.8
79.05464	4.6
81.03397	2.8
81.06644	1.2
81.07045	12.7
83.04971	2.2
83.08608	2.1
84.08114	2.8
85.06502	2.5
87.04411	1.1
91.05458	7.8
93.07014	7.3
95.04939	2.5
95.08591	10.0
97.06507	2.6
98.20833	1.6
99.04433	1.4
99.08092	1.2
103.05436	1.1
105.03363	2.9
105.07027	7.7
107.04919	1.9
107.08575	6.3
109.02845	1.0
109.06474	2.7
109.10127	3.6
111.08045	2.6
113.05996	0.9
115.05425	3.4
116.06221	2.5
117.06988	4.1
119.04953	0.9
119.08537	5.5
120.08073	1.6
121.06465	2.2
121.10123	5.2
123.08047	1.8
123.11706	2.7
124.03951	1.5
125.09627	0.9
127.07495	1.0
128.06190	4.4
129.06981	13.8
131.04910	1.5
131.08543	14.8
133.06444	3.0
133.10081	4.1
135.04398	1.2
135.08061	1.7
136.06155	3.4
137.05930	1.0
137.09523	1.3
141.06958	4.7
142.07747	2.5
143.08496	4.0
144.05669	6.4
145.06454	4.7
145.10092	2.9
146.07204	1.1
147.04366	1.8
147.07993	2.4
147.11667	2.9
149.05891	1.0
149.09598	1.1
152.06216	1.0
153.06929	2.2
155.06009	1.7
156.05678	1.1
157.06447	6.2
157.10094	1.8
158.07202	2.2
159.08035	20.5
159.11664	2.2
161.05937	2.5
161.09593	4.6
161.13260	0.9
163.11082	1.6
165.12746	1.3
167.06987	2.2
169.06358	1.4
169.07585	1.6
169.10066	1.3
170.07242	3.5
171.08009	3.8
171.11610	1.2
172.05093	1.8
173.05925	2.1
174.06641	1.2
175.07570	2.1
175.11223	1.0
175.14604	0.9
177.05424	1.2
177.12779	1.2
178.06194	1.1
186.06772	1.0
187.07510	14.3
189.05492	2.5
189.09064	4.6
191.06950	1.8
193.08478	1.4
193.12267	1.2
197.13126	1.7
199.07494	2.6
203.06995	3.5
203.14214	1.7
204.07784	9.3
205.08646	1.2
211.07690	1.0
211.14767	1.6
216.07756	3.5
217.08534	1.8
218.70876	1.2
219.10277	5.4
221.08029	1.1
221.11632	2.6
225.16270	1.0
231.10205	4.9
249.11169	100.0
249.18478	2.6
250.11446	3.2
267.06403	2.1
267.10440	5.0
267.15802	2.2
267.21298	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	267.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35340	0.8
53.03936	0.9
55.01854	1.3
55.05488	2.2
57.03428	1.6
57.07056	1.3
61.25076	0.8
63.47599	0.8
63.97229	0.8
67.05490	4.0
67.95409	0.8
69.03416	2.6
69.07040	2.1
70.06581	1.6
71.01337	1.1
71.04955	0.9
71.11762	1.7
72.08123	1.5
73.02888	1.6
74.92068	0.9
77.38188	0.9
79.05477	4.6
81.03400	8.1
81.07036	4.7
83.04976	1.8
83.08604	2.9
85.02884	1.6
85.06568	1.5
91.05461	8.0
93.07032	4.4
95.04958	4.7
95.08607	4.3
97.02859	1.6
97.06532	2.5
97.41814	0.9
101.25469	0.9
103.05446	0.9
105.03370	1.5
105.07023	5.6
107.04934	2.1
107.08569	3.7
109.02859	1.9
109.06476	1.9
109.10123	1.9
111.08040	1.2
115.05417	4.3
116.06257	1.8
116.07050	0.9
117.06995	3.0
119.04990	1.2
119.08541	4.7
120.04403	1.1
120.08088	1.8
121.06522	1.1
121.10124	2.4
123.08062	2.0
123.11715	1.0
123.27494	0.8
128.06180	5.5
129.06982	14.1
131.04912	1.5
131.08557	13.8
133.06473	3.0
133.10133	2.9
135.08058	1.7
136.06158	2.0
137.09619	1.1
141.06941	4.5
142.07712	2.2
143.08551	2.8
144.05675	6.6
145.06473	3.7
145.10120	1.9
146.07167	1.2
147.04366	1.6
147.08052	1.4
147.11682	1.2
149.09612	1.0
156.05725	0.9
157.06497	5.1
159.08037	20.6
161.05952	1.7
161.09628	5.1
161.13168	1.0
167.07068	1.8
170.07257	4.4
171.08044	4.5
172.05135	1.5
173.05917	3.4
174.06709	1.7
175.07538	2.6
175.11198	1.4
177.05435	2.6
178.06117	1.1
187.07529	15.2
189.05423	1.9
189.09067	5.6
191.07056	1.3
193.08702	1.1
193.12225	1.2
199.07368	1.8
201.05577	1.0
203.06952	4.7
203.10646	1.0
204.07784	7.8
205.05034	1.3
205.08649	1.4
216.07796	2.6
218.09357	1.8
219.10143	5.3
221.11685	2.8
223.06119	1.2
231.10132	4.9
237.11217	2.7
249.11171	100.0
250.11597	2.5
267.10501	1.2
267.16119	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	266.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.5
59.04979	0.8
61.02914	1.2
69.97468	1.7
71.04973	1.6
79.05489	0.4
81.07034	3.1
87.08093	0.4
91.50595	0.4
94.04030	1.0
98.21529	0.4
112.94940	0.4
119.03501	2.1
129.74626	0.4
136.06158	100.0
137.04591	0.9
150.07613	0.3
154.59557	0.4
234.13457	20.1
248.61697	0.3
254.65334	0.3
266.16068	60.9
267.16235	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.4
56.05039	0.3
56.96553	2.7
57.03428	0.3
60.04509	0.6
61.01128	0.2
65.03928	0.4
65.52660	0.2
67.05489	2.1
69.07047	0.4
70.06582	1.3
71.05025	0.3
71.32941	0.2
71.33240	0.2
72.04491	0.2
72.08138	1.0
74.06075	0.5
74.97592	0.7
79.05503	0.3
81.04532	0.3
81.07053	0.4
82.06516	0.2
84.04483	0.9
84.08122	1.5
85.02889	0.9
85.06509	0.3
86.09684	1.0
86.97559	0.2
88.03966	0.6
89.05996	0.6
91.05484	0.3
92.04984	0.5
93.07016	0.3
94.06550	7.2
95.04965	0.4
95.08572	0.3
97.02857	0.4
98.97564	4.4
100.03967	0.9
100.07635	0.4
101.02350	0.3
102.05518	0.6
105.03371	0.3
105.07030	0.5
106.06539	2.8
110.07130	0.8
116.98611	2.2
118.05010	0.9
119.08585	0.3
120.04446	2.7
120.08070	1.7
121.06475	2.8
122.06001	7.0
122.07097	1.6
127.03878	0.4
129.10207	0.7
130.04887	0.2
130.08618	0.8
132.08043	0.5
132.98070	0.4
134.02654	0.2
134.05956	0.4
134.99643	0.7
135.86661	0.2
136.06171	0.9
136.07576	0.4
138.05449	0.3
138.09116	1.1
143.00139	0.4
145.05006	0.2
145.50954	0.2
146.73303	0.2
147.04407	0.3
150.05475	100.0
150.99156	1.5
151.05795	0.7
152.07021	0.9
158.99619	0.7
161.01231	0.4
163.04047	0.3
168.06520	2.6
169.00119	0.6
174.99075	0.5
177.00700	0.9
177.10194	0.3
193.00183	0.5
206.98033	0.7
207.06456	0.3
219.28966	0.2
220.99634	0.3
224.99081	0.2
239.00929	0.3
239.10222	0.3
248.99110	0.8
249.12218	0.6
267.00214	3.3
267.09711	8.1
267.13321	0.9
267.20612	0.4
285.01242	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	266.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
58.62254	0.2
60.59187	0.2
71.10767	0.4
76.92446	0.2
82.99850	0.2
93.80609	0.2
101.00863	2.3
116.70142	0.2
119.01901	9.1
120.01991	0.3
122.49820	0.2
134.99884	0.7
137.02930	1.5
140.98683	0.2
158.99864	1.7
175.03004	0.3
177.00923	18.8
178.01024	0.6
179.01321	0.2
182.99838	0.5
192.50955	0.2
193.04149	0.4
200.02611	0.3
201.00853	1.2
217.04039	2.8
219.01965	22.4
220.02037	1.0
225.00839	2.2
242.03635	0.4
243.01926	7.6
261.03012	100.0
262.03156	2.3
263.03091	0.2
275.04529	0.3
284.04584	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	266.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19267	1.0
51.27636	0.9
51.93940	0.8
55.05506	8.2
55.72366	0.8
57.03413	2.8
64.25457	0.9
65.74920	1.0
69.03406	3.0
70.06543	1.1
70.67484	2.6
70.67837	1.1
71.04981	3.0
71.08620	2.3
79.05463	2.8
80.15357	0.9
81.07044	20.3
83.04966	3.1
83.08610	6.1
84.08125	1.4
85.06526	2.6
86.09693	1.7
87.00816	84.0
89.50163	0.8
91.05465	0.9
95.13844	0.8
99.08080	9.0
101.06013	2.1
105.01849	69.6
109.06494	13.7
113.25814	0.9
117.09118	5.2
120.08106	1.7
127.07536	29.8
136.06169	2.3
145.02841	0.9
145.08586	11.0
150.07729	2.0
177.05435	1.5
185.08084	1.1
203.09090	4.8
231.08603	100.0
232.09074	2.6
266.04773	1.4
266.16135	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	266.1381
Annotation	Alachlor OA
Peak:m/z	Relative Intensity
55.05487	0.7
59.04988	0.7
67.05497	0.9
69.45179	7.4
70.06535	1.2
72.08128	1.0
77.03941	0.7
79.05472	1.1
81.07062	0.9
84.08111	1.0
85.02872	0.9
91.05429	1.8
93.07009	1.0
105.06990	2.7
107.08575	1.3
109.10152	1.0
118.06562	1.3
119.08545	1.7
120.04478	1.1
120.08076	5.0
121.08875	4.0
130.06561	1.3
131.07315	1.1
132.08051	8.5
133.07913	1.4
133.08844	16.8
133.09988	0.9
133.10220	0.8
134.08649	1.3
134.09622	18.5
145.08858	8.6
146.09631	5.2
148.11177	52.4
149.11565	0.9
150.09108	1.5
160.11186	73.3
162.01288	0.8
162.12735	8.6
164.10623	1.1
164.47203	0.9
165.11473	10.5
173.05936	0.9
174.06276	1.5
178.12224	13.2
185.14638	0.8
188.10689	1.4
192.13791	56.3
206.11722	48.5
206.13689	1.6
220.13280	100.0
221.13651	2.5
238.14374	2.3
248.12740	13.6
266.13818	47.3
266.25006	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20470	1.1
52.62658	0.9
53.03915	1.3
55.01839	1.0
55.05499	33.0
57.03415	2.0
57.06823	1.3
57.07064	17.4
65.03940	1.2
67.05491	34.4
69.07053	50.0
69.88477	1.0
71.04975	2.4
71.08623	9.2
71.53964	1.4
71.54332	1.7
79.05473	16.9
81.07036	44.4
83.04962	1.5
83.08601	37.1
85.06517	3.2
85.10140	4.1
91.05456	3.2
92.75134	1.2
93.07015	22.0
95.04942	1.3
95.08585	43.9
97.06490	13.4
97.10146	24.6
99.08066	2.4
105.06969	1.9
107.08566	19.8
109.10128	18.1
111.08055	9.1
111.11703	11.0
111.55095	1.0
113.09604	1.3
119.08582	2.0
121.10111	35.7
121.37631	1.0
122.07129	5.2
123.11675	8.4
125.05962	1.3
125.09595	2.7
125.13200	1.7
135.11655	27.4
137.13223	3.1
139.11172	2.0
147.11615	1.1
149.13225	11.2
151.14774	4.4
163.14766	5.2
165.16397	5.2
177.16324	1.9
187.91763	1.1
191.17903	1.2
241.98729	1.7
247.24147	31.4
265.25204	100.0
272.48709	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.252
Annotation	Linolenyl alcohol
Peak:m/z	Relative Intensity
53.03921	1.2
55.05500	33.7
57.02288	0.5
57.03410	1.8
57.07061	16.3
59.04998	0.7
65.03904	0.9
67.05492	36.5
68.29578	0.5
69.03416	0.8
69.07053	53.5
71.04987	2.8
71.08616	7.7
79.05476	18.2
81.07040	45.4
81.07436	0.4
83.04948	1.9
83.08601	38.1
85.06525	2.9
85.10165	3.7
91.05461	2.0
93.07026	24.4
95.04965	0.7
95.08588	44.5
96.08883	0.6
97.05914	0.8
97.06514	10.4
97.10147	27.1
97.36791	0.5
98.21449	1.0
99.08057	2.8
105.06976	1.2
107.08574	15.5
109.10133	21.0
111.08060	9.6
111.11694	10.1
113.09617	1.5
119.08537	0.6
121.10120	37.2
122.07124	1.5
123.08086	0.5
123.11697	7.1
125.09599	2.7
125.13270	2.6
127.11144	0.8
129.12686	0.6
130.36252	0.6
135.11662	28.0
137.13242	3.5
139.11182	2.5
143.14293	1.1
149.13237	13.3
151.14806	4.8
153.12711	0.8
155.14211	0.6
163.14780	4.9
165.16350	3.8
169.15778	0.6
177.16365	2.1
179.17856	1.0
191.17931	2.3
205.19487	0.9
220.24333	0.5
247.24158	33.0
265.25211	100.0
266.25546	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1432
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
55.05498	13.3
55.72285	3.2
56.66658	3.1
65.03912	9.0
67.05493	17.8
69.03417	25.4
69.07032	3.9
70.06573	4.1
70.67522	5.1
70.67856	3.3
71.04967	8.8
78.15498	2.3
79.05487	17.2
81.07044	13.6
83.04958	8.4
84.08087	4.0
89.44080	2.4
91.05463	29.3
93.07024	29.7
95.04961	37.0
95.08577	14.6
95.57913	2.9
97.02845	4.9
97.06525	5.9
99.04416	5.8
103.05456	2.8
104.77405	2.5
105.07014	61.7
107.04953	4.7
107.08569	19.7
108.81950	2.4
109.02827	3.3
109.06501	19.5
109.10147	6.2
111.04418	27.4
111.08051	9.8
113.05986	12.9
115.05457	5.4
116.06217	4.3
117.06978	16.2
119.04855	2.6
119.08561	71.9
121.02821	8.9
121.06489	36.8
121.10140	13.3
122.07169	2.5
123.08041	19.6
125.09586	2.8
128.06194	4.7
129.06969	13.4
130.07765	8.5
131.08543	35.5
133.06453	12.5
133.10100	16.5
135.08034	60.5
137.09599	13.1
139.03854	10.1
139.07498	5.6
141.06969	4.9
142.07727	9.8
143.08551	16.5
144.05626	3.1
144.09259	7.7
145.06451	15.9
145.10100	24.6
146.07256	4.1
147.04277	3.1
147.08023	36.1
147.11649	11.9
149.05972	4.7
149.09564	7.5
151.07443	2.8
154.07689	3.0
155.08508	9.7
156.09286	8.4
157.06499	3.1
157.10112	20.1
158.07245	20.8
158.10893	4.1
159.08044	35.9
159.11661	31.9
160.08725	2.9
161.05991	3.5
161.09592	37.7
161.13200	4.9
163.07425	6.1
165.09081	23.3
167.10583	2.8
168.09296	6.3
169.10059	5.1
171.07941	4.4
171.11662	9.5
172.08804	18.9
173.09584	16.8
173.13222	16.1
175.07513	60.7
175.11125	33.3
181.06386	4.2
183.11647	12.4
185.09561	6.0
186.10336	3.2
187.11154	35.6
189.09027	11.4
189.12720	11.2
193.08565	21.0
193.10059	5.0
196.08771	6.1
199.11107	10.0
201.12703	29.9
203.10606	41.2
205.12144	8.4
207.10072	4.6
211.11084	16.8
217.12251	20.1
219.13736	8.7
229.12177	26.4
235.13176	7.7
247.13229	50.6
265.08395	3.7
265.11298	6.1
265.14285	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1542
Annotation	Val Phe
Peak:m/z	Relative Intensity
53.03941	0.5
55.05503	11.0
56.05017	0.8
57.01869	0.2
57.05819	1.1
60.42698	0.2
66.06908	0.2
69.58668	1.7
70.06588	0.5
72.08144	100.0
75.30950	0.3
79.05439	0.3
81.07058	0.5
84.04494	0.6
84.08135	0.6
86.09698	0.6
87.00831	0.8
91.05475	0.6
95.04969	0.2
95.08606	0.3
103.05461	0.3
105.01831	0.4
107.04906	0.3
107.08597	0.2
109.06508	0.4
119.08573	0.3
120.08084	12.0
122.07171	0.4
123.07928	0.3
127.07568	0.3
129.10292	0.2
130.05002	0.7
131.04971	0.2
136.06189	0.7
143.08612	0.2
145.10164	0.4
149.06003	0.5
150.07771	0.3
166.08620	11.2
173.05836	0.2
175.41417	0.2
213.42900	0.2
219.06268	0.4
219.14970	0.7
231.08702	1.0
247.14481	0.3
265.06531	0.6
265.11130	0.5
265.15457	5.8
266.16092	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1429
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03933	5.0
55.01856	4.5
55.05482	13.2
57.03408	2.8
65.03920	12.0
67.05493	29.6
69.03078	3.2
69.03418	35.8
69.07059	4.6
69.40165	11.7
69.40591	13.6
71.04966	9.9
71.80588	2.8
77.15999	3.0
79.05476	20.2
81.03394	4.3
81.07047	20.8
83.04966	12.6
83.08624	3.1
84.08115	5.4
91.05465	44.6
93.03380	9.1
93.07026	48.4
95.04948	54.4
95.08595	21.9
97.02908	15.4
97.06485	7.2
99.04442	4.2
103.05452	6.0
105.06291	3.2
105.07009	58.1
107.08589	23.6
107.67455	2.8
109.02845	4.5
109.06496	25.9
109.10119	5.3
111.04437	29.6
111.08051	7.7
113.05986	15.9
115.05431	7.0
116.06192	4.6
117.06989	17.3
119.08559	97.2
121.02859	20.7
121.06478	46.3
121.10089	18.2
122.07127	4.6
123.04401	3.0
123.08041	24.2
125.05948	4.4
127.03893	3.3
128.06189	7.6
129.06966	13.0
130.07788	7.3
131.08542	37.4
133.06445	10.8
133.10089	17.9
135.08029	73.6
137.09576	17.1
139.03874	17.0
139.07469	9.0
141.06941	10.3
142.07735	7.8
143.08598	15.5
144.09303	7.9
145.06432	16.1
145.10100	32.9
146.07109	3.2
147.08006	44.3
147.11685	15.6
149.09596	14.5
150.09094	3.2
151.07553	4.9
152.07027	11.2
153.06873	4.0
154.07811	2.9
155.08495	5.9
156.09312	3.6
157.10100	21.3
158.07262	20.7
158.10873	4.1
159.08035	37.0
159.11655	36.8
160.08746	5.1
161.05972	4.6
161.09605	41.1
161.13231	4.9
163.07526	6.5
165.09096	24.2
167.10658	7.1
168.09279	8.1
171.08017	9.8
171.11624	11.8
172.08786	20.3
173.09612	16.9
173.13168	14.8
175.07516	79.6
175.11134	32.9
178.08580	11.0
181.06442	5.0
183.11630	11.5
184.08997	3.1
185.09526	7.0
186.10388	6.0
187.07436	3.9
187.11153	43.5
189.09038	17.5
189.12717	11.9
191.10612	3.3
193.08588	30.1
193.10107	5.4
196.08810	11.2
199.11174	14.8
199.30981	3.4
201.12701	40.2
203.10635	50.8
205.12193	8.8
206.08073	27.5
207.10188	4.9
211.11110	20.0
217.12206	30.0
219.13716	15.4
221.11667	3.8
229.12245	38.3
235.13336	8.1
247.13252	67.2
263.75745	3.5
265.14301	100.0
271.61435	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1429
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03939	2.9
55.05485	10.3
65.03916	6.2
67.05498	20.5
69.03130	2.7
69.03418	29.1
69.07036	3.6
70.46622	10.3
71.04963	8.2
71.14751	2.7
78.74265	2.5
79.05476	17.6
81.03370	2.7
81.07027	13.1
81.65672	3.0
83.04946	7.3
85.06585	3.1
91.05464	33.6
93.03372	5.1
93.07024	38.0
95.04955	41.8
95.08575	18.3
97.02869	3.8
97.06490	4.9
99.04415	6.6
103.05449	3.4
105.06374	4.9
105.07011	63.9
107.04932	4.4
107.08582	16.2
109.06507	23.6
109.10120	6.0
111.04408	25.6
111.08044	7.0
113.05971	13.0
115.05401	4.5
117.06995	15.1
119.08559	67.2
120.08080	4.4
121.02831	11.4
121.06476	43.4
121.10116	8.1
123.08045	23.4
123.22322	2.5
128.06207	7.1
129.06969	10.7
130.07793	6.1
131.07668	4.7
131.08546	39.9
133.06432	10.1
133.10106	16.0
135.04414	3.5
135.08029	72.8
137.09570	17.3
139.03838	7.8
139.07494	8.5
141.06961	5.4
142.07744	5.9
143.08530	17.2
144.09296	8.8
145.06432	10.7
145.10089	28.5
146.07246	3.1
147.08023	39.7
147.11655	14.6
149.05913	4.3
149.09561	9.6
151.07520	6.7
153.06862	5.6
153.09032	3.4
155.08496	8.3
156.09360	5.0
157.06384	3.5
157.10101	17.0
158.07249	17.5
158.10844	3.9
159.08041	32.3
159.11652	43.3
160.08789	6.2
161.09575	40.0
161.13222	6.2
163.07506	6.8
165.09091	23.8
168.09253	6.6
169.10010	6.1
171.07967	6.5
171.11642	10.4
172.08807	16.3
173.09598	19.8
173.13229	16.9
173.14447	2.9
175.07520	62.3
175.11131	33.7
177.09164	3.6
181.09944	3.1
183.11661	12.8
183.31842	2.8
185.09505	10.0
186.10385	4.9
187.11157	38.1
188.08244	3.0
189.09048	9.3
189.12749	15.6
193.08537	28.5
193.10089	5.0
196.08784	7.7
199.11188	15.5
201.12685	34.5
203.10655	48.7
205.12215	6.7
210.38649	3.2
211.11118	19.1
217.12158	28.6
219.13783	11.2
229.12180	30.9
235.13222	7.9
247.13219	62.1
265.14297	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.143
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03935	2.4
55.01845	3.3
55.05497	6.0
57.39037	2.2
65.03917	5.7
66.81137	2.6
67.05499	16.9
69.03416	24.5
69.07040	2.1
70.06567	6.7
70.58682	6.9
70.59057	4.2
71.04973	5.4
72.08125	6.3
79.05472	13.8
81.03404	2.9
81.07042	12.3
83.04956	5.1
84.04478	18.5
85.02882	3.6
86.09689	5.9
87.00813	2.9
91.05467	42.8
93.03397	4.2
93.07027	31.8
95.04949	32.6
95.08571	15.1
97.06496	5.1
99.04432	5.0
101.46715	2.3
103.04874	2.2
103.05470	8.9
103.37448	2.4
105.07012	45.0
107.04949	4.4
107.08587	15.6
109.02892	3.2
109.06493	23.8
109.10114	5.4
111.04430	23.8
111.08059	5.3
112.04740	2.9
113.05975	15.8
115.05431	6.1
116.06180	2.2
117.06981	8.5
118.06534	25.8
119.04913	7.7
119.08561	53.0
120.08080	100.0
121.02819	5.9
121.06465	26.9
121.10110	9.9
123.08035	15.8
125.06039	3.4
128.06151	4.9
129.06938	11.3
130.04971	3.3
130.07759	3.6
131.08530	34.7
133.06462	6.8
133.10098	10.4
135.08026	57.6
136.07549	49.3
137.09590	9.7
139.03883	6.7
139.07520	5.7
141.06941	6.5
142.07794	7.4
143.08527	11.3
144.09319	4.4
145.06503	11.4
145.10080	24.7
146.07240	3.0
147.08020	28.0
147.11598	11.9
149.09607	8.9
150.07735	3.4
151.07431	2.6
153.09132	3.6
155.08557	4.6
156.09337	5.2
157.06506	3.4
157.10100	15.4
158.07242	16.0
158.10892	3.0
159.08043	34.5
159.11649	26.7
161.09575	27.5
161.13231	3.9
163.07481	3.1
165.09113	29.0
168.09308	5.4
169.10083	6.5
171.07996	3.2
171.11671	4.9
172.08769	15.4
173.05934	2.7
173.09599	18.5
173.13252	17.0
174.09050	5.1
175.07504	48.2
175.11113	23.9
177.09161	2.5
183.11665	8.9
185.09605	4.6
187.11159	30.7
189.09073	7.4
189.12680	11.1
192.64868	2.2
193.08598	14.3
193.10164	3.9
196.08797	6.1
199.11162	10.9
201.12723	22.5
202.08624	4.3
203.10640	37.7
205.12146	4.8
211.11153	16.0
217.12198	20.0
219.13744	10.6
229.12202	23.8
231.08630	3.8
235.13258	6.2
238.07318	2.3
247.13217	52.0
248.09119	5.8
264.92712	2.3
265.11496	2.7
265.14224	69.0
283.55597	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	263.2365
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.51421	2.3
55.05503	19.1
56.11330	2.6
57.07066	10.7
59.14539	2.6
63.62019	2.2
67.05494	25.0
67.26736	2.3
69.07058	44.1
70.35538	11.0
71.04989	9.2
79.05489	18.0
81.07048	83.4
83.08615	19.6
85.06519	2.7
88.57129	2.2
91.05477	7.7
93.07037	41.6
95.08592	94.6
97.10160	16.5
99.08078	5.9
105.07028	18.6
107.08582	55.8
109.10140	50.7
111.11658	3.6
113.09628	7.4
119.08569	26.9
121.10130	44.3
123.11690	35.5
125.09650	3.9
127.72732	2.3
133.10112	20.9
135.11665	32.3
137.13223	30.2
139.11194	6.9
147.11690	18.0
149.13257	37.9
151.02049	2.2
151.14767	5.0
156.49504	2.4
161.13216	20.1
163.14796	48.6
167.14207	2.4
175.14801	21.3
177.16403	4.0
189.16348	28.7
203.17958	10.7
205.19458	15.2
245.22615	100.0
246.23001	3.5
263.23645	41.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2365
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
52.08804	0.8
53.03925	2.5
55.01847	1.0
55.05265	1.2
55.05503	16.4
57.03421	1.8
57.06831	1.0
57.07067	11.8
59.04957	0.9
62.34159	0.8
62.56583	0.8
65.03905	1.4
67.05496	94.4
69.07054	20.5
70.12435	4.6
71.04966	1.1
71.08617	6.0
73.34227	1.2
79.05482	21.8
81.07044	100.0
83.04944	2.1
83.08605	13.9
85.06513	3.4
85.10180	4.4
91.05472	16.5
93.07033	24.0
95.08594	86.2
97.06517	7.6
97.10159	5.7
99.07501	1.1
99.08084	6.0
105.07018	11.4
107.08589	14.8
109.06467	1.2
109.10139	42.2
111.08068	3.8
111.11678	1.1
113.09600	2.9
119.08558	14.0
121.10127	14.8
123.08039	2.7
123.11680	17.3
125.09645	1.0
127.11211	1.1
133.10114	14.1
135.11682	10.8
137.09612	1.3
137.13229	6.6
141.12723	1.9
145.66714	1.0
147.11647	10.2
149.13235	8.5
151.14801	6.1
155.14279	2.2
161.13240	10.3
161.51974	1.0
163.14815	5.8
165.16393	7.3
175.14774	8.0
177.16379	1.8
179.17903	3.7
189.16353	3.6
203.17970	1.3
207.06558	1.0
240.33513	0.9
245.22620	35.5
263.23672	76.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.0
55.05498	14.9
57.03425	1.5
57.07066	11.0
65.03915	3.1
67.05489	86.8
69.07057	18.1
69.89376	6.8
71.04976	1.7
71.08613	6.3
78.05744	1.2
78.78572	1.2
79.05475	21.2
81.07040	98.4
83.04938	3.4
83.08608	13.7
85.06497	4.8
85.10148	4.5
89.46588	1.3
91.05466	16.6
93.07025	19.9
95.04929	2.6
95.08588	94.4
97.06510	9.5
97.10167	6.9
99.08059	4.9
99.74774	1.3
102.64412	1.2
105.07005	11.7
107.08580	16.6
109.06496	2.1
109.10136	43.7
111.08058	5.0
111.11678	1.4
112.23982	1.3
113.09592	3.5
119.08564	14.3
121.10118	15.8
123.08004	3.9
123.11678	20.6
131.04875	1.6
133.10112	17.0
135.11678	10.6
137.09567	4.1
137.13213	10.9
141.12735	2.5
147.11661	11.2
149.13220	8.7
151.11180	1.9
151.14743	7.8
155.14241	2.6
161.05881	1.5
161.13232	9.3
163.14764	9.5
165.16304	9.9
175.14780	7.7
177.16388	1.6
179.17883	4.0
181.15858	2.0
189.05368	1.7
189.16360	4.3
203.17961	2.0
207.06502	7.3
245.22606	38.3
263.14600	1.9
263.23648	100.0
264.23892	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	263.2365
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03935	1.6
55.01854	1.2
55.05500	14.0
57.03419	2.2
57.07066	10.2
65.03601	0.6
65.03923	2.7
67.05493	81.8
69.03399	1.0
69.07053	14.3
71.04971	2.2
71.05335	1.8
71.08624	6.2
79.05480	23.6
81.03395	1.2
81.07041	92.3
83.04966	2.3
83.08607	12.3
85.06532	4.4
85.10162	2.8
91.05473	18.1
93.07027	24.2
95.04938	3.8
95.08591	100.0
97.06525	6.8
97.10168	6.0
98.20960	0.7
99.08071	4.7
105.06368	1.1
105.07015	11.2
107.08572	14.6
109.06483	3.3
109.10136	39.8
111.08080	4.7
111.11711	1.2
113.09637	3.0
119.08558	10.0
121.10122	19.0
123.08051	2.1
123.11691	17.2
125.09611	1.2
125.13297	0.7
127.11156	1.9
131.04903	0.8
131.08513	1.1
133.10107	13.4
135.11653	9.0
137.09589	2.2
137.13220	7.1
139.11110	0.7
141.09044	0.7
141.12714	2.5
143.06178	0.7
147.11664	9.5
149.13242	8.1
151.11185	1.0
151.14818	6.1
155.14275	2.6
159.10164	4.7
161.13243	9.3
163.14807	6.7
165.12796	0.8
165.16371	8.4
173.11707	0.7
173.13193	0.6
173.92278	0.6
175.14816	7.1
177.16290	2.0
177.29669	0.7
179.14296	1.0
179.17940	4.1
181.15765	1.0
189.05469	1.0
189.16356	3.0
203.17918	1.9
207.06516	2.4
217.19431	1.3
245.22617	34.6
247.11609	1.8
248.12262	1.2
263.14676	13.8
263.20227	4.3
263.23657	86.1
264.23920	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	263.2365
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03932	0.8
55.01862	1.5
55.05501	16.2
57.03416	1.3
57.07066	12.1
65.03925	1.7
67.05491	86.5
68.05839	0.5
69.03413	0.8
69.07055	14.9
69.36507	5.2
71.04981	1.8
71.08620	6.8
79.05479	21.2
81.07040	100.0
82.07381	1.0
83.04958	1.0
83.08602	15.0
85.06532	3.7
85.10164	3.5
88.59501	0.5
91.05460	16.1
93.07026	22.8
95.04951	1.6
95.08588	89.7
96.08923	0.7
97.06514	7.3
97.10149	8.0
98.20716	1.0
99.08076	6.0
105.07008	9.8
107.08566	13.8
109.06502	1.2
109.10136	44.4
111.08058	5.2
111.11698	1.3
113.09615	2.5
117.06966	0.6
119.08559	13.1
119.09361	1.0
121.09220	0.7
121.10120	17.4
123.08041	2.4
123.11681	20.8
123.12581	1.0
125.09574	1.1
127.11163	1.7
131.08554	0.9
133.10103	14.3
135.11662	9.5
137.09549	2.8
137.13226	7.7
139.11133	0.9
141.12737	2.6
147.11658	10.2
149.13234	8.3
151.11179	1.6
151.14789	9.9
153.12709	0.8
155.14302	1.9
159.11749	0.7
161.13226	12.1
163.14793	8.9
165.16362	9.2
167.14302	1.0
173.34172	0.5
175.14767	7.6
177.16367	1.9
179.17918	4.5
181.15865	1.2
189.16341	4.3
191.17818	0.6
193.15851	0.8
200.60330	0.6
203.17917	1.6
205.19540	0.5
207.06487	0.7
207.17389	0.8
217.19530	1.7
221.18918	0.6
245.22601	38.0
246.22789	0.7
263.23654	97.0
264.24017	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2363
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03929	2.2
55.05501	16.8
56.05835	1.4
57.03419	1.8
57.07063	10.4
65.03916	1.6
67.05493	81.3
68.05821	3.0
69.07053	17.0
70.07385	1.1
71.04983	1.7
71.08619	5.4
71.52631	1.4
72.44498	0.9
79.05477	23.5
79.05912	1.6
80.05827	2.8
81.07041	100.0
82.07364	4.3
83.04964	1.5
83.08601	13.8
84.08183	1.1
85.06542	4.4
85.10179	2.6
91.05464	17.4
92.05785	1.7
93.07027	27.8
94.07353	4.7
95.04955	4.1
95.08593	89.4
96.08918	2.9
97.06521	6.2
97.10148	6.7
99.08077	5.9
105.07021	12.6
106.07344	1.2
107.08574	21.4
108.08919	2.9
109.06493	1.5
109.10137	41.5
110.10470	1.4
111.07389	1.0
111.08025	4.7
111.11730	1.3
113.09631	2.9
117.07025	1.5
119.08567	13.1
120.08922	1.3
121.10134	17.1
122.10483	2.9
123.08073	2.8
123.10835	2.3
123.11681	18.5
127.11214	2.1
131.04849	1.1
131.08563	2.1
133.10124	15.1
134.10429	1.7
135.11682	12.2
136.12029	2.4
137.09613	1.6
137.12328	1.5
137.13240	8.1
139.11072	1.2
141.12711	1.8
145.10126	1.3
146.10538	1.3
147.11685	11.4
148.11966	0.9
149.13235	9.7
150.13585	1.9
151.11192	1.8
151.13780	1.3
151.14783	6.2
153.12868	1.0
155.14333	2.1
159.10104	0.9
159.11673	1.2
161.13239	9.1
163.14813	8.1
164.15256	1.4
165.12857	1.1
165.16400	6.9
173.13271	1.3
175.14798	7.2
176.27179	0.9
177.07309	1.0
179.17961	3.6
188.15324	1.1
189.16374	2.8
203.17978	1.5
207.06491	1.5
217.19557	1.4
245.19020	1.3
245.19800	1.6
245.22632	35.7
263.20108	3.2
263.23654	92.7
264.24054	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	263.2
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
53.03934	4.2
55.01864	3.3
55.05500	9.7
57.03413	3.1
57.07061	0.9
65.03934	1.6
67.05492	29.2
69.03436	1.1
69.07056	12.1
69.82180	4.1
71.04974	2.4
77.76416	0.7
79.05479	18.3
81.03403	9.4
81.06574	1.4
81.07043	22.7
83.04966	3.6
83.08612	2.8
85.06528	1.5
91.05468	11.0
91.34768	0.6
93.07027	16.9
95.04966	7.5
95.08591	100.0
96.64768	0.8
97.06518	6.8
98.21009	1.9
105.07020	8.6
107.04933	4.3
107.08585	12.1
109.06508	6.1
109.10159	3.2
111.08037	0.8
113.09610	0.9
117.06991	1.1
119.08578	4.6
121.10097	3.4
123.08051	4.7
123.11710	1.6
129.06955	1.3
131.04910	1.5
131.08578	1.9
133.06462	1.9
133.10164	4.2
135.11740	1.3
137.09607	1.1
137.13187	0.7
141.09097	5.4
145.10097	1.3
147.11647	4.0
149.09619	1.2
149.13217	1.5
151.11121	1.9
157.10106	2.4
159.10141	27.0
159.11513	1.4
189.05473	2.2
193.12228	3.7
197.15395	0.8
207.06541	2.9
245.18988	1.3
263.12781	1.2
263.20026	33.0
263.23514	2.5
270.71246	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2001
Annotation	(Z)-alpha-trans-Bergamotol acetate
Peak:m/z	Relative Intensity
54.96976	2.7
55.05497	11.9
57.03415	6.4
59.97770	3.0
61.99895	3.2
67.05493	30.1
69.03417	6.7
69.07052	18.7
71.04961	5.9
71.55265	4.6
73.70478	2.9
79.05488	25.4
79.45515	3.0
81.07044	68.4
83.08589	8.4
84.08120	4.5
85.02900	6.2
85.06531	23.0
91.05462	19.1
93.07020	60.8
95.04926	8.3
95.07977	3.6
95.08589	75.0
97.06546	5.4
101.05986	5.3
103.05448	5.7
105.06992	38.5
107.08572	70.2
109.06494	6.6
109.10130	24.5
117.07013	6.0
119.08549	30.5
121.06527	3.4
121.10117	38.7
123.08053	4.1
123.11713	6.2
127.07492	5.6
129.07089	3.4
131.04893	15.2
131.08540	14.0
133.10071	20.5
135.11655	14.5
137.09628	6.4
143.08510	10.5
145.10104	25.1
147.11665	32.3
149.09608	4.6
149.13232	64.6
151.11185	5.5
153.12695	3.2
156.09262	4.0
157.10080	10.2
159.10289	4.7
159.11626	6.3
161.05978	5.3
161.13242	9.3
163.11153	3.6
163.14822	4.8
171.11703	13.7
173.13277	5.9
185.13248	11.6
187.14787	9.6
189.05423	11.2
199.14732	4.6
201.16414	15.1
203.10356	3.9
203.17874	6.0
207.06445	38.0
217.15799	5.0
217.19435	6.5
219.17578	4.2
227.17899	43.8
245.18985	47.2
263.12610	16.6
263.20038	100.0
263.22919	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	263.1385
Annotation	L-phenylalanyl-L-proline
Peak:m/z	Relative Intensity
53.03928	0.8
55.01854	0.5
55.05501	6.3
56.05028	0.4
56.05841	2.6
56.82949	0.3
58.99574	3.5
59.99889	0.5
61.01116	0.5
67.05474	1.1
69.03407	0.8
69.07063	0.5
69.99831	1.1
70.06580	33.4
71.55272	0.3
72.08151	0.8
73.02916	0.4
76.03975	1.0
79.05471	1.2
81.03407	0.5
81.07040	1.4
82.06527	0.4
83.04965	0.5
83.08600	2.6
84.04491	0.6
84.08134	11.0
84.08904	3.2
85.02891	0.7
86.09713	1.9
86.99026	2.7
87.99387	0.5
88.02223	0.7
89.11707	0.3
91.05458	1.8
93.07029	2.7
95.04969	1.1
95.08582	1.5
98.06022	0.6
98.09678	1.4
99.04443	1.0
103.05453	5.7
105.07002	0.8
107.04928	0.8
107.08611	0.6
109.02834	0.7
109.06453	0.4
110.07133	0.3
114.05533	0.6
115.05491	0.6
116.01653	7.2
116.07071	81.1
117.02035	4.0
117.05471	0.6
118.01268	0.6
119.08552	0.8
120.08079	100.0
121.02813	0.4
121.08418	0.7
121.10113	0.7
123.04421	0.3
123.08041	0.7
129.06946	0.6
130.06503	1.3
131.04865	0.4
131.08597	0.4
135.08003	0.5
137.05911	0.5
143.04927	0.8
144.01128	3.4
145.01494	2.3
156.08060	1.0
157.06477	0.7
157.07593	1.6
157.10207	0.4
158.06017	0.7
160.05148	0.5
161.05940	1.1
161.07124	0.4
162.02171	6.3
163.02524	5.9
164.01753	0.6
166.15918	1.0
171.04332	0.6
171.07832	0.4
171.11621	0.4
175.07487	1.0
175.08740	1.1
175.11288	0.4
189.05457	1.5
199.07608	0.4
202.08553	0.9
203.06728	1.7
203.10808	0.5
207.06474	1.9
217.05014	0.5
217.08647	1.2
217.13399	0.6
245.09233	1.2
245.12868	1.4
246.11313	0.5
263.09375	1.5
263.13892	22.6
263.24640	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0158
Annotation	Unknow
Peak:m/z	Relative Intensity
69.27045	26.5
69.27475	19.2
70.17313	3.6
74.68464	3.8
80.93552	3.8
84.10964	3.5
88.50785	3.8
148.48795	4.5
150.35974	4.3
204.55185	4.9
263.01602	100.0
263.05127	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	263.0522
Annotation	Unknow
Peak:m/z	Relative Intensity
59.19312	5.1
69.24188	25.8
69.24611	21.7
71.70975	3.8
85.05836	3.8
93.95551	4.0
94.34621	4.1
98.21529	9.6
118.97163	5.2
133.51007	5.4
196.66576	5.1
263.01599	100.0
263.05170	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.5
53.03926	1.6
55.05502	8.8
57.03424	1.0
57.07062	3.1
65.03921	1.5
67.05491	26.6
67.74713	0.3
69.07055	7.9
69.54910	0.3
70.58357	0.3
70.98947	0.8
70.99301	0.5
71.04980	1.3
71.08613	1.3
77.03911	0.7
79.05476	37.9
79.91655	0.3
81.07040	30.9
83.04966	0.7
83.08602	4.8
85.06524	2.7
91.04886	0.6
91.05462	17.7
93.07024	53.1
95.04960	2.4
95.08587	24.0
96.02074	0.4
97.06530	1.9
97.10150	2.7
99.08064	2.6
103.05446	0.4
105.04477	0.8
105.07009	12.1
107.08570	33.9
109.06492	1.3
109.10133	9.9
109.10898	0.4
111.08084	1.9
111.11659	0.7
113.09627	0.6
117.06990	5.0
119.06052	0.4
119.08556	9.0
121.10120	31.9
123.08031	1.1
123.11705	3.1
125.09602	0.7
129.07045	0.4
131.08539	10.6
133.10101	9.4
135.11664	25.4
137.09605	0.7
137.13216	1.2
139.11165	0.7
145.10097	10.5
147.11659	8.8
149.09590	0.4
149.13225	20.5
151.14801	0.6
153.12733	0.6
159.11656	7.1
161.13214	8.2
161.14557	0.4
163.11121	0.5
163.14786	14.6
165.12738	1.2
173.13235	7.9
175.14809	3.1
177.12740	0.6
177.16336	3.6
179.14265	0.8
187.14789	4.6
187.30327	0.3
189.16391	0.5
191.14238	0.5
201.16322	2.6
203.17805	0.5
205.15851	0.5
215.17932	1.1
219.17369	1.0
233.22629	0.8
243.18442	0.5
243.21030	22.6
261.22076	100.0
262.22321	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2208
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02349	0.7
53.03923	2.4
54.55599	0.5
55.01867	0.7
55.05503	11.4
56.17604	0.5
57.03421	0.7
57.07068	2.7
65.03911	1.4
65.74039	0.5
67.05496	31.7
69.03385	0.6
69.07059	11.3
71.04976	2.3
71.08603	1.6
77.03894	0.5
79.05482	42.0
81.07043	39.8
81.07484	0.8
83.04943	1.2
83.08595	5.9
85.06539	3.1
85.10131	0.6
91.05467	21.7
93.07029	60.5
94.21530	0.5
95.04958	3.6
95.07973	1.1
95.08593	28.0
97.06496	2.4
97.10168	3.3
99.08047	2.0
105.07010	14.9
107.08577	39.6
107.24152	0.6
109.06482	1.8
109.10136	11.1
111.08062	2.6
113.09663	1.2
117.07003	5.3
119.08560	12.3
121.10123	35.2
123.08044	1.1
123.11690	3.8
125.09612	1.1
130.07706	0.5
131.07599	0.8
131.08551	11.4
133.10107	10.5
135.11667	27.7
137.09598	0.7
137.13222	1.3
139.11194	0.8
143.73125	0.6
145.10095	11.8
147.11673	10.1
149.13231	19.6
151.11194	0.9
151.14728	0.6
153.12688	1.1
157.09917	0.6
159.11670	10.0
161.13223	9.0
163.14781	15.3
163.16110	0.9
165.12743	1.4
173.13225	9.3
175.14769	3.4
177.12585	0.7
177.16402	4.3
179.14340	1.3
180.77545	0.5
187.14798	6.1
189.16301	1.1
201.16345	2.1
205.15874	0.8
215.17924	1.1
219.17487	0.8
233.22627	1.7
241.38466	0.5
243.21057	24.0
261.22092	100.0
262.22366	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.5
53.03930	1.0
53.07317	0.3
55.01859	0.4
55.05497	8.2
57.03426	1.2
57.07056	2.4
57.25213	0.3
65.03925	1.0
67.05489	25.8
69.07051	8.8
69.33797	2.5
71.04981	1.6
71.08620	0.9
75.69852	0.2
77.03909	0.7
79.05474	36.4
81.07037	32.7
83.04957	0.4
83.08135	0.4
83.08604	5.1
85.06525	2.5
89.43803	0.3
91.05458	18.3
93.07021	52.1
95.04940	2.6
95.08588	24.3
95.09223	0.4
97.06501	2.6
97.10168	1.9
99.08068	2.8
103.05462	0.4
105.04498	0.5
105.07008	11.9
107.08569	33.1
109.06488	1.5
109.09371	0.3
109.10132	10.0
111.08057	2.1
111.11655	0.7
113.09612	0.9
117.06986	4.7
119.08553	11.2
119.93594	0.3
121.10114	30.4
123.08038	1.1
123.11674	3.4
125.09602	0.7
127.11157	0.7
127.19132	0.3
130.07820	0.3
131.08536	10.2
133.10095	8.8
135.11659	23.8
136.11923	0.4
137.09584	1.3
137.13216	1.1
139.11140	0.5
145.10085	10.4
147.10471	0.5
147.11653	8.8
149.09590	0.6
149.13223	19.5
151.11177	0.7
151.14771	0.5
153.12694	0.7
157.10226	0.3
159.11649	7.2
161.12196	0.2
161.13214	8.3
163.14784	15.4
165.12726	0.9
173.11723	0.4
173.13225	7.5
175.14804	3.6
177.12767	0.6
177.16339	4.5
179.14272	1.1
187.14772	5.9
189.16364	0.6
193.15849	0.3
201.16298	2.0
203.17860	0.5
205.15796	0.6
215.17891	1.1
217.19423	0.6
219.17416	0.8
233.22641	0.9
243.21030	26.7
261.22070	100.0
262.22391	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2208
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02371	0.3
52.67949	0.2
53.03711	0.2
53.03926	1.3
55.01857	0.7
55.05227	0.4
55.05497	7.9
55.66502	0.2
57.02266	0.2
57.03428	1.0
57.07067	2.6
58.99446	0.2
60.35194	0.2
65.03915	1.0
67.05491	25.8
69.06673	0.4
69.07053	8.3
69.29838	2.0
71.04987	1.5
71.08618	0.8
77.03925	0.6
79.05477	36.0
80.05784	0.2
81.03458	0.3
81.07039	31.4
82.57085	0.2
83.04964	0.8
83.08602	4.7
85.06525	2.9
85.10176	0.3
88.90112	0.2
91.05460	15.9
93.07023	50.1
95.04940	2.8
95.08587	23.4
95.09235	0.3
97.06505	2.1
97.10150	2.1
99.08071	2.4
105.04486	0.8
105.07009	12.3
107.04917	0.5
107.08570	32.1
108.08874	0.2
109.06513	1.6
109.10137	9.3
111.08048	2.0
111.11724	0.4
113.09619	1.0
115.05485	0.2
117.06990	3.8
119.06104	0.4
119.08559	10.7
121.10118	29.5
123.08035	1.1
123.11691	3.1
125.09606	0.9
127.11140	0.3
129.06998	0.3
131.08539	8.9
133.09093	0.5
133.10101	9.4
135.11664	24.8
137.09576	0.9
137.13255	1.1
139.11163	0.5
143.08528	0.3
145.10089	9.4
147.11656	8.3
149.09555	0.6
149.13231	18.3
151.11142	0.6
151.14792	0.4
153.12689	0.7
159.11664	7.3
161.13223	8.3
163.11160	0.7
163.14787	14.0
165.12708	0.7
171.11847	0.3
173.13231	8.0
175.14789	3.6
177.12741	0.4
177.16364	3.4
179.14279	1.0
187.14781	5.3
189.16289	0.7
191.14232	0.5
195.60094	0.2
201.16335	2.6
203.17926	0.5
205.15782	0.6
211.47401	0.3
215.17928	1.3
217.19409	0.4
219.17424	0.8
233.22571	0.9
243.21034	24.8
244.21390	0.3
261.22073	100.0
262.22418	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2208
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
50.01574	0.2
51.02359	0.2
52.06281	0.2
53.03926	1.2
54.69750	0.2
55.01871	0.5
55.05500	9.2
57.03427	1.1
57.07067	3.5
65.03936	0.9
67.05491	30.0
69.07053	8.9
71.04981	1.5
71.08621	1.1
71.68398	0.2
77.03912	0.4
79.05477	39.6
80.26268	0.2
81.03458	0.2
81.07040	33.8
83.04969	0.8
83.08604	4.9
85.06518	2.7
91.05463	19.3
93.07026	54.7
94.07394	0.4
95.04948	3.6
95.08588	25.2
97.06506	2.7
97.10150	2.3
98.21628	0.3
99.08071	2.4
105.04522	0.5
105.07009	12.8
107.04929	0.5
107.08572	36.3
109.06493	1.4
109.10137	10.9
111.08057	2.1
111.11690	0.4
113.09618	1.1
117.06998	4.7
119.06020	0.3
119.07684	0.3
119.08560	10.6
121.10121	31.1
123.08036	1.1
123.11678	3.5
125.09608	1.3
125.75605	0.2
127.11179	0.4
129.07022	0.6
130.07770	0.4
131.08543	11.0
133.10101	10.0
135.08025	0.7
135.11667	26.6
137.09552	1.2
137.13177	1.2
139.11145	0.6
145.10092	10.7
147.11652	8.0
149.13229	22.1
151.11159	0.8
151.14803	0.9
153.12712	0.5
158.59882	0.2
159.11661	6.9
161.13226	9.0
163.11211	0.4
163.14789	15.5
165.12723	1.1
165.16434	0.3
167.14284	0.3
171.11617	0.3
173.13225	9.0
175.14818	3.3
177.12689	0.4
177.16351	4.2
179.14279	1.4
182.45738	0.2
187.14771	5.8
189.16353	0.8
193.08656	0.2
193.15746	0.3
201.16341	2.3
203.17940	0.4
205.15785	0.4
215.17950	1.5
217.19449	0.5
219.17444	0.6
233.22589	1.3
243.21034	25.5
244.21364	0.4
261.22079	100.0
262.22427	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	261.1844
Annotation	(-)-Tochuinyl acetate
Peak:m/z	Relative Intensity
53.03938	1.3
55.01852	1.4
55.05500	12.7
57.07050	1.0
59.04973	1.8
62.56693	0.7
67.05492	6.9
69.03426	0.8
69.07049	7.3
70.06155	3.8
70.68082	0.7
71.04966	2.8
79.05473	6.8
81.07038	25.4
83.04946	3.1
83.08577	1.4
85.06508	2.9
91.05454	10.7
93.07031	19.6
95.04957	1.2
95.08589	12.3
97.06522	1.6
99.04438	6.9
101.06003	6.6
103.05462	1.5
105.07009	61.2
107.08571	21.4
109.06489	1.6
109.10130	8.2
114.77313	0.7
115.05482	0.8
117.06974	2.8
119.08556	61.3
121.10114	30.0
123.08039	1.4
123.11637	1.5
127.07509	0.9
131.08516	6.7
133.10092	11.3
135.07999	1.6
135.11639	1.9
143.08540	3.5
144.09290	1.1
145.10089	27.1
146.10884	1.1
147.11656	63.7
149.09587	1.6
153.09082	1.9
153.17537	0.8
157.10107	3.9
159.08035	1.0
159.11664	11.6
160.12390	2.1
161.09518	1.3
161.13210	8.6
165.09154	1.0
167.10611	2.5
169.10091	8.3
171.11586	3.6
173.09564	1.6
173.13200	5.1
175.11102	1.0
181.12154	1.2
183.10233	0.7
183.11661	4.3
186.13933	0.8
187.11087	3.6
187.14803	0.9
191.10521	0.9
197.13213	3.2
199.14777	2.6
201.12691	3.7
201.16360	13.6
202.12123	1.0
203.13011	2.2
205.12198	2.9
206.08093	1.2
215.10678	0.8
215.14256	1.7
215.17917	2.3
225.16360	11.7
243.13374	2.7
243.17432	9.4
244.12740	1.5
246.11230	5.1
247.11992	3.9
261.18445	100.0
262.14319	39.2
262.18607	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	261.1441
Annotation	CHEBI:73506
Peak:m/z	Relative Intensity
52.32627	0.6
55.01841	2.2
55.05487	1.0
56.05029	6.2
57.03425	0.8
58.99563	0.6
60.04490	0.8
67.05483	2.5
68.99767	0.9
69.03419	0.8
69.07035	2.3
69.82868	4.2
70.06580	4.4
71.01316	0.7
72.08141	3.6
73.02901	1.1
74.06046	0.7
81.03372	1.0
81.07021	0.7
82.06576	0.9
84.04490	100.0
84.08125	7.2
85.02885	7.9
86.06063	1.3
86.09691	89.4
87.02695	0.8
87.04459	0.8
87.10010	2.3
91.05463	2.6
93.07020	0.7
95.01308	7.3
95.04951	1.2
97.02862	1.0
98.97543	0.7
98.98465	2.0
102.05525	18.1
103.05420	1.0
104.05322	1.0
105.07008	1.1
105.46323	0.7
107.04935	1.4
110.06042	1.0
110.07154	0.8
111.04460	0.6
115.05431	1.5
116.07050	0.9
117.07020	1.7
119.04917	4.1
120.08086	0.7
121.02876	1.8
123.04429	1.1
127.03923	1.4
129.06546	4.4
129.10263	1.1
130.05051	1.0
130.06506	6.9
130.08627	1.0
131.04933	1.8
131.08514	1.0
132.04694	1.0
132.10179	47.5
133.06503	2.5
136.07579	1.1
138.05490	6.8
140.06100	1.1
140.07077	1.1
141.01820	1.4
141.06723	4.4
143.11830	0.9
144.12193	1.9
145.06451	9.2
145.07481	0.9
147.04428	5.4
149.06035	0.8
152.61087	0.9
153.07050	0.9
155.06039	1.3
155.08195	0.7
157.06520	1.7
157.07681	2.0
158.05974	7.1
159.04483	1.0
159.08113	1.9
160.08676	7.4
161.05989	1.5
164.14424	1.2
169.06540	2.5
169.13414	1.1
171.03120	1.1
171.04289	3.4
171.08064	1.2
172.02350	2.8
172.04376	2.1
173.05954	10.7
175.03922	1.1
175.08730	1.2
177.05521	0.9
185.06067	2.2
187.07552	2.0
187.08904	1.6
189.05527	1.0
197.05949	11.6
197.12820	51.6
198.06451	0.7
198.13304	1.0
199.07620	2.7
201.05370	7.2
215.06964	14.5
216.07657	3.3
216.12350	0.7
217.05193	0.7
219.06377	3.6
225.05658	1.4
225.12276	6.6
233.04486	0.8
233.09213	5.2
233.13026	1.1
243.06519	7.2
243.09731	1.9
243.13356	70.9
244.06569	0.9
244.13881	1.5
246.16283	0.6
261.04160	1.2
261.09534	4.6
261.12585	2.3
261.20108	0.8
284.16586	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.09
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.6
56.02204	0.5
56.05030	1.9
56.31363	0.5
56.96550	1.7
57.03419	0.6
57.07053	0.7
58.99563	3.0
65.03949	0.5
67.04222	0.5
67.05492	7.0
68.05022	2.3
69.03434	2.0
69.07058	61.1
70.01713	1.9
70.02128	0.9
70.06583	6.9
71.04977	0.8
72.08142	2.9
73.02887	0.9
74.02454	0.5
76.00227	0.9
76.02253	0.5
80.87357	0.5
82.06595	0.9
84.04493	14.6
84.08129	16.5
85.02892	2.3
85.04843	0.5
85.08468	2.5
86.06052	9.4
86.09692	30.4
87.05586	0.5
87.06416	0.8
88.02221	0.6
88.03983	1.3
91.05476	1.6
92.72173	0.5
93.07037	0.9
94.06567	0.7
95.01332	1.1
95.04988	1.2
96.04492	0.9
96.08087	0.6
97.02853	1.2
98.06024	1.0
98.21422	0.6
98.97568	1.2
98.98489	1.6
99.02659	6.6
100.02201	2.3
100.07629	0.6
101.00850	4.0
101.02548	0.9
101.04224	9.5
102.01768	9.3
102.05526	2.3
104.05344	0.8
105.06986	0.5
110.06035	2.9
110.07165	1.5
111.02586	0.5
111.09212	0.7
112.03916	1.1
112.07616	2.5
113.00846	1.4
114.05521	1.6
115.02407	2.5
116.07055	1.0
116.98596	1.0
117.03983	1.1
119.01896	8.2
119.04927	1.8
122.02708	0.5
123.04402	1.0
124.07562	1.1
125.07087	1.2
126.05522	0.7
126.12776	1.1
127.02122	11.6
127.05765	0.6
129.06580	0.7
129.10228	3.1
130.04993	1.6
130.06509	2.2
130.08615	4.4
130.10544	1.4
131.01871	8.9
131.06874	0.9
132.10164	5.9
133.03444	5.2
134.99643	0.6
135.05020	1.8
136.07576	6.2
137.02911	1.7
137.06046	0.7
138.01599	0.6
138.05447	0.7
140.07042	85.7
141.03909	0.6
142.04976	0.7
143.01875	2.0
144.13806	3.9
145.03458	5.6
145.06467	0.7
146.02664	2.0
147.01379	0.6
147.04349	0.6
147.11276	1.7
148.02216	11.0
148.06046	3.7
148.11656	0.5
149.02895	1.9
151.04527	0.6
155.01845	5.9
156.02641	1.9
157.03450	2.3
157.07576	1.3
158.05981	1.6
158.08009	1.0
158.99644	0.6
159.05031	5.4
161.02953	3.3
163.04434	2.1
165.05441	0.8
170.06354	0.9
171.04996	7.0
172.04247	100.0
173.01501	1.0
173.02936	5.9
173.04395	0.9
173.06601	1.5
175.04478	1.7
177.00632	0.6
177.06070	3.4
179.04070	0.5
180.04791	0.8
182.08073	0.7
185.02902	1.1
187.04471	4.2
189.06050	4.5
191.03972	1.1
197.05864	0.8
197.07510	0.7
197.12811	5.9
198.05812	2.6
201.02400	1.3
201.06010	2.5
203.03976	5.0
205.05522	1.8
209.12868	2.7
210.13112	1.0
211.10760	1.2
213.06087	1.0
215.03970	2.3
215.06548	2.7
215.08463	5.8
219.01601	1.3
219.03545	1.3
219.07083	0.7
221.05032	16.8
225.12352	1.5
226.15508	2.8
233.05072	1.0
237.02740	0.7
239.06116	0.7
243.07127	1.9
243.13318	8.3
244.06342	21.4
249.12271	0.7
251.27658	0.6
261.05676	3.2
261.08380	32.4
261.14694	4.1
261.18079	2.8
261.20282	1.0
279.09167	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	261.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30756	0.5
52.65085	0.6
55.01866	4.2
55.05521	0.6
56.05030	0.8
64.87962	0.5
67.05511	0.9
68.99782	1.0
69.03429	1.0
69.07063	1.3
70.06582	3.7
71.01358	0.7
71.54720	1.1
72.08139	2.5
74.02428	9.5
77.25080	0.6
79.05477	1.2
81.07027	0.9
84.04478	3.1
84.08109	3.7
85.02895	3.3
85.80771	0.5
86.09692	18.8
88.03968	0.8
88.42747	0.5
91.05489	1.3
93.07035	1.9
94.07408	0.7
95.01318	9.6
95.04961	0.8
95.08584	1.3
96.08064	0.5
96.08930	0.8
97.02873	1.4
97.06451	0.5
102.05538	1.4
103.05427	1.1
105.07010	2.4
107.04906	1.3
109.06481	0.7
110.07185	1.1
111.57236	0.6
115.03922	0.6
115.05420	4.5
116.07063	1.1
117.06998	2.5
117.52579	0.6
118.06532	4.6
119.04927	4.6
120.08082	2.5
121.02846	2.7
123.04401	0.8
128.06201	0.9
129.05452	0.6
129.06940	1.1
129.10207	1.2
130.06514	9.0
131.04886	2.9
131.08548	1.6
132.04388	1.0
133.06471	9.0
136.07541	1.5
138.09146	1.5
141.06958	3.0
142.06506	16.8
144.05635	1.1
144.08054	1.9
145.06453	13.4
145.07590	25.6
146.05986	0.7
147.04390	6.3
147.08005	0.9
148.06013	2.5
150.05772	1.3
155.05986	0.9
157.06464	3.1
157.07501	2.8
158.05995	8.0
159.04361	0.9
159.08031	2.2
160.07568	2.0
161.05911	2.9
163.03835	0.9
167.08173	1.3
169.06436	2.8
170.05986	85.6
171.04370	4.0
171.07948	1.2
173.05952	16.5
173.07317	1.3
175.03886	2.0
175.08676	1.5
185.05925	2.2
187.07510	2.7
188.07034	100.0
189.05472	1.4
189.07327	0.8
197.05936	15.6
199.07457	2.9
201.03719	1.2
201.05435	13.2
215.03726	0.7
215.06979	15.5
217.09683	2.7
219.06506	4.7
225.05386	1.2
243.06454	9.8
261.07394	5.1
261.13068	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	261.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	4.2
55.05492	1.1
63.71495	0.8
67.05484	1.2
69.03399	0.9
69.59138	5.8
70.06566	2.2
72.08147	3.8
72.84538	0.7
73.02889	0.9
74.02434	7.9
82.06552	2.3
84.04488	1.7
84.08112	2.2
85.02892	4.2
86.09698	3.6
88.55129	0.7
91.05432	3.6
93.06963	0.8
95.01312	13.9
95.01864	0.5
95.04929	0.6
95.08565	0.9
97.02883	1.4
103.05441	2.2
105.06999	2.1
107.04875	0.9
115.03898	1.3
115.05424	7.0
117.07001	3.8
118.06499	5.7
119.04911	10.4
120.08070	1.0
121.02836	6.0
123.04403	1.3
123.08024	1.6
123.35665	0.7
127.03893	0.8
128.06155	2.1
128.07002	0.7
130.06503	13.1
131.04887	3.8
131.08528	1.3
132.04420	2.7
132.10204	2.0
133.06477	7.6
141.01840	1.2
141.06998	4.4
142.06494	19.6
143.08522	1.1
143.22490	0.9
144.05722	1.4
144.08017	1.5
145.06442	21.1
145.07576	26.2
146.05995	1.9
147.04381	14.6
147.08084	1.0
149.05940	1.0
153.06973	1.4
155.05989	1.4
157.06448	5.9
157.07608	4.8
158.05994	13.4
159.04372	1.5
159.08028	4.7
160.07550	2.7
161.05949	3.9
163.03854	2.3
168.38351	0.8
169.06392	3.5
170.05978	89.7
171.04356	6.9
171.05650	1.1
171.08054	2.7
173.05937	20.0
173.07065	1.0
175.03865	8.3
175.08655	1.9
181.06433	1.8
184.05104	1.5
185.05981	4.1
187.03899	1.0
187.07491	6.4
188.07027	100.0
189.05426	2.6
189.07356	1.1
197.05931	23.3
197.07648	1.6
199.07471	6.3
200.07140	1.0
201.05403	11.6
215.06984	24.4
217.04927	1.0
217.09724	2.3
219.06485	16.0
225.05444	1.1
231.06483	1.6
233.08138	1.1
243.06418	11.9
261.07440	10.7
261.11560	1.4
261.15070	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0752
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85592	0.9
55.01857	3.5
55.05503	1.8
70.06573	2.4
70.86036	2.0
72.08136	3.8
73.02945	1.2
74.02431	10.4
78.47697	0.9
81.07074	1.3
82.06565	2.2
83.06892	1.7
84.04490	1.0
84.08132	1.4
85.02884	6.5
86.09695	4.5
91.05480	4.5
93.07005	1.4
95.01309	14.6
95.04967	1.4
95.08604	1.1
103.05429	1.4
105.07021	2.6
107.04922	1.2
111.04372	1.1
112.50117	0.8
115.05411	8.3
117.06999	3.3
118.06532	4.5
118.07230	0.9
119.04922	10.1
120.08124	1.7
121.02844	7.0
123.04404	1.5
127.03856	0.9
128.06163	1.5
128.07045	1.4
130.06497	12.5
131.04887	4.5
131.08513	2.5
132.04460	2.2
132.10184	1.9
133.06450	7.9
138.09102	1.1
141.01801	1.2
141.06940	4.0
142.06499	18.7
143.08496	1.1
144.05682	1.6
144.08063	2.1
145.06458	20.4
145.07594	28.1
145.37694	0.9
146.05984	1.6
147.04372	17.0
153.06964	1.6
155.06012	1.8
157.06458	6.3
157.07622	4.1
158.05992	11.7
159.04398	2.7
159.08038	3.8
160.07530	2.1
161.05942	4.4
163.03885	3.2
164.85069	0.9
169.06419	4.8
170.05975	88.1
171.04356	6.5
171.05608	1.4
171.08095	2.3
173.05939	22.7
173.07292	1.4
175.03864	9.7
175.08620	1.0
177.05392	1.8
181.06422	3.0
184.05193	2.0
185.05933	5.4
187.03841	1.0
187.07483	5.4
188.07024	100.0
189.05403	3.9
193.04811	1.1
197.05946	27.1
199.07489	6.4
201.05409	15.1
215.06979	26.8
217.07675	0.8
217.09720	2.3
219.06473	20.8
225.05489	1.4
231.06548	1.5
243.06393	11.2
261.07477	12.5
261.12262	1.3
261.15198	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	261.0753
Annotation	3-acetonyl-1,6,8-trihydroxy-2-naphthaldehyde
Peak:m/z	Relative Intensity
55.01863	19.1
55.05501	2.6
57.03431	1.4
57.35840	1.4
60.23872	1.4
65.03931	3.7
67.05467	2.3
68.99780	8.5
69.03406	2.6
69.07044	4.7
69.87868	2.9
69.88281	5.2
70.06582	9.6
71.01344	8.4
71.05016	2.4
72.08133	5.4
79.05470	4.3
81.03398	2.3
81.07027	2.6
84.04485	2.3
84.08128	12.7
85.02871	8.2
86.09697	14.9
91.05459	13.6
93.07022	3.4
95.01313	61.1
95.04942	3.4
95.08604	2.3
97.02886	4.6
103.05454	4.7
104.24424	1.7
105.07003	9.7
107.04935	8.1
110.07156	3.0
111.04470	1.8
111.77306	1.8
115.03886	4.6
115.05457	9.5
116.07073	2.6
117.07003	14.7
119.04925	23.2
119.08577	2.5
120.08104	2.9
121.02850	18.0
121.06417	1.6
123.04404	5.4
123.08035	2.1
127.05437	1.8
128.06248	4.0
129.06940	2.1
129.10245	3.2
130.06511	30.1
131.04913	16.4
131.06868	2.2
131.08571	5.6
132.04460	4.1
133.06471	41.1
136.07565	5.8
138.09106	6.4
141.06978	17.8
141.77196	1.7
142.06506	2.8
143.08539	2.7
144.05682	5.6
145.06474	76.6
145.07565	6.6
146.05937	3.2
147.04387	36.8
147.08040	4.2
149.05904	4.0
149.60945	1.6
152.06227	1.9
153.06955	3.1
153.34450	1.7
155.04907	3.3
155.06039	8.5
157.06464	14.5
157.07622	7.9
158.05995	23.4
159.04382	7.2
159.08002	13.0
160.05133	1.8
161.05951	11.1
163.03917	8.0
169.06450	19.3
169.07660	2.6
170.05974	16.4
170.07275	2.3
171.04338	17.5
171.07948	8.5
173.05949	94.5
175.03903	15.3
175.08696	3.2
181.06462	3.8
184.05179	4.3
185.05919	12.4
187.03836	2.0
187.07465	13.7
188.07034	21.2
189.05495	8.5
191.07001	2.0
193.05060	2.0
197.05948	92.3
199.03897	4.4
199.07509	22.2
200.04617	3.0
201.05417	72.3
207.10236	2.1
215.06995	100.0
217.04958	5.5
219.03160	1.8
219.06483	31.4
225.05374	9.8
243.06471	65.0
261.07477	26.4
261.12540	7.5
261.14896	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	259.19
Annotation	Dibutyl adipate
Peak:m/z	Relative Intensity
52.64286	0.8
53.03926	1.5
55.01865	4.3
55.05502	44.0
57.03428	22.8
57.07066	7.5
59.04983	1.3
66.14773	0.8
67.05492	15.4
69.03415	4.1
69.07055	51.8
71.04984	6.5
71.08602	3.7
71.22487	2.0
73.02901	0.9
73.06522	2.1
74.65041	0.8
79.05479	9.6
81.03378	1.2
81.07041	23.9
83.04948	2.5
83.08605	53.8
85.02879	1.3
85.06534	6.9
87.08047	0.9
91.05473	5.4
93.06487	1.4
93.07030	21.4
95.04944	1.0
95.08587	10.6
97.02834	2.7
97.06511	18.6
97.10146	14.4
99.08068	2.4
101.05981	2.6
105.06993	3.4
107.08574	16.3
109.10135	7.8
109.74990	0.7
111.08054	10.4
115.07503	2.7
117.06999	1.0
119.08549	3.3
120.67562	0.7
121.10130	10.4
123.11670	2.6
125.09605	4.8
125.13229	2.1
129.09058	1.4
131.08514	2.0
133.10089	2.6
143.08574	1.0
145.10043	2.6
147.08034	1.1
147.11652	1.8
149.13232	37.4
157.10086	1.6
159.11610	1.9
161.13115	0.9
167.13022	1.2
167.14304	18.3
171.11632	1.7
185.13203	1.6
185.15303	2.6
196.11128	0.9
199.14706	1.9
201.16339	2.6
230.84119	0.9
241.17821	2.3
248.67416	0.9
259.18948	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2051
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
53.71917	1.9
55.05505	12.4
57.07059	4.5
61.75974	2.0
67.05489	10.0
69.03405	2.4
69.07059	40.6
69.81612	1.9
71.04981	30.1
71.24994	4.8
71.25356	2.3
79.05462	8.5
81.07037	19.0
83.04951	6.9
83.08598	7.3
85.06525	23.9
91.05457	11.7
92.70132	1.9
93.07034	16.9
95.04929	7.1
95.08597	18.3
97.06519	6.5
105.03372	8.9
105.07002	26.9
107.08571	23.5
109.06499	10.7
109.10124	17.6
111.08045	18.5
117.06990	9.1
119.08565	63.4
121.10124	13.4
123.08093	4.2
123.11677	24.4
129.01776	5.6
129.06961	3.3
130.07784	3.3
131.08540	8.9
133.10109	40.2
135.08037	21.7
135.11644	6.6
137.09576	6.6
142.07710	2.3
143.08533	8.7
145.10100	34.3
147.11661	18.6
149.09587	4.3
156.09334	3.0
157.10103	13.8
159.11674	36.6
160.12360	2.6
161.13225	40.0
163.11143	3.6
171.11702	20.0
173.13229	10.4
175.14789	100.0
176.15509	5.8
177.12680	5.9
177.16299	6.0
185.13197	15.9
189.12656	5.0
189.16325	6.4
190.13455	2.8
199.14766	3.1
201.16351	27.9
203.14255	8.5
215.17938	3.5
217.19548	3.9
241.19470	23.2
259.11252	3.8
259.20511	89.4
260.20630	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0304
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35744	3.1
56.96559	4.2
57.03445	3.7
60.04534	3.7
66.43164	3.0
67.40842	3.4
68.22865	3.5
69.03401	2.9
71.50488	4.1
71.50841	4.8
79.99035	4.0
81.03410	7.0
84.08136	32.4
85.02945	3.7
97.02901	4.9
98.97570	10.4
109.02863	4.1
113.36980	3.1
116.98592	4.7
119.01913	7.9
125.90818	3.4
129.10237	9.4
134.99680	4.4
147.11205	3.4
147.99883	3.5
157.00461	3.3
171.00066	5.0
177.00935	16.1
180.00748	4.3
182.55849	6.4
199.01506	9.5
208.02069	10.9
214.96368	12.6
217.02545	12.8
217.52600	4.2
219.01997	17.8
226.03082	10.1
229.02597	11.3
229.52615	3.7
232.96614	14.6
237.97391	10.6
243.01749	4.1
244.12790	3.6
249.00169	5.2
255.98131	5.0
256.96567	16.9
261.03015	100.0
261.05667	5.9
261.15536	12.3
262.03296	4.5
268.97668	3.9
274.97647	6.7
279.98260	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	261.06
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.0
55.05484	0.7
55.31639	0.5
56.05029	1.4
56.96554	0.5
57.03423	1.1
61.02924	0.9
68.05029	0.5
69.03410	1.8
69.07053	1.7
70.06585	1.6
70.71142	0.5
70.79424	1.0
70.79747	0.9
71.01349	0.9
71.04974	0.5
72.08138	1.7
72.93803	0.6
77.27157	0.5
79.05470	0.7
81.07057	0.9
82.57156	0.6
84.04491	5.2
84.08129	4.3
85.02888	100.0
85.06550	0.6
86.06060	1.1
86.09199	1.1
86.09688	13.2
86.98962	0.5
87.04440	0.5
87.61082	0.5
88.03988	0.8
91.05466	1.5
95.01310	16.0
95.04906	0.7
95.08613	0.6
97.02872	1.8
98.09692	1.1
98.98447	1.4
102.05511	1.1
110.07145	0.6
113.02354	1.0
115.05450	0.8
116.10709	1.7
117.06974	0.8
119.04933	2.6
119.08577	0.7
120.08070	0.6
123.08050	0.9
126.89879	0.5
127.03895	12.8
130.04999	1.2
130.06494	7.3
130.08598	0.6
132.04465	1.0
132.10176	4.6
133.06464	1.3
136.07492	0.7
141.01799	28.9
141.07068	0.6
145.04889	0.6
145.06482	2.4
145.07526	0.7
147.04355	2.9
148.06038	0.8
149.02365	0.7
157.06422	1.2
157.07613	2.8
158.05972	6.5
159.02855	0.8
159.08051	0.6
161.05957	0.6
164.14279	0.8
167.08189	0.9
169.06497	0.8
171.07896	0.6
173.04546	0.9
173.05888	4.4
174.05522	0.9
175.08749	0.7
177.05540	0.6
183.02847	3.4
187.07475	1.1
197.05974	3.2
199.07579	0.6
201.03824	5.6
201.05461	1.4
212.55106	0.5
215.06964	4.7
219.06465	0.9
225.09468	0.6
243.06450	2.8
243.10391	1.0
244.11848	0.6
261.07727	0.7
261.12238	0.9
261.14783	1.1
261.18069	1.3
261.22321	1.1
269.94635	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0481
Annotation	Unknow
Peak:m/z	Relative Intensity
71.51904	5.3
90.30115	2.5
126.75900	3.1
186.57907	2.8
209.11893	2.9
245.79660	2.5
261.04807	100.0
261.92676	5.2
279.44083	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0744
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74203	0.4
59.99093	0.7
65.03918	3.4
67.05491	24.0
67.53723	0.4
67.96028	0.5
69.84484	0.4
69.90992	2.3
70.06583	0.5
72.08144	0.5
74.02428	1.5
76.35914	0.4
80.05022	0.7
81.05771	0.7
82.06596	0.6
84.04501	2.2
84.08137	1.1
86.09695	0.8
92.04988	0.5
93.03397	1.2
95.04950	10.1
97.01100	1.4
98.20822	0.5
99.02660	4.7
101.80023	0.4
108.04442	0.7
109.05206	1.7
110.06021	1.3
113.98901	0.5
114.03715	2.4
115.05215	0.4
120.04443	1.1
124.02154	2.8
125.00562	3.4
127.02115	3.1
130.04976	0.9
130.08614	1.0
138.05473	79.8
139.05791	0.5
142.03204	3.7
152.01619	4.6
153.00035	2.5
168.04767	3.7
170.02676	100.0
171.03058	0.7
191.41785	0.5
196.04166	0.8
213.06905	3.8
242.04784	15.1
259.07455	9.7
259.09766	0.3
259.12943	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38804	0.6
54.90101	0.6
56.05025	3.3
65.18568	0.7
66.95339	0.6
67.05489	4.6
69.03419	2.6
70.06596	0.7
70.81326	1.9
70.81707	0.9
71.24784	0.6
74.02430	99.6
81.45605	0.6
84.04493	100.0
84.08134	4.3
85.02910	2.1
86.09722	1.4
95.04952	3.3
95.46239	0.6
97.02845	1.2
99.02699	1.2
100.07626	1.2
102.05527	2.8
113.05985	3.2
128.80630	0.7
130.04984	45.6
130.08621	56.7
133.36761	0.8
138.05478	14.0
150.09119	17.9
168.10143	0.9
169.08551	3.5
170.02676	17.8
187.53209	0.7
196.09674	21.1
213.05464	1.9
213.07161	1.0
241.11835	2.5
242.04773	2.4
242.10191	9.4
255.61537	0.7
259.07373	2.5
259.12866	77.5
260.12952	1.6
260.75623	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	1.6
56.96545	0.7
57.03417	0.8
67.04221	0.3
69.03410	0.7
70.06589	0.8
70.15136	1.2
72.08139	0.5
74.00667	0.7
82.06567	0.5
83.06097	1.1
84.03741	0.4
84.03970	0.7
84.04490	19.9
84.08128	74.4
85.02888	0.6
85.06536	0.8
85.08452	0.4
86.09700	1.2
88.02212	0.4
91.05453	0.5
93.04549	0.4
95.06089	2.0
97.02865	1.2
100.02184	12.1
101.10752	1.9
102.05540	0.4
103.00614	0.3
104.10728	0.4
110.07143	6.8
111.05511	0.3
111.09172	1.0
112.05055	2.8
112.08711	0.5
118.03221	0.5
119.01883	0.5
119.04956	0.5
121.01667	0.8
126.06675	0.4
127.04914	0.4
129.10217	100.0
130.04974	5.6
130.08618	0.7
130.10553	1.1
133.64989	0.3
137.05940	1.2
143.00113	0.4
144.03224	0.6
145.03413	0.4
146.02681	14.9
156.07719	0.7
161.01207	0.5
163.02658	0.3
179.02167	0.4
194.12894	0.4
195.11258	3.2
197.12866	0.5
212.10263	1.3
212.13907	6.6
213.06866	3.0
213.12344	0.5
223.10822	0.5
226.77388	0.3
240.13371	2.8
241.11815	1.0
258.10855	1.4
258.14456	18.1
259.07437	5.2
259.12961	0.4
269.86035	0.4
276.33160	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0209
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33161	2.1
51.73020	2.2
56.71612	2.5
57.03425	4.7
67.05492	5.9
70.06573	10.0
71.10635	3.1
71.10959	3.3
72.08138	3.2
74.02427	55.7
75.49239	2.5
81.04505	6.7
82.06571	3.7
83.06086	4.9
84.04488	64.4
84.08129	47.1
85.02883	7.3
85.06491	4.4
87.10008	2.4
88.02194	3.7
88.07603	1.9
90.01792	5.7
93.10773	2.1
95.04958	4.9
95.06059	6.6
96.04499	5.7
97.02883	6.3
100.02208	4.1
102.05556	3.1
104.10708	7.0
105.11064	9.8
110.07139	20.8
111.05543	9.5
111.06828	3.0
111.07484	18.3
113.06026	2.8
116.07095	3.7
119.01893	7.2
127.04036	3.5
127.05010	18.8
130.04985	24.7
130.08614	100.0
131.01886	4.5
135.09103	2.6
138.05470	14.7
138.09117	8.2
144.07663	2.6
145.03413	2.7
146.02684	4.6
150.09129	8.1
154.12277	2.9
157.03447	2.4
157.06036	4.1
170.02667	11.1
185.12550	2.1
191.04153	2.3
196.09663	10.0
197.13934	11.3
198.13208	2.8
212.13847	3.2
213.06850	2.4
213.12321	3.1
213.14238	30.2
216.28804	2.9
217.01999	2.8
242.10188	4.1
259.01819	22.2
259.04276	18.4
259.07144	6.4
259.12796	43.9
259.14807	51.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.0
54.91269	0.4
55.01870	2.0
55.05494	1.4
56.05023	0.5
57.03430	6.1
57.07069	0.6
65.20518	0.4
67.05488	1.4
67.11473	0.4
69.03402	0.7
69.07056	2.0
69.56792	2.0
69.57212	1.2
70.06571	3.1
70.67147	0.4
71.04979	0.8
71.05763	0.4
72.08146	3.1
73.02896	1.0
75.04464	3.0
79.05483	3.3
81.03397	1.2
81.07035	2.0
81.98829	0.4
83.04972	1.1
83.08631	0.4
84.08133	2.5
85.02888	0.7
85.06526	0.4
86.09704	2.4
88.02201	1.8
88.03989	0.6
90.01759	1.3
91.05461	3.5
93.07021	2.6
93.98891	0.4
94.04176	1.1
95.04936	1.3
95.08588	3.3
97.02850	0.5
97.06525	0.7
100.07574	1.7
103.05447	3.0
105.07016	30.6
106.07379	0.5
107.04938	3.8
107.08567	1.6
108.08148	0.4
109.06496	2.0
109.10144	1.5
110.07162	1.2
111.04407	0.7
112.97128	0.4
115.05431	1.2
116.07080	1.3
117.06992	1.1
119.04891	0.5
119.08599	2.3
121.06499	1.1
121.10139	0.9
122.03638	3.2
123.08013	1.0
124.05192	1.2
124.07562	0.7
125.09634	0.4
127.03879	1.7
128.06181	0.6
129.06999	0.5
129.10210	0.4
131.04933	0.8
131.08510	0.6
133.06470	50.6
134.02684	0.8
134.05945	0.6
134.06822	0.8
135.04388	0.7
135.08035	1.2
136.02223	0.9
136.07538	1.0
137.05954	100.0
137.09583	1.4
138.06340	1.4
138.09099	0.6
141.06856	0.6
143.07123	0.4
143.08461	0.6
145.06474	0.5
147.08015	1.6
150.06795	0.5
151.07503	1.2
152.07057	0.8
154.04991	0.5
155.10710	0.5
158.08287	0.5
159.11720	0.4
162.06712	0.5
163.07480	3.7
165.09084	27.7
167.07037	0.9
168.04765	2.1
169.04993	0.6
169.13295	0.4
170.06313	1.2
175.07489	3.2
175.11095	0.6
177.09074	1.2
179.10626	0.4
181.08551	2.0
183.10165	8.3
186.09090	0.7
193.16936	0.4
194.06430	0.4
194.66988	1.2
197.05788	0.4
197.09802	0.5
201.00751	0.4
201.86644	0.4
203.10651	2.4
203.67448	0.8
209.11705	1.1
211.05524	0.5
214.07164	0.6
221.11707	3.9
223.68365	0.4
225.08995	0.5
234.98923	0.6
239.08194	0.9
239.12663	2.3
239.18411	0.6
239.68544	1.2
257.09073	2.7
257.13495	0.9
257.19357	2.3
257.21924	0.7
257.26758	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1444
Annotation	H-ALA-ALA-PRO-OH
Peak:m/z	Relative Intensity
53.16750	0.5
56.05011	1.1
56.96528	0.4
57.03418	3.5
57.07055	0.9
60.08144	1.5
61.02920	0.5
67.05487	1.0
69.03409	1.3
70.06578	1.8
70.27672	1.7
71.07324	0.5
72.08154	0.7
73.02879	0.6
74.02419	1.1
81.03392	0.6
81.04514	0.8
82.05304	1.7
82.06567	1.2
83.05614	0.7
83.06082	6.1
84.04483	1.9
84.08122	4.9
85.02888	3.7
85.06524	6.4
86.09686	2.6
88.02193	1.8
90.01780	1.1
93.04502	3.3
94.06530	0.4
95.06071	15.8
96.04489	0.7
96.06850	0.5
97.02840	0.6
98.98453	0.5
101.00837	0.8
103.77808	0.4
104.10718	19.6
104.16781	0.4
107.00270	0.4
109.02847	0.6
109.07635	3.4
110.07140	49.7
111.05532	1.5
111.07470	0.9
112.05077	3.8
112.08690	1.8
115.02457	0.5
116.07054	0.6
119.01907	1.0
124.03928	2.8
124.99973	5.0
125.04279	0.9
126.04414	1.7
126.06577	1.8
127.03899	0.9
127.05017	0.9
129.10204	2.4
130.04991	1.2
130.08600	1.5
131.01898	0.5
134.02713	1.2
136.02275	0.8
138.05467	0.9
145.03426	1.7
156.07658	3.2
157.03400	0.6
161.03000	0.7
170.02722	0.5
173.02890	0.6
184.02216	0.4
184.07324	1.9
184.11972	2.9
185.02910	0.8
185.09198	0.4
185.12825	0.9
186.06055	0.5
191.03915	0.7
193.00206	0.5
197.12761	3.8
212.10316	3.1
212.13892	56.6
213.12309	3.0
213.14252	0.9
214.15440	2.1
216.07048	0.7
231.97163	0.4
233.05016	1.4
240.08777	0.7
245.05096	0.5
249.33617	0.4
251.05934	0.6
253.07603	0.7
258.11026	7.4
258.14429	100.0
259.02127	1.4
259.06781	0.6
259.12637	0.9
259.15042	0.8
276.09229	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1377
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71884	0.6
53.03923	0.7
55.01851	1.3
55.05495	3.3
56.96557	0.8
57.03424	7.0
65.03933	1.0
67.05490	38.2
67.28477	0.5
69.03414	1.6
69.07049	2.1
69.94074	2.9
71.04970	1.9
79.05477	4.1
81.03423	0.6
81.07041	25.4
83.04957	1.8
85.06533	0.9
91.05466	1.8
93.07021	3.8
95.04980	3.8
95.08588	12.3
97.06501	0.7
99.04429	1.8
99.08080	1.7
105.07054	0.9
107.08566	3.4
109.06496	2.7
109.10135	88.7
110.10477	1.1
111.04429	1.8
111.08060	1.0
113.05974	0.7
116.98580	0.7
119.08546	3.7
121.02814	0.6
121.10114	1.5
122.92905	0.5
125.05974	1.7
127.07552	0.7
137.09587	100.0
138.09961	0.7
145.09904	0.6
147.08060	1.4
149.01241	0.7
153.49103	0.5
155.10635	9.2
157.10106	0.8
165.09082	53.0
170.00778	0.5
183.10135	4.5
201.11176	4.4
229.13345	1.0
236.06270	0.9
239.12726	54.9
240.13025	0.9
245.04163	0.6
245.06627	3.5
256.57675	1.2
257.04553	2.3
257.13812	35.4
258.05243	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	257.1379
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	1.7
53.03939	49.3
54.89533	1.6
55.01851	5.3
55.05455	1.5
57.03428	9.0
59.40446	1.5
67.05482	6.0
69.03398	1.3
69.40676	13.6
70.06585	4.2
72.08131	2.4
73.02901	3.0
75.04472	3.7
79.05497	9.1
81.03406	60.9
81.07043	5.1
82.63486	1.4
85.02882	1.8
86.09682	2.4
91.05470	27.7
93.05488	4.2
93.07024	40.0
95.04950	5.7
95.08588	37.1
99.04433	2.6
100.07580	2.1
103.05408	1.8
104.06226	2.3
105.03387	1.8
105.07004	22.3
107.08572	4.9
109.06512	7.7
109.10143	4.0
112.07573	1.5
112.37952	1.5
117.06997	8.3
119.08561	100.0
123.04400	2.7
123.08025	3.8
123.29436	1.7
129.05475	2.7
129.06996	2.9
133.06473	12.8
135.08012	6.0
137.05957	24.4
137.09549	10.6
147.08023	43.1
155.07028	7.7
158.11755	1.9
165.09094	45.3
183.10143	5.6
183.12503	1.7
194.90463	1.6
221.11642	3.8
239.12764	13.7
257.08707	2.0
257.13208	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	256.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.5
57.03429	4.4
58.99565	0.3
59.04989	0.3
61.01138	0.4
61.02906	0.8
69.03418	2.1
69.53313	0.9
69.53730	1.0
69.70660	0.2
71.01335	0.9
73.02907	2.7
73.10075	0.3
74.51592	0.2
78.03422	0.3
80.04996	1.0
82.03925	0.2
82.06549	0.3
84.04437	0.2
84.07617	0.3
84.08118	0.4
85.02885	3.0
87.04456	1.0
88.02202	4.8
89.00609	0.3
89.02074	0.3
89.02545	1.4
90.01785	0.3
96.04464	0.5
97.02886	1.4
101.05949	0.3
103.03933	0.6
103.94733	0.3
110.07152	0.9
114.05467	0.2
115.03922	2.2
119.01906	0.4
122.02714	0.9
123.03152	0.2
123.05534	0.5
124.03932	100.0
125.04285	0.7
129.01814	0.4
133.04944	4.8
134.02698	2.9
135.02994	1.0
138.05493	0.4
142.03517	0.3
146.08060	0.7
155.08153	0.5
156.43559	0.2
161.02986	0.6
161.04419	0.3
189.03954	0.5
210.12373	1.2
256.04910	0.7
256.08258	1.1
256.13049	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	255.1585
Annotation	Russulanorol
Peak:m/z	Relative Intensity
50.89546	2.6
52.54260	2.9
53.03930	3.6
55.01854	3.6
55.05303	2.8
55.05502	30.6
55.97531	2.7
57.03425	45.1
57.07056	10.3
67.05488	72.8
69.03416	5.4
69.07053	29.1
70.06582	5.8
71.01328	4.8
71.04968	8.3
71.08608	5.4
71.55248	3.9
71.71520	3.2
72.00540	2.5
79.05476	58.9
81.03403	14.5
81.07037	46.4
83.04962	33.0
83.08609	11.2
85.02904	3.1
85.06522	11.6
88.02212	23.4
91.05466	27.2
93.07025	78.6
95.04958	9.6
95.08602	16.0
97.06515	23.6
97.10117	19.9
98.98452	39.1
99.04421	5.4
99.08087	4.7
100.07588	5.3
103.54057	2.6
105.07021	6.8
107.08567	50.7
109.06483	5.6
109.10136	10.0
111.04428	8.5
111.08060	5.5
117.06970	9.6
119.08579	13.3
121.06477	3.8
121.10117	15.0
122.02676	5.9
133.10068	7.5
134.02693	13.0
135.11664	100.0
137.09607	4.0
143.08470	3.6
145.10065	18.4
148.54961	3.9
153.12701	5.6
157.10164	2.9
163.11101	16.1
163.14745	3.7
167.45816	3.3
181.12193	15.8
190.25414	4.8
196.88611	2.9
219.13675	3.3
237.22079	4.4
255.13268	4.4
255.15816	86.8
255.22931	5.7
255.25128	13.5
256.26385	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	256.0811
Annotation	Nicotinate riboside
Peak:m/z	Relative Intensity
55.01868	2.6
57.03426	4.4
59.04983	0.9
59.23943	0.2
61.02907	1.0
69.03415	2.2
69.45133	2.0
69.45473	0.4
71.01332	1.0
73.02906	2.9
78.21022	0.3
79.38617	0.3
80.04996	1.2
83.06089	0.5
84.08117	0.5
85.02895	2.7
87.04454	0.7
88.02209	2.0
89.02524	0.7
90.01786	0.3
96.04456	0.6
97.02853	1.0
97.07642	0.4
98.21514	0.6
101.05999	0.7
103.03914	0.4
107.03255	0.3
110.07166	1.2
114.05512	0.9
115.03905	2.5
120.12190	0.3
122.02679	0.3
123.05524	2.6
124.03934	100.0
125.04288	1.0
130.08643	0.3
133.04950	4.9
134.02689	1.2
135.03008	0.3
143.03381	0.3
146.08040	0.3
155.08104	2.5
174.55110	0.3
198.46967	0.2
210.12357	1.7
213.45920	0.2
239.13918	0.3
256.08179	0.7
256.12900	3.2
256.15723	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0463
Annotation	L-Djenkolic acid
Peak:m/z	Relative Intensity
55.01853	0.6
57.03425	1.1
58.99577	4.3
61.01145	1.9
61.02916	0.5
69.03429	0.7
71.01334	0.6
71.07315	0.9
73.02909	0.9
76.02217	4.1
84.08145	1.1
85.02906	1.2
86.99059	3.0
88.02202	100.0
93.43705	0.4
97.02841	0.4
103.03907	0.4
105.00064	3.3
106.02914	1.3
110.07092	0.8
122.02710	18.6
123.05533	27.7
124.03931	5.5
126.49493	0.4
130.08630	0.5
133.04994	0.8
134.02693	64.8
146.08136	0.6
161.02798	0.4
232.08531	0.6
255.04630	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	255.0463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.9
56.05005	0.4
56.96552	0.6
57.03415	1.5
58.99582	4.4
61.01138	1.6
61.02911	0.7
66.68438	0.4
68.47266	0.4
69.03412	1.7
69.69634	2.1
70.06576	1.3
71.01337	0.6
71.04990	0.5
72.08144	0.8
73.02899	1.3
76.02217	3.5
80.05006	0.7
80.33281	0.4
81.07100	0.6
81.86553	0.4
84.08128	2.7
85.02877	1.6
86.09696	1.9
86.99043	3.0
88.02200	100.0
89.00583	0.7
94.61839	0.4
97.02896	0.9
98.97576	0.5
98.98459	0.8
101.00879	1.2
105.00072	4.2
106.02841	2.0
110.07186	2.3
112.07606	0.4
115.03978	0.5
119.01897	2.1
122.02707	16.4
123.05531	36.9
124.03951	1.2
130.08630	0.6
133.04926	1.3
134.02690	62.1
136.07578	0.8
139.86800	0.4
142.03477	1.2
143.01944	0.8
145.03458	0.8
156.07616	0.6
161.02917	1.0
164.12657	0.5
182.88336	0.4
186.09773	0.8
200.04073	0.4
209.14679	0.7
211.04507	0.4
214.05775	0.4
214.09204	1.6
232.10274	4.4
255.04604	9.7
255.07407	0.8
255.15244	0.7
256.12796	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0625
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99574	3.7
61.01146	1.1
69.56402	2.8
69.56824	2.5
72.06076	0.7
76.02220	4.6
84.36490	0.6
86.99055	2.4
88.02201	100.0
98.20747	1.2
105.00089	3.8
114.06157	0.7
122.02716	19.1
134.02692	62.6
160.24101	0.7
184.90614	0.7
209.03937	0.6
255.04456	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	254.1132
Annotation	Pyricarbate
Peak:m/z	Relative Intensity
55.05493	0.5
69.03419	0.7
70.06573	1.7
70.50314	1.9
71.04984	0.5
72.08131	1.4
79.05465	0.7
80.05000	0.8
82.06584	0.9
83.06050	0.6
84.08118	1.0
87.04437	1.6
88.02214	5.8
91.05447	0.9
92.05025	0.7
94.06532	1.0
95.49080	0.5
98.98459	4.0
100.07604	0.5
105.07019	2.1
110.06004	0.9
110.07151	5.2
117.03309	0.6
119.06048	13.0
120.04441	0.6
120.08067	1.2
121.06453	1.5
122.02745	1.2
123.06804	0.5
124.03913	1.1
124.07566	2.0
134.02702	4.1
134.05957	2.8
134.99692	0.6
135.05478	0.6
136.07536	0.8
137.07063	2.2
138.05479	43.9
140.07008	0.6
145.02834	1.3
147.05518	2.3
148.03876	2.5
148.06288	2.4
149.04631	0.9
149.07076	24.3
150.05502	1.5
152.07040	56.4
153.07822	82.8
156.07687	3.5
162.06624	0.8
163.07385	2.6
165.06580	24.1
166.07385	4.4
175.08658	1.0
177.05415	1.7
180.06482	0.6
180.10075	0.7
181.08557	0.6
192.11261	0.7
208.11043	3.2
219.04941	1.0
219.07581	0.9
236.10258	0.7
236.12691	1.3
254.11331	100.0
255.04579	0.7
255.11693	1.1
267.00183	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
55.01868	0.4
55.05494	3.1
55.11077	0.5
56.05034	1.2
56.96568	1.6
57.03439	1.8
57.07076	0.5
58.99572	2.8
59.57157	0.5
60.04509	0.6
61.01160	1.2
62.42981	0.4
62.89106	0.4
68.05034	0.6
69.03423	0.9
69.69378	3.2
70.06576	3.7
71.04980	1.7
71.87923	0.4
72.08142	1.5
73.02910	0.5
73.06551	1.7
74.06879	0.9
76.02196	2.5
79.05480	2.9
80.05006	0.5
81.03432	0.6
81.04539	1.0
81.07039	12.9
82.05312	2.0
83.06084	12.7
84.04465	0.5
84.08122	2.5
85.02876	2.6
86.03226	1.0
86.99039	1.4
87.00777	0.7
88.02196	56.8
89.03880	0.6
93.04503	7.6
95.06071	20.4
97.02868	1.0
98.06053	2.3
98.97581	2.1
98.98449	2.4
101.18860	0.4
103.03918	0.6
105.00063	1.5
106.03220	0.5
107.06060	1.6
109.02773	0.5
110.07142	69.3
111.05540	2.2
111.07489	0.8
112.07559	1.1
112.08724	2.1
115.03900	0.6
116.98580	1.0
117.03361	1.3
119.01862	0.7
119.04932	0.7
119.06021	0.9
120.08080	7.6
121.06476	0.5
121.07622	1.3
121.08415	11.1
122.02698	9.9
123.04442	1.0
123.05530	1.6
124.07565	0.5
125.07087	2.1
127.03864	0.6
130.08650	0.6
133.04919	3.7
133.40480	0.5
134.02682	36.2
134.99611	0.7
136.07539	0.7
137.05875	0.5
138.05412	0.5
145.02815	1.7
146.05222	0.6
146.09485	0.5
147.04367	0.8
150.05457	0.8
150.09177	0.5
151.12244	0.8
152.06947	0.7
155.04570	0.6
156.07661	3.5
158.99609	0.5
159.02837	0.9
162.83127	0.6
163.12270	34.9
164.12708	0.7
165.05411	0.7
167.11763	2.7
170.57317	0.5
173.04356	0.9
177.05440	3.2
180.12529	2.3
181.13347	1.1
188.92418	1.5
190.11652	0.5
190.13354	14.1
193.13338	3.7
194.12801	1.6
195.11256	16.7
201.03973	2.7
208.04323	0.5
208.14409	50.8
209.12726	2.9
209.14597	1.1
210.15877	1.2
213.07816	0.8
219.04868	1.9
219.11343	0.5
231.08768	0.6
236.13789	1.1
237.15796	0.9
248.99014	1.0
254.14868	100.0
255.04620	7.5
255.15216	1.4
267.00034	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	254.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43064	1.0
53.44078	1.1
60.04507	6.0
61.02916	6.1
69.03429	1.0
70.06571	2.1
70.56476	2.3
70.56843	2.0
71.01341	6.0
71.04961	1.6
74.61278	1.2
75.04464	13.8
77.48911	1.0
81.03407	1.5
86.09645	1.2
87.04443	4.6
88.02198	11.4
89.02383	2.4
98.98436	3.3
103.03923	15.4
110.07156	1.7
115.02040	1.2
120.08092	3.1
121.08419	4.6
122.02711	2.0
131.03368	6.1
134.02679	6.4
159.02858	41.4
166.08548	1.9
167.08934	4.3
184.85010	1.1
187.02328	2.4
188.92413	1.7
208.11551	1.9
219.04955	100.0
220.05289	1.9
254.08534	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78032	1.2
60.04504	2.6
61.02916	5.9
64.08683	1.5
70.06556	2.7
71.01347	6.1
71.33088	2.0
75.04469	12.6
84.08148	1.4
85.65405	1.3
87.04437	5.1
88.02201	13.9
89.02365	2.6
98.98442	5.3
103.03928	15.7
110.07121	1.6
120.08051	2.5
121.08403	1.3
121.39808	1.1
122.02675	3.1
131.03383	3.9
134.02687	7.5
159.02867	44.7
177.81593	1.4
187.02338	4.2
193.45695	1.3
196.63478	1.3
219.04961	100.0
254.14235	1.5
255.04456	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	253.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.0
55.01858	2.3
55.05505	7.2
57.03430	5.1
57.07063	0.9
59.04969	0.7
60.04527	1.1
61.02917	8.4
67.05486	0.7
69.03419	16.1
69.77187	0.6
69.98625	1.3
69.99020	1.5
70.06592	1.1
71.04978	2.8
73.02916	3.7
73.06546	37.7
81.03400	6.6
84.04490	0.9
84.08132	2.0
85.02892	100.0
86.03210	0.9
87.04460	1.7
89.06007	0.9
91.03930	4.8
93.07037	0.6
97.02877	20.5
98.98457	16.3
98.99112	0.8
99.04433	4.9
101.02319	0.7
103.03939	0.8
109.02858	8.2
110.07180	1.7
115.03905	1.2
120.08102	1.4
123.04422	0.7
127.03899	21.6
128.07071	0.7
133.26247	0.6
135.11722	0.7
136.07518	1.1
145.04939	25.7
163.06017	4.8
166.03236	0.6
197.11734	1.0
219.05077	1.6
253.12161	0.9
253.15674	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.7
55.01861	1.6
55.05484	2.9
56.04997	1.2
57.03413	1.0
57.07051	2.8
58.06574	1.4
58.30697	0.8
59.04990	16.9
61.92975	0.9
67.05479	4.1
69.03407	3.4
69.07036	3.3
70.06589	6.0
71.04975	2.8
71.53731	1.6
72.08134	7.0
73.02864	2.2
79.05479	5.4
81.03385	3.5
81.07031	4.6
82.06543	3.4
83.04959	2.4
83.08585	1.3
84.04450	1.0
84.08135	5.5
85.02867	2.3
85.06520	1.3
86.09697	2.1
86.75441	1.1
87.04436	3.1
88.03933	1.0
89.06013	100.0
91.05457	6.5
91.54990	1.1
93.07036	4.6
95.04956	2.8
95.08580	5.9
97.02862	1.5
97.06556	1.2
98.98448	62.8
99.04432	1.7
100.07581	1.9
103.03900	1.3
103.05468	6.6
103.07545	3.9
105.07004	3.9
107.04947	6.6
107.07047	8.1
107.08555	2.4
109.02856	13.5
109.06498	2.2
109.10157	1.5
110.07139	1.3
111.08057	1.7
111.88776	1.2
113.05971	1.1
115.03938	1.0
116.99487	2.3
117.07063	1.1
119.04919	1.1
119.08547	3.2
120.04522	1.2
120.08049	3.9
121.06478	2.5
121.08449	1.7
121.10104	1.9
123.04379	1.4
123.08033	2.3
125.09617	1.0
127.03895	2.7
128.07034	5.4
129.06982	1.7
129.10242	1.3
130.08604	1.1
131.04874	6.0
131.08577	1.1
133.06474	4.1
133.08582	34.8
133.10101	2.2
135.08011	1.1
137.05933	11.0
137.09497	1.2
141.05421	1.1
145.77017	0.9
147.04349	1.2
147.08037	1.1
147.10037	1.2
147.11612	1.0
149.05910	2.7
149.09607	1.9
151.07535	2.6
151.09610	7.8
151.10872	1.8
157.10066	1.6
161.06024	1.6
161.09616	1.8
165.05457	1.2
165.06966	1.9
165.09216	1.2
165.12560	0.9
171.11710	1.4
174.99188	1.5
176.98898	2.0
177.11198	7.2
179.06993	2.5
189.12665	1.4
193.06445	1.3
195.12244	33.8
197.11696	2.3
207.06340	1.2
207.08279	2.1
209.08046	1.1
217.12303	1.2
221.05899	1.8
235.05954	1.3
235.09727	1.4
235.13174	2.5
244.10741	1.3
253.08569	5.1
253.16414	6.3
253.22775	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	250.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63261	0.7
55.05472	0.8
61.02891	0.8
66.93871	0.8
68.04282	0.8
69.03415	0.8
69.70287	1.9
69.70708	3.2
70.06561	2.8
72.08147	0.9
79.05486	1.5
81.07040	8.9
83.04959	1.5
84.08121	0.9
86.09697	1.6
91.05438	1.4
95.04937	0.9
98.98448	12.6
99.08076	19.4
101.05994	4.1
109.06490	2.1
123.08051	5.5
129.05424	1.0
132.04791	0.8
136.06168	2.4
141.09076	100.0
142.09418	1.8
151.07524	2.3
168.89519	0.7
169.08540	1.8
174.99246	1.0
187.09627	85.8
188.09991	1.8
204.07257	1.5
233.10196	6.2
250.07594	1.5
250.12885	6.3
250.16605	0.9
273.83405	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.3
57.03437	0.4
69.88008	0.3
70.24891	0.2
70.51650	0.9
79.05481	1.0
81.07039	2.8
84.08147	0.4
90.91718	0.3
91.05462	0.4
94.04042	0.9
98.21435	0.2
98.98460	1.2
104.03455	0.2
106.50150	0.3
107.04943	0.3
117.57229	0.3
119.03526	2.0
120.08074	1.7
134.49440	0.3
136.06160	100.0
137.04599	1.3
137.06493	0.3
146.05968	0.4
178.17160	0.3
188.07080	0.4
206.08084	1.0
217.05911	0.3
234.13451	17.7
252.14510	71.9
253.14783	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1119
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
53.03909	0.3
55.01852	0.7
55.05486	1.1
57.03431	0.8
57.07064	0.5
59.04983	1.0
59.12848	0.3
63.84228	0.3
67.05495	1.7
68.23544	0.3
69.03419	3.2
69.07030	0.8
70.06555	0.5
70.81100	1.0
71.04965	0.6
79.05482	1.9
81.03392	1.3
81.07047	3.3
83.04979	0.5
84.08125	0.3
85.02879	1.3
85.06536	0.9
87.00800	0.7
88.96938	0.3
91.05470	6.1
93.07024	3.4
95.04940	1.4
95.08624	2.0
97.02869	1.2
97.06512	0.6
98.21329	0.4
99.04455	0.7
100.07597	0.4
103.05443	1.3
105.07005	4.5
107.04932	1.9
107.08591	2.5
109.02866	0.7
109.06490	0.8
109.10118	0.8
115.05425	3.9
116.06219	2.0
117.07011	3.2
118.07783	0.5
119.04906	0.6
119.08558	2.7
121.06466	1.1
121.10123	1.6
123.11653	0.4
127.03900	1.3
128.06221	7.3
128.62392	0.4
129.06989	16.3
130.07764	0.9
131.04893	2.5
131.08548	15.4
132.05730	0.8
133.06461	2.3
133.10112	3.1
135.04399	1.0
135.07996	0.5
135.11615	0.4
137.05960	0.5
137.09569	1.3
141.06979	7.3
142.07753	3.8
143.04874	1.3
143.08554	3.7
144.05678	6.5
145.06459	4.7
145.10121	1.0
146.03656	0.4
146.07240	2.2
147.04381	1.2
147.08011	1.3
147.11670	1.2
149.05911	0.4
149.09581	0.3
149.13254	0.5
151.03867	0.7
151.07501	0.4
152.06189	0.9
153.06953	1.7
155.06038	0.9
156.05656	1.5
157.06462	7.0
157.07713	0.4
157.10030	0.8
158.07289	2.4
159.04422	0.7
159.08034	23.2
160.05162	0.7
160.08830	0.5
161.05963	3.1
161.09587	6.1
161.13246	0.7
165.09032	0.4
167.07005	0.8
169.06403	1.2
169.07689	1.5
170.05890	0.5
170.07239	6.0
171.04395	1.0
171.08018	5.2
171.11674	0.8
172.05176	2.4
173.05969	3.2
173.13237	0.3
174.06783	1.9
175.07524	2.8
175.11183	0.6
177.05460	0.7
178.06194	0.8
184.05130	0.8
185.05907	0.9
185.09633	0.4
185.13164	0.7
186.06746	0.6
187.07520	14.1
188.04723	0.5
188.08284	1.4
189.05510	2.5
189.09070	7.3
189.12660	0.6
190.06149	1.2
191.06955	1.1
193.08575	0.8
193.12216	0.5
198.06714	1.6
199.07521	2.2
201.05453	1.3
203.07005	5.6
203.10518	0.4
203.14099	0.5
204.07784	10.4
205.06725	0.3
205.08490	1.6
206.09270	0.6
207.10216	0.3
213.09167	0.4
213.12680	0.4
213.16348	0.8
216.07785	3.3
217.08545	0.8
218.09305	1.7
219.10080	2.0
221.08095	0.9
221.11646	2.9
231.06526	1.1
231.07811	0.4
231.10123	6.3
231.13719	1.3
231.17332	1.1
234.08821	0.6
249.11177	100.0
249.18173	3.1
250.11508	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1115
Annotation	Microhelenin E
Peak:m/z	Relative Intensity
55.01845	0.4
56.32850	0.4
57.03419	0.5
57.44070	0.4
69.66893	0.5
70.92571	0.9
74.47113	0.4
91.05455	4.8
103.05417	0.7
105.07013	2.4
107.04918	1.8
115.05434	3.1
116.06223	2.1
117.07010	2.2
128.06207	6.6
129.06978	14.1
130.07782	0.7
130.09807	0.5
131.04860	1.5
131.08543	13.5
132.05592	0.7
133.06461	2.0
133.10081	1.2
141.06949	6.0
142.07788	2.3
143.04865	0.5
143.08545	2.8
144.05667	7.8
145.06448	5.2
146.07253	3.2
147.04405	1.2
153.06946	2.0
155.06009	0.7
156.05714	1.1
157.06450	7.6
158.07204	1.6
159.08022	23.4
160.05161	1.1
161.05977	2.5
161.09584	5.6
167.06999	0.5
169.06448	1.2
169.07605	1.8
170.07227	6.2
171.04385	0.9
171.07996	5.3
172.05161	2.2
173.05911	3.2
174.06738	2.0
175.07544	2.2
178.06212	0.6
185.06071	0.6
186.06734	0.7
187.07495	13.6
188.08289	1.3
189.05499	2.4
189.09053	6.7
190.06233	1.0
191.06955	1.1
193.08545	0.7
198.06667	1.4
199.07526	2.1
201.05368	1.3
203.06989	5.2
204.07773	10.9
205.08514	1.8
206.09384	1.2
216.07742	3.2
217.08511	0.9
218.09373	1.5
219.10086	1.2
221.08089	0.9
221.11642	2.2
222.07581	0.4
231.10152	6.1
249.11166	100.0
250.11559	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0366
Annotation	Unknow
Peak:m/z	Relative Intensity
70.44176	13.6
96.05740	4.8
98.20855	5.1
170.68306	4.5
190.10567	6.5
249.03662	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0755
Annotation	Tournefolin B
Peak:m/z	Relative Intensity
53.65176	0.7
55.01848	0.8
59.04986	1.0
70.00323	1.4
70.00736	2.6
70.06565	2.5
79.05481	0.8
81.03405	0.8
85.02859	1.8
86.09677	2.3
88.96804	0.6
91.05458	1.7
97.02882	0.8
102.65516	0.6
103.05441	1.1
105.07018	3.8
111.04408	0.8
115.05437	26.1
117.07007	2.0
119.04904	2.4
121.06512	0.6
123.04402	1.9
127.03867	1.6
129.06966	2.5
130.06508	1.8
131.04851	1.6
131.08536	1.2
132.04442	1.2
132.05684	1.6
133.06465	2.6
137.05949	1.3
139.03821	1.0
143.04901	56.1
144.05667	2.2
145.06435	3.2
146.03609	5.8
147.04404	6.8
147.08035	1.0
150.07703	1.3
151.08095	1.4
157.06476	0.9
157.07616	1.1
158.05963	2.8
159.04382	1.1
159.08028	1.0
160.03929	1.4
160.05177	18.6
161.05951	34.0
162.06729	1.0
165.05421	0.9
171.04395	36.0
173.05946	1.7
174.06720	1.2
175.03996	1.5
175.07487	52.8
179.07004	2.3
185.02118	0.8
185.07054	1.4
187.07472	2.2
188.04628	2.7
189.05443	15.2
189.09058	0.9
190.06186	0.9
199.03957	1.1
202.09323	0.7
203.06995	100.0
204.07451	1.7
207.06500	1.0
217.04926	16.1
221.07953	5.7
231.06296	4.3
231.10056	1.1
236.45872	0.7
249.07538	87.1
249.11028	5.3
249.15219	2.6
250.07785	1.2
256.70804	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1118
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
53.18196	0.4
54.47532	0.4
56.43208	0.4
65.03926	0.5
67.05466	0.6
69.03399	1.0
70.67991	0.5
70.68336	1.0
84.08106	0.5
91.05463	4.7
97.02875	0.9
102.58701	0.5
103.05450	0.7
104.86079	0.4
105.07021	2.5
107.04913	1.4
115.05437	2.7
116.06216	2.5
117.06988	2.7
120.08058	0.9
121.06473	0.7
127.03933	0.7
128.06198	5.8
129.06978	14.4
130.07750	0.7
131.04878	1.5
131.08539	15.1
132.05676	0.8
133.06476	2.2
133.10094	1.0
133.48204	0.5
141.06972	6.6
142.07733	3.6
143.04796	0.6
143.08551	2.7
144.05687	6.6
145.06461	4.1
146.07234	2.5
147.04466	0.6
152.06145	0.8
153.06972	1.3
155.06041	0.8
156.05652	1.6
157.05232	0.6
157.06474	7.1
158.07213	1.4
159.08029	23.4
160.05159	1.3
160.08722	0.6
161.05988	2.5
161.09584	5.6
165.49109	0.5
167.06984	1.2
169.06409	1.4
169.07616	1.3
170.07222	6.2
171.04335	0.7
171.08031	5.5
172.05110	2.0
173.05962	2.7
174.06674	2.3
175.07585	2.1
175.08893	0.5
178.06169	0.7
185.05930	1.2
186.06674	0.7
187.07506	15.5
188.08276	1.0
189.05457	3.1
189.09073	7.1
190.06248	0.8
191.06938	0.7
198.06691	1.4
199.07481	2.9
201.05411	1.4
203.07001	4.5
204.07779	10.5
205.08467	1.1
206.09311	0.7
216.07787	4.1
217.08595	0.9
218.09428	1.0
219.10146	1.9
221.08191	1.1
221.11703	2.5
231.10129	6.0
234.08920	0.7
249.11172	100.0
250.11426	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.131
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70353	0.5
53.03922	0.5
55.01850	0.5
55.05492	1.9
56.05010	0.6
56.96545	0.7
57.03405	0.9
57.07052	0.7
58.18505	0.5
58.99553	0.7
65.03915	0.6
67.05489	20.8
69.03408	2.4
69.07050	1.2
69.75878	2.1
69.76290	0.9
70.06563	3.5
71.04960	1.1
72.08141	2.3
74.00640	0.9
79.05486	2.4
81.03394	1.4
81.07034	6.3
83.04935	0.6
83.08594	1.3
84.04510	0.7
84.05292	0.5
84.08118	2.1
85.02876	1.7
85.06498	1.2
86.09673	3.7
86.99019	0.9
88.03976	0.7
91.05446	2.3
93.07030	1.0
94.06528	1.5
95.04976	1.3
97.02866	1.1
98.06024	0.7
98.97568	1.5
103.05428	0.6
103.30714	0.5
105.00082	1.6
105.07024	2.2
107.08561	3.8
109.02874	0.9
109.05125	1.2
109.10131	100.0
110.07105	1.4
110.10470	1.0
115.05412	3.5
115.12258	0.4
116.07086	0.7
116.98579	0.7
117.73508	0.4
119.04919	1.0
120.01141	1.2
120.08078	1.3
120.08892	0.8
122.02648	2.5
122.06000	1.2
123.04384	1.3
123.08086	0.5
127.03922	1.4
127.07539	1.4
127.11161	1.6
129.10216	0.6
130.06468	0.7
130.08530	0.5
131.04793	0.6
131.08635	0.5
133.05081	0.9
133.06451	1.0
137.04662	0.4
141.07278	2.2
143.04871	8.4
146.03554	0.6
146.10446	0.6
147.04396	1.8
149.05949	0.9
150.05586	4.4
150.07713	41.2
156.07658	0.6
159.08023	1.0
160.05170	1.6
160.08398	0.7
161.05959	5.4
161.09589	0.5
165.05466	0.8
171.04349	5.7
175.03979	1.2
175.07484	8.5
177.05504	0.7
178.04886	0.5
184.11766	0.6
188.04620	1.0
189.05420	5.0
189.09019	0.6
200.11481	0.8
202.08813	1.0
202.10759	0.6
202.13017	0.9
203.06955	17.2
207.06500	1.8
213.09373	1.7
217.04970	1.9
221.08052	0.9
221.71352	0.5
230.06566	0.6
230.12048	4.0
231.06561	2.2
231.10442	25.4
232.10646	0.7
248.03293	2.4
248.06488	1.1
248.09290	1.8
248.13055	6.0
248.15053	30.8
249.07524	16.0
249.11276	1.4
249.15714	4.0
267.00052	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.2052
Annotation	(S)-Panaxjapyne A
Peak:m/z	Relative Intensity
50.56142	1.3
53.03929	3.2
55.05502	13.7
57.03429	1.7
57.07053	4.2
65.03910	1.4
65.53048	1.2
67.05493	45.2
69.07060	13.0
71.04973	2.2
71.27113	1.2
71.27448	2.3
73.61423	1.1
77.74084	1.2
79.05481	71.5
81.06573	2.4
81.07041	37.9
83.04942	1.6
83.08591	4.9
85.06519	2.5
91.05467	32.9
92.14162	1.4
93.07027	100.0
95.04951	9.1
95.08588	26.9
97.06478	2.8
97.10158	1.9
98.98447	2.1
104.68217	1.3
105.07011	23.5
107.08575	44.8
109.06516	2.7
109.10141	17.6
113.09567	1.2
115.05373	1.1
117.07017	13.1
119.08563	20.2
121.10120	41.2
123.11689	4.8
131.08539	14.2
133.10101	18.4
135.11667	62.6
139.11111	1.7
145.10097	20.2
147.11668	15.7
149.09598	2.1
149.13231	14.7
151.11182	1.2
159.11665	12.9
161.13188	8.5
163.14796	2.8
171.11717	1.5
173.13231	10.6
175.03949	1.8
175.14764	1.6
187.11029	1.5
187.14751	6.0
189.08884	1.3
201.16354	1.5
205.15802	1.9
227.57283	1.2
229.08516	1.5
229.19466	13.7
247.02228	1.2
247.05869	1.3
247.09596	2.2
247.13225	2.3
247.16794	2.1
247.20529	66.8
247.24561	3.7
248.20882	1.5
264.03857	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	247.0421
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55899	0.6
69.49693	3.7
69.50111	1.8
72.08133	2.6
84.08130	2.0
86.09679	2.4
88.03957	0.8
90.56003	0.7
97.00002	0.7
101.00854	1.1
104.05794	0.6
109.05338	0.7
119.01884	2.2
130.08661	1.5
141.29126	0.7
147.89679	0.7
157.50600	0.7
167.03152	1.5
169.01132	0.9
187.00874	0.9
187.02336	0.8
203.75597	0.7
206.07182	0.8
215.00316	1.5
229.03162	25.0
247.04219	100.0
247.08080	3.1
247.12749	1.2
248.04749	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1323
Annotation	[2R-(2alpha,4aalpha,8abeta)]-1,2,3,4,4a,7,8,8a-Octahydro-4a-methyl-alpha,8-bis(methylene)-7-oxo-2-naphthaleneacetic acid
Peak:m/z	Relative Intensity
53.03932	5.1
55.01865	3.1
55.05493	4.9
57.07058	2.3
58.66590	1.3
60.01241	1.3
65.03927	4.3
67.05501	7.9
69.03419	18.0
69.07051	5.3
69.33426	12.1
71.04969	1.7
79.05470	10.8
81.07035	17.0
83.04958	17.2
83.08607	1.8
84.08116	2.2
85.02871	2.2
85.06512	2.6
86.09686	1.6
89.00905	1.3
91.05461	18.4
92.88988	1.4
93.03383	3.4
93.07019	21.8
95.04958	8.5
95.08585	12.1
97.02868	6.3
97.06525	2.8
99.04453	1.5
103.05424	1.8
105.07009	19.4
107.04912	2.3
107.08566	20.8
108.23104	1.4
109.02854	19.8
109.06489	17.2
109.10139	9.0
111.04417	7.9
111.08039	2.2
115.05415	2.8
117.06997	10.9
119.08562	26.1
121.02831	5.3
121.06482	23.8
121.10107	12.1
122.06022	2.1
123.08039	3.6
123.11700	2.3
128.06206	3.3
129.06944	7.2
130.07741	2.4
131.04974	1.6
131.08537	24.7
132.05731	2.0
133.06459	2.3
133.10081	16.9
135.08025	28.0
135.11653	3.8
137.05974	9.2
137.09573	5.6
139.03850	2.8
141.06955	4.0
142.07744	4.2
143.08542	11.4
144.05739	1.7
144.09283	12.2
145.06442	11.8
145.10081	17.7
146.07294	1.8
147.08029	4.4
147.11646	3.9
149.05994	2.1
149.09578	24.6
149.13260	2.7
150.05469	5.0
150.10396	2.6
151.11182	2.6
153.07013	1.4
153.09052	1.5
155.08565	5.0
156.09348	1.6
157.06493	2.8
157.10080	5.4
158.07288	3.6
158.10872	12.7
159.08032	15.1
159.11670	32.1
160.08821	3.8
161.09586	4.9
161.13332	1.7
163.07504	22.3
163.11137	3.2
163.14798	2.7
165.09105	1.6
168.09360	2.3
169.10080	3.5
169.96185	1.3
170.10866	4.4
171.08025	7.0
171.11694	2.6
172.08784	12.9
173.05972	2.9
173.09583	26.7
173.13213	48.6
175.03888	4.6
175.07509	1.8
177.12672	1.8
181.06448	2.3
183.11694	9.4
185.13275	4.1
186.10367	20.9
187.07594	7.6
187.11142	100.0
187.14767	4.1
189.09081	3.6
191.06990	25.8
191.08574	2.2
191.10692	1.7
191.17967	2.2
191.48770	1.4
196.08797	5.9
201.12698	66.7
201.16397	5.7
203.14252	2.0
205.12202	8.9
211.11147	11.6
211.14774	2.5
217.08551	1.4
219.13820	4.6
229.08649	3.0
229.12187	74.7
229.15903	4.3
230.53763	1.3
247.07475	4.3
247.09647	7.9
247.13263	69.2
247.16937	15.2
247.20560	2.4
247.24014	6.5
248.03113	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	245.1896
Annotation	(3S,9Z)-1,9-Heptadecadiene-4,6-diyn-3-ol
Peak:m/z	Relative Intensity
52.10265	1.0
55.05494	6.5
55.93498	1.4
57.03403	1.4
57.07049	4.2
62.05783	1.4
62.06075	18.9
63.06410	2.0
67.05487	11.1
69.07046	6.2
69.89194	2.4
69.89603	4.9
71.04970	3.1
71.08625	2.3
76.10168	1.1
77.16734	1.2
79.05483	9.0
79.98772	1.2
81.07040	39.9
83.04943	1.7
83.08600	3.9
85.06522	24.5
91.05455	14.9
93.06458	2.3
93.07022	28.0
95.04935	2.5
95.08583	26.1
97.06505	4.3
97.10142	2.8
99.08036	2.2
105.07005	36.9
107.08570	26.6
108.09570	1.4
109.06464	2.5
109.10136	13.5
111.08055	2.4
113.03460	2.9
113.09557	1.1
113.96362	1.2
115.03908	1.9
115.05369	1.8
117.06989	5.4
119.08559	31.6
121.06477	2.2
121.10107	16.6
123.11668	5.8
125.09589	2.5
128.06163	1.5
129.06982	4.2
131.08549	14.5
133.10114	21.1
135.11656	9.4
140.10471	1.1
141.06798	1.5
142.03189	2.6
142.07742	5.0
143.08516	12.4
145.10088	36.1
147.11652	34.2
149.09569	2.2
149.13229	11.1
149.96063	1.7
151.11145	4.3
153.12744	2.1
156.09303	5.7
157.10095	21.4
159.09102	1.2
159.11636	15.0
161.13188	6.8
163.11142	3.3
163.14804	2.0
167.97154	1.4
171.11646	27.4
172.97725	2.4
173.13229	3.6
183.11629	1.5
185.13199	13.4
187.14784	20.5
189.12701	1.9
199.14781	8.8
201.16356	16.5
203.14233	1.6
203.17923	3.5
217.15848	2.7
217.19487	4.7
227.17888	56.0
228.20235	1.5
245.18965	100.0
245.22678	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	245.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32402	2.7
53.09199	2.3
55.05479	9.2
57.07053	3.0
65.70097	2.6
67.05476	12.5
69.03416	4.6
69.07038	10.1
70.06597	2.9
71.04978	4.5
71.53246	4.7
72.93775	4.6
79.05468	12.1
81.07041	44.8
82.17777	2.8
83.04942	2.9
83.08586	7.9
84.08134	2.6
85.06522	31.2
86.09689	4.2
87.04453	4.7
90.94796	4.8
91.05448	16.9
93.07042	28.3
95.04919	4.2
95.08593	29.3
97.06526	7.7
99.94045	3.0
103.76775	2.5
105.07016	39.4
106.49337	2.9
107.07968	3.5
107.08585	38.9
109.10143	15.6
113.03471	8.8
114.03735	4.6
115.03903	6.5
117.06982	8.1
119.08575	33.3
121.10115	16.4
123.08026	4.2
123.11673	6.5
127.78199	2.5
129.06969	5.2
131.08513	16.0
131.30382	3.3
133.10110	20.8
135.11696	9.6
142.03165	9.5
142.07845	3.2
143.08554	16.2
145.10097	40.1
147.07965	3.6
147.11668	34.6
149.09612	3.5
149.13214	12.0
149.96037	3.2
151.11127	4.3
156.09355	4.5
157.10110	16.3
159.11705	14.5
161.13246	7.4
167.97197	4.6
171.11646	27.7
172.97664	4.4
175.11154	4.2
185.13228	15.9
187.14827	23.1
189.12720	5.9
190.98962	3.5
199.14792	10.1
201.16368	18.5
203.14203	4.0
203.17894	3.2
217.19475	6.1
227.17914	57.7
245.04385	4.4
245.13309	3.7
245.18980	100.0
245.22699	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	247.0421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.2
55.17323	0.7
56.05005	2.1
56.61994	0.7
57.03423	0.9
61.02895	0.9
69.03365	0.9
69.07034	1.1
70.06569	4.0
71.05007	1.0
71.50908	0.8
72.08150	7.1
72.78716	0.7
73.92005	0.7
81.03373	1.3
81.62443	0.7
82.06544	1.6
84.04479	3.1
84.08123	7.9
85.02883	1.5
86.09700	7.6
88.03927	0.9
90.05537	1.5
100.07595	2.1
101.00856	2.0
102.05489	3.1
102.26738	0.9
104.10731	2.1
116.07051	2.4
118.08573	1.3
119.01881	5.3
124.98395	0.8
128.07056	1.2
130.04984	1.7
130.08629	6.8
131.01920	1.1
133.03432	0.9
137.02939	1.5
142.08594	1.1
143.01830	1.5
144.63564	0.8
146.08093	2.1
147.04340	1.2
148.05995	0.9
150.85159	0.9
157.03386	1.2
158.08049	3.1
161.02913	2.8
169.01057	1.0
175.04405	0.8
183.11249	1.4
185.03033	1.1
187.00761	1.7
187.02541	1.4
187.10843	1.2
201.12311	1.8
206.07008	2.4
212.07637	0.9
215.00308	1.5
215.07623	1.1
223.04747	0.9
223.06731	0.9
229.03157	23.8
229.11728	2.5
245.04982	1.9
247.04193	100.0
247.07767	4.8
247.12897	9.5
247.16211	1.7
247.18459	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	245.0053
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77599	10.7
69.58474	90.1
70.06593	69.8
71.06921	15.9
72.08137	27.8
73.48970	12.6
73.66309	15.2
84.04519	65.9
84.08135	71.3
85.08461	19.5
94.09370	12.5
98.06062	35.4
98.20754	12.6
104.10733	100.0
112.05070	77.9
113.03455	39.8
113.04749	13.2
113.05428	56.2
116.07061	59.2
119.01924	44.0
124.07565	94.1
125.07076	14.1
130.05008	18.3
130.08621	44.1
144.33539	13.3
156.04776	14.6
157.03539	18.8
161.03004	31.1
161.07245	11.8
171.90045	11.8
173.02904	18.6
182.08134	19.5
200.14551	12.1
200.32220	12.7
203.03976	16.4
213.07491	12.9
227.10306	17.0
227.13933	21.8
231.08858	22.5
236.67430	15.0
244.16415	13.6
245.00540	19.2
245.05223	21.3
245.07445	69.9
245.11273	25.6
245.14960	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	245.0917
Annotation	Brunnein A
Peak:m/z	Relative Intensity
55.01854	0.9
55.05492	0.6
60.59162	0.2
62.67377	0.2
67.05466	0.5
68.99779	1.1
69.03409	0.8
69.07063	0.5
69.68230	1.2
69.68639	0.4
70.06562	0.3
72.08136	0.6
81.07045	0.6
83.04948	0.2
83.08628	0.3
84.04523	0.3
84.08130	0.6
86.09691	2.8
87.00788	1.2
87.44857	0.2
91.05480	0.5
93.06998	0.8
95.08573	0.5
95.30925	0.2
97.06532	0.4
97.10140	0.3
98.21434	0.4
99.90736	0.2
105.07021	0.6
107.08554	0.5
111.04347	0.4
113.03442	0.4
115.05436	2.7
117.05726	2.9
118.06522	2.7
119.08604	0.4
121.06520	0.4
121.10082	0.3
129.06982	2.2
130.06503	9.6
130.07494	0.5
131.07224	0.3
131.08566	0.3
132.08063	49.8
133.08423	0.6
133.10043	0.3
135.08026	0.4
140.04926	0.6
142.03185	0.9
142.06499	7.0
142.07645	0.5
143.07259	0.8
143.08446	0.5
144.04443	0.4
144.07997	0.7
154.06490	1.2
156.06783	0.4
156.08072	4.4
156.09276	0.5
157.07582	6.4
157.08853	0.4
157.10095	0.7
158.06058	1.4
158.08368	6.3
158.09549	0.2
159.09145	100.0
160.06219	0.5
160.07545	8.5
160.09550	0.8
167.05997	3.1
170.05969	3.3
171.06755	0.5
171.09149	1.0
171.11667	0.3
172.07471	1.5
181.07582	1.8
182.05972	1.1
183.09125	1.6
184.07541	17.8
185.07066	48.0
186.07451	0.5
199.08653	2.4
199.11133	1.6
200.07024	7.8
201.10188	15.0
202.10468	0.3
203.06873	0.3
203.10538	0.5
209.07062	2.1
212.08206	0.4
217.12227	0.3
227.08107	46.3
228.08394	0.8
245.09189	35.9
246.09389	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0951
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04674	0.2
53.03960	0.3
55.05487	0.9
56.05027	0.3
69.03413	0.3
69.07050	0.6
70.06572	0.4
70.28439	0.9
72.08132	0.6
72.93771	0.6
76.02204	1.1
79.05474	3.3
80.04993	0.6
81.05772	2.7
81.07040	3.8
82.06561	0.5
84.04475	1.0
84.08122	1.0
86.06054	0.5
86.09683	0.9
90.94820	0.7
94.06544	1.8
96.04482	0.8
96.08115	14.8
97.06447	0.3
106.06528	2.1
108.95810	0.4
110.07123	0.3
113.03457	0.3
113.04224	0.3
120.08138	0.3
122.02713	2.0
122.06052	0.4
124.07566	100.0
125.07938	0.8
129.10173	0.4
130.04962	0.6
142.03165	0.4
143.11774	0.3
149.96066	0.4
156.04750	14.3
157.06454	0.4
167.97145	0.4
172.97626	0.4
199.08974	8.0
228.06845	2.3
228.12308	0.3
245.09517	14.8
268.28278	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1746
Annotation	Valeroidine
Peak:m/z	Relative Intensity
55.01869	4.3
55.05485	2.0
56.05004	2.0
59.05005	0.6
66.79014	0.6
67.05473	2.4
68.04993	1.9
69.03412	3.2
69.07059	1.3
69.93134	3.2
70.06578	6.3
71.04605	1.2
71.04979	21.9
71.08242	0.6
71.08618	11.5
72.08114	0.9
75.17171	0.6
78.06558	0.7
79.05480	1.2
80.05005	0.8
81.03386	0.8
81.07033	3.6
82.06516	0.6
82.07362	0.6
83.04968	3.0
83.08620	0.7
84.08113	1.0
85.02879	0.8
85.06529	0.7
86.06043	3.3
88.07545	0.6
91.05444	0.9
93.06993	1.2
94.06535	1.1
95.04926	1.1
95.08575	1.7
95.33965	0.6
96.08109	22.0
97.02855	1.7
98.06028	0.9
98.09670	16.2
98.20845	1.2
98.36396	0.6
99.08075	8.0
100.07579	1.3
105.06976	0.7
106.06557	0.6
108.08115	4.2
109.10146	0.7
111.04413	2.5
112.07571	1.1
115.03828	0.8
119.08606	0.9
119.35912	0.6
121.10098	0.7
122.05998	9.8
124.07511	0.7
125.08333	0.9
126.09125	1.4
126.12747	2.2
136.07520	0.9
139.11111	0.9
140.07036	8.0
151.03796	0.7
151.11110	1.2
154.12250	4.0
161.09550	0.8
178.15883	5.5
179.14336	0.7
196.16934	11.3
206.15346	10.9
224.16405	100.0
225.16727	1.8
242.10085	2.4
242.17465	2.7
242.28413	1.2
243.11411	0.9
244.95236	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1896
Annotation	(3S,9Z)-1,9-Heptadecadiene-4,6-diyn-3-ol
Peak:m/z	Relative Intensity
53.03936	2.7
55.05498	8.1
55.93512	1.3
57.03415	1.9
65.03941	1.3
65.68829	1.2
67.05489	12.3
69.03070	1.6
69.03413	15.7
69.07066	7.1
70.06569	1.4
70.81665	3.1
71.04973	2.9
72.93769	3.3
77.03944	1.8
79.05479	12.0
81.03386	5.2
81.06583	2.2
81.07040	35.6
81.07518	2.2
83.04984	2.3
83.08584	4.0
85.02880	2.4
85.06525	24.1
86.09693	1.6
87.04453	1.3
90.94803	3.4
91.05466	19.0
93.07026	30.0
95.04952	5.7
95.08589	25.8
97.02878	16.1
97.06507	6.0
97.10133	1.9
99.08087	1.7
103.04787	2.1
103.05442	28.9
105.07011	44.7
107.08569	31.3
109.10135	14.1
111.08031	2.7
114.03782	1.3
115.03902	2.6
115.05430	3.5
117.06998	6.6
119.08557	34.1
120.09321	1.4
121.06463	2.6
121.10113	14.0
123.08021	2.3
123.11691	3.5
128.06203	5.5
129.06976	10.5
130.07767	2.1
131.04903	87.4
131.08531	19.3
132.05235	4.2
133.06451	2.2
133.10106	17.4
135.08011	3.0
135.11636	9.1
137.09624	2.3
141.06967	1.9
142.03171	3.3
142.07744	5.5
143.08533	18.7
145.06479	1.6
145.10100	37.5
146.07230	2.8
146.10829	1.5
147.07970	4.8
147.11661	36.7
148.08807	2.1
149.05946	2.2
149.09607	2.9
149.13220	11.7
151.11136	3.0
153.06949	3.6
155.08519	5.2
156.09303	5.6
157.06488	2.8
157.10091	24.6
159.08000	1.7
159.09196	1.5
159.11664	19.2
161.09581	2.0
161.13213	5.1
163.11179	2.3
165.06996	1.5
167.97144	2.2
169.10081	1.5
170.10880	1.6
171.08057	3.8
171.11649	31.7
172.97766	2.3
173.09596	1.6
173.13234	5.2
175.11130	1.9
181.06433	1.9
181.10074	2.6
183.07906	2.4
185.05878	1.4
185.13226	15.6
187.07489	1.6
187.14786	15.5
189.12704	2.8
190.98694	1.9
199.11171	4.9
199.14810	14.3
201.09140	1.5
201.16335	13.7
203.14282	2.6
203.17915	2.6
217.12318	2.4
217.15816	3.3
217.19424	4.8
227.10567	3.9
227.17900	51.7
237.28568	1.4
245.07840	7.2
245.11685	16.5
245.15347	4.2
245.18961	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1856
Annotation	Ile Ile
Peak:m/z	Relative Intensity
50.29097	0.3
69.07049	0.5
69.52719	0.3
70.68362	0.8
70.68707	0.3
76.26084	0.2
84.08099	0.4
84.34808	0.2
85.56579	0.2
86.09692	100.0
87.10044	0.3
87.85105	0.3
95.63219	0.3
132.10185	4.8
142.03156	0.4
199.18034	2.1
217.08514	0.3
239.10019	0.3
242.38478	0.3
245.08109	0.5
245.18567	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	241.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06001	0.3
53.03932	1.2
55.05497	1.1
57.03427	3.3
67.02312	0.3
67.05479	0.5
69.03423	1.8
69.07043	0.5
71.00217	0.8
72.70860	0.3
75.04475	2.1
75.73102	0.3
77.03910	0.4
79.05476	8.1
81.07041	1.6
91.05461	7.4
93.07025	55.6
93.96671	0.3
95.04935	1.8
95.08585	0.7
97.71025	0.3
99.04442	0.3
103.05434	0.7
105.07014	6.9
106.07800	0.5
107.04933	0.8
107.08581	2.5
109.06509	0.4
111.08063	1.6
116.06241	0.4
119.08573	2.1
121.06506	0.9
121.10120	100.0
122.10455	0.7
123.08062	1.8
123.11650	0.4
125.05962	0.4
128.14024	0.3
129.06947	0.7
131.08553	5.6
133.07541	0.5
139.11163	0.8
149.09593	23.2
167.10635	8.9
184.08727	0.4
214.79932	0.3
223.13234	1.4
223.16850	0.5
241.14180	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	241.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75645	0.2
56.93311	0.2
58.06590	5.2
60.08155	2.8
69.22382	0.8
69.22809	1.2
70.06573	0.7
70.88364	0.2
72.01505	0.2
79.82874	0.2
84.08135	3.0
94.06544	0.7
98.09666	0.4
104.10725	100.0
105.11043	0.5
108.98427	0.2
112.05045	0.6
126.05395	0.2
128.10710	1.3
133.83081	0.2
144.10168	0.3
152.07034	0.6
188.07599	0.3
196.09642	1.5
206.08737	0.2
222.77359	0.2
222.99940	0.2
241.15428	33.4
242.08847	0.3
242.15822	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1543
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
54.86749	0.2
58.06591	12.9
61.08552	0.2
69.03407	0.8
70.06589	1.9
71.04484	0.4
71.04827	0.4
72.08126	0.6
81.03400	0.5
84.08125	6.7
85.02889	0.3
85.06500	0.2
88.38648	0.2
97.02871	0.5
98.09673	1.1
98.97517	0.2
114.05501	0.5
116.07111	0.2
118.78030	0.2
126.05511	0.3
128.10709	3.3
143.77986	0.2
144.10158	0.9
158.01216	0.3
158.08063	0.3
164.07001	0.3
168.10190	0.8
196.09657	4.4
213.15901	0.4
226.15390	0.2
241.15430	100.0
242.15773	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.102
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59377	0.4
52.55404	0.4
53.95755	0.4
55.01869	1.4
55.05511	0.6
55.41341	0.4
56.05013	1.1
57.03428	10.7
57.99339	0.4
58.06585	0.5
58.99586	0.8
65.03932	0.7
67.05490	3.0
68.05024	0.8
69.03416	0.8
69.07059	67.3
69.44392	2.0
69.44825	1.6
70.02909	0.4
70.06582	11.4
70.07395	0.6
72.08140	2.7
73.02913	0.6
74.06075	0.8
79.05470	0.8
79.11043	0.5
80.05040	0.4
81.03377	0.8
81.04554	0.7
81.07052	1.0
83.06084	1.4
84.04498	3.2
84.08134	3.5
85.02914	1.0
85.06544	0.4
86.09698	5.8
86.88818	0.4
88.03999	0.9
94.06564	0.6
95.01304	0.5
95.04964	6.6
95.26165	0.4
97.06514	6.6
108.08131	0.6
110.06036	0.8
110.07168	1.6
111.04410	0.6
112.07587	15.1
116.06973	0.6
122.06023	1.1
123.04417	4.4
124.03925	2.8
129.05492	1.3
129.10249	2.4
130.06534	0.7
132.10133	1.1
136.07579	1.0
138.05455	3.7
140.07042	72.6
141.05458	3.1
141.07356	0.6
145.06456	0.8
150.05525	0.6
150.09158	0.6
154.08713	0.5
156.07658	0.6
157.01332	0.6
157.07611	2.0
161.05951	0.5
164.07025	0.7
168.06535	100.0
169.06563	0.6
189.03889	0.9
192.06564	1.5
196.04266	1.2
196.09666	2.1
197.05983	1.0
197.12773	1.0
206.08141	0.5
215.07094	0.5
224.09070	2.2
225.15933	1.3
225.19586	0.5
227.13356	0.4
242.05058	2.1
242.10216	59.1
242.15356	1.6
242.18599	1.3
242.22203	1.2
243.06433	0.8
243.13399	0.6
251.12320	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.159
Annotation	Salbutamol
Peak:m/z	Relative Intensity
55.01866	5.6
56.05014	0.7
56.83957	0.6
62.08852	0.6
65.90434	0.7
67.05483	2.0
68.04998	1.9
69.03412	0.7
69.07055	9.4
69.50926	1.2
69.51345	3.9
69.98689	0.6
70.02933	1.4
70.06208	0.9
70.06580	15.0
71.04603	1.0
71.04977	14.4
71.99004	0.7
79.05468	2.9
81.07034	2.3
82.06557	1.1
84.02104	1.7
84.04466	0.9
86.06047	2.3
91.05459	0.9
93.07008	0.8
94.06551	1.6
95.68304	0.6
96.04469	1.7
96.08116	17.0
97.05283	0.8
97.06550	0.6
98.06033	1.2
98.09680	6.8
106.06548	4.2
107.08645	1.2
108.08102	3.9
109.06514	0.7
109.10118	0.9
109.89469	0.7
115.24012	0.6
122.06017	8.7
124.07571	54.1
124.11127	1.1
125.08366	3.3
126.09119	1.2
136.07591	1.1
140.07054	8.3
148.07524	0.6
150.12758	5.3
152.07037	2.7
152.10661	1.7
153.07823	8.5
154.08621	0.8
166.08662	0.8
176.14302	2.7
194.15355	6.2
204.13799	6.2
222.14853	100.0
240.15907	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	241.1429
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
53.03931	1.1
54.08292	0.9
55.01859	1.5
55.05497	5.5
55.53279	0.9
57.03427	6.9
57.07062	1.3
58.23675	0.9
60.84179	0.9
67.05489	7.4
69.03409	6.8
69.07054	5.2
69.94498	1.6
69.94818	5.8
71.04967	9.3
71.08612	0.9
72.08152	0.9
75.04449	3.8
79.05477	10.9
81.03416	2.0
81.07031	11.5
83.04947	4.3
83.08610	5.2
85.02894	2.9
85.06535	5.7
86.09691	1.8
87.04436	1.1
91.05460	12.5
93.07024	58.0
95.04955	5.3
95.08596	15.6
97.02847	2.9
97.06498	3.3
97.10130	1.9
99.04436	30.4
105.03327	1.3
105.07007	19.5
107.04955	2.5
107.07954	1.5
107.08582	17.3
109.06499	10.8
109.10144	7.0
111.04414	1.7
111.08067	5.6
113.02318	1.2
113.05972	1.3
113.09606	3.9
115.03886	2.3
117.06989	2.4
119.08557	9.7
121.06501	5.4
121.10121	100.0
122.68405	1.0
123.08051	18.1
125.05948	3.4
125.09601	13.3
127.03886	1.0
130.07707	1.2
131.08533	8.6
133.10103	3.2
135.08015	2.7
135.11655	4.6
137.09601	6.5
139.07520	3.6
139.11148	6.5
141.09061	3.2
143.08508	1.2
143.10663	8.9
145.10089	15.2
147.08023	3.2
149.05968	2.9
149.09592	25.2
153.09076	1.7
153.12717	2.0
159.11664	3.9
161.09549	1.9
163.07521	1.2
163.11143	29.5
165.09059	3.1
167.06995	1.9
167.10637	16.5
177.12720	5.1
179.10634	2.0
181.06308	1.7
181.12209	12.4
183.10178	2.2
187.11192	3.1
195.13719	1.7
197.11586	1.5
205.12199	9.5
221.07375	1.0
223.09776	1.6
223.13248	12.2
230.07970	1.3
239.08586	0.9
241.08644	3.5
241.11902	1.3
241.14293	18.4
241.19641	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
53.15237	0.7
55.01862	2.2
55.05505	10.3
56.05029	1.3
56.67232	0.7
57.03423	2.4
57.07061	5.1
59.04977	1.0
60.04514	0.8
65.03944	1.8
67.05492	38.8
68.05035	1.1
69.03415	4.7
69.07055	10.9
69.07402	0.9
70.06577	7.1
71.04976	6.2
71.08617	2.9
71.54790	1.3
72.08144	98.4
73.02905	1.5
79.05479	8.1
80.51153	0.7
81.03399	3.4
81.07043	32.4
82.06573	1.4
83.04965	5.2
83.08601	5.1
84.04497	4.8
84.08123	5.5
85.02886	1.9
85.06528	2.2
86.09696	3.5
87.04463	0.8
88.02194	0.8
89.06013	16.6
89.10777	2.8
91.05462	11.5
93.07034	9.2
95.01309	1.3
95.04950	13.0
95.08588	11.2
96.04492	1.4
97.02843	1.1
97.06520	2.2
97.10148	2.0
98.06035	11.1
98.09695	0.8
98.97527	0.8
99.04449	3.2
99.08074	2.5
100.07611	1.2
103.05473	1.4
105.03365	1.4
105.07009	9.0
106.06541	1.8
107.04957	2.3
107.06944	2.3
107.08578	9.4
109.02821	0.7
109.06487	8.6
109.10138	13.7
110.06040	1.3
110.10442	0.8
111.04426	2.3
111.08050	1.3
112.07605	2.0
112.36869	0.7
113.03474	2.5
113.05996	4.4
115.05422	0.8
115.08685	1.4
117.07006	3.5
119.04924	1.2
119.08562	29.0
120.08086	1.6
120.08883	1.1
121.06499	1.8
121.10139	2.9
123.04424	1.3
123.08059	3.5
123.11672	6.2
124.07572	2.7
125.06009	1.2
125.09578	1.8
126.09174	1.6
127.03909	1.0
129.10248	1.0
130.08641	0.9
131.08563	1.0
133.06470	2.2
133.08574	6.2
133.10103	14.9
135.04436	1.2
135.08020	2.6
135.11620	1.1
137.05949	6.7
137.09622	2.6
138.05495	4.2
138.06497	0.7
138.09125	1.2
139.07558	1.4
140.08260	1.8
141.09065	2.0
143.08588	0.9
145.06520	0.9
147.04387	2.6
147.08028	6.7
147.11665	3.1
149.09618	1.1
151.03870	1.4
151.07556	1.2
151.09880	1.0
151.11145	9.9
152.10660	5.2
153.09091	1.0
154.12166	0.8
155.06996	1.0
157.10098	1.0
161.05980	2.2
161.09586	3.1
163.07475	1.4
165.05440	8.6
165.09044	3.5
166.04991	2.6
167.07085	0.8
168.05647	1.7
168.13831	5.7
175.07539	1.4
175.11111	4.6
176.10637	0.9
177.12645	1.1
179.07057	1.5
179.10649	2.9
180.13800	13.4
185.09445	0.8
193.05093	0.8
193.06847	1.8
193.08371	1.4
193.09871	1.0
193.12236	3.8
195.12329	0.8
197.08055	2.6
203.10631	3.2
204.10281	1.3
209.00887	0.8
209.11577	1.3
221.07985	1.3
221.11603	7.9
221.15152	1.0
222.18491	100.0
223.18199	2.2
239.05383	1.6
239.08932	7.1
239.12781	4.7
239.14546	3.5
239.21143	93.8
240.06514	1.3
240.08708	3.3
240.12392	1.7
240.15778	1.6
240.21187	2.1
240.38849	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2364
Annotation	Bombykol
Peak:m/z	Relative Intensity
53.00289	0.7
53.03927	0.9
55.05225	0.8
55.05497	15.4
57.07063	100.0
59.04968	0.5
65.03931	1.0
67.05489	33.3
69.07053	20.2
70.07832	0.4
70.60931	1.1
70.61298	0.8
71.05002	1.0
71.08615	65.5
72.04497	1.2
75.47919	0.4
76.28846	0.5
79.05475	2.6
81.07037	36.7
83.08598	21.7
83.09107	0.7
84.91709	0.4
85.06535	2.2
85.10163	33.1
88.02193	0.8
88.70962	0.4
89.06012	1.8
91.05437	0.5
93.07020	2.1
95.08586	54.1
96.08885	0.6
97.10145	10.2
99.08057	1.4
99.11726	1.3
108.12733	0.4
109.10128	22.5
111.11671	1.5
123.11677	7.4
133.08549	0.6
137.13184	2.6
151.14793	1.0
165.16266	0.6
176.23479	0.5
183.17473	0.4
239.08774	1.8
239.12512	0.5
239.17720	0.7
239.23697	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	239.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	12.2
53.04175	0.6
55.01857	3.6
55.05502	4.7
57.03397	1.4
57.07029	2.3
67.05492	18.5
69.03380	2.0
69.07055	36.9
70.06554	1.1
70.80643	1.8
71.04974	2.9
72.08141	49.9
79.05476	10.7
81.03401	77.5
81.07039	21.9
83.04970	15.5
83.08560	2.3
84.08096	2.5
85.02884	0.9
85.06490	1.2
89.05973	2.2
89.10775	12.2
91.05473	7.1
93.07023	10.0
95.04950	40.0
95.08583	6.0
97.06475	1.1
97.10112	0.7
98.06007	2.2
98.09666	1.0
99.04405	2.0
99.08068	0.9
100.07554	1.5
105.06410	0.6
105.07017	8.4
107.04913	0.8
107.08569	6.9
109.02826	1.9
109.06493	6.9
109.10139	5.8
111.04403	1.5
111.08035	0.8
114.09096	0.6
115.08683	3.0
117.06978	0.7
119.04906	0.8
119.08501	1.7
121.06436	1.2
121.10070	1.1
123.08023	2.6
123.11687	3.5
125.09615	0.8
126.15806	0.6
133.08551	1.1
133.10103	14.0
135.11678	0.7
137.09642	0.8
137.13185	0.8
143.08521	1.0
147.04306	1.4
147.11620	1.4
151.11148	66.5
152.11436	1.3
155.08571	0.8
157.10107	0.8
168.13763	2.1
175.11075	0.6
179.07033	1.0
180.13808	1.0
190.06281	0.7
191.03288	0.8
195.07956	1.0
197.13237	0.7
206.05692	0.7
221.08057	5.0
221.11536	0.9
221.15256	0.9
222.18481	90.0
223.18845	2.1
239.08978	3.8
239.12737	2.4
239.21133	100.0
240.12453	0.8
240.21440	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	239.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.2
55.05503	36.7
57.03421	6.8
57.07052	16.5
65.03925	5.3
67.05491	71.7
69.07050	26.7
69.96230	4.4
70.06567	5.2
71.04980	15.9
71.08616	12.9
71.54258	5.4
72.08115	8.6
79.05476	89.3
81.03402	7.6
81.07039	68.0
83.04971	38.1
83.08606	18.8
83.92853	4.9
84.08119	4.8
85.06483	9.8
89.06018	42.4
91.05453	69.5
93.07029	100.0
95.04955	22.9
95.08582	57.9
97.06502	8.3
97.10136	6.6
99.04420	13.2
105.07019	51.0
107.08569	29.1
109.06475	11.3
109.10139	13.7
111.04411	5.9
117.06969	10.4
119.08556	27.7
121.10114	13.7
123.08057	16.1
123.11642	7.0
124.31236	5.5
127.07543	5.2
128.06134	6.3
129.06956	19.9
133.03534	5.0
133.08589	16.2
133.10138	13.0
135.11719	6.8
141.10597	5.5
141.79948	5.0
143.08540	13.7
144.98207	6.6
145.10088	16.3
147.08023	5.4
147.11644	74.0
153.36786	5.2
155.08469	7.3
161.09564	7.1
161.13210	25.5
169.10046	6.6
171.11649	51.7
179.08501	11.9
180.09418	8.6
189.12753	22.7
193.12042	6.9
197.09492	5.9
198.18474	11.6
207.13797	22.7
211.14763	6.7
221.15306	6.8
238.68063	7.2
239.08806	56.9
239.10635	5.5
239.14253	14.6
239.18240	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	239.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02353	0.8
53.03937	12.8
55.01872	3.8
55.05270	0.6
55.05496	6.1
57.03420	1.7
57.07036	2.7
63.97761	0.7
65.03932	0.8
67.05497	20.0
67.05836	0.7
69.03401	1.8
69.07056	27.8
69.38561	6.2
70.06562	1.5
71.04951	2.7
71.08600	0.8
72.08144	47.6
79.05484	7.1
81.03403	77.0
81.07040	22.2
83.04962	14.6
83.08578	1.9
84.04472	1.5
84.08099	2.1
85.02882	0.9
85.06505	1.2
86.49781	0.9
89.06014	1.7
89.10770	7.7
91.05470	7.9
93.07026	6.5
95.04951	29.4
95.08590	5.5
97.06498	0.8
97.10097	0.9
98.06020	2.8
98.20731	1.3
99.04404	1.5
100.07562	0.9
101.17234	0.7
105.07019	7.6
107.04883	0.8
107.08578	6.1
108.20938	0.7
109.02832	1.4
109.06508	6.1
109.09578	0.6
109.10143	6.8
110.05962	0.6
111.04399	0.9
113.05947	0.8
115.08669	1.4
118.20274	0.6
119.04886	1.7
119.08552	2.0
121.10092	1.0
123.08025	2.2
123.11710	3.6
124.07584	0.8
125.09585	0.9
131.08430	0.7
133.06412	0.9
133.08551	1.3
133.10095	6.7
135.11684	0.9
137.05946	1.0
137.09653	1.2
139.63293	0.7
147.04361	2.9
147.11624	0.7
151.11156	60.9
152.11499	0.8
157.10133	1.0
161.05931	0.8
161.09567	0.8
162.06708	0.9
163.03857	1.9
168.13768	1.4
175.03854	3.0
175.11092	1.0
178.06190	1.6
180.13870	4.6
183.11653	1.0
190.06212	3.4
191.03337	2.2
193.08522	1.8
197.08217	0.8
197.13196	1.3
203.17851	1.2
206.05589	1.2
207.06499	2.7
221.08080	13.0
221.15341	0.9
222.18491	92.1
223.18787	1.9
233.12300	0.7
239.07054	0.6
239.08923	5.6
239.12674	1.8
239.21144	100.0
240.21503	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.9
57.03423	0.9
57.07033	0.6
62.43745	0.5
67.05492	4.6
69.03402	1.4
69.07058	0.8
70.06583	0.8
70.84634	1.7
71.04973	1.1
72.08140	6.4
73.06548	0.6
79.05495	0.8
81.07027	3.7
84.08110	0.7
85.06483	1.0
87.04460	1.7
89.06014	100.0
91.05476	1.7
93.07041	1.0
95.01318	0.9
95.04953	2.3
95.08567	1.4
98.06043	0.6
106.06579	0.8
107.07023	4.2
107.08559	1.1
109.06487	1.5
109.10141	1.6
119.08573	3.5
123.08028	0.8
128.77997	0.5
130.08624	0.8
133.08582	40.8
133.10165	1.7
137.05954	0.9
138.05528	3.1
138.74800	0.6
141.09094	0.7
147.08003	0.9
151.09633	2.7
151.11104	0.6
161.09602	1.0
165.05470	2.1
166.04973	2.3
175.11223	0.9
177.11195	5.3
179.07051	0.7
179.10588	0.8
180.13914	0.6
187.10501	0.6
193.06860	0.7
193.12216	1.0
195.12282	1.6
197.08061	0.5
221.11702	1.4
222.18510	6.3
239.09056	1.6
239.12611	1.2
239.14871	11.4
239.21178	5.4
240.08705	0.9
248.27612	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1274
Annotation	3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoate
Peak:m/z	Relative Intensity
53.03945	1.5
55.01865	2.3
55.05499	3.3
57.03426	7.2
57.07071	1.5
58.06598	0.6
59.04993	1.0
59.42882	0.6
65.03921	0.9
67.05489	7.2
67.05791	0.8
67.42199	0.7
69.03416	1.9
69.07058	2.1
69.59824	3.1
70.06587	1.8
71.04990	1.7
71.08574	0.6
72.08141	7.0
73.02912	1.6
75.04469	0.9
77.03858	0.5
79.05479	8.0
81.03406	2.4
81.07041	12.4
83.01377	0.5
83.04964	1.7
83.08621	0.9
84.08142	3.9
85.02894	1.5
86.09689	1.2
89.06025	2.4
91.05465	31.5
93.03368	0.7
93.05515	0.7
93.07024	22.0
95.04931	4.9
95.08588	10.0
97.02872	1.2
97.06523	1.7
98.06034	1.0
99.04436	1.3
100.07651	0.6
103.03925	2.0
103.05447	1.9
104.06224	1.0
105.04456	0.7
105.06999	7.7
107.04940	1.7
107.08575	5.1
108.11128	0.5
109.02878	1.3
109.06498	5.1
109.10136	5.3
110.06039	0.6
110.94916	0.5
113.05956	1.3
115.05441	1.2
117.06989	8.0
119.04945	1.3
119.08556	100.0
120.08090	1.3
121.02891	0.6
121.06456	1.7
121.10126	2.6
123.04395	1.6
123.08038	3.0
123.11748	0.7
125.05916	0.7
125.09554	0.7
129.05421	2.4
129.06969	2.2
131.08479	0.7
133.06450	0.9
133.08560	1.3
133.10103	2.7
135.08089	3.3
137.05954	4.3
137.09592	6.1
139.07471	0.8
141.09079	0.7
145.10110	0.7
146.57454	0.5
147.04448	0.7
147.08017	26.4
147.11629	0.9
148.03912	0.6
149.09543	0.6
151.07510	1.5
151.11092	0.9
155.07004	2.2
157.10101	0.8
159.06502	0.7
161.05904	0.8
161.09529	1.1
163.07491	0.6
165.05504	3.2
165.07796	0.8
165.09090	13.7
171.06468	1.0
175.11224	1.3
179.10585	0.9
180.13779	0.8
183.06419	0.7
183.10155	1.7
191.10812	0.7
193.08611	1.1
193.10574	0.6
193.12112	1.1
197.07948	0.6
203.10629	1.6
208.02017	0.5
209.11710	5.1
220.69688	0.5
221.07988	0.9
221.11600	6.4
221.15117	0.7
222.18500	4.9
239.05278	1.0
239.08742	2.9
239.12674	24.8
239.16470	0.9
239.21147	4.2
240.12488	0.6
240.18608	0.6
255.96925	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1273
Annotation	3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoate
Peak:m/z	Relative Intensity
53.03922	1.9
55.01836	1.6
55.05492	1.9
57.03409	4.7
59.04989	1.4
67.05477	3.4
69.03413	2.2
69.07050	2.5
70.37208	2.6
70.37867	1.0
70.61601	1.0
72.08134	2.6
73.02888	1.2
79.05476	8.1
81.07041	17.6
83.04965	6.7
83.51958	1.1
84.08131	1.2
85.06519	1.5
89.05991	4.4
91.05465	28.4
93.06453	1.6
93.07021	19.6
95.04945	6.0
95.08588	6.4
97.06498	4.8
103.03891	1.8
103.05475	1.7
105.07019	5.4
107.04933	2.4
107.08557	4.2
109.06499	9.3
109.10139	3.1
111.08056	1.5
113.05926	1.9
117.06982	7.1
119.04957	1.8
119.08560	100.0
121.06490	2.2
121.10117	2.3
123.04385	2.0
123.08073	1.7
125.06042	1.7
127.07529	1.6
129.05467	2.5
129.06960	1.9
133.06432	1.5
133.08568	1.9
133.10110	2.8
135.08061	2.5
135.11655	1.3
137.05951	10.6
137.09589	4.7
147.08011	22.8
147.11690	1.8
155.07005	2.3
161.09622	1.8
163.11183	1.2
165.05511	2.5
165.09091	9.4
170.04762	1.0
173.09537	2.5
175.11150	4.5
179.10614	3.7
191.10657	3.0
192.58742	1.0
193.12193	3.9
200.44270	1.1
203.10638	3.1
209.11617	1.8
221.11714	8.2
239.09077	1.8
239.12738	36.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45778	1.3
55.01875	2.5
55.05506	5.7
55.38058	1.1
57.03408	1.9
57.07048	1.9
57.85368	1.2
58.06541	1.0
59.04993	1.6
63.07450	1.2
65.03951	1.2
67.05493	8.7
69.03429	5.4
69.03745	1.4
69.07051	7.3
69.80515	2.9
69.80918	4.9
70.06556	3.0
71.04984	7.4
72.08131	3.6
73.02879	1.2
76.64922	1.1
79.05480	7.4
81.03364	2.2
81.07036	19.3
83.04953	5.4
83.08598	2.3
84.08108	4.3
85.02866	1.3
85.06536	3.1
86.09694	4.3
87.10010	1.7
91.05469	18.4
93.07028	15.3
95.04953	5.9
95.08594	10.4
97.02898	1.9
97.06487	3.4
97.10124	1.5
99.04420	1.9
99.08082	3.7
103.05428	5.7
105.07001	12.8
107.04914	5.4
107.08565	12.5
109.06492	5.4
109.10162	7.6
111.04414	3.0
111.08031	3.2
115.05425	9.6
116.06216	4.0
117.07005	8.2
119.08555	9.0
120.08071	2.6
121.06454	5.3
121.10101	8.5
123.08044	3.9
123.11671	3.2
124.07567	1.7
125.09589	2.2
127.11139	3.1
128.06189	5.2
129.06995	24.2
130.07829	1.7
131.04900	7.3
131.08537	30.9
133.06438	2.7
133.10115	9.6
135.04311	1.9
135.08029	5.3
135.11650	3.9
137.05952	2.2
137.09605	1.8
139.11125	2.3
141.06956	13.6
143.04866	2.6
143.08565	1.4
144.05675	18.5
145.06467	7.3
145.10115	5.8
146.05920	1.4
146.07187	1.4
147.08026	3.2
147.11646	2.7
148.05180	3.9
149.05914	1.3
149.09578	4.0
149.13220	1.7
151.07458	2.0
151.11168	6.2
153.05493	1.6
153.12831	1.4
155.04825	1.8
157.06467	10.2
157.10083	1.8
158.07280	5.9
159.04401	2.0
159.08029	38.3
159.11615	6.1
160.05180	1.5
161.05951	4.5
161.09514	1.8
161.13228	2.7
163.07500	5.3
163.11136	2.5
163.14772	1.2
167.07002	1.3
169.06407	2.7
169.07611	4.4
170.07234	2.5
172.05118	3.9
173.05930	2.7
173.13226	3.8
174.06728	14.1
175.07515	13.4
175.14842	1.6
176.04590	1.9
176.14307	1.9
177.00748	1.7
177.05411	5.1
177.09154	3.2
177.12709	3.3
181.04877	1.3
181.08594	1.6
183.11777	1.3
186.06683	4.5
187.07510	28.7
188.08173	2.8
189.09070	26.4
191.06981	8.6
191.10611	4.0
191.14227	1.5
192.06491	3.3
192.07904	2.4
193.08630	1.6
195.10078	1.2
195.11827	1.4
201.09109	8.3
201.12697	1.3
201.16348	4.5
204.07756	2.6
205.08487	3.6
207.10185	9.6
219.06583	3.9
219.10123	100.0
219.13715	5.7
219.17346	4.2
220.10510	1.9
220.17055	1.8
237.03725	2.4
237.07320	3.3
237.09169	2.1
237.11090	23.1
237.14594	7.0
237.18315	8.9
237.22119	4.5
238.17989	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1115
Annotation	Methyl anodendroate
Peak:m/z	Relative Intensity
53.45778	1.3
55.01875	2.5
55.05506	5.7
55.38058	1.1
57.03408	1.9
57.07048	1.9
57.85368	1.2
58.06541	1.0
59.04993	1.6
63.07450	1.2
65.03951	1.2
67.05493	8.7
69.03429	5.4
69.03745	1.4
69.07051	7.3
69.80515	2.9
69.80918	4.9
70.06556	3.0
71.04984	7.4
72.08131	3.6
73.02879	1.2
76.64922	1.1
79.05480	7.4
81.03364	2.2
81.07036	19.3
83.04953	5.4
83.08598	2.3
84.08108	4.3
85.02866	1.3
85.06536	3.1
86.09694	4.3
87.10010	1.7
91.05469	18.4
93.07028	15.3
95.04953	5.9
95.08594	10.4
97.02898	1.9
97.06487	3.4
97.10124	1.5
99.04420	1.9
99.08082	3.7
103.05428	5.7
105.07001	12.8
107.04914	5.4
107.08565	12.5
109.06492	5.4
109.10162	7.6
111.04414	3.0
111.08031	3.2
115.05425	9.6
116.06216	4.0
117.07005	8.2
119.08555	9.0
120.08071	2.6
121.06454	5.3
121.10101	8.5
123.08044	3.9
123.11671	3.2
124.07567	1.7
125.09589	2.2
127.11139	3.1
128.06189	5.2
129.06995	24.2
130.07829	1.7
131.04900	7.3
131.08537	30.9
133.06438	2.7
133.10115	9.6
135.04311	1.9
135.08029	5.3
135.11650	3.9
137.05952	2.2
137.09605	1.8
139.11125	2.3
141.06956	13.6
143.04866	2.6
143.08565	1.4
144.05675	18.5
145.06467	7.3
145.10115	5.8
146.05920	1.4
146.07187	1.4
147.08026	3.2
147.11646	2.7
148.05180	3.9
149.05914	1.3
149.09578	4.0
149.13220	1.7
151.07458	2.0
151.11168	6.2
153.05493	1.6
153.12831	1.4
155.04825	1.8
157.06467	10.2
157.10083	1.8
158.07280	5.9
159.04401	2.0
159.08029	38.3
159.11615	6.1
160.05180	1.5
161.05951	4.5
161.09514	1.8
161.13228	2.7
163.07500	5.3
163.11136	2.5
163.14772	1.2
167.07002	1.3
169.06407	2.7
169.07611	4.4
170.07234	2.5
172.05118	3.9
173.05930	2.7
173.13226	3.8
174.06728	14.1
175.07515	13.4
175.14842	1.6
176.04590	1.9
176.14307	1.9
177.00748	1.7
177.05411	5.1
177.09154	3.2
177.12709	3.3
181.04877	1.3
181.08594	1.6
183.11777	1.3
186.06683	4.5
187.07510	28.7
188.08173	2.8
189.09070	26.4
191.06981	8.6
191.10611	4.0
191.14227	1.5
192.06491	3.3
192.07904	2.4
193.08630	1.6
195.10078	1.2
195.11827	1.4
201.09109	8.3
201.12697	1.3
201.16348	4.5
204.07756	2.6
205.08487	3.6
207.10185	9.6
219.06583	3.9
219.10123	100.0
219.13715	5.7
219.17346	4.2
220.10510	1.9
220.17055	1.8
237.03725	2.4
237.07320	3.3
237.09169	2.1
237.11090	23.1
237.14594	7.0
237.18315	8.9
237.22119	4.5
238.17989	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0865
Annotation	L-Formylkynurenine
Peak:m/z	Relative Intensity
55.05492	1.0
55.40456	0.7
56.96529	0.7
60.49991	0.6
67.05478	0.8
69.07063	0.8
70.06570	4.0
70.77875	1.2
70.78214	0.9
71.01354	0.9
71.04961	0.8
72.08126	2.7
74.02430	9.3
79.05467	1.0
81.07046	1.3
81.30343	0.7
83.04942	0.9
84.04411	0.7
84.08131	4.7
86.09694	1.6
88.02196	0.9
88.03979	0.8
91.05454	4.7
93.07028	2.1
94.06551	37.6
95.04930	0.8
95.08567	0.8
99.00803	11.4
100.07587	0.9
103.05453	3.9
104.04975	8.0
106.06516	1.4
107.04915	0.7
111.74558	0.6
116.98580	0.9
117.05528	1.3
118.06522	40.7
120.04446	15.5
120.08084	61.7
122.05990	1.7
124.11192	1.6
128.04904	1.3
129.10262	0.8
130.06496	1.6
131.04900	1.3
132.04433	10.2
136.07555	66.1
140.10580	0.6
146.05983	100.0
147.04329	0.7
147.06252	1.2
148.03900	5.5
149.05954	1.0
150.05484	19.2
155.08121	0.7
156.04417	2.1
159.04350	0.7
163.08647	2.5
164.07047	25.2
166.12221	0.9
172.95296	0.9
174.05478	52.0
177.05394	1.8
191.08180	3.5
192.06522	52.0
193.06880	0.9
202.03091	1.2
202.04950	19.6
202.06757	1.4
203.05467	1.1
209.09244	1.0
219.06474	0.7
220.05991	22.7
237.08754	11.8
237.12305	4.9
237.19618	2.3
237.22003	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0867
Annotation	L-Formylkynurenine
Peak:m/z	Relative Intensity
56.05032	0.3
56.96568	0.2
67.94477	0.2
69.21321	0.2
70.04742	0.7
70.06577	0.7
72.08143	0.8
74.02431	6.6
79.05507	0.2
81.03419	0.3
82.06583	0.3
82.78914	0.2
83.08665	0.2
84.08139	0.9
86.09689	0.3
91.05466	0.2
94.06567	0.9
97.02916	0.2
107.06139	0.2
110.07164	0.2
116.07132	0.2
118.06510	1.3
120.08099	1.2
128.04948	2.6
129.10300	0.2
130.06544	0.6
130.08554	0.3
132.04427	0.6
133.12636	0.2
136.07567	0.2
146.05991	100.0
147.06367	1.3
148.03920	1.0
150.07709	0.4
154.94173	0.2
157.07529	0.4
158.06013	0.8
159.02824	0.3
164.07101	0.2
168.04970	0.2
172.95186	0.5
173.07121	0.6
174.05481	0.4
175.08621	0.3
190.96194	0.2
191.08121	1.1
215.61714	0.2
219.07616	2.2
237.08673	7.4
237.12201	0.9
237.22032	0.2
255.14429	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0581
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	2.5
56.05027	31.4
57.07066	2.9
61.01139	100.0
62.49810	1.1
65.03938	1.3
67.05496	4.3
68.05016	2.8
69.07055	13.0
69.82175	5.0
70.06575	12.5
71.04974	1.3
72.08143	2.3
74.02418	4.5
74.06066	1.7
79.05484	1.9
81.03412	1.3
82.06565	2.2
84.04489	1.5
84.08128	56.2
85.02882	1.9
85.08453	1.5
86.06048	2.6
86.09690	8.1
87.00810	4.0
87.02679	1.2
87.10042	1.8
88.03995	1.3
91.05466	11.5
92.05802	1.3
93.07033	1.5
95.04967	1.7
95.08599	1.7
97.06505	3.9
98.06039	22.5
100.03954	4.5
100.07575	1.7
102.05515	5.3
103.05448	4.5
104.05309	14.1
104.06215	2.0
105.07034	3.4
106.06503	1.4
107.04948	3.4
110.06013	3.5
113.05945	1.3
114.30110	1.2
115.05428	6.6
115.07541	11.1
116.05762	6.0
118.06516	3.4
119.04940	5.6
119.07293	11.4
120.05725	1.3
120.08073	6.5
123.44691	1.1
124.03926	10.3
127.08690	2.3
129.10208	8.6
130.04956	3.0
130.06485	1.6
131.04918	2.4
133.03140	2.7
134.05981	4.0
135.06740	3.3
136.07504	1.5
137.05928	1.4
142.04965	66.8
143.04887	2.3
144.05247	12.0
144.06358	2.1
146.05989	5.3
147.04398	3.1
148.04727	5.0
150.05702	2.4
155.08096	2.7
161.05945	4.1
162.06349	15.5
166.08617	2.8
168.09128	1.4
170.04456	26.4
172.04512	3.6
177.05492	1.6
179.03333	1.4
180.10983	1.3
182.08823	1.4
185.09094	1.5
188.05507	50.3
188.06798	1.8
189.05545	2.4
190.05423	55.8
190.08568	2.4
190.12213	15.3
190.60249	1.7
196.08534	5.6
199.60657	2.0
204.59895	8.9
205.09175	4.0
207.08031	1.3
208.11621	1.9
210.06709	1.4
213.60397	7.3
218.05023	4.6
218.08087	3.1
218.11757	3.8
218.59648	5.8
219.06679	1.5
219.08749	1.8
219.11057	1.1
222.11740	2.0
223.07681	1.3
224.08255	2.4
225.09085	3.6
227.60202	6.7
228.10312	2.1
236.06158	9.9
236.08842	5.7
236.12833	18.4
236.17259	10.6
236.20291	1.6
237.09077	2.3
252.10147	3.3
254.11635	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	234.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13160	0.2
55.05497	1.3
57.03427	2.6
70.69540	0.7
72.08172	0.3
79.05473	1.0
81.07039	4.1
86.09687	4.1
94.04044	1.2
95.04986	0.4
98.97575	0.3
99.08081	0.5
103.05409	0.4
105.03365	0.6
111.04411	0.3
115.05481	0.2
118.06541	0.3
119.03513	1.6
120.08065	2.2
136.06157	100.0
137.04562	1.2
137.06537	0.4
142.63602	0.2
146.05984	0.4
155.07022	0.5
160.08401	0.3
173.08109	0.4
173.73833	0.2
179.66182	0.2
188.07896	0.6
190.10857	2.2
199.09641	0.2
206.08165	0.9
214.08592	0.3
216.07388	1.8
217.10635	1.2
234.08701	2.0
234.13448	83.3
235.13751	1.1
235.18051	0.9
238.16661	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.18
Annotation	Lidocaine
Peak:m/z	Relative Intensity
54.88260	0.2
58.06585	3.6
63.10788	0.2
64.23521	0.2
69.35342	1.4
69.35743	0.5
86.09689	100.0
87.10011	0.8
90.28491	0.2
96.21672	0.2
98.20687	0.3
136.06133	0.2
228.39481	0.2
235.17998	20.5
236.18289	0.3
242.35526	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31266	0.2
56.05020	1.6
58.06594	0.3
70.06573	0.3
70.46938	0.8
70.47278	0.3
72.08145	1.3
74.06059	0.7
83.04955	0.4
84.08123	5.0
88.07599	0.6
97.06482	0.3
98.06064	0.6
99.04472	0.2
100.07613	0.5
102.05518	49.7
106.21810	0.2
125.05970	0.6
126.09127	0.8
152.10721	0.3
158.08105	0.3
170.11728	0.3
196.67638	0.3
216.12265	2.5
217.15440	0.6
234.13303	100.0
235.13600	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.1
57.03421	2.8
69.85310	0.2
70.29787	1.0
79.05466	1.1
81.07039	4.9
87.18242	0.2
94.04032	0.9
95.07076	0.2
98.97541	0.3
99.08080	0.5
111.04395	0.3
119.03531	2.2
120.08063	0.3
127.36124	0.2
136.06158	100.0
137.04550	1.4
137.06552	0.3
148.06148	0.3
155.06996	0.3
155.65614	0.3
173.08136	0.4
181.97359	0.3
188.07838	0.3
190.10841	2.4
216.07394	0.4
216.12456	0.3
217.10753	0.4
234.13452	77.1
235.13667	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0416
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22121	6.8
53.41361	6.3
66.01975	6.7
71.17924	15.7
76.56721	6.6
102.05539	37.1
110.46660	7.0
150.62119	6.7
233.04201	17.0
233.06247	100.0
234.13315	58.4
246.66443	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	233.1492
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
50.03949	0.4
56.05025	16.3
57.03426	2.7
58.06586	2.6
66.99237	0.5
69.03427	0.5
69.32079	0.4
70.73138	1.3
73.02905	0.7
74.06065	100.0
75.06416	0.4
78.87009	0.4
84.04488	3.3
86.09689	20.4
87.05569	0.7
97.21491	0.5
98.97574	1.5
101.07118	2.3
116.98607	0.7
126.12778	0.5
128.06200	1.4
129.06956	3.0
131.04935	0.4
132.10176	19.9
142.12260	0.7
143.11775	0.5
144.05702	0.5
157.06427	0.5
159.08023	3.0
169.13348	2.0
172.05157	1.5
187.07477	8.1
187.14372	11.4
200.04628	2.7
212.06169	1.2
215.06990	14.5
215.13879	5.1
221.06703	0.6
233.08044	10.2
233.14902	16.7
234.08272	0.5
247.20967	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.1328
Annotation	Leiokinine A
Peak:m/z	Relative Intensity
54.53211	0.2
55.01859	0.5
55.05495	0.5
58.15073	0.3
64.07671	0.2
66.86617	0.2
67.05476	1.0
69.03410	0.7
69.07032	0.3
79.05463	0.5
79.39439	0.3
81.07030	0.5
82.41286	0.3
84.08125	0.3
91.05462	2.5
93.07023	1.1
95.04932	0.5
95.08575	0.5
99.86997	0.3
100.07633	0.5
103.05435	0.4
105.07013	3.9
107.08566	0.6
108.08073	0.8
109.06530	0.3
115.05413	0.8
116.06229	0.7
117.07010	1.9
119.04904	0.4
119.08541	2.1
121.06469	0.8
121.10109	0.4
123.08009	0.3
128.06198	2.1
129.06979	4.4
130.07732	1.0
131.04961	0.4
131.08537	4.1
132.08063	0.8
133.06467	0.4
133.10100	2.7
134.09593	0.5
135.08067	0.3
136.07524	2.4
141.06903	0.7
143.08571	1.5
144.05647	0.8
144.08212	0.4
144.09305	2.0
145.06471	2.1
145.10072	2.2
146.07227	1.2
146.09587	0.7
147.08023	1.0
147.10463	0.3
147.11630	0.5
149.01140	0.3
149.09601	0.5
154.07646	0.5
154.08719	0.3
156.09273	0.7
157.06450	0.7
157.07625	0.3
157.08838	0.7
158.07239	1.2
158.09541	0.4
159.08028	5.1
159.10435	0.5
159.11656	5.2
160.07536	2.3
160.08809	2.8
161.08322	2.5
161.09578	8.6
161.13260	0.9
162.09105	1.9
162.12700	1.6
163.11148	1.1
169.10123	0.8
171.10402	0.8
172.05165	1.7
172.08830	1.6
172.11160	0.7
173.05928	0.5
173.09567	1.8
173.13397	0.3
174.09096	2.9
174.10394	0.5
174.12698	0.4
175.09869	4.0
176.10661	1.0
176.14302	1.5
178.12277	0.6
186.09128	0.4
186.12709	1.2
187.07520	8.7
187.11122	6.4
188.10573	1.5
189.11287	2.3
189.12769	1.1
190.12225	6.2
199.09695	0.3
200.04674	2.6
202.08615	0.6
202.12276	0.3
203.09398	1.8
204.10110	0.6
204.13789	7.0
205.08618	0.5
214.12315	1.3
215.06993	15.8
215.10597	1.9
217.04471	3.3
217.10938	0.9
229.22971	0.3
232.07076	2.3
232.13278	100.0
233.08040	17.5
233.13515	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	233.0418
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05031	12.1
58.06571	3.8
61.02900	8.2
64.09584	2.4
70.74200	4.0
70.74573	4.9
70.75533	2.6
72.08129	6.5
73.04015	3.2
74.05655	5.3
74.06068	100.0
74.59647	2.2
81.03394	2.2
84.08131	6.0
86.09695	30.6
90.13152	2.2
101.00856	5.3
101.07127	2.6
104.28280	2.2
113.82848	2.3
116.37436	2.2
119.01920	18.2
128.06197	6.6
128.07066	2.9
129.06982	18.1
131.08546	3.0
132.10159	13.2
133.03416	4.5
137.02911	3.3
138.10432	2.2
145.03452	16.1
147.07938	2.7
151.96582	2.2
157.03424	6.3
157.06433	4.6
157.07567	2.8
159.08055	9.4
161.02945	8.7
163.04469	6.5
172.05151	7.2
173.02960	3.5
175.04474	9.1
180.13544	2.2
183.78790	2.1
187.07509	47.1
187.14391	10.5
191.03976	18.4
200.04721	11.1
205.08418	2.5
215.06995	89.8
215.13814	4.7
225.87515	2.5
233.04738	7.8
233.05965	4.1
233.08083	69.7
233.14830	14.0
234.13385	5.4
251.02434	2.5
253.07693	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	231.1699
Annotation	H-Val-Leu-OH
Peak:m/z	Relative Intensity
53.03925	0.3
53.33746	0.2
54.60136	0.2
55.05502	10.9
56.05014	0.3
57.03437	0.3
57.05799	0.7
57.07061	0.3
59.85132	0.2
69.03422	1.5
70.06586	0.4
70.39037	0.3
70.39429	0.4
71.04991	0.6
72.08142	100.0
73.08475	0.5
79.05490	1.1
81.03408	0.6
81.07047	3.0
83.04988	0.2
83.08602	0.4
84.08139	0.4
85.02898	0.7
85.06541	0.4
86.09688	4.5
86.10169	0.3
87.00806	1.8
97.02909	0.4
99.04443	0.5
109.02830	0.2
109.06509	2.0
115.05423	0.4
127.03900	0.2
127.07533	2.4
132.10184	4.0
132.93163	0.2
145.08548	1.0
171.04410	0.6
174.03122	0.4
175.03740	0.2
175.07588	0.2
185.07297	0.3
185.16449	1.3
189.05466	0.3
203.07018	0.4
216.04149	8.8
217.04530	0.3
226.96393	0.2
231.03023	0.3
231.06470	6.0
231.11836	0.3
231.17006	6.0
231.20653	0.4
232.06795	0.3
235.21036	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30768	1.0
53.03931	3.3
53.39658	0.8
55.01863	1.4
55.05502	41.1
57.03420	3.7
57.07061	3.6
59.04979	2.9
67.05492	1.2
68.99781	3.1
69.03417	12.1
70.53705	2.9
71.04980	10.8
71.08616	5.0
72.08142	4.1
79.05476	26.4
81.03403	2.4
81.07041	100.0
83.04967	11.7
83.08603	15.5
84.08159	1.8
85.02887	2.4
85.06530	11.4
87.00814	42.3
93.07027	1.0
95.04971	1.1
97.02866	1.3
99.04435	1.7
99.08084	9.6
101.05941	1.0
105.01819	4.4
109.02863	0.9
109.06499	55.3
117.09127	4.8
127.03905	1.3
127.07533	62.8
130.06544	0.9
145.08582	22.0
158.09637	2.2
173.02339	1.5
174.03104	3.0
183.20256	1.1
187.03908	1.8
188.04674	1.9
201.01845	2.0
203.07047	1.7
216.04138	73.5
217.04520	1.8
231.06512	53.9
231.08659	11.3
231.15677	1.9
232.07024	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.087
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	2.1
56.44115	0.3
56.96562	1.9
58.06580	0.4
60.08142	0.7
63.74931	0.3
69.48028	2.6
70.06580	2.8
71.06922	0.8
72.08148	1.9
82.06573	0.9
84.08130	100.0
85.08452	0.9
88.03960	0.3
91.10153	0.3
98.09662	0.6
98.97556	2.4
100.97172	0.5
101.00919	0.5
110.09669	0.3
112.07611	1.6
112.11257	0.5
114.06673	0.6
115.12315	0.6
116.98581	2.0
118.98177	0.3
119.01897	1.2
120.01971	1.0
121.01636	0.7
125.07896	0.3
130.08594	1.9
134.99637	1.0
138.91243	0.3
142.08632	0.9
142.99280	0.7
143.08946	1.2
158.06522	0.5
158.08096	0.5
159.11252	0.7
164.64841	0.3
170.98741	0.7
171.08557	0.3
175.11908	0.4
184.04726	0.4
184.06544	0.6
184.08168	6.8
184.10658	0.4
184.18089	0.4
186.04283	0.4
194.06596	0.7
202.09169	2.2
207.05295	0.3
212.07645	32.5
212.17601	0.3
213.07790	0.9
213.15990	0.7
230.08698	64.3
230.15782	9.0
230.18501	1.2
231.08900	1.4
248.06197	0.5
248.07889	0.4
248.09901	3.0
253.10312	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1796
Annotation	3,6,9-Trihydroxy-4-megastigmene
Peak:m/z	Relative Intensity
53.03926	1.1
55.01845	1.6
55.05274	0.9
55.05502	11.6
55.46749	0.8
57.03423	1.9
57.07050	3.3
58.99555	1.3
59.04995	1.9
61.15676	0.7
65.03893	0.7
67.05495	15.1
69.03407	3.7
69.06712	1.1
69.07059	9.6
70.06213	0.8
70.06582	16.0
70.38143	1.7
70.38515	1.4
71.04660	0.9
71.04982	9.2
72.08141	7.4
74.31294	0.8
78.04698	1.4
79.05495	5.7
80.05007	1.1
81.03392	1.6
81.07047	12.7
82.06555	1.6
83.04950	3.4
83.08598	9.3
84.08133	4.8
85.02874	2.3
85.06498	3.5
86.06039	1.2
86.09682	6.6
86.99011	1.5
91.05468	6.7
93.07033	12.3
95.04385	0.9
95.04950	16.3
95.08598	25.4
96.05250	1.0
97.02852	1.2
97.06492	4.3
97.10138	1.3
98.06024	1.4
99.00780	1.8
99.04440	10.9
99.08076	86.0
100.07590	1.3
100.08363	1.0
101.05931	2.0
103.05412	1.9
105.07027	9.4
106.04127	1.7
107.04898	2.2
107.08576	14.3
108.04436	2.0
109.02856	1.2
109.06519	4.6
109.10137	42.9
111.08045	4.0
111.11695	0.8
113.06007	1.8
113.09637	1.8
115.05406	1.4
115.07462	1.1
116.07037	3.1
117.06969	1.7
117.09086	3.3
118.06519	1.4
119.04927	0.8
119.08571	9.6
120.08855	0.8
121.06456	4.5
121.10130	5.4
123.04404	6.4
123.08003	2.3
123.11642	2.7
124.05171	2.0
124.07563	0.9
125.05979	0.8
125.09576	2.0
126.05489	5.6
127.03830	1.1
127.07517	0.9
127.11143	1.7
128.06224	1.0
128.08141	0.8
129.06976	2.5
129.10193	0.8
130.08604	1.7
131.08511	2.9
133.06445	1.2
133.10124	10.7
135.08051	1.6
135.10712	1.1
135.11671	16.7
136.03891	1.1
137.02274	0.8
137.04227	1.6
137.05936	1.4
137.09592	14.2
139.11128	1.5
141.03337	1.1
141.06938	3.2
142.07658	1.2
142.68556	0.8
143.08476	3.3
145.06410	2.5
145.10057	2.7
147.04347	2.1
147.08029	2.1
147.11624	2.3
149.05928	2.5
149.13190	2.0
151.03838	1.9
151.07420	1.0
151.11107	3.1
151.14717	1.0
152.04642	1.8
153.06929	1.6
153.09100	0.9
153.12698	6.2
155.07115	0.9
155.08650	4.3
155.10641	20.1
156.08020	1.0
157.09996	1.2
158.02586	1.2
159.07965	3.7
159.11615	2.1
165.16301	1.3
167.07010	100.0
168.07309	3.1
168.09357	3.8
169.06367	1.2
169.10008	2.3
171.08012	1.4
171.13736	2.3
172.08762	3.6
173.05916	3.0
173.09509	2.1
173.13176	2.7
175.14806	10.8
181.06485	1.2
181.08444	1.8
182.08275	1.2
183.11691	7.5
184.04185	2.0
185.13298	0.9
186.03102	4.9
186.05647	1.2
187.07446	1.3
187.11079	3.9
193.08514	3.1
193.10123	1.8
193.12112	2.4
193.15846	12.8
196.08755	3.6
201.05417	3.1
201.09050	1.2
201.12680	8.4
211.09335	1.0
211.11235	8.4
211.13034	1.5
211.16884	40.5
212.03712	6.9
212.09099	1.0
214.09752	1.2
229.04636	7.3
229.08658	4.4
229.09784	3.3
229.12140	29.1
229.15501	5.2
229.17924	5.2
229.23442	2.3
230.04814	9.9
230.89249	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31846	0.2
53.45100	0.2
55.01852	0.4
56.05019	0.2
58.06337	0.3
58.06590	4.0
59.07362	0.8
60.08149	5.7
63.24350	0.2
68.05002	0.5
68.07855	0.2
69.56620	0.5
69.57020	1.1
70.06578	25.4
72.08146	1.1
74.61720	0.2
80.51340	0.2
81.07063	0.3
82.06552	0.6
84.08121	2.5
86.02396	0.3
95.06889	0.2
96.08121	1.3
98.06038	0.4
98.20809	0.3
100.07603	0.6
100.72892	0.2
101.35439	0.3
109.92782	0.3
112.07598	0.3
114.01895	0.3
114.05504	2.5
114.06621	0.9
114.09149	1.2
116.07082	0.8
119.01890	0.8
124.07578	3.1
126.09125	0.5
132.93976	0.3
142.08606	23.7
152.95358	0.7
158.08112	0.3
170.08073	3.0
180.57687	0.2
183.14821	0.4
201.15973	0.4
212.07671	0.6
229.03201	0.6
229.06731	1.1
229.15421	100.0
230.06163	0.5
230.08598	0.8
230.15765	1.2
247.08369	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1544
Annotation	Pro Ile
Peak:m/z	Relative Intensity
56.96560	0.3
57.03431	0.2
58.06588	4.5
59.07364	1.0
60.08151	5.9
68.05016	0.8
70.06577	29.6
70.53870	0.4
70.54264	0.3
72.07791	0.2
72.08163	0.6
74.26361	0.2
82.06546	0.3
84.04484	0.3
84.08125	0.9
96.08098	1.1
98.06037	0.4
98.97569	0.6
101.00867	0.6
102.37868	0.2
114.05503	3.1
114.06664	0.4
114.09126	1.4
116.07034	0.9
116.98591	0.4
119.01900	1.0
124.07568	2.8
126.09119	0.6
137.02908	0.3
142.08600	27.6
143.09023	0.2
158.08101	0.5
170.08109	1.7
187.00851	0.4
215.00301	0.2
229.15419	100.0
230.06403	0.3
230.08810	0.2
230.15724	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	229.1429
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
55.01849	9.5
55.05499	12.7
57.03409	4.6
57.07037	3.1
58.52719	2.0
67.05489	24.9
69.07054	13.4
70.06548	2.9
71.04973	6.9
71.22101	2.3
71.22457	2.9
79.05466	15.1
81.07039	82.4
82.78613	2.0
83.04958	5.0
83.08590	7.3
85.06516	5.3
91.05457	20.9
93.07033	11.2
93.20197	2.0
95.04926	4.2
95.08589	14.9
97.06496	7.2
98.21239	3.5
99.08066	2.8
105.07011	28.8
107.08566	11.8
109.06503	2.8
109.10158	3.6
112.10166	2.0
119.08559	26.2
120.75989	2.1
121.10126	24.0
123.08098	3.0
123.11681	34.0
127.07542	5.2
129.06950	3.7
131.08514	2.8
133.10066	5.4
137.09561	3.1
137.13223	3.7
143.08492	2.3
147.11656	100.0
148.11978	2.9
149.09723	2.4
157.10107	7.2
159.11606	2.3
165.12718	48.9
175.11130	8.3
183.13812	4.1
193.12181	7.1
229.14226	27.8
229.23488	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	229.1429
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
53.49156	2.9
55.01867	18.3
55.05492	10.7
57.03424	2.9
60.87243	2.7
67.05499	33.9
69.03413	4.5
69.07070	18.6
69.46028	2.6
69.46310	24.8
71.04955	6.0
75.31915	2.7
79.05454	13.8
81.06571	4.9
81.07042	98.3
83.04948	9.9
83.08604	10.4
85.06537	5.2
86.06028	3.7
91.05453	20.5
93.07012	14.3
94.73112	2.8
95.04973	4.5
95.08590	26.9
97.02830	3.3
97.06512	6.5
98.06017	2.6
98.21562	4.7
99.00793	4.6
105.07019	34.2
107.08572	11.7
109.06488	7.9
109.10126	11.0
115.05381	3.0
116.62913	2.7
119.08554	30.8
121.10120	32.4
123.11685	45.7
127.07533	8.4
129.06990	3.2
131.08495	3.2
131.78239	2.7
133.10027	2.9
137.09541	3.1
137.13235	7.2
141.09100	2.6
143.08569	3.9
145.10097	6.6
147.11658	100.0
157.10052	4.0
159.11707	3.4
165.12733	63.7
173.11771	3.0
173.13159	2.9
183.11604	7.2
183.13797	5.0
187.11026	3.5
201.12640	3.4
203.31873	2.9
229.04933	4.2
229.12172	10.4
229.14273	12.4
229.19482	6.1
229.23499	12.2
230.13933	4.1
244.52896	3.1
247.13196	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	228.0626
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36644	0.3
60.11367	0.3
60.49276	0.3
60.51870	0.3
71.17241	0.6
76.43893	0.3
82.06544	1.3
83.19427	0.3
98.31742	0.3
214.83253	0.3
215.83766	0.3
228.06274	100.0
229.06631	0.5
246.08167	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.8
55.05503	32.7
57.03421	1.7
57.07067	5.4
58.06556	1.0
65.03905	1.0
67.05495	54.5
69.06674	0.9
69.07054	18.7
69.45607	6.0
70.06567	1.1
71.04980	8.5
71.08610	2.3
72.04493	1.5
72.05309	1.6
72.08160	1.3
79.05474	7.0
81.07044	56.3
82.07339	1.0
83.04949	2.4
83.08609	34.4
84.08134	4.5
85.06529	5.5
91.05457	5.9
93.07030	11.7
95.04954	0.9
95.08592	100.0
97.06518	7.5
97.10161	20.9
98.09667	1.2
99.08068	1.9
100.07600	4.4
101.06001	1.0
105.04520	0.8
105.07016	5.9
107.08595	4.6
109.10136	54.6
111.08073	7.5
111.11686	3.7
112.11254	1.1
113.09624	1.1
115.07555	2.0
119.08567	10.8
121.10118	4.9
123.08043	3.4
123.08849	0.9
123.11706	5.9
125.09558	2.0
127.07538	1.2
127.11156	1.2
129.09102	2.8
133.10114	12.0
135.11647	3.8
137.09584	4.8
141.09126	1.9
147.11652	7.1
149.13231	4.3
151.11151	2.9
151.14789	9.6
155.10675	2.1
165.16331	1.4
169.10014	1.0
175.14801	42.1
183.11464	1.0
193.15857	24.3
198.19185	0.9
209.12619	0.9
210.11148	1.1
210.18466	2.6
211.16922	9.8
228.12257	3.1
228.19604	15.7
228.23151	13.5
229.12338	1.2
229.15970	1.0
229.17960	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	229.143
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
53.03934	1.6
55.01855	6.4
55.05492	8.1
57.03402	3.8
57.07046	3.9
60.67398	1.4
62.23558	1.1
67.05489	21.1
69.03394	4.3
69.07056	11.0
70.06558	3.6
70.16266	2.8
70.16680	3.6
71.04958	2.8
76.84629	1.4
79.05481	11.4
81.03393	1.3
81.07039	46.0
83.04949	4.8
83.08586	4.7
84.08108	3.2
85.02859	2.0
85.06503	4.8
90.71194	1.0
91.05459	24.1
93.07035	11.4
95.04935	6.9
95.08591	10.2
97.02844	2.9
97.06513	10.9
98.06009	2.5
98.09641	1.7
99.00756	3.7
99.08059	3.1
100.07597	2.3
105.07008	29.0
107.04911	1.9
107.08579	8.7
109.06494	7.9
109.10133	9.6
109.16890	1.1
109.98135	1.2
113.05904	1.3
117.06977	2.6
119.08558	23.9
121.09341	1.3
121.10117	16.3
123.07966	2.2
123.11668	20.7
127.07569	1.6
129.06978	6.9
131.08514	6.9
133.10081	8.2
137.09576	2.0
137.13252	1.3
141.06978	1.9
142.07718	2.9
143.08469	3.7
145.10020	3.9
147.07982	2.2
147.11655	76.2
148.11931	1.4
149.09537	3.7
155.08466	2.8
157.10085	20.0
159.08012	2.2
159.11633	1.8
165.12708	33.8
167.08437	1.4
168.09225	1.5
171.11580	1.9
173.09503	1.9
173.11728	2.1
173.13187	3.3
175.11171	17.4
183.11610	7.1
183.13712	1.5
185.13142	1.7
187.11043	1.6
193.12196	5.3
201.12680	1.5
211.13016	1.8
211.14787	2.0
212.09125	1.8
229.04987	2.6
229.08473	3.4
229.12282	8.5
229.14232	100.0
229.19208	5.9
229.23436	4.0
230.10115	1.9
230.14378	1.9
230.19029	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	228.0538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.5
56.05021	2.0
56.96555	8.6
61.02910	0.4
69.49357	1.4
69.49787	1.4
70.06572	1.5
71.95252	1.3
72.08138	0.9
73.02909	0.4
80.04996	0.4
81.03421	0.4
82.06581	3.7
84.08128	100.0
84.12520	0.4
84.54832	0.4
84.96012	1.2
85.08466	0.7
88.02214	0.6
95.06079	0.5
98.97566	56.6
100.02468	0.8
101.00853	0.8
116.98601	39.6
119.01900	2.5
130.08609	0.7
133.03380	0.5
134.99637	15.5
135.00655	0.9
135.43941	0.4
137.02898	0.4
140.00139	1.1
142.08641	0.4
144.99852	0.7
150.02243	0.8
153.00647	1.5
156.03264	0.5
166.88232	0.3
168.03319	3.9
172.99287	0.8
174.02457	0.6
174.04478	0.5
182.04822	1.0
182.09154	0.8
184.08109	0.5
186.02692	0.5
186.04381	8.8
196.00867	1.4
200.05911	10.3
200.07697	0.8
202.03777	1.5
204.03856	0.4
204.05409	4.0
209.05891	0.4
210.04297	1.2
210.06056	0.8
214.01875	0.9
218.06993	4.1
220.04799	1.9
222.06453	3.7
228.05353	29.7
228.07025	1.6
228.17009	0.5
229.15399	1.4
244.15790	0.4
246.06429	59.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1638
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03944	2.2
55.01845	3.8
55.05509	9.4
56.05006	2.1
56.96534	1.2
57.03429	7.0
57.07054	5.1
59.04977	4.9
62.89852	1.3
65.03925	1.6
67.05495	9.5
69.03416	6.6
69.06730	1.6
69.07057	19.4
70.06567	3.6
70.11306	2.3
70.11716	3.7
71.04986	21.9
72.08123	2.2
72.93748	1.4
73.02888	3.5
73.06535	1.5
75.04453	2.0
78.04681	2.3
79.05479	9.7
81.03375	2.0
81.07056	12.7
83.04963	7.5
83.08601	8.6
84.04437	1.9
84.08139	6.2
85.02879	2.5
85.06522	13.7
86.09690	16.1
91.05470	12.7
93.07021	25.2
95.04951	100.0
95.08585	13.5
97.02901	2.2
97.06517	21.7
97.10153	5.9
99.04444	13.9
99.08081	25.2
100.07570	1.7
100.11231	3.4
103.05431	3.9
105.07018	11.1
107.04915	5.7
107.08572	20.3
109.06496	20.0
109.10145	14.1
111.04427	3.1
111.05495	2.0
111.08055	7.0
113.05953	3.4
113.09609	2.2
113.96413	2.4
115.07533	7.8
116.07034	1.4
117.07008	1.4
119.04903	2.0
119.08565	9.3
121.02852	1.9
121.06490	9.2
121.09322	2.2
121.10120	30.3
123.04398	5.7
123.08021	3.2
123.11689	8.6
125.05949	1.3
125.09590	9.6
125.13234	1.4
127.07559	12.7
131.04843	2.9
131.08527	7.7
131.97371	2.2
132.08029	1.6
133.10110	25.5
135.04402	2.5
135.08037	7.9
135.11646	11.1
137.05919	5.0
137.09569	4.8
139.07487	1.5
139.11151	9.1
140.04663	2.1
143.10634	6.7
145.10068	4.0
147.11652	7.0
149.05959	10.2
149.09595	5.7
149.13234	9.5
151.11153	6.7
152.04556	1.6
153.05447	1.5
153.09082	35.9
153.12686	1.9
155.06978	3.5
158.10863	1.6
159.04419	2.6
163.07533	1.6
163.14783	6.0
165.12740	2.7
167.07013	64.1
168.07365	1.7
169.12196	1.5
171.10156	14.0
173.13242	19.1
177.05476	18.9
181.04893	2.9
181.08572	1.5
182.08141	1.4
184.05147	1.4
191.10674	3.8
191.14291	17.4
194.05606	1.2
197.08058	1.4
209.08223	10.0
209.11624	2.4
209.15331	27.9
212.04688	1.6
227.06976	3.0
227.08942	2.4
227.16347	73.6
228.12300	1.9
228.23221	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	227.1637
Annotation	MKN-003C
Peak:m/z	Relative Intensity
50.73774	1.9
53.03947	1.8
55.01859	4.7
55.05511	11.7
57.03416	5.3
57.07053	4.7
58.06583	2.5
59.04980	4.7
67.05473	8.0
69.03397	5.4
69.07051	21.0
70.59177	6.3
71.04977	24.5
72.04497	3.6
73.06513	2.2
79.05488	11.3
81.07040	20.9
82.81418	2.0
83.04950	9.1
83.08596	10.9
84.08118	5.1
85.02867	2.1
85.06518	12.8
86.09636	3.3
91.05475	9.8
93.07024	25.0
95.04951	100.0
95.08588	18.6
97.06503	20.0
97.10130	7.0
99.04436	11.9
99.07485	3.5
99.08076	39.3
100.06982	4.3
100.07596	58.1
100.11225	8.4
103.05463	2.4
105.07023	9.6
107.04929	4.7
107.08564	27.0
109.06503	20.0
109.10126	11.7
111.08038	6.8
115.07518	9.3
119.08537	7.8
121.06485	12.1
121.10122	37.9
123.08068	4.6
123.11710	12.6
125.09636	13.8
125.13148	2.8
127.07530	18.1
131.08504	4.8
133.10112	32.8
135.04416	2.5
135.07990	7.0
135.11646	8.9
137.05905	4.3
137.09584	4.5
139.11169	14.2
140.04619	3.0
143.10623	10.0
147.11649	8.2
148.05170	7.3
149.05965	12.3
149.09663	2.6
149.13225	10.4
151.03900	2.5
151.11113	6.9
153.09076	29.7
155.07028	2.4
158.10831	3.2
163.14775	7.5
165.12823	2.6
167.06998	46.3
171.10115	21.0
173.13248	17.3
177.05435	14.4
179.14262	2.1
191.14243	18.9
194.05673	7.7
195.06458	8.5
209.08055	31.0
209.11493	2.1
209.15268	28.9
227.09039	7.3
227.16345	82.8
227.21036	16.7
237.55827	2.4
242.30119	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	227.1636
Annotation	Tanarifuranonol
Peak:m/z	Relative Intensity
55.01858	1.0
55.05496	4.1
57.03419	5.2
57.07053	2.6
58.06582	0.8
59.04967	1.6
65.03922	1.0
67.05502	3.9
69.03388	1.7
69.07060	5.9
69.07388	1.0
69.80523	4.3
70.06585	0.8
71.04979	13.0
72.08127	1.3
73.02904	0.6
75.04472	4.0
78.04685	1.2
79.05491	4.6
81.05737	0.6
81.07039	9.0
83.04951	2.1
83.08593	3.0
84.08126	4.5
85.06530	4.3
85.08505	0.7
86.09671	1.4
91.05462	6.8
93.07020	9.6
93.88818	0.6
94.07377	0.6
95.04947	100.0
95.08585	7.7
96.05276	0.7
97.06505	16.9
97.10137	1.6
98.09666	2.2
98.20770	1.3
99.04433	31.0
99.08069	9.0
100.07595	7.3
100.11237	3.4
103.05421	3.6
105.06994	4.6
105.71313	0.6
107.04935	1.5
107.08566	10.3
109.06492	12.9
109.10132	6.7
111.08072	2.1
112.11235	1.4
113.09626	1.6
113.96405	0.7
115.07554	4.0
117.06964	1.4
119.04913	1.0
119.08568	4.3
121.06481	6.1
121.10109	10.0
123.04377	3.2
123.08055	3.7
123.11702	4.3
124.05186	1.6
125.05981	1.5
125.09605	3.0
127.07513	4.4
131.04893	3.5
131.08583	3.2
133.10107	16.7
134.03574	0.9
135.08043	2.4
135.11687	2.6
137.05952	4.5
139.11145	5.7
140.04688	1.7
143.08569	1.0
143.10614	0.9
145.10104	2.0
147.11687	4.3
149.05927	6.8
149.09618	1.1
149.13219	4.4
151.11118	3.2
152.04681	1.0
153.09068	34.3
153.12677	1.0
155.06981	0.9
158.10815	1.0
159.04459	1.6
163.03961	0.7
163.11176	0.8
163.14807	3.2
165.12723	1.8
167.07002	55.6
168.07362	1.9
169.12276	1.5
171.07925	0.7
171.10138	5.8
173.13229	8.8
177.05435	15.0
181.04890	1.5
181.08583	0.9
183.13776	1.7
191.07085	0.7
191.14262	10.2
197.18080	0.8
209.08028	6.7
209.15323	23.6
209.69348	0.8
227.09024	2.0
227.16313	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1637
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03934	3.6
55.01868	9.2
55.05258	2.6
55.05503	29.5
56.05017	2.1
57.03419	5.2
57.07062	5.4
58.06598	10.3
59.04979	2.0
61.02900	1.9
65.03928	4.0
67.05495	14.6
68.99777	3.8
69.03416	6.5
69.07055	22.3
69.27186	11.6
69.27602	4.1
70.06569	2.9
70.07395	1.5
71.04985	11.5
71.08614	1.8
72.04520	11.8
72.08138	4.3
73.02906	4.7
73.06578	1.7
78.04692	2.7
79.05472	13.7
81.03391	2.4
81.07038	26.5
82.06558	2.4
83.01331	10.1
83.04970	14.0
83.08604	13.3
84.04494	4.5
84.08129	42.9
85.06531	10.4
85.08457	2.3
86.09683	7.3
91.05466	17.7
93.07034	26.4
94.07285	1.8
95.04961	33.8
95.08593	20.8
96.08868	1.7
97.06517	19.4
97.10149	4.8
98.09672	14.5
99.04441	21.2
99.08076	43.4
100.07602	98.7
100.11243	23.3
101.06004	10.1
101.07941	2.9
103.05466	9.0
105.06996	21.9
107.04957	8.3
107.08577	39.6
109.06509	15.7
109.10135	19.2
110.09691	1.7
111.04430	2.3
111.08050	12.8
112.11220	12.1
113.05953	1.9
113.96423	2.2
115.07537	10.4
117.07014	2.2
119.08576	8.8
119.59969	1.8
121.06481	21.1
121.10119	48.5
123.04414	9.5
123.08032	7.1
123.11690	10.1
124.05209	2.8
125.05982	3.6
125.09612	16.8
126.18439	2.0
127.07529	2.6
129.06995	3.0
129.13824	4.9
130.06488	4.4
131.04913	6.3
131.08556	9.6
131.97441	2.7
132.08064	14.5
133.10114	43.3
134.96239	1.7
135.04385	2.9
135.08020	12.0
135.11678	12.5
136.08833	1.7
137.05968	5.7
137.09607	10.1
137.13193	2.0
139.07532	10.8
139.11118	10.2
140.04601	7.8
142.06532	2.2
142.15991	2.2
143.08478	1.9
145.10153	5.1
147.11673	4.8
148.05157	10.6
149.05962	18.8
149.09592	35.8
149.13228	16.9
151.11171	16.2
153.05396	2.0
153.09073	17.9
154.12234	5.5
155.07021	5.6
155.11737	1.7
156.08054	2.3
156.13809	2.4
157.07558	3.6
158.08304	2.0
158.10867	2.5
159.04341	3.0
159.09135	20.0
160.07516	3.5
162.03040	1.9
163.03836	1.9
163.11206	2.8
163.14809	19.7
165.05444	2.0
165.12709	2.2
166.07693	2.5
166.15804	2.2
167.07024	100.0
167.08470	6.2
167.10730	4.0
168.07315	3.1
168.17488	1.9
169.13396	3.5
170.05994	4.7
171.11613	2.0
171.14914	12.8
173.13226	23.8
176.04689	3.3
177.05440	32.2
181.05017	11.5
181.07570	5.3
181.10036	1.7
181.12169	2.0
181.15869	5.0
181.66118	2.8
183.06566	2.1
184.07597	4.5
185.07047	11.8
188.66951	1.5
190.17580	2.2
191.06993	2.5
191.10689	2.4
191.14273	39.6
194.05733	10.3
194.07288	2.3
195.06497	14.4
195.08002	3.8
196.34572	1.7
197.06068	2.0
199.08711	2.0
200.07094	5.8
204.38446	1.6
209.08112	43.5
209.15309	88.3
209.69287	3.7
212.08224	2.4
218.20596	4.5
227.08322	15.5
227.10988	9.0
227.12773	3.4
227.16338	9.6
227.17715	6.5
227.21136	19.7
228.10291	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.4
55.01849	1.7
55.05499	9.3
57.03430	5.8
57.07050	1.8
57.26723	0.7
59.04980	2.0
63.32610	0.7
65.03934	1.2
67.05493	4.8
69.03395	2.2
69.07057	7.2
70.06578	3.3
70.54086	2.8
71.04978	10.7
72.08134	1.8
72.17435	0.7
73.02879	0.9
75.04458	3.5
77.03918	0.9
78.04695	2.1
79.05479	8.0
81.03410	1.1
81.07039	8.9
82.06569	1.0
83.04946	2.9
83.08603	6.7
84.08129	2.8
85.06531	5.0
86.09688	16.8
89.03892	1.0
91.05456	10.1
93.07021	12.7
95.04946	100.0
95.08587	5.7
96.05218	0.7
97.06512	17.8
97.10139	2.5
98.09625	0.8
98.98450	9.6
99.04435	16.6
99.08064	11.5
100.07601	2.0
100.11234	42.0
103.05451	5.9
105.03368	1.1
105.06996	5.6
106.04122	0.8
107.04921	3.2
107.08566	11.5
109.06492	13.2
109.10131	7.9
110.07081	0.8
111.04408	1.2
111.08040	3.6
113.06030	0.9
113.09638	0.9
115.07543	4.7
115.82275	0.7
117.06993	1.3
119.04901	1.7
119.08524	5.6
121.06474	11.9
121.10115	11.6
122.03603	0.8
122.06982	0.9
123.04413	5.2
123.08073	2.5
123.11681	3.1
124.05173	2.0
125.05950	1.3
125.09641	4.2
127.07524	6.5
131.04910	5.2
131.08504	4.1
131.97432	1.1
133.10101	16.1
134.03654	2.0
135.04367	1.8
135.08034	8.8
135.11642	4.9
136.03920	3.2
136.04987	0.7
137.05981	7.0
137.09549	1.3
139.03964	0.9
139.07556	0.7
139.11145	6.4
140.04675	2.8
143.08553	1.0
143.10667	1.8
145.02794	1.2
145.10086	2.0
146.05937	0.8
147.11653	3.3
148.05101	1.6
149.05943	12.8
149.09587	2.7
149.13216	4.4
151.03914	1.7
151.11142	2.4
152.04657	1.9
153.03065	0.9
153.05481	1.6
153.09077	33.3
153.12712	1.6
155.04611	0.8
155.07022	2.6
156.07547	0.9
159.04402	3.2
163.07547	0.9
163.11116	0.8
163.14841	2.8
165.05414	1.0
167.07007	88.7
167.14227	1.3
168.07401	2.4
171.06471	0.8
171.10132	6.6
173.08038	0.7
173.13237	7.9
177.04034	1.6
177.05457	25.0
178.05945	1.1
179.07019	1.0
181.04904	4.0
181.08531	2.0
181.12167	0.9
191.07068	1.8
191.10590	2.0
191.14272	8.7
194.05742	1.8
195.06512	3.2
195.65244	0.7
199.17984	0.7
200.25294	0.6
209.08122	12.1
209.12021	1.2
209.15082	17.8
212.04616	2.0
227.07008	3.4
227.09146	3.7
227.12749	1.2
227.16411	20.2
228.12271	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1273
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03933	3.3
55.01863	5.7
55.05268	1.3
55.05502	16.5
57.03425	7.0
57.07066	9.1
58.06578	2.7
59.04971	3.3
61.02911	1.4
65.03918	3.4
67.05492	22.2
69.03413	5.6
69.07056	22.9
70.06562	5.0
71.04980	22.6
71.52924	1.5
72.08126	2.1
73.02900	11.8
75.04449	3.6
78.04698	2.8
79.05474	21.1
81.03398	3.1
81.07038	27.9
82.00545	1.5
82.04164	1.3
83.04968	11.3
83.08605	10.6
84.08125	8.5
85.02884	3.3
85.06527	62.3
86.09694	14.4
86.10184	1.9
87.04446	7.7
91.05458	21.1
93.07024	38.5
95.04946	100.0
95.08585	19.0
97.02862	1.7
97.06507	22.5
97.10136	4.0
98.09654	3.4
98.98464	1.8
99.04435	24.5
99.08079	15.4
100.07589	8.8
100.11236	33.0
103.05457	8.2
104.55759	1.2
105.07005	21.6
106.04199	1.4
107.04929	9.5
107.08572	35.9
109.02839	1.4
109.06499	19.1
109.10125	14.8
110.07149	2.4
111.04422	10.1
111.08050	6.0
111.11671	2.2
112.11214	3.4
113.05952	1.8
113.09614	1.4
115.07536	12.0
117.03340	1.4
117.06988	5.2
119.04916	3.1
119.08562	17.9
120.05650	1.5
121.06484	20.3
121.10121	50.6
122.02402	1.6
122.03603	1.9
123.04437	10.5
123.08047	6.1
123.10822	2.0
123.11686	33.7
124.05188	1.4
125.05978	7.3
125.07194	1.2
125.09593	8.7
127.07541	6.9
127.11121	1.5
129.06943	3.9
129.13861	1.6
131.04913	5.8
131.08537	37.7
131.97414	2.4
133.10101	29.0
135.04395	3.9
135.08028	7.7
135.11664	7.5
137.05949	7.9
137.09564	6.2
137.13243	1.3
139.02089	1.5
139.03886	2.7
139.07509	1.6
139.11153	9.8
140.04663	18.2
141.05408	1.6
142.02568	1.4
143.01834	1.3
143.06979	2.1
143.08533	2.0
143.10670	1.6
145.10092	17.4
147.04330	1.7
147.08041	4.0
147.11649	9.8
148.05133	3.1
149.05980	14.6
149.09586	51.0
149.13239	8.8
151.03830	2.4
151.07533	2.4
151.11165	17.6
152.04721	1.5
153.05432	3.3
153.09081	36.5
155.06998	19.6
157.50494	1.4
159.04385	2.3
161.02893	1.7
163.03798	1.5
163.07523	2.9
163.11153	15.2
163.14796	6.3
165.09065	5.0
165.12733	5.6
167.07004	92.1
167.10637	48.9
167.14330	3.5
168.07401	1.2
169.12210	3.8
171.06531	2.0
171.10110	9.5
173.08109	2.0
173.09549	4.0
173.13225	12.8
177.05431	28.2
179.07013	4.2
179.10556	1.9
181.03293	1.1
181.04916	30.0
181.06494	1.8
181.08624	1.3
181.12125	2.0
183.06403	1.2
191.06963	1.9
191.08884	2.0
191.10645	31.3
191.14276	15.9
194.05687	3.8
195.04691	3.0
195.06471	6.3
199.14517	1.2
209.08109	25.9
209.11685	36.2
209.15179	34.4
218.08792	1.1
218.20688	1.9
227.06976	2.0
227.09056	13.3
227.12581	17.2
227.16040	24.6
228.12228	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	227.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.3
55.01863	5.7
55.05268	1.3
55.05502	16.5
57.03425	7.0
57.07066	9.1
58.06578	2.7
59.04971	3.3
61.02911	1.4
65.03918	3.4
67.05492	22.2
69.03413	5.6
69.07056	22.9
70.06562	5.0
71.04980	22.6
71.52924	1.5
72.08126	2.1
73.02900	11.8
75.04449	3.6
78.04698	2.8
79.05474	21.1
81.03398	3.1
81.07038	27.9
82.00545	1.5
82.04164	1.3
83.04968	11.3
83.08605	10.6
84.08125	8.5
85.02884	3.3
85.06527	62.3
86.09694	14.4
86.10184	1.9
87.04446	7.7
91.05458	21.1
93.07024	38.5
95.04946	100.0
95.08585	19.0
97.02862	1.7
97.06507	22.5
97.10136	4.0
98.09654	3.4
98.98464	1.8
99.04435	24.5
99.08079	15.4
100.07589	8.8
100.11236	33.0
103.05457	8.2
104.55759	1.2
105.07005	21.6
106.04199	1.4
107.04929	9.5
107.08572	35.9
109.02839	1.4
109.06499	19.1
109.10125	14.8
110.07149	2.4
111.04422	10.1
111.08050	6.0
111.11671	2.2
112.11214	3.4
113.05952	1.8
113.09614	1.4
115.07536	12.0
117.03340	1.4
117.06988	5.2
119.04916	3.1
119.08562	17.9
120.05650	1.5
121.06484	20.3
121.10121	50.6
122.02402	1.6
122.03603	1.9
123.04437	10.5
123.08047	6.1
123.10822	2.0
123.11686	33.7
124.05188	1.4
125.05978	7.3
125.07194	1.2
125.09593	8.7
127.07541	6.9
127.11121	1.5
129.06943	3.9
129.13861	1.6
131.04913	5.8
131.08537	37.7
131.97414	2.4
133.10101	29.0
135.04395	3.9
135.08028	7.7
135.11664	7.5
137.05949	7.9
137.09564	6.2
137.13243	1.3
139.02089	1.5
139.03886	2.7
139.07509	1.6
139.11153	9.8
140.04663	18.2
141.05408	1.6
142.02568	1.4
143.01834	1.3
143.06979	2.1
143.08533	2.0
143.10670	1.6
145.10092	17.4
147.04330	1.7
147.08041	4.0
147.11649	9.8
148.05133	3.1
149.05980	14.6
149.09586	51.0
149.13239	8.8
151.03830	2.4
151.07533	2.4
151.11165	17.6
152.04721	1.5
153.05432	3.3
153.09081	36.5
155.06998	19.6
157.50494	1.4
159.04385	2.3
161.02893	1.7
163.03798	1.5
163.07523	2.9
163.11153	15.2
163.14796	6.3
165.09065	5.0
165.12733	5.6
167.07004	92.1
167.10637	48.9
167.14330	3.5
168.07401	1.2
169.12210	3.8
171.06531	2.0
171.10110	9.5
173.08109	2.0
173.09549	4.0
173.13225	12.8
177.05431	28.2
179.07013	4.2
179.10556	1.9
181.03293	1.1
181.04916	30.0
181.06494	1.8
181.08624	1.3
181.12125	2.0
183.06403	1.2
191.06963	1.9
191.08884	2.0
191.10645	31.3
191.14276	15.9
194.05687	3.8
195.04691	3.0
195.06471	6.3
199.14517	1.2
209.08109	25.9
209.11685	36.2
209.15179	34.4
218.08792	1.1
218.20688	1.9
227.06976	2.0
227.09056	13.3
227.12581	17.2
227.16040	24.6
228.12228	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	227.1273
Annotation	12-hydroxyjasmonic acid
Peak:m/z	Relative Intensity
50.44058	0.7
50.74429	0.7
53.03920	2.6
55.01858	5.0
55.05495	12.0
57.03415	3.0
57.07067	1.9
58.06560	1.0
59.98103	0.9
65.03931	1.0
67.05492	15.6
69.03390	1.8
69.07053	10.8
70.06540	1.3
70.44364	2.7
71.04975	4.0
72.04492	1.0
73.02905	1.9
78.04704	1.3
79.05478	22.7
81.03391	3.2
81.06587	1.3
81.07041	20.2
83.04958	4.2
83.08603	11.5
84.08121	7.3
85.06519	1.9
90.97773	0.8
91.05465	10.1
93.07026	34.7
95.04951	10.4
95.08588	37.8
97.02842	2.9
97.06522	5.3
97.10159	2.1
98.06065	0.8
98.09674	1.9
99.04433	4.6
99.08003	1.0
99.20100	0.7
100.07595	12.7
100.11240	8.4
103.05429	4.2
105.07012	6.7
106.04167	0.9
107.04932	13.0
107.08572	24.9
109.06483	3.3
109.10103	3.7
111.04429	1.8
111.08020	0.9
112.11193	2.7
117.06992	6.7
119.04924	0.9
119.08569	10.3
120.05676	0.8
121.06494	10.7
121.10131	13.4
122.03635	1.2
123.04415	3.9
123.08041	1.2
123.11653	1.0
124.05189	2.0
125.05980	3.5
125.09564	0.9
129.13878	0.8
130.07755	1.6
131.04897	3.1
131.08525	1.5
131.97427	1.4
133.10056	3.1
134.03520	1.1
135.07999	2.8
135.11665	47.4
137.05934	5.2
139.07503	1.5
140.04662	3.5
143.08514	2.7
145.06406	0.9
145.10095	26.4
148.05130	1.5
149.05969	8.7
149.09540	1.3
149.13216	1.3
151.03943	1.0
152.04585	1.1
153.12714	0.9
155.06964	2.1
155.08344	0.9
157.10086	2.2
159.04350	2.0
163.11147	59.7
166.07744	0.6
167.07007	61.9
171.11647	1.8
173.09518	1.3
173.13132	1.0
175.36975	0.8
177.05455	18.2
181.04904	0.9
181.10556	0.9
181.12198	18.1
185.09557	1.0
185.13220	1.4
190.17538	0.7
191.07063	1.1
191.10579	0.9
197.18423	0.8
199.11090	0.8
209.08040	6.5
209.11589	1.6
209.69344	1.4
210.18507	1.5
210.21126	0.7
214.87056	0.8
218.20631	0.7
227.12711	100.0
227.17621	6.3
227.21198	1.9
228.12915	0.9
249.81102	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0909
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03932	0.8
55.01857	0.8
55.05505	4.3
57.03411	1.3
57.07031	0.7
58.06601	0.7
59.04980	1.0
65.03934	0.7
67.05473	2.2
68.02638	0.5
69.03403	0.8
69.07053	4.1
70.06564	1.4
71.04973	3.1
71.51513	0.6
71.51917	1.0
72.08125	1.0
78.04695	1.9
79.05486	3.4
79.14053	0.6
81.07040	4.1
83.04948	1.5
83.08579	2.0
84.08123	4.3
84.67136	0.5
85.06535	1.4
86.09214	1.0
86.09693	10.7
89.03897	1.6
91.05469	6.7
93.07020	7.1
93.95383	0.5
95.04953	15.1
95.08586	3.0
97.06512	3.9
97.10157	1.2
98.09666	2.0
99.04424	2.5
99.08067	3.3
100.07610	4.5
100.11243	11.2
103.05449	5.7
105.07018	3.7
106.04151	2.0
107.04926	4.7
107.08588	4.2
109.06519	3.9
109.10134	1.6
111.08011	1.3
112.11233	0.9
114.05515	0.7
115.07557	1.1
117.03362	1.4
117.07003	0.7
119.04929	1.8
119.08511	0.8
120.05719	0.6
121.06483	10.2
121.10109	5.4
122.03623	0.8
123.04403	7.1
123.08102	0.7
123.11691	1.1
124.05165	2.2
125.09588	2.5
127.07538	2.7
128.67343	0.6
131.04918	4.1
131.08511	1.2
131.97403	0.7
133.02806	1.5
133.10106	3.3
134.03635	1.5
135.04378	2.4
135.08025	2.0
135.11649	1.6
136.03911	7.0
137.05957	7.7
137.09540	0.9
139.07457	0.7
139.11147	1.7
140.04634	3.1
143.10619	1.4
145.02808	1.2
145.10077	0.8
147.04387	0.8
147.11601	0.7
148.05165	1.3
149.02359	0.6
149.05943	16.2
149.09552	1.3
149.13231	1.3
151.03888	1.7
151.11101	0.9
152.04630	1.9
153.05412	0.9
153.09079	4.2
154.94397	0.5
155.07014	2.9
159.04393	2.9
163.03873	1.1
163.07466	0.9
163.11142	0.8
163.14871	1.0
165.05502	1.1
166.06297	0.5
167.07008	100.0
168.07370	2.0
171.10149	2.1
173.13237	2.4
176.04663	0.6
177.05444	28.9
178.06146	0.6
180.07776	0.6
181.04803	1.1
181.08662	1.3
184.05203	1.0
190.17480	0.8
191.07001	1.8
191.10692	0.8
191.14293	2.4
194.05676	1.5
195.06544	1.3
200.77550	0.5
209.08081	11.0
209.09947	0.8
209.15010	3.2
209.83600	0.6
212.04674	1.5
218.20695	0.6
227.06995	3.2
227.09125	3.6
227.16093	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	226.9714
Annotation	Unknow
Peak:m/z	Relative Intensity
58.14771	2.5
64.22731	2.3
68.64732	2.7
68.72320	2.4
68.75616	2.5
70.69395	5.2
70.69730	3.5
94.92970	15.1
97.85681	2.8
108.49311	2.5
111.75777	2.8
150.95561	100.0
166.94954	4.1
180.96657	13.4
196.85721	4.9
208.96104	21.8
226.86635	19.9
226.97166	50.8
226.99297	5.0
228.06253	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	227.0909
Annotation	Ficusol
Peak:m/z	Relative Intensity
51.00305	0.2
53.03918	1.2
55.01850	1.1
55.05490	1.3
57.03394	0.3
57.07059	0.3
58.06573	0.5
63.46301	0.2
65.03936	0.2
67.05477	0.7
68.99761	0.3
69.03381	0.5
69.07043	1.4
71.04973	0.8
72.04465	0.3
73.02885	0.6
78.04684	2.4
79.05479	2.8
81.03394	0.4
81.07039	1.6
83.04970	0.3
83.08600	1.4
84.08121	1.4
85.02885	0.3
85.06487	0.4
89.03887	0.8
91.05459	5.9
93.07015	4.8
94.04166	0.5
95.04955	3.2
95.08587	1.3
96.05750	0.3
97.06493	0.4
97.10115	0.3
98.09627	0.6
98.20769	0.5
99.04430	1.0
99.08089	0.3
100.07594	3.1
100.11234	2.0
103.05443	5.2
105.03375	0.4
105.04506	0.5
105.06975	0.5
106.04146	1.9
107.04935	3.2
107.08561	1.9
107.45975	0.2
109.02897	0.3
109.06504	1.7
109.10141	0.6
111.04414	0.5
111.08058	2.4
112.11210	0.4
117.03329	0.9
119.04910	1.1
119.08530	0.5
120.05667	0.3
121.06483	10.4
121.10122	1.4
122.03623	1.0
123.04405	6.3
123.11676	0.5
124.05189	2.5
125.05968	0.3
125.09608	0.7
131.04906	5.1
131.08575	0.4
133.02824	1.2
133.10112	0.5
134.03596	1.8
135.04376	1.0
135.11653	0.8
137.05952	7.3
137.09502	0.3
140.04666	3.0
143.08527	0.3
145.02808	0.9
145.10065	0.7
147.04379	1.1
148.05136	2.0
149.05952	14.1
149.09531	0.3
151.03857	0.9
152.04636	1.6
153.09056	1.5
155.07031	1.9
159.04379	3.4
160.42368	0.2
162.03085	0.3
163.03868	1.1
163.07484	0.5
163.11153	1.1
165.05443	1.0
167.07002	100.0
168.07372	1.5
169.08577	1.8
169.13373	0.4
176.04626	0.9
177.05437	29.3
178.05765	0.5
181.04880	0.5
181.08514	1.1
185.11690	0.5
185.13261	0.5
191.07004	1.3
191.10544	0.3
194.05768	1.0
195.06448	0.8
195.10191	1.5
197.08076	0.5
209.08046	10.0
209.15242	0.5
227.09023	2.8
227.12697	1.1
227.14507	0.6
227.17854	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.091
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03922	1.0
53.48513	0.4
55.01859	1.0
55.05495	4.2
57.03420	0.7
57.07056	0.8
58.06575	0.7
67.05484	0.8
67.89732	0.4
67.99805	0.4
69.03403	1.0
69.07050	3.0
69.43311	3.1
70.06587	0.8
71.04963	1.6
73.02882	1.0
77.00351	0.4
77.03909	0.4
78.04700	2.6
79.05466	3.0
81.03387	0.5
81.07054	2.2
83.04956	0.7
83.08598	1.7
84.08123	2.5
85.06521	0.7
86.09689	6.2
89.03896	1.2
91.05469	7.1
93.07033	5.7
94.04183	0.4
95.04954	9.7
95.08594	2.0
96.05711	0.6
97.06518	2.1
98.09688	0.7
98.20753	0.9
98.98450	21.7
99.04424	1.4
99.08087	2.8
100.07625	2.4
100.11241	5.8
100.61298	0.4
103.05453	5.4
105.03374	0.8
105.04507	0.6
105.06991	1.3
106.04147	1.8
107.04939	3.4
107.08571	3.1
109.06500	2.6
109.10131	1.2
110.07105	0.5
110.65151	0.4
111.08080	0.6
112.11225	0.6
115.07533	0.8
116.07092	0.6
116.99523	0.5
117.03358	1.1
119.04911	1.4
119.08540	1.0
120.05696	0.4
121.06485	11.1
121.10114	2.3
122.03613	0.9
123.04406	7.3
123.11660	0.9
124.05197	2.4
125.05929	0.8
125.09615	0.7
127.07510	1.2
131.04906	4.6
131.08505	0.7
133.02785	1.3
133.10133	2.8
134.03601	1.8
135.04413	2.0
135.05272	0.4
135.08020	1.5
135.11647	0.4
137.05952	8.6
137.09546	0.5
139.11174	0.9
140.04669	2.7
145.02786	0.9
147.04376	1.1
147.11700	0.9
148.05174	1.7
149.04776	0.8
149.05962	14.9
149.09581	0.6
149.13231	1.1
151.03868	1.2
151.11102	0.6
152.04669	2.2
153.03111	2.0
153.05406	0.5
153.09108	2.6
155.04651	0.9
155.07002	2.6
159.04404	3.3
163.03864	1.1
163.07489	0.9
163.14795	0.8
165.05432	1.0
167.07007	100.0
168.07368	1.2
171.04156	0.9
171.10196	0.6
173.13210	1.2
176.04643	1.1
177.05438	30.2
178.06029	0.6
181.04895	1.3
181.08691	0.9
184.05142	0.8
191.06984	1.3
191.14285	1.5
194.05754	1.4
195.06461	1.0
209.08047	11.6
209.15115	2.2
212.04659	1.0
227.07068	2.6
227.09000	3.2
227.16161	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	225.148
Annotation	Annuionone A
Peak:m/z	Relative Intensity
50.95412	0.9
53.03957	0.9
55.05505	4.3
55.54966	0.8
57.07059	1.8
59.04999	1.7
61.00251	1.0
67.05482	2.6
69.03411	1.6
69.07058	4.0
69.22971	0.9
70.37248	2.0
70.37653	2.0
71.01350	1.0
71.04977	35.6
74.76791	0.8
79.05484	3.5
81.03389	1.5
81.07037	5.9
83.04955	3.8
83.08624	6.2
85.02894	2.5
85.06509	1.9
85.85455	1.0
91.05447	4.3
93.07025	4.5
95.04951	1.6
95.08603	8.9
97.06503	6.9
99.04435	100.0
99.08073	2.1
105.07016	6.2
107.08573	32.8
109.06490	25.7
109.10127	1.9
111.08051	2.2
113.09642	3.3
119.04924	0.8
119.08550	4.9
121.10119	15.1
121.97350	0.9
123.08035	22.0
123.11678	16.0
125.09601	8.4
127.07561	1.0
128.24892	1.0
131.08553	2.2
132.32059	1.0
133.10063	1.6
137.05899	1.1
137.09566	3.3
137.13264	2.9
139.11176	3.2
141.09128	1.1
141.12738	2.1
145.10135	1.2
147.11653	9.8
149.09596	16.2
151.07520	1.8
161.13258	1.2
163.11151	1.3
165.12733	15.1
167.10638	31.5
171.11665	1.4
179.14316	2.4
181.25041	0.9
183.13771	39.2
189.12680	5.2
207.06485	2.2
207.13768	8.0
225.14812	30.2
246.29895	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1481
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
51.02344	1.1
52.67947	1.2
53.03925	1.7
55.01856	1.7
55.05513	7.1
57.07054	2.7
59.04973	1.9
65.03903	1.8
66.27592	1.1
67.05474	4.3
68.99778	1.4
69.03407	1.9
69.07037	4.7
70.96552	2.0
70.96922	2.6
71.04602	2.1
71.04980	39.0
72.08150	1.4
78.58714	1.1
79.05472	7.8
81.03407	2.5
81.06641	1.6
81.07041	15.8
83.04952	4.3
83.08608	5.9
85.02884	2.7
85.06521	5.8
87.04415	1.6
91.05466	22.7
93.07027	12.0
95.04942	8.8
95.08582	18.4
97.06496	4.8
99.04436	100.0
99.08057	3.4
100.07589	4.6
105.03391	2.9
105.07011	13.5
107.04932	7.3
107.08576	35.3
109.06497	25.1
109.10117	4.1
111.08060	2.9
113.05972	2.6
113.09586	5.3
115.03961	1.1
119.04932	14.6
119.08561	15.4
121.10120	65.7
123.04392	3.1
123.08051	31.3
123.11677	14.0
125.05936	3.4
125.08233	1.3
125.09611	9.1
127.07491	3.1
131.08534	3.6
132.02063	1.9
133.06442	1.3
133.10065	3.9
135.04353	3.6
135.08025	2.8
135.11652	2.4
137.05988	6.3
137.09535	4.1
137.13206	4.4
139.11154	2.9
140.04739	1.8
141.09053	1.4
141.12695	3.0
143.08560	1.4
143.16498	1.3
145.10141	1.4
147.04369	11.8
147.11656	8.2
149.02338	2.4
149.09601	19.4
151.03885	1.6
151.07472	4.2
151.11118	1.8
156.09288	2.8
161.13237	15.3
163.03850	4.0
163.11174	8.3
164.04588	1.7
165.01808	1.9
165.05470	5.5
165.09120	1.8
165.12726	17.7
167.06932	2.2
167.10655	29.4
171.11664	5.0
175.02480	2.1
175.03871	21.6
179.06960	1.4
179.14262	23.2
180.04173	10.4
181.12277	2.7
182.05830	1.4
183.06491	4.2
183.13780	32.3
185.41190	1.2
189.12724	12.9
192.04105	7.3
193.04895	7.3
195.06464	3.4
197.08122	1.9
207.06436	37.3
207.13776	30.5
208.06071	3.2
210.05229	1.4
225.07465	11.9
225.12560	2.4
225.14793	45.6
225.19537	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	225.1481
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
55.05494	1.3
57.07080	1.6
66.88172	0.6
67.05497	4.1
69.07066	0.8
71.04955	0.9
71.16357	1.2
74.70786	0.7
79.05478	2.2
81.07044	18.8
81.53011	0.6
83.05002	0.7
84.08121	0.7
85.02892	100.0
91.05461	1.9
93.07034	3.2
95.08597	5.2
99.04453	1.2
101.25351	0.6
105.07013	3.0
107.08561	5.1
109.06476	1.0
109.10136	10.2
119.04962	0.7
119.08572	2.6
121.06491	1.0
121.10126	7.6
123.08071	2.0
123.11686	79.2
125.05978	6.4
131.08578	1.6
133.06500	0.8
137.09637	0.8
139.11185	1.2
145.10117	1.6
147.04419	0.8
147.08081	2.7
147.11659	3.8
147.60167	0.7
149.09579	8.0
151.07561	2.1
156.09320	0.6
160.22716	0.6
161.09615	0.9
161.13237	1.4
165.09160	0.7
165.12767	1.2
169.08633	1.3
171.11639	1.0
174.10439	0.8
175.03931	0.8
178.96780	0.6
179.14384	0.7
189.12723	4.6
191.08392	0.7
207.06448	0.8
207.13776	21.8
225.14810	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	225.1481
Annotation	Annuionone A
Peak:m/z	Relative Intensity
55.05495	5.5
57.03432	1.1
57.07057	1.4
59.04996	0.9
67.05482	3.2
69.03405	1.4
69.07057	1.4
69.98547	3.8
70.06555	1.3
71.04984	37.2
79.05474	5.0
81.03392	1.4
81.07038	6.6
83.04958	2.6
83.08606	6.9
84.08117	1.4
85.02871	1.1
85.06525	1.8
86.09669	1.0
91.05450	6.0
93.07027	3.3
95.04943	2.1
95.08591	8.2
97.06515	2.6
98.21413	1.4
99.04440	100.0
100.07592	1.1
105.07018	5.9
107.04923	1.0
107.08575	33.0
109.06499	28.0
109.07253	1.3
109.10127	1.7
113.05930	1.0
113.09621	4.6
115.07493	0.9
119.04900	3.1
119.08571	4.3
121.10133	15.2
123.08051	22.2
123.11687	12.5
125.05989	2.1
125.09628	9.3
131.08548	2.5
137.09558	2.1
139.11189	1.6
141.12743	1.8
143.08540	1.2
145.10182	1.0
147.04373	2.4
147.11668	8.5
149.09599	29.7
151.07527	5.1
151.11177	1.6
161.13185	4.0
163.11224	1.2
165.12730	12.8
167.10645	33.2
169.08527	1.1
171.11708	1.5
175.03867	4.8
179.14261	2.5
183.12140	2.0
183.13777	36.5
184.14119	1.1
189.12729	5.4
189.14307	0.9
189.16411	0.9
192.04173	1.2
207.06485	6.7
207.13786	9.3
215.86421	0.9
225.14804	38.0
225.19458	1.5
241.50255	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.148
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
55.05487	7.1
57.07051	4.6
59.04984	2.8
67.05473	7.1
69.07042	8.4
69.18159	12.3
69.18591	8.1
71.04985	55.8
79.05476	5.2
81.07044	11.6
83.04958	23.5
83.08589	7.2
85.02888	9.1
85.06512	4.5
87.04459	3.1
88.94957	1.7
91.05455	6.2
93.07011	7.1
95.04969	2.4
95.08595	18.0
97.06510	19.4
98.21124	10.7
99.04439	100.0
99.08068	22.0
105.03342	2.0
105.07019	11.6
107.08573	42.1
109.06499	39.0
109.10144	5.0
111.08023	6.5
113.09605	5.0
115.07494	1.9
119.04852	1.8
119.08575	10.1
121.10126	31.1
123.08053	74.1
123.11695	19.8
125.09612	10.8
127.07531	21.7
131.08585	2.8
135.11650	5.1
137.09557	5.4
137.13211	6.9
139.11118	6.6
141.09035	4.6
145.10075	2.8
147.11671	17.0
149.09590	30.5
151.07512	3.1
155.10620	15.4
161.13197	3.7
161.27238	1.9
163.11121	4.1
163.45000	1.8
164.98434	6.8
165.12730	19.0
167.10661	38.0
169.08536	6.4
179.14310	20.4
183.13786	33.2
186.77036	2.0
189.12741	9.7
207.06552	2.1
207.13768	24.8
225.14807	70.5
225.19576	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	225.148
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03925	6.6
55.01851	8.1
55.05496	15.7
56.96542	4.1
57.03423	3.6
57.07056	11.9
58.06577	3.9
59.04973	8.3
65.03925	4.6
67.05479	23.7
68.99761	3.2
69.03415	17.0
69.07053	24.6
70.06564	3.4
71.04977	46.1
71.08603	4.6
71.52845	4.0
72.08129	7.0
77.03905	3.8
78.04695	3.9
78.27323	2.6
79.05477	30.1
80.16101	2.5
81.03404	6.0
81.07036	52.1
82.01778	2.9
83.04960	36.1
83.08592	13.0
84.08121	20.9
85.02882	20.0
85.06519	11.9
87.04449	11.9
91.05461	60.9
93.07022	41.1
95.04955	31.7
95.08589	51.0
97.02863	7.0
97.06516	23.8
97.10116	4.2
98.09663	6.9
99.04437	100.0
99.08057	8.8
100.07584	30.2
101.06006	6.1
103.05405	3.3
105.03407	15.0
105.07006	47.0
107.04935	20.6
107.08574	81.3
109.06493	59.7
109.10136	36.2
111.04401	8.8
111.08039	14.6
112.11221	6.7
113.05994	4.8
113.09642	5.1
117.06969	4.2
118.04120	6.1
119.04914	41.9
119.08570	38.2
120.08037	4.2
121.02864	2.8
121.06499	9.3
121.09313	5.0
121.10120	56.3
123.04383	11.9
123.07188	6.1
123.08044	89.6
123.11689	30.9
125.05952	16.5
125.09600	29.1
127.07533	8.8
129.06941	5.5
131.08543	9.7
132.02065	4.0
133.02814	5.1
133.06487	6.9
133.10127	20.5
134.10829	2.8
135.04385	6.5
135.08025	7.5
135.11661	10.1
136.05177	6.7
137.05954	22.3
137.09598	28.7
137.13264	6.3
139.07448	3.2
139.11125	12.0
140.14247	3.5
141.06934	3.4
141.09114	7.2
141.12820	4.0
143.08511	4.1
144.67180	2.4
145.06564	2.7
145.10052	10.2
147.04390	41.4
147.08017	8.4
147.11641	35.3
149.02310	4.3
149.09586	45.3
151.07516	37.7
151.11147	32.3
153.05418	5.8
154.12241	7.0
155.07066	6.2
156.09320	7.0
159.11510	3.1
161.09573	13.8
161.13214	25.6
163.03842	9.5
163.11156	25.7
164.04736	3.8
165.01811	6.1
165.05420	13.2
165.06837	5.1
165.09129	6.6
165.12723	24.5
167.06990	24.8
167.10652	58.3
169.08589	8.8
171.11661	9.9
173.13142	4.6
175.03877	50.4
179.06999	57.3
179.10573	7.5
179.14246	13.3
180.04138	19.9
181.08582	6.5
181.12325	3.6
182.05701	3.6
183.06480	10.9
183.11995	3.9
183.13754	33.3
188.52184	3.1
189.09055	4.1
189.12706	30.8
189.16386	3.5
192.04189	19.1
193.04884	13.8
195.06511	7.2
197.07948	4.9
207.06480	92.2
207.10083	7.9
207.13754	66.6
208.06786	4.4
208.16931	13.2
225.05434	5.3
225.07307	32.4
225.09169	7.9
225.10968	3.2
225.12672	3.9
225.14754	78.7
225.19661	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	225.148
Annotation	Annuionone A
Peak:m/z	Relative Intensity
50.77171	1.0
53.23965	1.1
55.01848	1.1
55.05498	5.3
57.07053	3.2
59.04996	1.5
59.33716	1.0
67.05488	3.4
67.70517	0.9
69.07047	2.7
71.04597	1.9
71.04977	34.6
71.08607	1.5
71.53237	2.2
71.73579	1.0
73.72650	1.0
79.05475	3.3
81.03380	1.9
81.07038	8.2
83.04964	1.9
83.08585	6.7
85.02893	1.9
88.31635	1.1
91.05463	4.4
91.43550	1.1
93.07019	3.7
95.04947	2.4
95.08593	9.7
97.06513	2.3
98.09635	1.0
99.04436	100.0
99.08054	1.3
100.11224	2.2
101.95016	10.1
105.03387	5.5
105.07005	5.6
107.04918	1.1
107.08572	31.8
109.06503	20.4
109.10139	3.2
111.04435	1.2
113.09650	5.1
119.04892	2.0
119.08541	5.2
119.96031	4.9
120.05569	1.1
121.10122	13.7
123.08047	23.6
123.11672	13.9
125.05972	1.5
125.09605	9.0
131.08487	2.1
137.09576	4.4
137.13239	1.2
137.97096	3.1
139.11111	2.3
147.04344	2.8
147.11653	8.7
149.09575	20.6
151.07611	1.3
155.98174	2.4
160.98657	6.8
161.13191	3.4
165.08987	1.3
165.12706	11.7
167.10649	35.7
175.03888	4.5
178.99754	4.8
179.14255	2.8
183.13754	35.0
183.15347	2.1
184.00256	1.7
188.00845	1.1
189.12700	4.5
192.04100	1.2
193.15997	1.2
196.76405	1.4
207.06493	5.7
207.13802	7.4
210.48976	1.2
225.09123	3.4
225.12633	3.0
225.14772	32.0
225.19566	4.0
225.21977	1.9
226.09721	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	225.148
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
52.06415	1.0
53.03937	1.7
55.01867	1.5
55.05500	8.9
57.03413	1.4
57.07057	2.7
58.06601	1.1
59.04990	1.2
63.61160	0.8
65.03928	1.7
66.57117	0.8
67.05493	5.7
69.03425	5.4
69.07056	3.9
70.06585	1.3
71.04980	38.8
71.08607	1.0
71.22881	1.5
71.23207	1.0
72.04486	1.0
72.08157	0.9
79.05481	8.0
81.03398	3.1
81.07034	12.3
83.04963	10.3
83.08600	8.5
84.08104	4.4
85.02888	14.8
85.06532	1.4
87.04457	1.1
91.05459	14.9
93.07029	6.2
95.04947	4.5
95.08592	10.8
97.02903	4.3
97.06531	4.5
97.10191	1.0
98.09709	0.9
99.04435	100.0
100.07600	4.3
101.95022	2.3
105.03374	3.7
105.07018	7.8
107.04923	5.3
107.08574	44.9
109.06503	22.8
109.10127	5.3
111.04446	2.6
112.11235	1.3
113.02335	1.3
113.05977	1.0
113.09625	4.7
119.04917	12.7
119.08580	4.7
119.96070	1.3
121.10116	17.5
123.04412	1.8
123.08041	38.7
123.11675	18.7
125.05984	2.2
125.09608	13.8
131.08528	2.5
133.02876	1.6
133.10097	2.9
137.05954	2.8
137.09587	2.9
139.11124	5.3
141.12640	2.1
147.04402	9.0
147.08131	1.1
147.11679	8.8
149.02335	1.4
149.09589	16.0
151.03938	1.4
151.07513	2.4
154.12244	1.0
155.06960	1.2
161.09575	1.7
161.13271	1.7
163.03877	3.3
163.11104	1.6
165.01811	1.1
165.05440	1.9
165.12715	12.1
167.06978	6.1
167.10641	40.6
169.08586	1.4
169.10049	1.7
175.03865	13.1
179.07027	2.7
179.08562	1.5
179.10538	1.1
179.14413	1.2
180.04147	8.7
182.05736	1.3
183.06523	1.2
183.11809	1.5
183.13768	33.6
189.12656	4.7
189.16399	0.9
192.04208	2.7
193.04958	3.4
195.06537	3.2
207.06494	21.8
207.08395	1.4
207.13750	5.8
225.07219	4.9
225.09299	2.3
225.11102	1.7
225.12656	1.1
225.14706	27.0
225.19644	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	225.1482
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03946	1.3
55.01849	1.7
55.05502	5.7
57.03416	1.8
57.07052	3.4
57.56449	1.0
59.04964	1.5
65.03934	2.5
66.39989	1.1
67.05489	6.3
69.03416	2.1
69.07058	5.6
69.35872	11.4
71.04980	39.1
79.05486	9.1
81.03395	2.7
81.07040	15.3
83.04961	4.1
83.08608	6.3
84.08123	2.0
85.02871	3.5
85.06552	5.9
89.03864	1.2
91.05465	21.8
93.07030	13.4
95.04950	6.8
95.08590	13.5
97.06515	4.5
99.04439	100.0
99.08057	2.4
100.07590	6.2
105.03355	1.8
105.07021	15.3
107.04942	7.0
107.08574	37.5
109.05796	2.0
109.06493	25.1
109.10130	4.2
111.08098	2.4
113.05978	3.8
113.09618	3.9
118.04202	1.8
119.04905	14.3
119.08554	17.1
120.08107	1.2
121.06444	1.3
121.10124	59.3
123.04460	2.7
123.08043	33.2
123.11701	13.1
125.05977	3.2
125.09611	8.2
127.07534	2.7
128.06192	1.5
131.08546	4.8
132.02068	1.5
133.02832	2.2
133.10110	3.3
135.04379	3.0
135.08034	3.1
135.11691	2.2
137.05945	5.2
137.09587	4.2
137.13194	5.4
139.11182	2.5
141.12743	1.7
143.08495	1.7
147.04382	13.3
147.08028	2.5
147.11668	10.8
149.02269	3.3
149.09586	21.9
151.03894	1.5
151.07513	4.8
151.11127	1.1
156.09328	1.8
161.13219	12.4
162.05502	1.5
163.03888	5.2
163.11137	8.0
164.04626	2.1
165.01807	1.4
165.05389	4.0
165.12727	18.7
167.10646	34.0
169.08595	2.1
171.11694	4.5
175.03876	22.9
179.06958	2.1
179.14278	23.4
180.04158	12.6
183.06508	4.2
183.12149	2.1
183.13774	31.6
189.12726	14.5
192.04131	7.5
193.04907	7.4
195.06512	3.7
197.08011	1.4
207.06436	38.1
207.13766	33.4
208.06006	2.1
208.16931	1.9
225.07491	10.7
225.14822	45.4
225.19562	4.6
228.12070	1.1
229.24780	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	225.148
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03939	2.4
55.05496	11.4
57.03403	4.3
57.07051	6.3
59.04973	7.0
67.05475	10.5
69.03389	9.0
69.07063	11.2
69.54521	13.5
70.06544	2.7
71.04601	3.5
71.04977	56.8
79.05463	7.8
79.25223	2.2
81.07040	23.4
83.04963	46.5
83.08597	5.0
84.04472	2.4
84.08100	8.0
85.02863	9.4
85.06493	5.0
91.05456	22.0
93.07021	14.1
95.04949	11.0
95.08589	23.2
97.06502	27.1
97.10109	3.2
99.04434	69.4
99.08080	27.9
100.07590	7.2
100.08292	2.0
105.03384	4.2
105.06997	22.3
105.08109	2.2
107.04929	5.5
107.08572	49.2
109.06499	41.8
109.10108	12.6
111.04405	7.6
111.08041	8.9
113.05988	3.4
119.04895	11.5
119.08569	17.9
121.06448	8.7
121.10121	29.4
123.04414	4.6
123.08043	100.0
123.11681	20.1
125.05933	5.5
125.09586	21.5
127.07532	23.7
131.08502	4.8
133.06490	3.5
133.10088	9.5
135.11658	6.7
137.05942	6.4
137.09569	10.9
137.13226	10.3
139.11159	12.5
141.09065	6.9
143.08545	2.8
145.10075	5.1
147.04388	11.5
147.08009	6.0
147.11670	20.1
147.25168	2.3
149.09601	30.0
151.07489	10.6
151.11145	4.9
155.10622	11.0
156.09407	3.4
159.11636	4.8
161.09579	3.8
161.13200	18.7
163.11137	9.0
165.09013	3.1
165.12756	15.2
167.06969	5.1
167.10640	34.6
169.08528	6.8
171.11661	6.6
175.03883	14.9
179.07051	2.6
179.14281	24.9
180.04079	4.2
183.06541	2.4
183.13785	19.7
189.12709	21.6
192.04137	4.1
193.04887	4.3
202.71819	2.2
207.06519	27.5
207.13776	56.6
208.16949	5.2
225.14781	83.9
225.19487	8.7
240.66249	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	225.0753
Annotation	Sepedonin
Peak:m/z	Relative Intensity
51.92805	0.6
53.03918	1.8
55.01848	1.5
55.05500	2.9
57.03407	1.8
57.07065	2.9
58.06562	0.9
59.04982	0.7
65.03922	3.0
65.62063	0.5
67.05488	3.6
68.36089	0.6
69.03398	1.9
69.07050	2.7
70.06561	2.2
70.50504	1.3
70.50847	1.0
71.04976	6.1
71.08594	0.9
71.40017	0.5
72.07839	0.5
72.08134	4.6
77.03889	1.2
78.04714	0.6
79.05486	4.8
81.03382	1.3
81.07039	6.3
83.04967	5.0
83.08574	1.8
84.08125	6.8
85.02867	2.3
85.06506	2.0
85.08437	0.7
86.09671	1.5
86.99046	0.5
87.04451	0.9
89.03875	1.1
91.05461	41.0
92.05772	0.9
93.03365	0.9
93.07022	5.3
94.04154	0.8
94.07355	0.6
95.04951	12.2
95.08582	5.5
97.02845	1.5
97.06496	2.5
98.09665	1.2
98.97556	1.7
99.04430	14.6
100.07587	6.5
100.11226	0.6
100.32592	0.6
103.05421	2.3
104.57727	0.5
105.03342	3.5
105.04504	0.7
105.07001	6.1
105.55543	0.6
107.04924	7.2
107.08580	8.9
107.78403	0.6
108.05659	0.6
109.02838	0.6
109.06493	7.8
109.10104	2.4
111.04404	1.1
111.08060	1.3
112.11208	1.2
113.09587	0.8
116.98586	1.4
117.03331	0.9
117.06979	1.0
118.04134	4.1
119.04916	47.1
119.08552	8.0
120.08100	5.3
121.02806	1.1
121.06474	4.3
121.10118	9.6
121.74885	0.5
122.03638	1.4
122.06808	4.1
123.04407	3.7
123.08037	9.7
123.11675	3.3
125.05965	4.4
125.09589	2.5
126.09234	0.8
126.22282	0.6
127.03963	0.8
127.07505	0.8
129.03395	0.9
129.06949	1.5
131.04832	0.6
131.08559	1.3
132.02010	3.3
133.02837	3.1
133.06447	1.1
133.10077	2.6
135.04376	4.2
135.08012	1.6
135.11650	1.0
136.05150	1.8
136.08598	0.6
137.05945	5.7
137.09564	2.4
137.13211	1.0
139.07475	0.9
139.11098	1.0
140.14278	0.8
141.09045	1.0
143.08501	1.7
144.10191	0.7
145.02802	0.8
145.10066	1.6
146.03607	1.3
147.04378	39.6
147.07985	5.1
147.11649	2.8
148.04684	0.7
149.02287	6.0
149.05930	0.7
149.09601	5.6
150.03078	0.9
151.03850	2.3
151.07515	5.1
151.11177	1.0
153.05376	1.6
154.12270	0.7
155.07071	0.9
157.03943	4.2
158.99666	0.8
159.11703	0.7
161.02362	1.2
161.09579	2.0
161.13239	3.6
163.03902	4.9
163.11151	9.4
164.04652	4.3
164.06982	1.2
165.01772	2.4
165.05455	4.6
165.07368	1.3
165.09061	1.5
165.12715	3.2
167.06985	2.2
167.10654	6.7
169.08563	2.4
171.11688	1.0
174.03087	1.3
175.03868	62.6
177.01784	1.7
179.06984	5.3
179.10533	0.9
179.14255	3.2
180.04132	10.7
181.08513	1.3
181.12242	2.1
182.05751	0.7
183.06483	3.9
183.13750	3.5
185.03845	0.8
189.00633	0.9
189.09044	1.7
189.12708	3.1
192.04117	21.5
193.04898	7.0
195.06471	3.3
197.08026	0.9
207.06473	100.0
207.10037	3.2
207.13768	9.6
208.06430	1.1
208.16899	2.3
210.05072	0.8
225.04034	0.8
225.05545	0.6
225.07480	10.3
225.11061	0.8
225.14754	13.4
225.16864	0.9
225.19574	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0754
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
53.03930	0.6
55.01868	0.5
55.05497	0.7
57.07088	0.5
59.13918	0.4
65.03612	0.3
65.03907	2.4
69.07084	0.6
69.94505	2.2
71.04980	0.7
72.08138	0.4
73.34091	0.4
77.03903	1.0
79.05488	1.0
81.07029	0.9
84.08125	1.2
89.03877	1.0
91.05464	33.6
93.03394	0.4
93.07031	1.5
95.04951	2.5
95.08570	1.0
95.69962	0.4
97.06511	0.4
98.09669	0.6
99.04448	1.2
100.07597	1.0
103.05446	1.5
105.03381	1.1
105.07006	1.0
107.04929	1.0
107.08565	1.4
108.05770	0.5
109.06464	1.0
109.10140	0.5
112.11173	0.6
118.04124	4.4
119.04920	41.4
119.08570	1.0
121.02825	1.1
121.06505	1.0
121.10159	0.9
123.04385	0.7
123.08043	1.4
123.11684	0.6
125.05956	1.2
125.09579	0.8
127.48648	0.4
129.03291	0.8
131.04944	0.7
131.08604	0.5
132.02037	2.9
133.02831	0.8
133.10107	0.4
134.03677	0.5
135.04401	1.4
135.08096	0.5
135.11728	0.4
136.05150	1.7
137.05968	2.1
137.09590	0.7
145.02829	1.4
146.03592	1.4
146.59169	0.4
147.04382	35.7
147.11652	0.9
148.04875	0.6
149.02316	4.9
149.09602	0.8
151.03896	1.9
151.07523	1.2
155.06969	0.5
157.03944	3.3
161.13243	0.6
162.03116	0.5
163.03883	1.2
163.11159	1.7
164.04680	3.7
165.05467	0.5
167.10582	1.4
174.03123	1.0
175.03874	62.9
176.04356	0.5
177.01773	1.9
177.05356	0.4
179.07030	3.7
180.04146	0.5
181.08557	0.6
183.06523	0.9
189.12709	1.0
192.04132	20.6
193.04802	0.7
207.06487	100.0
207.13762	1.7
208.06859	0.6
225.07469	1.3
225.09349	0.5
225.12791	0.5
225.14775	2.0
225.16716	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1324
Annotation	2-Hydroxyibuprofen
Peak:m/z	Relative Intensity
53.03935	1.9
55.01853	2.2
55.05496	8.1
56.96545	3.5
57.03403	0.8
57.07048	3.3
57.07305	0.9
59.04979	1.6
61.15356	0.7
63.61692	0.7
67.05492	6.1
68.99779	2.0
69.03416	9.8
69.07062	6.2
71.04971	2.2
71.52434	1.6
72.08135	3.4
79.05479	8.1
81.03376	1.0
81.07037	13.1
83.04964	68.1
83.08599	2.5
84.08138	0.8
85.02878	2.3
85.06518	1.5
86.09675	0.8
89.40152	0.6
91.05463	11.5
93.07024	44.1
95.04953	7.6
95.08582	8.1
97.02869	2.5
97.06495	6.2
99.04414	1.3
100.11804	0.7
103.05419	2.6
105.04564	0.8
105.07005	10.7
107.04932	6.9
107.08576	10.5
109.06501	10.1
109.10131	9.8
111.08044	4.7
115.05428	1.1
117.07010	3.2
119.08546	6.8
121.06490	34.7
121.10119	100.0
122.07259	1.3
122.10422	1.0
123.04439	1.4
123.08042	23.7
123.11648	0.9
125.05962	3.0
125.09623	2.0
127.07508	0.8
129.06969	1.3
131.04942	1.0
131.08546	2.7
133.07570	1.2
133.10097	4.5
135.04396	2.3
135.08031	4.2
135.11655	6.3
137.05948	2.1
137.09590	15.7
138.10373	6.3
139.07529	5.8
145.06445	2.6
145.10115	4.9
147.08014	2.8
147.11678	1.5
149.02322	7.8
149.05956	53.9
149.09575	2.3
149.13257	1.0
150.06271	1.3
151.11137	0.9
152.10718	2.0
153.05453	1.1
158.05927	2.1
159.08083	1.1
159.11662	10.2
161.09625	2.6
161.13251	0.8
162.03096	1.0
163.03867	1.4
163.07515	4.2
163.11160	12.6
165.09047	2.0
167.07005	7.9
177.05409	1.7
177.09077	1.1
177.12733	14.0
178.01376	0.7
181.08525	1.0
181.12131	1.6
187.11137	6.0
187.14807	1.0
190.02699	0.9
195.13802	0.8
205.12202	51.4
206.12546	1.3
208.03633	1.9
223.04109	1.4
223.05966	6.7
223.09554	1.1
223.11311	1.1
223.13210	17.2
223.16933	2.6
223.20470	1.2
224.09105	1.0
225.04256	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32487	2.0
55.05498	54.9
57.07064	41.0
67.05488	2.9
68.89569	2.5
69.07056	100.0
71.08614	24.1
71.53285	2.7
72.71162	2.4
73.88146	2.4
81.07043	5.4
83.04992	2.8
83.08604	70.1
85.10152	13.4
86.02717	2.0
86.06026	1.9
95.08572	5.1
97.10155	61.7
98.98389	2.5
109.10121	2.4
111.11699	34.3
121.10066	2.2
125.13237	7.2
128.54196	2.4
131.54176	2.6
135.11732	2.9
139.09732	2.8
149.02310	15.1
163.09755	7.2
203.26808	2.7
223.06003	3.8
223.13248	3.3
223.16879	5.4
224.09045	3.7
225.04202	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93040	1.1
69.91781	7.3
82.99844	1.2
98.21385	1.6
101.00858	19.7
119.01898	100.0
120.02003	2.2
124.02433	2.3
137.02930	34.0
142.03474	55.5
142.04594	2.7
143.03764	1.2
160.04536	18.8
161.02933	21.0
165.05048	2.8
167.65094	1.2
177.00919	13.0
179.03972	38.7
181.98689	1.2
184.04535	6.3
190.49527	1.3
199.50034	8.3
200.00153	3.3
200.50079	1.5
202.00374	1.6
202.05620	5.3
211.00789	3.4
211.50922	1.7
217.04083	1.6
219.01958	11.5
220.02106	1.9
238.95595	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	223.1324
Annotation	(+/-)-6-Hydroxy-3-oxo-alpha-ionone
Peak:m/z	Relative Intensity
53.03946	0.6
55.01864	1.1
55.05503	4.0
57.03432	0.3
57.07064	0.3
59.57218	0.2
62.30620	0.2
62.53103	0.3
65.03936	0.8
67.05497	4.7
69.03426	0.7
69.07056	4.1
71.04989	1.4
71.53556	0.4
73.06561	0.3
79.05479	4.3
81.03411	3.7
81.07045	7.6
83.04958	2.5
83.08611	2.1
84.08125	0.3
85.02892	3.1
85.06533	0.7
91.05475	4.3
93.07028	4.9
94.04189	0.3
95.04953	100.0
95.08584	4.9
96.05286	0.8
97.06487	1.5
99.04429	0.4
99.08084	0.5
102.39326	0.3
105.07012	3.0
107.04918	1.2
107.08578	2.7
109.06509	3.2
109.10143	0.4
111.04411	0.4
111.08071	0.7
116.98605	0.3
117.06993	2.2
119.08566	3.6
121.06480	2.9
121.10123	2.7
123.08051	3.6
125.05940	0.5
125.09584	0.5
127.03973	0.3
129.06995	0.8
130.07767	0.6
130.74503	0.3
131.08578	1.3
133.10085	0.8
135.08011	1.7
135.11661	2.9
137.05902	0.2
137.09621	0.3
139.07495	0.6
141.07024	0.4
141.09064	0.4
143.08548	0.7
145.06439	0.3
145.10104	6.6
147.08020	4.1
149.02316	5.2
149.09566	0.5
149.13139	0.4
154.99277	0.3
159.08005	0.4
159.11647	1.8
161.09615	1.8
163.03911	0.3
163.11153	17.3
165.09056	0.3
169.10138	0.7
177.00731	0.4
177.05415	0.5
177.12686	2.0
177.16336	0.5
178.08589	0.3
181.12202	0.6
187.11186	2.5
205.12180	3.4
223.05865	1.9
223.11270	0.7
223.13202	8.6
223.16815	1.1
223.20409	0.4
225.04224	0.8
227.02113	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1325
Annotation	Aristelegone D
Peak:m/z	Relative Intensity
53.03926	4.1
55.01853	6.0
55.05503	9.3
56.05028	2.0
57.03411	3.6
57.07058	4.9
57.93145	1.4
59.04987	12.8
65.03921	2.4
67.05492	14.8
69.03406	12.7
69.07041	13.0
69.57162	3.3
69.57571	8.9
70.06558	2.4
71.04966	5.1
72.08141	6.1
73.02883	1.5
77.03910	2.6
79.05477	16.2
79.90306	1.4
80.02223	1.6
81.03403	4.3
81.06575	2.3
81.07037	27.6
83.04957	18.8
83.08609	4.5
84.08121	25.1
85.02894	14.5
85.06520	4.4
86.09689	46.8
87.04451	3.7
87.10047	2.8
89.06018	5.1
91.05462	32.4
93.07028	83.9
95.01328	3.5
95.04957	23.8
95.08595	11.9
97.02881	9.3
97.06520	11.9
98.09684	2.1
98.97558	2.9
99.04433	4.4
103.05446	5.4
105.03360	2.9
105.04509	2.6
105.07009	23.6
107.04943	5.8
107.08569	27.5
109.02825	2.4
109.06502	12.5
109.10102	8.1
109.50264	1.5
110.09645	2.1
111.04417	3.1
111.08051	6.1
113.02331	6.5
113.05960	5.6
117.06982	9.2
119.04932	3.1
119.08566	22.5
120.08071	4.3
121.02853	2.6
121.06477	100.0
121.10124	19.4
123.04427	7.8
123.08032	8.3
123.11710	1.6
125.05972	2.6
125.09618	6.9
127.07550	7.4
129.06987	4.1
129.10202	8.5
130.08627	10.4
131.04927	2.1
131.08534	9.5
132.08905	1.5
133.06456	3.5
133.10103	7.7
134.02687	1.8
134.03601	2.2
135.04344	1.8
135.08037	12.8
135.11626	9.6
137.05966	4.6
137.09595	5.6
137.37999	1.6
139.07500	9.9
142.07742	1.9
144.09303	4.4
145.06418	5.4
145.10110	13.6
147.07983	8.5
147.11249	9.6
149.02319	14.4
149.05948	31.6
149.09589	34.7
149.10744	3.2
149.13240	4.8
151.09650	1.9
152.10620	1.6
153.09097	6.6
157.10107	6.0
157.13286	8.1
159.08017	5.1
159.11664	29.3
161.05896	1.7
161.09579	4.2
162.03145	1.9
163.03880	3.7
163.07498	4.7
163.11142	15.6
164.07039	5.8
165.09082	7.4
167.07021	24.1
169.10172	1.9
172.08777	3.4
175.11162	12.1
177.05412	5.0
177.09100	3.1
177.12634	12.9
177.13947	1.4
179.10606	4.1
181.12228	6.0
187.11159	16.8
190.02625	1.9
193.12282	2.5
205.04897	2.4
205.08774	2.7
205.12077	26.3
206.15419	4.9
223.04155	3.4
223.06024	15.6
223.09549	3.8
223.13120	43.4
223.18047	6.1
223.21747	2.8
224.09047	2.5
224.12526	1.6
225.04213	10.9
227.02238	2.3
234.52165	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	223.1324
Annotation	(+/-)-6-Hydroxy-3-oxo-alpha-ionone
Peak:m/z	Relative Intensity
50.45145	2.3
55.05503	14.6
57.07062	5.7
59.04984	3.5
59.91297	2.3
64.73300	2.2
67.05499	6.8
69.03403	7.3
69.07044	6.7
69.24491	5.4
69.24892	22.7
71.04986	8.1
73.79931	2.6
79.05464	10.8
81.07044	9.9
81.40248	2.1
83.04977	20.0
83.08601	59.4
85.02888	4.5
91.05455	8.7
93.07031	10.9
95.04913	3.9
95.08588	16.0
97.02875	30.6
97.06522	3.6
98.20915	7.7
99.04462	5.6
102.84087	2.2
105.07019	9.8
107.08571	100.0
109.06487	3.5
109.10146	6.8
111.08079	4.6
117.07040	2.3
119.08560	24.0
121.06497	2.4
121.10128	18.4
123.08050	7.7
125.05986	4.5
125.09598	63.0
131.08517	3.4
133.10121	5.1
135.11682	12.8
137.09584	8.2
139.07498	5.3
144.09329	3.6
145.10129	12.5
147.08000	9.2
147.11678	4.6
149.02299	20.2
153.12730	9.1
159.11653	19.4
163.11148	34.9
165.09077	13.2
172.12430	3.0
174.48151	2.3
177.12752	7.9
181.12207	37.6
187.11131	3.9
187.14789	10.1
205.12170	23.7
205.15921	6.3
207.13850	2.3
223.06049	7.3
223.13126	25.1
223.16884	6.9
223.20543	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	223.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	4.1
55.01853	6.0
55.05503	9.3
56.05028	2.0
57.03411	3.6
57.07058	4.9
57.93145	1.4
59.04987	12.8
65.03921	2.4
67.05492	14.8
69.03406	12.7
69.07041	13.0
69.57162	3.3
69.57571	8.9
70.06558	2.4
71.04966	5.1
72.08141	6.1
73.02883	1.5
77.03910	2.6
79.05477	16.2
79.90306	1.4
80.02223	1.6
81.03403	4.3
81.06575	2.3
81.07037	27.6
83.04957	18.8
83.08609	4.5
84.08121	25.1
85.02894	14.5
85.06520	4.4
86.09689	46.8
87.04451	3.7
87.10047	2.8
89.06018	5.1
91.05462	32.4
93.07028	83.9
95.01328	3.5
95.04957	23.8
95.08595	11.9
97.02881	9.3
97.06520	11.9
98.09684	2.1
98.97558	2.9
99.04433	4.4
103.05446	5.4
105.03360	2.9
105.04509	2.6
105.07009	23.6
107.04943	5.8
107.08569	27.5
109.02825	2.4
109.06502	12.5
109.10102	8.1
109.50264	1.5
110.09645	2.1
111.04417	3.1
111.08051	6.1
113.02331	6.5
113.05960	5.6
117.06982	9.2
119.04932	3.1
119.08566	22.5
120.08071	4.3
121.02853	2.6
121.06477	100.0
121.10124	19.4
123.04427	7.8
123.08032	8.3
123.11710	1.6
125.05972	2.6
125.09618	6.9
127.07550	7.4
129.06987	4.1
129.10202	8.5
130.08627	10.4
131.04927	2.1
131.08534	9.5
132.08905	1.5
133.06456	3.5
133.10103	7.7
134.02687	1.8
134.03601	2.2
135.04344	1.8
135.08037	12.8
135.11626	9.6
137.05966	4.6
137.09595	5.6
137.37999	1.6
139.07500	9.9
142.07742	1.9
144.09303	4.4
145.06418	5.4
145.10110	13.6
147.07983	8.5
147.11249	9.6
149.02319	14.4
149.05948	31.6
149.09589	34.7
149.10744	3.2
149.13240	4.8
151.09650	1.9
152.10620	1.6
153.09097	6.6
157.10107	6.0
157.13286	8.1
159.08017	5.1
159.11664	29.3
161.05896	1.7
161.09579	4.2
162.03145	1.9
163.03880	3.7
163.07498	4.7
163.11142	15.6
164.07039	5.8
165.09082	7.4
167.07021	24.1
169.10172	1.9
172.08777	3.4
175.11162	12.1
177.05412	5.0
177.09100	3.1
177.12634	12.9
177.13947	1.4
179.10606	4.1
181.12228	6.0
187.11159	16.8
190.02625	1.9
193.12282	2.5
205.04897	2.4
205.08774	2.7
205.12077	26.3
206.15419	4.9
223.04155	3.4
223.06024	15.6
223.09549	3.8
223.13120	43.4
223.18047	6.1
223.21747	2.8
224.09047	2.5
224.12526	1.6
225.04213	10.9
227.02238	2.3
234.52165	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	223.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51142	2.1
52.86021	1.9
53.03923	5.2
55.01836	6.6
55.05504	16.9
56.05009	5.0
56.96541	4.6
57.03429	50.4
57.07038	6.0
58.06566	3.1
59.04956	9.1
59.05217	1.9
60.04491	2.9
61.02890	9.5
61.84446	2.0
65.03931	2.5
67.02980	12.0
67.05498	18.2
69.03419	67.4
69.03778	2.2
69.07054	15.1
70.06568	26.4
71.01307	8.6
71.04942	9.5
71.50932	2.8
72.08144	31.6
73.02906	100.0
73.06176	3.2
73.06536	34.4
79.05487	22.2
81.03413	10.3
81.06606	2.9
81.07043	43.0
82.06533	2.2
83.04964	13.2
83.08556	5.0
84.07719	2.4
84.08129	26.8
85.02891	67.3
85.06520	3.3
86.09676	14.0
87.04442	5.0
88.02184	3.9
89.05986	3.0
91.05470	22.5
93.06502	2.5
93.07031	40.5
94.07249	1.9
95.01275	6.9
95.04955	18.4
95.05994	2.4
95.08581	16.4
97.02875	74.1
97.06516	15.7
99.04426	5.7
99.82732	2.3
100.07549	4.0
101.05968	9.3
103.03879	6.7
103.05418	5.4
105.06425	1.9
105.07021	26.9
107.02406	20.4
107.04933	29.4
107.08573	16.6
109.02821	6.7
109.06448	9.0
109.10131	11.4
110.07114	3.5
110.09631	7.0
111.04404	4.4
111.08047	5.9
113.02333	16.4
115.03186	3.7
115.03913	50.8
115.05415	1.9
116.07046	3.1
116.98611	3.5
117.06967	7.3
119.04882	5.9
119.08559	24.0
120.07389	2.1
120.08094	27.3
121.02783	4.5
121.06473	30.1
121.10121	23.6
123.04392	14.2
123.07999	6.3
123.11689	4.2
125.02314	2.6
125.05861	3.7
125.09566	2.9
127.03841	9.0
129.10229	11.3
130.08557	2.8
131.04901	3.1
131.08487	7.6
132.08003	5.9
133.04982	11.2
133.06442	4.1
133.10112	5.3
134.01820	2.6
134.03491	27.1
135.04341	3.1
135.07970	8.8
135.11635	10.8
136.07532	10.8
137.05994	10.2
137.09554	5.2
139.07448	7.6
139.11066	2.7
144.09259	3.8
145.06384	6.9
145.10080	13.8
147.04362	3.2
147.07967	5.3
149.02327	28.9
149.05951	65.4
149.09538	2.8
149.13217	5.0
151.07507	3.1
152.10695	3.8
153.05330	2.9
154.12173	2.7
154.58246	2.3
155.03282	2.2
159.07924	7.8
159.10498	2.2
159.11667	26.4
160.06299	2.5
160.90445	2.1
161.09612	2.9
162.01274	7.2
162.03035	3.5
163.03796	7.2
163.07446	6.7
163.11142	15.8
165.08990	4.8
166.08566	5.4
167.07021	35.7
169.08591	16.4
172.08624	3.3
177.04012	2.7
177.05373	5.6
177.08925	4.7
177.10307	2.4
177.12724	12.3
178.08554	3.9
181.08450	2.3
187.11142	10.3
190.00755	4.5
195.05101	61.9
196.49780	2.5
205.04959	3.6
205.12193	32.9
206.11752	22.0
208.01810	4.1
223.04408	93.0
223.09357	3.1
223.10658	10.6
223.13219	20.5
223.18066	15.5
224.09137	2.3
225.04253	31.6
226.68904	2.2
227.02118	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	223.096
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.4
53.03920	0.3
55.01834	0.5
55.05494	1.0
57.03431	0.5
57.07058	0.4
67.05483	1.2
69.03412	0.9
69.07044	1.3
71.04974	0.6
71.55593	0.5
72.08133	0.5
77.03905	0.5
79.05479	1.4
81.03394	0.4
81.07056	1.8
83.04960	1.3
83.08591	0.8
84.08123	0.6
85.02895	0.4
85.06561	0.3
91.05463	1.1
93.07039	2.9
95.04962	1.7
95.08593	1.9
97.02886	0.5
97.06502	1.0
103.05446	31.1
105.07014	1.7
107.04939	0.8
107.08581	1.8
108.04424	0.3
109.06485	0.4
109.10138	0.8
111.08076	0.7
116.64265	0.3
117.06985	0.5
119.08559	1.7
121.02835	0.3
121.06482	1.2
121.10100	2.4
123.08069	1.0
123.11656	0.7
125.05987	0.5
125.09579	0.4
128.04662	0.3
131.04903	100.0
132.05220	1.3
133.10146	0.6
135.08046	0.9
135.11682	1.1
137.05952	0.7
137.09579	1.2
139.07512	0.5
144.59851	0.4
145.10104	1.2
147.08035	0.5
149.02286	3.7
149.05945	0.6
149.09605	0.5
152.10716	0.4
153.05685	0.3
159.11694	1.3
162.03094	0.5
163.11179	1.7
165.09114	0.9
166.15892	1.2
167.07030	0.7
177.05492	0.6
177.09125	0.3
177.12691	1.5
178.09500	0.4
179.09625	0.7
181.12201	0.6
187.11209	0.4
187.14835	1.0
190.02428	0.5
205.08565	0.8
205.12222	2.6
205.15714	0.5
223.04048	0.8
223.05824	2.6
223.07903	0.5
223.09581	0.8
223.11424	0.5
223.13277	2.3
223.16931	1.2
225.04222	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0959
Annotation	Monoisobutyl phthalate
Peak:m/z	Relative Intensity
55.01855	0.2
55.05498	0.3
57.07064	7.4
59.04987	0.2
61.52306	0.1
65.03925	1.5
65.50852	0.1
66.61219	0.2
67.05473	0.6
68.41508	0.2
69.03411	0.4
69.07030	0.4
70.06569	0.2
70.11459	0.7
75.30669	0.1
76.23240	0.1
79.05479	0.7
81.03400	0.2
81.07031	0.7
83.04980	0.3
85.02898	0.3
91.05467	0.4
91.08682	0.2
93.03376	0.6
93.07025	1.0
95.04935	0.5
95.08580	0.7
97.02849	0.3
97.06493	0.4
98.20856	0.2
104.95068	0.1
105.07011	0.4
107.04954	0.2
107.08597	0.9
109.06499	0.2
109.10132	0.4
111.04459	0.5
118.86755	0.2
119.08564	0.5
121.02850	6.0
121.03931	0.9
121.06516	0.4
121.10085	0.6
123.08124	0.3
125.05965	0.2
125.09621	0.3
131.08542	0.3
133.10135	0.2
135.08032	0.4
135.11681	0.3
137.09576	0.4
139.07506	0.4
145.10114	0.4
149.02310	100.0
149.13214	0.4
150.02600	0.8
159.11635	0.3
161.09601	0.2
163.11131	0.7
165.09077	0.3
167.03368	3.1
167.06989	0.3
177.12740	0.3
181.12201	0.3
183.96072	0.2
187.11096	0.2
187.14911	0.2
189.29861	0.2
190.04932	1.0
193.10249	0.2
205.12169	0.8
223.04126	0.2
223.06012	0.5
223.07828	0.2
223.11319	0.3
223.13246	1.1
223.15083	0.3
223.16801	0.3
223.20483	0.2
225.04305	0.4
239.66187	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.9927
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76044	2.2
52.41632	2.1
70.93066	4.8
86.09693	13.5
87.34955	1.9
96.38168	2.0
96.71590	2.4
104.10731	20.0
108.17975	1.9
142.61917	2.5
157.28557	2.0
160.84450	2.4
162.95525	10.3
200.83769	2.1
221.99286	100.0
222.02756	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.1
55.01862	6.0
55.05486	1.5
56.05013	0.9
56.96547	0.7
57.07049	0.6
60.30267	0.4
65.34486	0.5
67.05492	6.8
68.05015	2.9
69.03401	1.3
69.07057	2.6
70.06584	3.3
70.17986	1.7
71.04991	2.6
79.05481	12.7
80.04992	1.7
81.03390	1.0
81.07035	10.9
82.06547	1.4
83.04948	1.2
84.04480	1.2
84.08117	1.0
86.06030	0.6
86.64330	0.5
91.05463	7.0
93.05770	0.6
93.07022	15.6
94.06548	11.3
95.04958	3.6
95.07325	0.6
95.08594	2.7
96.08123	2.3
97.06448	0.5
98.06032	1.4
98.97566	2.5
99.59374	0.5
103.05454	0.7
105.04437	0.5
105.07016	3.0
106.06532	1.9
106.88663	0.5
107.04942	4.8
107.08567	5.6
108.08103	1.5
109.05260	0.9
109.06502	3.6
109.10130	0.9
110.06037	0.7
110.09621	1.0
112.07580	5.1
116.98602	2.1
117.06979	1.4
118.06526	1.7
119.08562	3.9
120.04438	1.1
120.08087	8.9
120.08915	0.7
121.02897	0.5
121.06458	0.8
121.10152	0.6
122.06000	13.0
124.07519	0.6
126.05496	1.3
130.06468	0.6
131.04887	0.8
131.08517	1.1
132.08015	0.9
133.06427	0.5
133.08896	1.0
133.10091	1.2
134.09593	2.2
134.10448	0.5
134.99672	2.4
135.08084	2.6
135.11674	1.5
136.07558	13.3
143.05508	0.5
145.10052	0.5
146.09613	1.3
147.11732	0.7
148.07530	9.7
148.11183	1.0
149.02306	2.1
149.08315	2.1
156.08081	0.6
157.08742	0.9
158.01222	1.4
160.07660	0.7
160.11122	0.7
162.09140	1.2
169.10214	0.5
170.09602	0.7
171.10289	0.6
174.09016	0.7
174.12720	1.8
175.09872	0.8
176.14287	6.7
177.12750	0.5
181.22591	0.5
186.12755	4.2
204.13797	100.0
205.14105	2.1
215.82593	0.6
222.08237	0.9
222.11226	1.4
222.14998	1.5
222.18532	2.2
223.05981	1.1
223.13213	1.0
225.04362	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0917
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
51.04811	0.5
56.05038	1.1
56.96599	0.5
57.03434	0.9
61.01136	0.9
61.02930	0.8
61.36135	0.4
65.98912	0.5
68.49704	0.5
69.03446	0.8
70.06599	1.4
70.73404	0.9
70.73801	1.0
72.08164	0.8
73.02887	0.6
73.13938	0.5
74.02451	1.1
81.03397	0.6
82.02939	1.5
84.08132	1.2
86.09725	0.6
86.75237	0.6
89.19114	0.5
90.05551	0.7
91.05448	0.6
94.06546	3.5
97.02891	0.9
98.97598	0.8
100.02441	0.7
101.02402	0.6
103.05486	0.6
104.05321	1.0
115.05428	0.6
119.01914	1.8
119.04888	0.6
120.08140	0.8
121.01736	0.9
124.00122	0.5
130.06505	60.7
132.04430	37.2
134.05971	0.9
136.07573	1.0
137.02937	0.9
137.05905	0.6
145.03410	0.6
147.09154	1.0
148.07549	3.4
150.05809	1.8
156.06796	0.7
156.97473	2.2
157.06464	0.4
157.07582	25.1
158.05988	76.9
159.09216	0.6
161.02919	0.8
162.05455	0.6
174.98582	2.5
175.08641	100.0
176.07021	2.2
176.09001	0.8
179.03944	1.4
185.07094	0.8
186.05421	2.6
198.00114	0.6
198.02484	0.7
198.98524	0.5
203.08119	5.6
203.11006	0.5
204.06529	5.3
211.45021	0.5
216.99550	1.6
218.07863	0.5
221.07083	1.2
221.09152	21.4
221.11992	1.1
235.03381	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1169
Annotation	Aristelegone B
Peak:m/z	Relative Intensity
53.03923	2.9
53.54681	1.0
55.01865	6.5
55.05505	10.8
56.63228	1.2
57.07075	5.3
59.04981	3.8
64.74596	1.0
65.03915	2.6
67.05495	17.8
68.99778	1.4
69.03078	1.7
69.03419	22.1
69.07063	6.5
70.06579	1.0
70.76952	1.3
70.77284	3.1
71.04967	5.2
72.08138	1.6
79.05073	1.4
79.05485	16.8
81.03387	3.4
81.06595	1.5
81.07046	32.9
83.04968	50.2
83.08591	1.9
84.08146	1.8
85.02861	4.1
85.06528	7.0
86.09684	1.6
89.05997	3.0
91.05465	29.0
93.03391	1.1
93.07027	28.9
95.01313	29.5
95.04372	2.4
95.04951	39.9
95.08580	8.2
97.02857	3.3
97.06514	2.8
99.04422	3.0
103.05441	2.4
105.07010	44.8
107.04936	10.9
107.08583	19.5
109.06502	33.8
109.10110	5.9
111.04404	6.3
111.08074	6.4
113.02328	1.5
113.05240	2.0
113.05994	31.5
115.05415	4.5
117.06995	9.6
119.04910	10.6
119.08568	36.0
121.06475	18.1
121.10097	5.0
121.36496	1.1
122.07233	1.7
123.04408	4.4
123.07201	2.1
123.08050	31.2
123.08946	1.8
123.11727	2.2
125.05989	2.3
125.09589	1.4
128.06149	2.8
129.06981	4.9
129.11571	1.1
131.04936	1.5
131.08534	7.5
133.06488	15.2
133.10110	65.1
135.04436	1.7
135.08040	8.4
135.11667	4.5
136.08809	8.2
137.05960	27.3
137.09583	11.7
138.10393	10.2
141.06995	1.3
142.07767	11.7
143.08624	5.5
144.09296	3.3
145.06439	5.2
145.10020	2.7
146.07208	2.5
147.04402	11.9
147.08026	8.3
147.11665	30.3
149.09604	2.0
149.13138	1.3
151.07507	4.3
151.11079	1.8
153.09099	5.6
157.10118	23.3
159.08038	2.8
159.11630	9.3
160.05133	1.5
160.08806	11.0
161.05965	16.5
161.09589	67.6
163.07495	2.6
165.05452	21.6
165.12657	1.5
173.05998	1.5
175.07552	6.3
175.11156	77.6
177.09137	2.8
177.12694	5.0
179.06992	3.2
179.10672	15.4
185.09583	3.4
188.08273	7.7
193.12181	7.6
203.07002	1.8
203.10637	54.4
206.15926	1.3
221.04448	1.7
221.08119	6.3
221.11687	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0502
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29104	0.9
55.05519	1.2
56.96561	2.0
57.07062	3.9
60.73130	0.7
61.60641	0.9
63.92353	0.8
67.05478	1.3
67.69669	0.8
69.07060	1.5
69.89082	0.8
70.06769	3.9
72.08134	2.1
73.29204	0.9
77.00887	1.7
81.07036	2.3
83.04981	0.9
83.08609	1.5
85.53744	1.0
88.01537	0.9
93.07044	1.0
95.01945	1.3
95.04934	0.9
95.08600	1.6
98.97569	2.7
100.02480	1.7
101.00872	9.8
103.00628	0.8
105.06978	1.3
107.08535	1.4
109.10134	1.6
111.08064	2.1
116.98591	2.0
118.03471	2.1
119.01898	100.0
119.08557	1.7
120.01987	2.6
121.01622	8.9
121.06467	1.2
121.10162	1.0
123.11677	1.1
127.00890	1.7
129.04076	0.8
133.10114	0.9
134.99660	2.5
135.03162	4.1
135.08018	1.1
136.04517	1.1
137.02931	51.7
137.09639	1.3
139.00909	5.2
139.02612	2.0
139.50999	2.2
142.03487	4.3
143.01871	2.1
145.01619	1.6
148.01376	8.8
148.51465	2.7
149.04762	1.6
150.51695	7.7
151.01740	3.2
153.09111	0.9
154.03468	1.0
156.97380	2.0
159.52205	6.8
160.02286	1.6
160.04572	1.3
161.02933	35.4
161.04346	1.7
161.09576	1.0
163.02698	3.4
173.04695	5.0
174.98456	4.2
175.02751	1.9
175.04504	1.1
175.11221	0.9
175.14844	1.0
177.00937	1.9
178.01093	0.9
179.00685	3.7
179.03981	74.8
179.99109	0.9
184.04575	0.9
186.50940	2.1
187.01065	1.5
191.05742	4.7
193.03751	1.2
195.51422	9.9
196.01500	3.4
198.02490	1.5
198.04283	2.5
198.06151	3.6
202.05583	1.9
203.00775	1.1
203.04034	1.5
204.51961	0.9
207.02252	1.2
216.07152	2.6
216.99554	2.4
221.01700	12.4
221.04904	2.2
221.06763	21.6
221.11676	1.5
221.15271	3.2
221.18330	1.0
244.30367	1.1
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-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
53.29760	0.6
62.50895	0.6
68.59647	0.6
70.96655	1.7
74.02431	1.3
82.02944	2.3
94.06542	4.6
126.97868	0.6
130.06509	81.5
131.06839	1.0
132.04434	46.0
148.07552	3.6
156.06808	1.2
157.07590	59.8
158.05991	85.2
159.06331	1.5
159.09193	1.0
175.08644	100.0
176.07047	1.8
176.08983	0.7
177.73483	0.6
185.07094	2.4
186.05525	2.9
203.08131	40.1
204.06497	4.9
221.07129	1.2
221.09189	19.2
243.37302	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1176
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
55.01859	1.0
55.05500	1.4
57.07061	5.5
59.04993	4.7
60.04520	0.6
67.05491	4.5
67.08294	0.6
69.07066	4.3
70.02934	5.6
70.82893	0.5
71.01957	1.4
72.04502	14.5
73.02903	2.7
73.06529	0.6
74.02426	1.5
82.26740	0.7
83.04953	0.7
85.06525	11.1
86.09673	1.3
87.04437	0.7
87.08104	1.3
90.05538	100.0
95.04943	6.7
96.08064	1.0
98.02398	15.2
100.03961	2.5
103.07555	7.6
112.07559	0.6
113.05982	3.4
116.03434	13.7
124.07564	17.2
131.07042	1.0
136.63039	0.7
142.08621	7.7
143.27777	0.6
153.39697	0.6
156.10205	0.9
158.11777	2.2
160.09686	2.1
166.08611	2.6
168.05128	0.6
174.11230	2.4
184.09659	23.7
202.10707	34.4
203.10918	0.6
220.11758	52.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.169
Annotation	Fabianine
Peak:m/z	Relative Intensity
55.01834	0.3
55.05490	0.5
57.07041	0.6
58.06569	0.4
65.39659	0.2
67.05455	0.5
69.07037	0.5
69.54628	1.0
69.55047	0.8
71.04971	0.3
72.08132	0.3
79.05460	0.4
81.07037	0.6
82.02299	0.2
84.08122	1.2
85.08470	0.3
90.05516	0.7
91.05445	0.7
92.05793	0.4
93.07008	0.3
95.04939	0.4
95.08582	0.4
96.49323	0.2
98.09680	0.4
100.07594	1.6
101.07923	0.5
105.06998	1.1
106.07337	0.3
107.04884	0.4
107.08498	0.5
112.11182	0.4
115.05421	0.3
116.05718	0.3
117.06957	0.9
118.06513	7.0
119.07253	0.3
119.08531	0.7
120.08077	0.3
120.08910	0.3
121.06441	0.4
121.10085	0.7
122.10445	0.7
123.11659	0.3
125.05924	0.3
126.06267	0.5
129.06912	0.5
130.07288	1.0
131.08546	0.3
132.08017	2.0
132.08882	1.0
133.06433	0.4
133.08813	0.8
133.10048	0.5
134.09558	0.5
134.10455	0.3
135.08005	0.4
142.07294	0.9
145.10123	0.4
146.09558	1.7
146.10486	0.2
147.04350	0.3
147.07736	0.2
149.02252	0.4
158.06848	0.4
159.07629	0.4
160.08354	0.8
160.11118	0.4
161.05869	0.7
161.09572	0.3
161.11926	0.3
161.13139	0.5
162.06694	1.0
162.09087	3.8
163.03833	0.3
163.07439	0.3
163.09843	0.3
170.06888	0.3
174.06673	0.4
175.07181	2.2
175.14780	0.3
176.10719	3.4
176.14302	22.8
177.09073	16.8
177.11455	1.4
177.12717	0.5
177.14622	0.4
187.07024	0.5
189.08946	0.4
190.09459	2.9
190.12169	1.7
191.12984	0.3
192.06595	0.3
202.09325	1.0
202.15898	0.5
203.10582	0.5
204.14633	1.2
205.15854	3.5
220.10452	4.0
220.16896	100.0
221.07971	1.0
221.11580	0.3
221.17290	1.8
239.14276	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1011
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.01850	0.6
55.05484	1.1
57.03408	0.7
57.07464	0.6
66.92774	0.7
67.05475	1.0
69.07053	1.4
69.44217	2.0
69.44646	2.8
71.81525	0.6
72.08147	0.8
81.07024	1.8
84.08134	1.5
86.66734	0.6
88.21188	0.5
91.05459	7.1
93.07010	1.5
94.53070	0.7
95.08563	1.5
100.07573	1.6
103.05434	2.0
105.07011	3.5
107.08553	2.3
109.10149	0.7
112.11178	0.6
115.05409	4.7
116.06186	2.2
117.07009	2.8
119.08531	2.4
120.08076	0.9
121.10085	2.2
128.06184	6.4
129.06985	26.3
130.07765	2.0
131.04892	4.4
131.08537	26.6
133.10077	2.0
135.08018	1.1
135.11613	1.0
137.05962	2.9
141.06952	19.8
143.04916	1.5
143.08534	2.1
144.05652	3.2
145.06445	6.2
145.10101	2.7
146.07257	3.8
148.05167	1.1
157.06450	13.0
157.07375	0.5
158.07248	13.9
159.03008	0.6
159.04355	2.6
159.08025	16.5
159.11652	1.9
160.05222	3.3
161.05896	0.9
161.09573	2.7
161.13187	1.6
163.03734	0.6
163.07535	1.9
168.05624	1.2
169.06438	10.5
169.07762	0.6
170.07211	5.0
171.04332	0.9
173.05986	3.6
173.09615	1.4
173.13217	1.2
174.06725	51.0
175.07466	9.8
175.14716	0.8
177.09140	0.6
180.76212	0.7
185.05949	0.8
186.06712	12.6
187.07446	1.5
188.08293	2.7
189.09068	72.6
191.06963	0.8
191.10658	5.9
201.05347	1.0
201.09052	26.6
201.16327	1.7
203.14261	4.6
219.10112	100.0
219.13696	3.0
219.17371	20.8
220.10439	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	219.1012
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
54.06484	0.5
57.03437	0.8
59.88499	0.5
67.05493	1.5
70.68485	1.7
91.05453	6.8
95.08567	0.5
103.05457	1.3
105.07027	1.0
112.67356	0.5
115.05422	6.0
116.06223	1.9
117.07023	2.2
128.06184	6.2
129.06982	28.3
130.07739	2.2
131.04912	4.5
131.08543	26.0
132.08894	0.7
137.05962	2.4
141.06972	23.8
143.04916	1.3
143.08534	1.7
144.05676	4.8
145.06450	5.1
146.07266	3.5
148.05214	0.6
157.06458	15.9
158.07251	13.7
159.04404	2.1
159.08034	20.1
160.05153	3.2
161.05989	1.1
161.09570	2.1
163.07491	1.6
168.05576	0.6
169.06445	10.0
169.07651	1.1
170.07243	5.0
171.07982	0.9
173.05977	3.1
173.09598	0.8
174.06740	53.5
175.07523	8.6
176.04539	0.7
186.06729	13.4
187.07484	1.0
188.08282	2.2
189.09074	70.1
190.09471	1.2
191.06958	1.2
191.10628	6.6
201.09074	29.4
203.14137	1.0
218.84569	0.6
219.10124	100.0
219.17310	4.1
220.10475	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	219.1011
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
57.03403	1.3
67.71336	0.7
69.65587	3.6
70.71391	0.8
91.05459	4.7
95.88640	0.6
98.21474	1.4
103.05437	1.9
115.05421	5.8
116.06182	2.3
117.07018	1.2
128.06178	5.3
129.06987	25.1
130.07730	2.0
131.04912	3.9
131.08546	23.0
133.09987	0.9
137.05931	2.5
141.06963	24.1
143.04895	1.5
143.08511	0.9
144.05702	3.8
145.06474	3.9
146.07239	3.0
152.06171	0.7
155.06015	1.0
157.06456	16.8
158.07246	15.5
159.04395	2.0
159.08020	20.7
160.05173	3.2
161.09589	3.4
163.07538	1.3
168.05704	0.8
169.06444	10.7
169.07715	0.9
170.07251	4.9
171.08022	1.4
173.05943	3.1
173.09538	1.1
174.06734	52.2
175.07492	6.6
183.08026	0.7
186.06714	12.1
187.07507	1.8
188.08307	2.9
189.09070	71.9
190.09433	1.6
191.06908	1.0
191.10614	5.9
201.09067	30.3
203.14268	1.2
219.10115	100.0
219.17368	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	219.101
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	1.1
67.05486	0.8
69.88572	2.9
69.88984	1.6
72.65749	0.7
91.05453	6.1
100.07585	1.0
103.05451	2.1
105.07002	1.2
106.41838	0.7
115.05433	6.5
116.06213	2.0
117.06999	3.3
119.08555	1.1
128.06224	4.8
129.06978	25.3
130.07716	1.7
131.04886	5.3
131.08546	25.9
137.05936	2.8
141.06955	22.2
141.08638	0.8
143.04886	0.9
143.08543	1.9
144.05676	4.1
145.06468	4.5
145.10114	1.2
146.07225	2.9
148.05147	0.8
157.06462	15.6
157.07721	1.2
158.07251	14.3
159.04381	1.6
159.08028	19.2
160.05167	3.3
161.09564	2.9
163.07523	1.6
169.06441	11.8
169.07784	1.0
170.07257	4.0
171.04425	0.9
171.07899	1.2
173.05946	2.8
173.09618	1.1
174.06737	52.4
175.07498	8.9
177.12781	0.8
181.62347	0.8
186.06721	11.2
187.07513	1.3
188.08290	2.7
189.09071	71.6
190.09375	1.3
191.10641	5.2
201.09064	27.9
202.09422	0.8
203.14291	1.0
219.10115	100.0
219.17371	8.4
220.10445	1.8
229.12062	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24713	0.8
53.89552	0.6
55.01869	3.9
55.05492	2.8
56.96560	0.8
57.03423	4.5
57.07065	0.8
59.04986	1.1
60.04517	0.7
61.02914	18.8
67.05492	0.9
69.07047	1.5
69.98831	3.6
70.06583	0.7
71.01337	30.1
72.08128	1.4
73.02911	1.0
73.06537	1.1
75.04465	49.4
77.15850	0.6
79.05486	1.0
81.07020	1.5
83.04920	0.7
84.04511	0.8
84.08138	0.8
84.99252	1.0
85.02886	1.0
85.87940	0.6
86.09688	1.1
87.04449	16.0
89.02370	8.5
90.05524	5.3
91.05465	1.9
95.04940	0.9
95.08611	1.0
97.02840	0.7
98.02377	0.8
98.20844	0.8
98.97567	1.5
101.06010	1.5
103.03924	60.1
103.05406	2.0
105.07020	2.0
107.08602	1.2
115.05426	1.9
116.98622	1.2
117.01778	1.1
117.06998	2.9
119.04924	1.8
119.08517	1.5
120.08055	1.6
121.10125	2.7
131.03378	14.2
131.04337	0.7
131.04910	3.0
133.10129	2.4
134.99663	1.0
145.06465	12.8
145.10034	0.7
146.06010	1.1
147.04369	3.1
147.07941	0.9
149.05963	0.9
155.06021	1.6
156.07336	1.0
157.07498	1.7
159.02858	100.0
161.04420	1.1
161.09518	1.0
161.13234	1.7
173.05951	14.8
174.06664	0.7
175.03874	0.9
175.09639	2.6
184.09630	1.7
187.02353	8.0
191.06987	1.2
201.05388	3.3
202.10759	1.7
203.14267	10.9
219.04805	14.2
219.06958	3.8
219.09683	0.9
219.11494	1.4
219.17395	40.4
220.11794	2.3
234.69214	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24713	0.8
53.89552	0.6
55.01869	3.9
55.05492	2.8
56.96560	0.8
57.03423	4.5
57.07065	0.8
59.04986	1.1
60.04517	0.7
61.02914	18.8
67.05492	0.9
69.07047	1.5
69.98831	3.6
70.06583	0.7
71.01337	30.1
72.08128	1.4
73.02911	1.0
73.06537	1.1
75.04465	49.4
77.15850	0.6
79.05486	1.0
81.07020	1.5
83.04920	0.7
84.04511	0.8
84.08138	0.8
84.99252	1.0
85.02886	1.0
85.87940	0.6
86.09688	1.1
87.04449	16.0
89.02370	8.5
90.05524	5.3
91.05465	1.9
95.04940	0.9
95.08611	1.0
97.02840	0.7
98.02377	0.8
98.20844	0.8
98.97567	1.5
101.06010	1.5
103.03924	60.1
103.05406	2.0
105.07020	2.0
107.08602	1.2
115.05426	1.9
116.98622	1.2
117.01778	1.1
117.06998	2.9
119.04924	1.8
119.08517	1.5
120.08055	1.6
121.10125	2.7
131.03378	14.2
131.04337	0.7
131.04910	3.0
133.10129	2.4
134.99663	1.0
145.06465	12.8
145.10034	0.7
146.06010	1.1
147.04369	3.1
147.07941	0.9
149.05963	0.9
155.06021	1.6
156.07336	1.0
157.07498	1.7
159.02858	100.0
161.04420	1.1
161.09518	1.0
161.13234	1.7
173.05951	14.8
174.06664	0.7
175.03874	0.9
175.09639	2.6
184.09630	1.7
187.02353	8.0
191.06987	1.2
201.05388	3.3
202.10759	1.7
203.14267	10.9
219.04805	14.2
219.06958	3.8
219.09683	0.9
219.11494	1.4
219.17395	40.4
220.11794	2.3
234.69214	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70280	4.0
55.05510	8.0
60.04516	24.9
61.02917	10.3
69.03412	5.1
69.36661	9.9
69.37070	28.3
70.06585	15.7
71.01337	7.0
72.08141	49.2
74.06042	21.0
74.07142	4.2
75.04468	4.5
81.07024	4.3
84.04505	7.1
84.08133	80.8
85.02889	6.0
85.08463	4.1
86.09697	100.0
90.05525	4.2
90.09199	5.6
91.33930	3.9
98.06050	15.4
100.02498	7.3
102.05495	4.5
103.03991	4.6
105.64947	3.8
119.01917	17.1
119.08543	4.2
130.04941	5.2
130.08615	20.3
131.03397	5.7
132.10211	19.5
133.03467	7.7
144.99765	4.6
145.32129	3.9
156.10211	12.8
156.13896	5.0
159.02869	8.9
161.02957	7.5
173.12845	15.9
174.14923	6.0
196.00977	6.9
201.09148	3.7
201.12321	6.0
202.10730	8.0
203.12698	3.6
203.14227	22.1
219.02748	9.5
219.07091	12.9
219.13483	22.7
219.14952	5.0
219.17308	95.0
220.11848	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	219.0262
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03994	3.7
63.60329	3.1
70.06563	11.1
70.14690	12.1
70.15088	5.6
72.08142	23.2
84.08133	100.0
86.09692	3.5
90.09174	6.7
94.06559	5.7
106.74744	3.4
130.08623	32.0
156.13814	8.0
170.78217	4.4
174.14893	4.8
219.02615	19.6
219.07155	3.7
219.14235	7.4
219.16997	60.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	5.2
55.05500	89.6
55.42554	1.5
57.03422	4.8
57.07064	27.4
58.06588	3.1
58.07293	1.7
59.04993	3.8
61.08884	1.6
65.03920	1.9
67.05492	18.6
69.03419	4.4
69.07054	64.4
70.06579	4.7
71.04984	11.0
71.08615	13.9
72.04507	4.3
72.08139	5.4
73.06532	3.4
75.92081	1.5
79.05471	16.0
81.07039	53.9
83.04965	38.7
83.08601	90.1
84.08127	5.8
85.06522	14.1
85.10161	5.3
86.06056	6.3
86.09684	2.0
87.04458	3.6
89.02370	2.7
89.06013	13.2
91.05476	4.9
93.07028	21.4
95.08586	37.4
97.06511	30.7
97.10143	51.0
98.09738	1.9
98.20782	3.8
98.98438	2.7
99.04416	1.8
99.08070	2.9
100.07594	14.6
101.06001	19.8
105.07022	2.9
106.44802	1.7
107.08567	40.2
109.10139	13.4
110.09599	2.2
111.04422	56.4
111.08052	23.6
111.11729	4.3
113.05986	5.7
114.09136	8.0
115.07559	4.2
115.11153	2.1
119.08563	2.2
121.00774	2.4
121.10113	28.2
123.11656	11.5
125.09605	21.6
126.09156	10.6
127.07516	8.1
128.10727	4.3
129.05444	19.0
129.06950	2.0
129.09097	5.2
130.96330	1.6
131.08534	1.8
135.11644	8.7
137.05930	1.8
137.13223	3.6
139.01807	6.9
139.11133	7.7
139.14783	5.0
142.12283	2.1
143.10687	2.3
144.02313	3.2
155.06993	78.1
156.17473	2.0
162.03406	5.8
163.14790	100.0
164.15157	3.7
164.82838	1.6
173.08061	65.3
181.15833	57.6
198.11217	12.6
198.18475	33.6
198.20175	2.4
199.09602	8.0
199.16888	7.2
216.04216	2.4
216.10336	3.5
216.12262	23.7
216.17870	2.0
216.19637	14.8
217.04871	2.0
217.10643	64.4
217.15747	2.8
217.19598	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	215.1387
Annotation	L-valyl-L-proline
Peak:m/z	Relative Intensity
55.05494	3.9
56.05029	3.3
56.96554	0.7
57.03403	1.3
57.07059	4.3
58.06568	1.6
60.77550	0.5
62.83807	0.5
67.05478	0.9
68.04999	1.0
69.07035	1.7
70.06579	19.9
70.80051	1.2
70.95830	1.3
71.04964	0.7
72.04473	0.5
72.08141	28.4
72.93769	3.1
73.08462	2.0
74.06065	6.7
74.09679	1.1
76.02197	0.7
76.04021	0.5
78.34942	0.5
81.07011	0.6
82.06551	2.2
84.04465	1.3
84.08128	10.1
85.06506	1.9
85.07637	0.5
86.06063	2.3
86.09686	2.9
89.06577	0.5
90.94816	3.3
91.05458	0.6
95.01308	0.9
95.04940	0.8
95.08588	0.8
96.04483	3.5
96.08102	0.7
97.02847	0.9
97.06578	0.5
98.09672	2.3
98.97552	1.1
98.98429	1.7
99.10014	2.3
100.07597	3.2
101.07933	1.3
102.09137	1.3
103.08689	1.5
105.07004	0.7
107.08542	0.7
108.95850	0.9
110.06036	0.5
111.04429	0.4
112.07569	0.7
112.11253	0.6
113.07094	4.0
114.05510	3.9
114.09149	2.3
114.94659	0.5
115.09465	1.0
116.06354	1.4
116.07066	37.6
117.57803	1.1
119.04908	0.5
124.11217	0.6
125.10725	4.5
126.09124	1.0
127.08664	0.6
128.06171	3.4
128.07050	2.9
129.06978	3.6
129.10204	0.7
130.08574	0.7
131.08109	4.1
132.95818	13.5
133.96089	0.5
139.01558	2.7
140.10672	21.5
141.06834	0.6
142.08600	5.3
143.08928	3.2
144.05617	1.0
145.06435	1.2
149.96062	2.0
150.96861	30.5
151.07532	0.7
151.12242	0.7
151.97011	0.9
153.13855	2.7
154.93979	0.7
155.05991	0.6
155.97375	1.1
156.10143	1.1
159.08023	3.6
162.03401	1.0
167.97122	2.3
168.97913	1.6
169.06445	0.6
169.13316	9.2
170.06934	0.5
170.08192	4.5
171.04384	0.7
172.05220	2.8
172.15192	0.8
172.95137	0.7
173.05855	0.6
173.09233	0.7
173.98447	1.8
180.02924	0.9
180.04674	0.6
183.64745	0.5
187.07484	7.9
187.14436	0.6
191.97118	10.9
191.99202	0.6
191.99487	0.5
192.97432	0.6
197.12921	0.7
198.07628	1.4
198.11174	0.9
200.04642	2.8
209.98189	7.0
210.41394	0.5
214.98718	0.5
215.07074	8.2
215.09328	2.2
215.13863	100.0
216.03987	0.6
216.08679	0.6
216.12245	2.2
216.14252	1.5
238.64447	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
55.01862	0.7
55.05510	2.1
56.05027	3.4
56.96551	2.7
57.03417	0.7
57.07072	1.0
58.06593	2.7
58.99575	1.4
59.47827	0.4
67.05501	1.2
68.05022	0.4
68.44543	0.3
69.03412	3.1
69.07056	1.7
70.06580	14.3
70.95847	0.7
71.04993	0.7
71.29285	0.3
71.51847	0.7
72.04509	2.8
72.08144	100.0
72.93777	3.5
73.02905	0.7
73.08476	0.6
74.06062	1.2
74.09688	0.4
76.02216	0.9
79.05486	0.9
80.05022	0.6
81.07053	1.0
82.06570	3.5
83.04955	0.7
83.06104	0.5
84.04453	1.9
84.08129	8.5
85.02893	0.6
85.06541	0.7
86.06075	0.6
86.09708	2.7
86.99040	1.0
88.02212	0.3
88.03972	0.6
90.94808	3.7
91.05484	0.9
93.07024	0.6
94.06542	0.5
95.01332	0.4
95.04952	1.7
95.06056	0.8
95.08621	0.6
96.04485	0.7
96.08127	1.3
97.02878	0.6
97.06528	0.6
98.06052	0.9
98.09676	63.5
98.97563	1.7
98.98457	1.1
99.02695	0.4
99.04423	0.5
99.09278	0.7
99.09967	0.8
100.02181	0.7
100.07599	59.8
100.11261	1.0
105.00111	0.4
105.07061	0.4
107.08624	0.5
108.08111	0.4
108.95855	1.3
109.02831	0.4
109.06487	0.5
110.06037	5.5
110.07173	1.2
110.09664	2.6
112.07593	1.5
112.11216	0.5
113.07101	0.6
114.05537	0.5
114.09145	17.9
116.07074	18.5
116.98610	0.9
119.01939	0.4
122.03117	0.5
122.06033	0.7
123.08047	0.4
124.08706	1.0
124.11252	0.5
125.10796	0.5
126.09138	4.8
127.08672	1.7
128.06223	1.0
128.10698	1.0
128.98647	0.4
129.06944	0.7
132.95810	8.6
133.10039	0.5
134.99660	1.1
137.05937	0.5
139.01535	1.6
140.05261	0.9
140.07072	1.3
140.10669	2.5
140.99979	1.0
141.05496	0.5
142.03218	0.8
142.08611	43.4
143.09018	0.7
143.11763	6.8
144.05673	0.5
145.06480	0.8
145.13351	0.9
146.99605	0.6
149.96114	2.9
150.09155	0.6
150.96861	26.2
152.07082	0.6
154.08612	0.6
155.07028	0.5
155.08234	0.8
155.15390	0.8
155.97453	0.4
156.10172	1.0
157.13336	2.1
158.02737	1.4
159.08035	0.6
167.97130	4.2
168.04781	5.1
168.06505	1.0
168.07762	0.7
168.10217	1.4
168.13870	0.7
168.97926	1.5
169.06325	0.5
169.13370	2.8
170.07120	0.7
170.11665	2.0
171.14885	14.9
172.97650	0.6
173.98492	1.3
177.00691	0.5
178.08545	0.5
180.04675	0.6
186.10257	0.5
187.07491	2.4
187.14264	0.7
190.96263	0.5
190.98657	0.7
191.97113	8.8
193.04309	0.5
196.05994	0.8
196.09773	1.1
197.09219	1.1
197.16446	4.6
200.04750	0.6
209.98174	6.3
214.05272	14.0
214.08708	1.6
214.10748	5.9
214.14278	4.3
214.19118	14.5
214.98656	0.6
215.05260	0.6
215.07034	2.7
215.09180	1.0
215.13878	15.6
215.16005	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.0595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	2.7
55.05487	3.6
56.05028	5.4
56.96562	32.0
57.03428	13.1
58.06601	4.0
60.32064	2.8
61.02925	4.4
67.05480	4.1
69.03414	8.8
70.06584	51.2
71.04991	4.8
71.31122	2.4
72.08149	62.9
72.93769	8.1
73.02917	24.8
77.00931	4.0
81.04483	3.7
82.06567	8.3
83.06105	3.2
84.04487	8.2
84.07630	5.2
84.08134	100.0
85.02882	6.1
85.06509	3.1
85.08461	9.4
86.09695	12.5
88.03968	4.5
90.94823	13.5
91.05485	3.3
95.04961	4.8
95.06084	6.8
97.02867	4.8
98.09670	38.3
98.20736	8.5
98.97575	17.6
100.07604	38.2
101.00873	16.3
102.97025	2.8
103.47367	3.0
107.04937	6.7
110.06014	3.5
110.07157	8.6
111.09204	4.3
112.07568	8.8
113.96366	6.2
114.05492	3.2
114.09166	3.0
116.07061	7.1
116.98609	11.3
119.00205	3.5
119.01886	35.5
119.02602	3.9
121.01697	4.3
124.07589	2.9
127.02442	5.1
130.08646	3.1
131.01848	5.4
131.97458	4.8
132.95831	12.9
133.01686	3.5
133.03467	8.6
134.06009	2.5
134.99632	7.7
136.06146	2.7
136.07547	7.0
137.02931	8.5
137.05962	3.4
141.00032	3.0
142.03596	2.9
142.08633	8.5
143.11794	5.9
145.01662	4.2
145.03452	60.7
148.03865	8.8
149.01158	3.1
149.96017	4.4
150.96880	33.5
154.08649	3.7
154.94142	2.9
155.01906	3.4
155.06088	2.8
155.08078	3.9
156.05051	10.6
158.02673	4.3
161.01260	3.2
161.02917	5.7
162.99072	3.3
163.04533	16.3
167.97151	4.6
168.04999	4.6
168.07741	4.7
168.10114	6.4
168.11386	4.5
169.13388	5.2
171.14911	9.1
172.95239	5.9
173.02936	7.7
173.06569	5.0
177.00629	3.0
178.08656	9.5
183.01796	3.5
183.54308	3.3
185.94020	2.9
186.06444	7.1
187.04460	3.7
190.07385	3.4
190.96266	5.8
190.98645	7.2
191.02295	5.3
191.03973	14.3
191.07591	7.5
191.97160	13.0
196.09650	11.1
197.12799	3.2
197.16486	7.3
205.05553	6.7
208.99658	3.5
209.98210	6.3
211.52226	4.2
214.05936	64.1
214.10445	20.9
214.19176	12.3
215.13817	26.6
219.01668	3.6
232.08478	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	213.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	2.6
55.05500	8.5
57.07062	2.6
61.58858	0.7
65.37584	0.6
67.05495	4.2
69.03412	1.2
69.07056	15.2
70.45827	0.6
70.46166	2.5
71.04979	4.2
71.05298	0.7
71.08598	0.6
72.08128	1.9
74.67484	0.7
79.05473	5.4
81.07041	17.3
83.08602	9.9
85.06531	4.1
91.05470	2.3
93.07024	10.9
95.08588	36.0
97.06509	1.1
97.10159	7.9
98.09676	0.9
99.04424	1.1
99.08074	34.4
100.07589	1.4
105.06998	2.5
107.04923	2.6
107.08570	31.8
109.10132	9.2
111.07349	1.3
111.08061	15.9
111.11673	0.9
113.09623	2.6
115.11192	0.7
119.08514	1.1
121.10122	56.4
123.11658	2.0
125.09599	5.9
125.13197	1.1
130.40747	0.6
135.11656	10.7
137.13232	7.5
139.11168	1.5
149.13254	4.6
151.14732	1.1
163.07538	1.1
167.07053	5.1
177.16351	100.0
178.16705	2.2
185.09981	0.9
195.06441	1.6
195.10149	1.3
195.17406	16.4
196.16895	0.9
213.18401	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	213.1844
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
52.61428	0.5
53.03918	0.6
55.01846	2.0
55.05500	8.3
57.07050	2.6
57.52388	0.6
61.85288	0.5
66.33329	0.6
67.05490	4.0
69.03416	1.8
69.07052	14.8
69.65221	3.6
70.56383	0.5
71.04977	3.8
71.08608	1.2
79.05473	4.4
81.07039	16.6
83.04945	1.0
83.08600	9.0
84.08112	1.3
85.06522	5.3
86.89437	0.5
90.34301	0.6
91.05431	1.4
93.07021	13.0
95.08586	33.6
97.10163	7.0
98.09641	0.6
98.20547	0.7
99.08070	31.2
100.07612	0.6
105.07037	3.2
107.04935	3.0
107.08571	31.2
109.10124	8.4
111.08056	14.9
111.11640	0.8
113.09635	2.4
118.33923	0.5
119.08524	1.0
121.10118	57.0
123.08047	1.2
123.11669	1.7
124.05247	0.6
125.09581	5.7
125.13190	0.7
127.03873	0.8
133.10014	0.8
135.08101	0.8
135.11661	9.2
137.13222	8.8
139.11116	2.1
149.13219	5.1
163.07494	1.3
167.07063	5.0
177.16347	100.0
178.16679	2.1
179.10393	0.6
185.09978	0.9
195.06438	1.5
195.10008	1.1
195.17409	17.6
213.09328	0.8
213.16417	0.7
213.18433	16.7
234.40700	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.6
55.01861	2.4
55.05498	9.1
57.03439	0.5
57.07062	2.3
58.06599	0.4
59.05011	0.6
60.57079	0.3
67.05492	4.1
69.03419	1.7
69.07052	16.8
70.06579	1.0
71.04980	4.1
71.08620	1.0
71.21110	0.5
72.04510	0.6
72.08137	1.8
72.93786	0.3
77.03919	0.4
78.04670	0.4
79.05479	6.1
81.03407	0.7
81.07038	16.4
83.04958	0.7
83.08597	8.8
84.08136	2.0
84.08928	0.4
85.02883	0.3
85.06525	5.1
86.09683	1.8
88.07625	0.9
90.94847	0.4
91.05455	2.6
93.07025	13.9
95.04969	0.8
95.08585	34.1
96.08885	0.4
97.06519	1.1
97.10144	7.8
98.09672	0.9
98.97533	0.3
99.04442	0.6
99.08070	32.8
100.07591	2.6
103.05440	0.9
105.07002	3.2
107.04937	7.3
107.08569	35.1
108.08878	0.4
109.02849	0.7
109.06502	0.7
109.10126	9.2
110.09702	0.3
111.04460	0.3
111.08056	15.7
111.11687	1.2
112.11207	0.7
113.09609	2.7
115.05459	0.5
117.07003	0.5
119.04916	0.3
119.08545	1.3
120.05682	0.5
121.10116	54.9
122.10426	0.4
123.04408	0.8
123.08060	0.9
123.11699	1.9
124.05235	0.5
124.07608	0.7
125.05956	0.5
125.09605	5.9
125.13216	0.7
127.03872	1.0
127.07553	0.3
133.10089	0.7
135.04407	0.4
135.08025	1.8
135.11659	11.9
137.13222	8.8
139.07526	0.3
139.11139	2.0
142.07745	0.4
143.08577	0.5
149.13239	5.2
151.03879	0.7
153.05417	0.3
153.06877	0.3
153.12648	0.4
154.06271	0.4
154.42447	0.3
157.10095	0.8
159.11757	0.3
163.07512	3.2
165.05426	0.4
167.07010	12.8
171.11708	0.7
177.16345	100.0
178.16687	1.7
180.07672	0.4
185.07182	0.6
185.09816	1.5
185.13199	0.3
185.16370	0.4
195.06490	4.6
195.10149	2.6
195.13683	0.5
195.17403	16.2
213.06975	0.5
213.09299	1.7
213.11140	0.5
213.12936	0.4
213.16260	2.4
213.18391	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	213.1844
Annotation	trans-Delta2-11-methyl-Dodecenoic Acid
Peak:m/z	Relative Intensity
55.01853	2.8
55.05502	16.9
57.07055	3.7
67.05491	4.0
69.03423	1.4
69.07053	15.2
69.57643	3.3
69.58069	2.9
70.46001	0.7
71.04971	3.2
72.08143	1.3
79.05479	4.6
81.07043	13.1
82.06568	1.0
83.04971	1.7
83.08604	12.9
84.08118	1.5
85.06512	4.3
91.05458	2.7
91.58102	2.6
93.07024	12.3
95.08591	29.8
97.10139	6.6
98.09708	1.3
99.08076	33.0
100.07589	2.4
100.11237	21.9
105.06992	2.9
107.04961	1.9
107.08578	30.4
109.10126	7.3
111.04417	1.2
111.08066	14.3
113.09614	3.2
117.13842	1.4
119.08626	0.8
121.10124	51.6
123.11681	2.0
125.09616	6.2
126.09129	1.0
127.03884	3.0
135.11673	8.9
137.13217	7.2
139.11174	1.7
141.11450	15.7
141.61617	1.4
149.13222	5.1
154.12245	4.0
155.11238	2.3
167.07013	2.7
177.16353	100.0
178.16768	1.7
182.15385	13.5
195.06503	2.5
195.17404	16.9
199.18053	11.8
204.66579	1.4
209.16470	1.4
210.14941	1.7
213.18127	24.6
213.67976	4.4
217.16772	0.8
225.15854	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	213.1845
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
54.49562	0.6
55.01855	2.5
55.05503	9.6
57.07055	2.1
67.05481	3.0
69.03418	1.2
69.07060	14.8
69.59428	4.1
71.04998	3.6
71.08614	1.6
79.05474	3.2
81.06577	1.4
81.07043	16.5
83.08608	9.3
85.06533	4.7
85.47577	0.7
88.07616	1.9
88.67004	0.7
90.90356	1.1
91.05469	2.0
93.07028	10.5
95.08595	31.9
97.10158	8.8
98.21486	1.3
99.08080	35.3
105.07014	2.0
107.08577	32.8
107.09303	1.6
108.24049	0.7
109.10146	8.7
111.08073	15.5
111.11698	1.0
113.09631	3.0
121.10128	52.3
123.11684	1.6
124.26537	0.7
125.09584	4.8
125.13221	0.7
135.11681	10.2
137.13229	9.6
139.11168	1.8
148.94370	0.7
149.13228	5.2
149.94003	3.2
156.56430	0.7
156.95476	0.8
157.10107	1.0
167.08966	1.6
172.95659	1.1
177.16360	100.0
185.09993	4.6
195.06467	3.7
195.17415	16.3
213.09492	4.5
213.11461	1.1
213.16428	1.6
213.18440	20.4
214.21658	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1481
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
52.67633	1.5
52.73323	1.3
53.03935	4.4
55.01864	5.5
55.05504	21.3
55.67370	1.3
57.03428	9.4
57.07053	5.2
58.06598	4.2
61.44110	1.6
65.03934	2.2
67.05492	77.5
67.46764	1.6
69.03410	3.9
69.07057	30.6
70.06558	1.8
70.66964	1.5
71.01339	2.8
71.04975	9.6
71.08611	1.8
71.51946	2.3
72.08154	5.1
72.93775	2.7
79.05477	34.8
81.03386	3.9
81.07041	100.0
82.07375	2.1
83.04979	11.8
83.08603	22.9
84.08120	10.4
85.02908	3.2
85.06527	6.8
88.07600	10.5
90.32315	1.6
90.94827	4.3
91.05463	22.9
93.07026	63.7
95.04952	7.0
95.08590	32.1
97.06504	13.8
97.10149	2.8
98.09662	5.5
99.04462	2.8
99.08084	4.8
100.07596	15.1
101.06049	2.2
105.07021	11.8
107.04926	4.0
107.08575	33.5
109.06509	3.3
109.10125	5.4
111.08054	8.5
112.11185	2.7
113.06062	2.3
113.09600	3.0
114.05560	2.1
117.07008	12.6
119.08565	6.4
121.06482	2.6
121.10117	23.4
123.04436	2.1
123.08072	2.1
123.11680	5.3
127.03931	2.7
128.06218	2.8
129.06989	4.5
129.13910	2.6
131.08546	12.9
133.10109	14.8
135.08028	4.8
135.11668	18.0
139.11192	3.4
140.10178	1.6
141.07268	5.2
142.07751	4.0
143.08537	8.3
145.10141	1.9
147.11653	1.7
149.13232	51.6
151.03885	4.1
152.04625	2.4
153.09018	1.9
155.08524	4.6
156.09329	1.9
157.10115	10.6
159.11658	23.9
163.07417	1.9
167.07021	6.4
167.08936	9.3
167.14383	1.9
167.97238	2.0
169.10150	2.7
171.08003	1.9
171.11714	8.5
177.12746	12.8
177.16371	4.8
180.09326	2.6
181.04939	1.9
184.09723	2.7
185.07094	6.4
185.09973	25.9
185.13199	2.6
195.06473	38.2
195.11685	4.9
195.13791	16.3
195.17404	1.8
198.10315	2.9
212.73688	1.5
213.06610	3.5
213.09372	23.5
213.12985	12.7
213.16380	18.9
214.16185	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	212.0764
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29726	0.4
55.01862	0.6
55.05515	0.5
56.05025	3.0
56.96557	3.4
57.03433	3.5
61.01134	1.0
61.02922	2.6
65.03950	0.4
69.03419	2.6
70.06586	2.6
70.16345	0.6
70.16745	1.0
70.94528	0.4
71.04978	1.1
72.08141	0.6
73.02904	4.5
80.04991	0.6
81.03413	2.9
83.00738	0.3
83.06109	0.6
83.42351	0.3
84.04487	0.4
84.08131	100.0
85.02894	4.5
85.07896	0.3
85.08437	1.1
87.04447	0.6
88.02207	1.8
90.01781	0.9
91.05485	0.5
97.02887	3.7
98.97565	4.2
99.04456	0.6
100.02483	0.3
101.00856	1.4
109.02856	3.0
110.01247	0.6
110.07154	1.4
110.97529	1.7
111.09196	1.4
112.07589	4.6
112.99081	0.4
113.00837	0.4
115.02425	0.5
116.07092	0.8
116.98595	2.3
119.01878	4.3
119.04858	0.6
120.08123	0.5
121.06506	0.5
125.05963	0.5
127.03896	1.8
128.02330	0.9
128.98543	2.2
129.10329	0.4
131.00198	0.4
131.01872	1.7
133.03439	1.0
134.02654	0.7
134.03630	0.5
134.06000	0.9
134.99646	0.9
136.07581	0.6
137.02870	0.6
137.05930	0.6
140.02277	0.5
140.07037	1.0
143.00139	0.5
143.01801	0.9
144.05128	0.5
145.03450	0.7
145.04964	0.5
146.02303	0.8
146.99648	1.5
147.03105	0.4
147.05090	0.5
147.91652	0.3
149.02910	1.1
149.05992	1.9
152.06030	0.3
152.07039	2.3
153.05470	1.2
155.02837	1.4
157.03473	0.6
158.06653	2.0
158.99680	1.0
159.05122	0.5
160.07568	0.4
161.01331	0.4
161.02884	1.9
163.04532	0.4
165.05919	0.5
166.08600	3.9
166.09764	0.6
169.02415	0.5
170.03358	0.7
170.06621	0.8
170.99657	2.0
171.01257	0.5
173.02863	0.6
176.07664	1.2
177.00726	1.2
178.06331	0.4
182.03250	1.0
184.04619	0.6
184.08176	5.0
184.09709	5.4
185.02945	0.4
188.07700	1.4
188.97003	0.8
189.00716	2.4
189.02328	0.8
189.04239	0.5
189.05925	0.6
191.03957	1.1
194.06583	0.5
194.08118	5.2
195.06566	0.9
200.04407	0.7
201.00752	0.6
201.06123	1.0
202.09256	2.7
206.98221	0.6
207.01726	0.8
212.07674	19.8
212.09274	5.4
212.13875	0.9
213.07901	0.7
213.12381	0.6
219.01788	1.0
221.05013	0.6
230.08708	38.7
231.08961	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1481
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03922	2.5
55.01846	2.8
55.05500	15.3
57.03432	8.5
57.07050	4.0
65.03924	1.3
67.05493	71.8
69.03407	2.1
69.07054	23.4
69.77316	5.3
70.06569	1.2
71.04972	5.8
72.04494	0.9
72.08158	1.4
72.10587	0.8
73.26099	0.9
79.05476	33.4
81.03390	3.0
81.07040	100.0
83.04967	7.2
83.08607	19.3
84.08110	4.2
85.02892	1.1
85.06529	5.4
88.07601	2.9
91.05466	18.9
93.07026	58.0
95.04941	6.4
95.08591	27.1
95.39947	1.2
97.06511	13.2
97.10143	2.6
98.09668	2.0
99.08068	4.0
100.07608	4.6
105.04516	1.1
105.07016	9.9
107.04935	1.7
107.08574	29.9
109.06473	3.4
109.10123	4.0
111.08063	7.6
112.11236	2.7
117.07004	11.7
119.08547	5.0
121.06496	2.4
121.10127	14.3
123.11678	5.0
125.09594	1.9
129.06982	2.0
131.08554	10.7
133.10112	16.5
135.08026	2.6
135.11656	18.2
139.11183	1.3
141.07256	0.9
143.08540	3.1
145.10098	3.3
147.11679	1.4
148.97389	1.2
149.13234	42.1
151.03847	1.5
151.11124	2.5
157.10094	5.4
159.11670	16.4
167.06982	2.6
167.08897	1.9
167.97047	1.3
171.11659	2.7
177.12697	9.7
177.16356	1.9
185.07156	2.0
185.09929	6.6
195.06487	9.6
195.11940	1.5
195.13748	12.6
213.09299	5.3
213.12971	4.6
213.16393	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	213.1118
Annotation	Melazolide A
Peak:m/z	Relative Intensity
53.03915	2.2
55.01851	3.1
55.05503	5.5
57.03410	2.6
58.06562	1.0
61.02908	1.1
66.17049	1.0
67.05499	5.8
68.99762	1.1
69.03401	3.3
69.07045	4.8
69.52608	0.8
69.86094	3.8
70.06572	9.7
71.04966	2.7
72.04458	1.1
72.08140	10.4
72.93735	0.9
79.05479	16.3
81.03378	3.5
81.07036	10.5
83.04939	3.4
83.08595	1.7
83.59296	0.9
84.08121	6.6
85.02854	2.7
85.06490	1.3
85.08441	1.2
86.09650	3.2
88.07633	4.6
90.94798	1.8
91.03936	1.0
91.05463	32.2
93.07023	29.1
94.06524	1.3
95.04946	5.1
95.08598	5.4
96.75666	0.9
97.02819	1.7
97.06483	3.8
97.10094	1.3
98.06028	0.9
98.09635	2.8
99.04459	2.0
100.07596	4.8
103.05402	4.0
105.07013	42.6
106.07304	1.1
107.04933	8.4
107.08572	76.3
109.02849	2.3
109.06515	5.7
109.10139	1.6
110.05957	1.5
110.07103	2.2
111.04381	2.8
111.08034	1.5
112.07556	1.1
112.11195	2.1
115.05438	1.5
116.06170	3.8
116.41473	0.9
117.06976	5.2
119.04906	7.4
119.08559	100.0
120.08823	1.0
121.02810	3.6
121.06496	5.0
121.10122	34.8
121.19235	1.0
122.06008	1.6
123.04379	3.6
123.08068	5.4
123.11675	1.5
125.02274	2.6
125.06004	4.9
125.09576	3.2
127.03841	2.7
129.06961	3.1
130.96260	2.1
131.08539	42.4
133.06444	4.3
133.10133	5.3
135.04366	3.3
135.08003	7.7
135.11618	1.3
136.07523	1.3
136.48129	0.9
137.05937	5.2
137.09538	1.1
138.80539	1.0
139.03818	1.7
140.04633	2.2
140.07005	3.1
141.05388	3.7
141.07156	1.4
141.29068	1.1
142.08597	2.2
143.03329	1.4
147.08015	49.0
147.96503	1.0
148.97351	6.2
149.05943	2.2
149.09596	43.9
151.03867	3.4
151.07518	1.7
151.11078	2.3
152.04610	1.1
153.05428	9.5
153.09018	2.5
154.08598	0.9
155.06960	2.1
157.06435	2.1
159.08006	11.4
163.03854	1.6
163.07433	1.1
165.05363	1.5
165.09088	46.9
167.03287	1.1
167.05855	0.9
167.07045	8.0
167.08925	2.8
167.10587	14.8
167.97073	1.7
177.09073	38.0
177.16313	1.6
181.04846	1.4
182.08040	1.2
184.09706	1.2
185.05739	1.8
185.07204	1.8
185.10007	9.5
189.97488	1.4
195.04732	1.4
195.06500	25.1
195.10133	46.5
195.67673	1.1
196.15215	1.6
196.16925	1.4
204.18878	1.2
207.98616	1.3
213.05399	4.2
213.07234	1.7
213.09302	8.7
213.11136	50.7
213.15862	2.5
213.17905	1.8
214.10663	2.0
219.76147	0.9
222.09277	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1688
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03907	1.5
55.01852	3.2
55.05502	16.5
57.03423	8.0
57.07050	3.9
59.04963	1.3
62.02254	1.1
65.03894	1.6
67.05488	25.8
69.03393	1.4
69.07050	12.9
71.04982	8.6
71.08725	2.3
71.09103	1.3
75.37737	1.2
79.05481	7.6
79.50821	1.0
81.03393	2.0
81.06586	1.5
81.07037	30.3
83.04967	10.4
83.08591	11.9
84.08118	1.1
84.67133	1.0
85.06512	6.4
91.05459	10.5
93.07023	19.0
95.04935	6.6
95.08588	57.8
97.06513	10.1
97.10144	4.2
99.08040	4.7
105.07003	12.3
106.04157	1.3
107.08575	31.8
109.06487	12.9
109.10134	94.4
111.08055	44.5
113.05984	1.8
113.09592	3.7
119.04930	1.2
119.08552	43.9
121.06487	2.7
121.10121	31.8
122.07217	1.6
123.04388	4.5
123.08043	48.6
123.11675	19.4
125.09597	5.6
127.07533	1.6
127.11151	2.8
131.08530	1.3
133.09094	2.1
133.10101	49.5
135.11667	49.7
137.05940	2.2
137.09589	100.0
137.13229	6.7
138.10414	9.1
139.11107	4.4
140.06998	1.5
142.06477	1.2
147.11673	9.5
149.05942	3.6
149.13220	14.4
151.07533	2.9
151.11136	5.5
151.14793	10.0
153.12665	2.0
163.11182	3.4
165.12677	12.0
165.16357	4.5
166.08638	2.7
167.07005	18.7
168.07329	1.3
169.10016	1.5
175.14787	65.9
178.13504	1.6
179.07066	5.9
181.08459	2.6
184.09648	3.6
193.08493	1.8
193.15843	46.5
211.09537	2.4
211.14876	2.7
211.16859	43.8
212.09087	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	211.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	2.0
56.50738	0.7
57.03431	0.9
57.07054	1.8
60.33504	0.7
61.09928	0.8
67.05488	3.1
69.07060	5.5
70.06604	0.9
71.04985	3.9
71.52864	0.7
71.53236	1.0
79.05471	2.4
81.07046	13.0
83.08615	2.1
86.65526	0.7
91.05469	4.8
93.07027	11.0
95.04942	1.1
95.08595	24.7
97.06498	1.4
98.31214	0.8
98.48356	0.7
98.98445	1.0
99.04450	1.1
99.08092	5.0
105.07013	12.1
107.08575	18.5
109.10150	5.4
112.07607	1.3
113.09645	4.4
117.06995	1.1
119.08564	58.1
121.10136	2.0
123.08060	1.4
123.11678	5.2
125.09624	0.8
131.08536	0.9
133.10110	100.0
134.10463	2.0
135.11670	33.3
135.12717	1.7
137.09575	3.0
140.07040	5.8
142.08623	1.3
145.10168	1.0
147.11673	6.4
166.08614	8.4
168.98494	0.7
175.14798	89.1
176.15147	2.0
184.09650	28.8
193.15842	11.0
194.73773	0.7
195.28635	0.9
211.11197	0.8
211.14989	1.3
211.16925	6.2
212.09142	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	212.0763
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41201	0.1
55.01848	0.2
55.04507	0.2
55.05490	0.3
56.05024	2.8
56.96555	0.3
57.03416	0.9
58.25364	0.2
59.84047	0.1
61.02910	0.5
61.43425	0.1
63.82562	0.1
67.05489	0.3
69.03406	0.5
70.06586	0.4
71.52898	0.2
71.53257	0.2
73.02902	0.7
80.04998	0.7
81.03414	0.6
82.06554	0.3
82.99812	0.3
83.06102	0.2
84.08125	100.0
85.02872	1.3
85.06491	0.2
85.08461	0.7
88.02162	0.2
91.03908	0.2
97.02888	0.6
98.97562	1.1
101.00906	0.5
109.02850	0.5
110.07141	0.7
110.97546	0.4
112.07585	3.3
116.98576	0.5
119.01871	1.5
121.01611	0.2
127.03857	0.2
128.02299	0.2
128.98579	0.5
131.01813	0.3
137.02931	0.3
140.07037	0.3
146.02281	0.2
146.99652	0.5
149.02795	0.2
152.07048	0.2
156.04979	0.2
158.06670	0.9
158.99608	0.3
160.08127	0.2
160.76137	0.2
161.01263	0.3
161.02841	0.6
166.07217	0.4
166.08560	0.4
166.09837	0.3
170.03325	0.2
170.06578	0.8
170.99677	0.3
176.07666	0.9
177.00783	0.2
182.03242	0.3
184.04568	0.5
184.08157	5.4
184.09674	1.3
188.07652	1.1
189.00690	0.7
191.03899	0.4
194.06581	0.5
194.08153	0.5
202.09180	2.4
205.62286	0.2
212.07631	19.5
212.10451	10.0
212.13853	0.8
212.85176	0.7
213.07802	0.6
219.01733	0.3
230.08690	38.0
231.08879	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.0
55.05503	5.7
57.03415	1.4
57.07061	2.1
67.05493	4.5
69.03392	1.8
69.07053	5.7
69.87148	0.7
70.78064	2.3
71.04970	3.5
79.05466	4.1
81.03392	0.8
81.07039	13.7
83.04963	1.7
83.08598	2.4
85.06536	1.9
91.05457	6.3
93.07028	10.2
95.04957	3.5
95.08591	22.4
97.06513	1.9
99.04450	0.9
99.08080	7.7
102.68397	0.8
105.07001	12.7
107.08582	19.2
109.06497	2.1
109.10131	8.9
109.80775	0.7
111.08063	0.9
113.09626	3.3
119.08559	57.0
121.06485	0.8
121.10107	3.3
123.04418	3.4
123.08064	2.2
123.11697	4.8
125.09605	1.7
131.08502	1.2
133.10104	100.0
134.10434	2.2
135.11667	35.1
137.05971	1.3
137.09612	3.9
145.10138	0.9
147.11699	3.8
149.05992	1.0
151.03961	1.3
151.07553	1.7
151.11182	1.3
166.08597	1.3
167.07011	8.4
175.14793	87.3
176.15094	1.5
179.07056	5.7
183.85188	0.9
184.09665	2.9
193.08461	0.9
193.15829	8.8
211.09628	1.1
211.16837	4.8
212.09148	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	211.1687
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03915	1.8
55.05500	22.8
55.97523	1.3
56.05833	5.0
57.03431	1.4
57.07062	3.8
59.04981	5.3
62.90434	1.3
65.03931	2.3
67.05489	18.0
69.03403	5.5
69.07050	11.3
70.82934	3.2
71.04983	13.0
72.08147	2.2
79.05466	6.4
81.07040	25.5
83.04987	6.7
83.08607	11.7
84.05289	2.0
84.08127	3.4
84.08945	2.5
85.06529	9.4
86.89658	1.2
88.55919	1.6
91.05464	7.7
93.07025	22.3
94.13611	1.3
95.04945	28.0
95.08588	46.9
97.06512	3.0
98.98469	1.3
99.04424	9.3
99.08073	100.0
100.07600	2.6
100.11240	3.3
101.05993	5.0
101.06601	1.3
101.07948	2.6
101.11560	3.6
105.06998	16.4
105.85639	1.2
107.08576	25.2
109.06509	4.1
109.10133	49.6
111.04497	1.7
111.08028	3.5
112.04755	3.1
113.05968	2.4
113.09618	5.7
119.04852	1.5
119.08556	50.0
121.06487	3.6
121.10114	8.6
123.04390	6.5
123.08038	4.5
123.11681	11.1
125.09623	4.8
127.09470	1.8
127.11165	2.2
128.07043	1.4
133.10106	80.2
135.11665	40.8
137.05913	1.8
137.09592	20.0
140.07083	1.9
147.11659	3.1
149.05923	3.9
149.13187	3.1
151.03871	1.9
151.07523	2.1
151.11136	3.5
151.14795	6.2
153.12772	1.8
155.10640	21.2
166.08595	2.1
167.06996	34.8
175.14792	77.8
176.15135	1.4
179.06995	10.6
181.08582	3.5
182.11272	1.4
182.15331	1.9
183.15723	22.5
184.09702	5.0
193.08458	1.6
193.15839	29.2
202.60616	1.6
211.09454	2.8
211.15100	11.6
211.16911	28.7
212.09132	5.5
221.81712	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1688
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
55.05495	3.7
56.61078	0.6
57.07066	1.3
59.27815	0.6
67.05487	4.6
69.03404	1.2
69.07056	5.3
69.52324	5.3
71.04977	5.1
79.05479	3.3
81.03408	0.7
81.06577	1.2
81.07040	16.3
83.04984	1.5
83.08582	2.0
84.08116	1.1
85.06536	1.1
91.05440	5.5
93.07023	10.6
95.04936	3.2
95.07980	1.3
95.08590	24.6
97.06502	1.8
98.20814	1.2
99.08088	5.9
100.07632	1.1
105.07009	14.0
107.08567	18.2
107.09294	1.0
107.62279	0.6
109.06464	1.5
109.10138	6.6
111.08045	0.7
113.09623	4.3
117.06940	1.0
119.08558	59.2
121.06472	1.0
121.10117	2.2
123.04399	3.3
123.08080	1.7
123.11694	7.3
131.08516	1.0
133.10103	100.0
134.10443	2.2
135.11662	35.6
137.06004	1.1
137.09586	3.1
140.07030	1.2
146.10945	0.8
147.11668	5.1
149.06006	1.2
151.07513	1.0
160.12473	0.8
163.14830	0.8
165.09027	0.8
166.08611	2.7
167.07004	7.5
175.14795	85.5
176.15149	1.4
179.07001	6.1
184.09642	4.9
193.08556	0.7
193.15854	11.7
211.03836	1.6
211.09525	1.1
211.15030	1.3
211.16768	5.7
212.09132	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	211.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.9
54.35888	0.7
55.01868	4.8
55.05505	12.1
56.96549	1.6
57.03424	2.6
57.07062	4.5
58.06587	1.5
59.04986	2.2
65.03922	2.3
66.86105	0.8
67.05494	24.9
68.05844	1.0
68.99790	1.2
69.03412	7.3
69.07059	22.5
70.06580	2.8
71.01331	0.9
71.04987	9.9
71.51945	1.5
72.08138	2.7
77.03928	1.1
78.04704	2.2
79.05479	17.1
80.05033	1.0
81.03407	3.9
81.07046	32.2
83.04962	10.1
83.08602	6.7
84.04495	1.1
84.08134	5.1
85.02881	1.9
85.06525	11.8
87.04450	0.8
90.36621	0.9
91.04893	1.6
91.05466	32.6
93.03407	1.1
93.07027	35.6
94.06563	1.1
95.04953	88.4
95.08594	32.2
95.70847	0.8
96.05287	1.6
97.02879	1.5
97.06532	5.7
97.10139	1.7
97.24516	0.9
98.05978	1.3
98.09661	1.3
99.04444	6.3
99.08079	53.0
100.07591	4.6
101.06002	3.2
103.05444	9.8
105.03394	1.1
105.04503	1.2
105.07015	36.7
106.04168	1.4
107.04949	3.4
107.08575	21.0
109.02867	2.9
109.06501	23.0
109.10139	35.1
110.03671	1.3
110.10507	0.9
111.04449	1.5
111.07345	0.9
111.08031	5.0
112.07563	1.2
112.11222	2.0
113.06013	3.4
113.09643	1.2
115.07573	1.1
117.06973	1.6
118.04117	0.9
119.04150	1.2
119.04909	6.9
119.08559	21.7
121.02882	1.6
121.06485	12.5
121.10125	9.0
122.03609	0.9
123.04412	49.1
123.08064	8.2
123.11680	13.9
124.05227	1.1
124.07635	0.9
125.05969	2.7
125.09582	6.1
127.07567	3.2
127.11174	1.2
129.06981	0.9
131.08525	6.8
133.02859	0.9
133.06448	6.0
133.10109	95.9
134.10455	2.9
135.04375	0.9
135.08028	2.4
135.11674	14.4
136.05203	1.5
136.78098	0.9
137.05962	14.2
137.08528	1.9
137.09589	33.7
137.13181	2.1
140.07082	5.0
140.10681	3.9
142.08627	1.2
147.04349	4.4
147.08063	1.3
147.11664	20.4
149.05966	19.4
149.09576	2.2
149.13239	2.3
150.06725	1.5
151.03896	5.0
151.06517	1.2
151.07529	28.5
151.11156	52.6
151.14758	1.2
152.04671	1.4
153.07011	0.8
153.12730	2.0
155.07011	14.8
155.08397	1.7
155.10649	23.0
157.10100	0.9
161.05902	2.7
161.07100	1.8
163.14774	1.1
165.01839	1.5
165.05510	2.1
165.06982	0.9
165.09090	3.3
165.12733	5.0
165.16321	1.9
166.06256	3.8
166.08571	7.4
167.07010	73.1
168.07393	2.8
168.10283	2.1
175.11180	9.7
175.14799	13.4
176.23030	1.0
179.07005	100.0
180.07552	3.5
181.08569	20.8
182.08803	1.3
183.08038	1.4
183.11676	1.6
184.09648	23.1
193.04926	1.7
193.06947	1.2
193.08533	7.3
193.12196	25.9
193.15854	19.3
194.18974	0.9
196.08728	1.2
211.05952	2.5
211.07634	2.0
211.09511	22.0
211.11174	4.0
211.13153	23.8
211.16837	25.9
211.18764	1.4
212.09126	16.7
212.13568	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72340	0.5
52.91110	0.6
53.03938	1.1
54.61405	0.5
55.01860	1.7
55.05500	12.8
56.05025	0.8
56.96559	0.9
57.03418	2.2
57.07063	1.8
58.06577	1.1
59.04989	2.9
65.03932	1.3
67.05489	19.3
68.99777	0.7
69.03420	3.6
69.07053	6.0
70.06577	4.3
70.78754	0.6
71.04975	5.2
71.52413	0.9
72.08150	4.1
73.02899	0.8
78.04710	1.2
79.05470	7.1
80.05000	0.8
81.03403	2.6
81.06579	0.9
81.07040	14.1
83.04969	5.7
83.08603	10.2
84.04479	0.7
84.08134	5.9
85.02888	1.9
85.06522	4.3
86.09682	1.4
87.04478	0.8
91.05462	7.9
93.03384	0.8
93.07027	13.3
95.04948	100.0
95.08587	20.6
96.05273	1.6
96.08116	0.9
97.02888	1.4
97.06519	3.6
97.10133	0.9
98.06024	1.6
98.09663	2.5
98.98438	0.9
99.04443	6.7
99.08072	37.2
100.07584	3.6
101.05997	3.3
103.05432	2.8
105.03365	1.8
105.07009	7.1
107.04925	1.3
107.08581	11.7
109.02861	1.8
109.06499	5.7
109.10134	34.4
110.09694	0.8
110.10456	0.8
111.04436	1.0
111.08067	4.1
112.07573	2.1
112.11212	1.1
113.05974	1.5
113.09624	1.0
115.07552	0.9
119.04904	1.7
119.08545	12.0
120.08064	1.7
121.06476	5.2
121.10123	5.9
122.03613	1.0
123.04420	7.7
123.08060	4.1
123.10867	1.0
123.11682	4.7
124.05177	1.8
124.07534	1.1
125.05978	0.9
125.09624	2.1
126.01028	1.5
126.60722	0.8
127.03884	1.1
127.07561	1.0
127.11131	1.4
128.11212	0.8
129.13846	1.1
130.06471	0.7
131.08527	0.6
133.02820	2.4
133.06432	2.3
133.10107	8.9
135.04457	0.7
135.08049	1.1
135.11658	13.3
136.07509	0.6
137.05980	7.1
137.09586	49.1
138.09030	0.7
138.09966	0.9
139.07448	0.7
139.11111	1.4
140.04637	1.0
140.07039	4.8
140.10660	1.6
140.96739	0.6
141.05443	0.7
141.10173	0.8
142.08598	1.5
147.04388	1.3
147.07996	1.4
147.11678	1.8
149.05949	8.0
149.13203	2.2
151.03885	3.6
151.07481	1.9
151.11156	2.5
151.14777	1.7
152.04610	1.0
153.06995	2.0
153.12724	2.5
155.08528	2.6
155.10628	30.4
155.11887	1.5
161.02354	1.8
161.05977	1.4
163.03816	0.8
163.97733	0.7
165.05421	1.9
165.06830	1.0
165.09076	3.9
165.10258	1.2
165.12721	1.3
165.16418	1.0
166.06172	1.2
166.08594	6.7
167.07005	61.7
168.07352	2.5
168.09348	2.4
169.04904	0.8
169.07610	0.7
175.07431	0.7
175.11142	1.5
175.14798	10.8
179.03374	1.4
179.06915	3.2
181.04919	1.1
181.06326	1.4
181.08568	8.4
181.10063	0.7
183.08064	0.7
183.11598	2.9
184.09650	21.4
186.54393	0.6
188.15758	0.6
193.04945	6.0
193.08409	3.0
193.10031	2.3
193.12199	2.6
193.15834	18.2
194.08015	0.9
196.07233	1.3
196.08809	2.4
202.51880	0.6
205.98837	1.1
206.19131	0.7
211.05875	2.4
211.07513	3.3
211.09518	3.0
211.11295	10.8
211.16881	47.8
212.03682	1.2
212.07112	1.1
212.09123	18.6
212.17325	1.8
227.51266	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1324
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
53.03931	2.2
53.79659	0.5
55.01861	19.3
55.05501	17.0
55.12438	0.6
55.93481	0.6
56.96544	1.3
57.03431	3.2
57.07047	2.1
59.04971	0.9
65.03922	1.4
65.88122	0.5
67.05489	35.7
69.03415	2.9
69.07053	21.4
69.07345	0.4
70.06572	0.7
70.96243	1.4
70.96570	0.7
71.04980	6.6
72.08129	1.0
73.02884	0.7
73.06561	0.6
79.05480	22.2
81.03394	1.5
81.07038	100.0
83.04964	7.4
83.08600	10.7
84.08141	1.6
85.02895	0.9
85.06522	7.4
86.09702	0.7
87.04427	0.7
91.05461	31.6
92.09812	0.6
93.07023	17.3
95.04941	5.2
95.07973	1.3
95.08582	24.6
97.02888	2.6
97.06511	11.2
97.10150	2.1
97.99184	0.7
98.66685	0.6
99.04428	1.4
99.08076	4.3
99.98490	0.7
100.07590	0.9
101.06023	1.1
105.07007	42.0
107.04946	1.3
107.08567	13.1
109.06490	7.7
109.10133	2.5
110.06023	0.7
111.04467	0.8
111.08080	2.2
113.05982	2.4
116.06278	0.7
117.06987	1.4
117.37846	0.6
119.08553	36.2
121.06526	0.6
121.09215	0.9
121.09394	0.5
121.10113	27.1
123.04430	1.7
123.08057	6.5
123.11681	33.1
125.05976	1.0
127.07540	3.2
128.06212	0.7
129.06981	3.4
131.08527	4.2
133.06471	0.6
133.10104	16.8
135.11650	0.9
137.05948	1.9
137.09601	1.5
137.13274	2.5
140.07002	1.5
142.07813	0.9
145.10127	1.1
145.20477	0.6
147.11653	66.5
148.11996	0.9
149.09607	1.8
151.07552	1.7
151.11156	1.5
155.08528	0.7
157.10104	7.2
163.05295	0.6
165.09081	1.0
165.12727	14.1
166.08632	2.1
167.07034	5.5
169.10057	1.0
175.11145	7.0
175.14856	0.7
179.07037	2.5
183.11752	0.8
184.09663	6.1
193.12212	5.9
193.15709	0.6
211.09589	1.6
211.11240	1.1
211.13231	3.0
211.14821	2.5
212.09131	5.7
229.14304	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1688
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
55.01846	2.1
55.05497	19.8
57.03417	6.9
57.07053	6.2
59.04971	3.4
60.05737	1.9
67.05490	32.8
69.03414	4.2
69.07056	20.1
71.04976	9.9
71.08620	3.5
71.18334	5.1
79.05490	10.1
81.03401	4.3
81.07044	33.8
83.04964	11.0
83.08595	17.9
85.06537	8.8
91.05466	12.6
93.07023	26.3
95.04954	8.4
95.08589	58.2
97.06488	10.6
97.10141	4.6
98.98452	22.8
99.04445	2.2
99.08077	7.9
103.05458	2.4
105.07008	16.3
107.08572	34.1
109.06500	13.0
109.10137	94.6
111.08060	48.2
113.05976	3.1
113.09663	2.7
114.48708	1.7
115.07528	3.6
117.52530	1.8
119.08560	52.0
121.06480	5.3
121.10117	37.2
123.04401	11.0
123.08043	54.1
123.11676	24.4
125.09608	9.4
127.07542	2.6
127.11177	2.7
133.10100	53.9
135.11674	60.9
137.05966	2.2
137.09590	100.0
137.13219	7.0
138.10347	7.9
139.11143	4.6
140.07027	3.5
141.09132	2.1
145.10156	1.8
147.11681	10.3
149.05966	7.0
149.13228	14.8
151.07532	5.7
151.11136	7.3
151.14758	10.4
163.11168	3.4
165.12746	14.4
165.16351	4.3
166.08542	5.7
167.07010	36.6
169.10155	2.1
175.14801	73.5
178.13548	2.6
179.07010	21.2
181.08530	6.7
184.09689	14.1
193.08615	2.1
193.12128	1.9
193.15855	40.5
193.23253	1.8
211.07622	3.2
211.09676	5.3
211.14882	3.6
211.16855	52.5
212.09149	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	211.126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.1
55.01842	1.2
55.05501	6.9
56.96295	1.0
56.96557	16.2
57.03406	1.1
63.15158	0.8
67.02962	0.9
67.04237	1.1
67.05486	7.0
68.05000	1.6
69.03404	1.4
69.05795	3.5
69.07058	4.2
70.06582	89.0
71.04972	3.0
71.53673	1.2
72.08129	1.8
73.01102	0.9
73.03551	0.8
79.05477	5.2
80.05000	1.6
81.03418	4.6
81.07043	23.1
82.06575	9.8
83.04982	2.2
83.08598	3.1
84.08127	2.8
84.96000	2.9
85.06487	2.1
87.02656	1.1
88.02207	8.1
91.05461	7.3
93.05761	2.3
93.07029	2.9
94.06551	2.2
95.04945	2.7
95.08604	5.2
96.08109	1.9
97.01129	1.4
97.06507	1.1
97.10136	1.7
97.99165	3.7
98.06055	1.7
99.04417	1.5
99.08057	1.5
100.07600	1.7
105.06996	3.9
107.08577	2.4
108.08105	10.8
108.08788	1.5
109.07626	86.8
109.10081	4.4
111.08036	1.7
115.05784	0.9
116.00238	4.2
119.08556	3.4
121.10159	1.0
123.04433	1.2
123.08062	1.4
123.11690	2.2
125.04191	1.3
133.10085	3.3
134.01260	1.6
135.11696	2.1
137.09584	1.4
140.07045	3.7
142.06836	1.6
143.99664	1.5
147.11681	2.7
151.07491	1.3
151.11073	1.1
155.08600	1.6
157.10117	1.1
166.08624	6.1
167.06969	1.7
169.10081	1.2
175.11107	1.2
175.14841	1.9
183.11609	1.2
184.09669	17.7
184.11330	1.9
187.99382	0.8
193.08606	1.5
193.12206	2.8
193.15833	2.2
196.12468	1.7
205.98732	1.5
211.12628	100.0
211.14592	5.0
212.09120	14.9
212.12717	1.2
220.12955	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02358	0.3
52.92800	0.3
53.03936	1.8
53.88728	0.3
55.01854	1.0
55.05483	0.5
55.59689	0.3
56.96545	0.8
57.07061	0.4
61.69312	0.3
65.03921	0.4
67.05486	1.2
69.03407	0.5
69.07040	0.4
69.95860	1.3
70.06561	0.8
71.04979	0.4
72.08129	1.5
72.80701	0.3
73.02891	0.4
77.03883	0.3
78.04694	2.8
79.05489	2.4
79.86662	0.3
80.05789	0.3
81.03400	1.0
81.07053	2.0
83.04978	0.7
84.08127	1.5
85.02882	0.8
85.03970	0.3
86.09705	0.3
91.05466	9.7
92.05775	0.3
93.03359	0.4
93.07030	10.0
93.07644	0.6
95.04955	4.1
95.06067	2.0
95.08592	0.9
96.08099	0.3
97.06513	0.3
98.06030	0.4
98.09580	0.3
98.21350	0.4
99.04438	0.3
99.08054	0.6
100.07603	0.5
100.95734	0.3
101.96724	0.2
103.05451	7.9
105.03366	0.7
105.04522	0.9
105.07009	3.4
106.04150	2.3
107.04929	1.3
107.08564	0.5
109.02885	1.0
109.06490	0.9
109.10121	0.9
110.37475	0.3
113.03472	0.3
113.07140	1.4
113.10747	0.5
115.05459	0.7
118.04131	0.4
119.04900	1.3
119.08567	1.0
120.04448	1.0
120.08110	0.3
121.06484	17.3
122.06796	0.4
123.04415	8.3
123.05332	0.5
123.08024	0.4
123.11736	0.6
124.05214	2.5
124.07596	0.5
125.05969	0.5
131.04874	0.4
131.06006	1.0
133.02835	1.0
133.06467	3.3
133.10089	0.8
134.03592	0.4
135.04376	0.4
135.11673	0.4
137.05937	2.1
137.09567	0.3
138.06671	0.3
139.62335	0.3
140.04626	0.3
140.07008	1.3
141.10236	0.7
147.04309	0.4
147.07986	0.4
147.11618	0.5
149.05959	31.0
150.06450	0.4
151.03876	2.8
151.07506	1.0
152.04669	1.4
161.05959	4.4
161.57123	0.3
163.97661	0.5
165.05463	1.6
165.09018	0.5
165.12804	0.3
166.04959	0.6
166.06252	5.8
166.08536	1.4
167.07010	100.0
168.07355	1.4
175.14731	0.6
179.07098	0.7
180.07800	2.1
181.08568	33.1
181.50354	0.3
181.98824	0.3
182.08888	0.9
184.09653	3.5
193.04976	0.7
193.08566	1.6
193.12289	0.4
205.98756	0.5
211.05888	0.6
211.07663	0.5
211.09602	7.6
211.11456	0.7
211.14331	2.0
212.09093	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	211.0962
Annotation	Sinapyl alcohol
Peak:m/z	Relative Intensity
53.03926	1.2
55.01858	0.9
55.05488	1.1
56.05022	0.5
56.96553	0.7
57.03431	0.6
59.09291	0.3
65.03914	0.4
65.85230	0.3
66.04691	0.4
67.05492	1.0
69.03439	0.3
69.07050	0.6
70.06576	1.0
70.53932	0.8
72.08149	3.1
73.02908	0.4
75.73063	0.3
77.03916	0.5
78.04697	2.8
79.05482	2.7
81.03390	1.3
81.07039	1.3
81.60542	0.3
83.04961	0.4
84.08130	1.2
88.02248	0.4
91.04900	0.5
91.05468	10.5
92.66572	0.3
93.03391	0.4
93.07030	9.8
93.07628	0.6
95.04959	4.0
95.06072	0.7
95.08585	0.6
97.02872	0.6
99.04434	0.5
103.05449	8.5
105.03387	0.6
105.04507	0.8
105.07011	3.2
106.04183	1.9
107.04951	1.6
107.08559	0.5
109.02875	0.8
109.06496	0.8
109.10127	0.7
111.04450	0.4
113.07106	1.0
115.05457	0.4
118.40555	0.3
119.04932	0.9
119.08582	0.6
120.08107	1.8
121.06485	17.8
121.10159	0.5
123.04408	8.6
123.06893	0.4
124.05175	2.2
131.04909	0.5
131.05956	0.7
133.02835	0.7
133.06487	3.2
133.10117	0.7
134.03569	0.6
135.04440	0.4
135.11601	0.6
137.05943	1.8
137.09645	0.4
140.06996	0.4
141.10237	0.4
147.08058	0.3
147.11638	0.5
148.05132	0.3
149.05957	29.7
150.06305	0.5
151.03870	3.1
151.07506	0.4
151.11182	0.3
152.04645	2.4
161.02271	0.4
161.05975	4.7
163.97670	0.3
165.05457	1.5
165.09071	0.5
166.04945	0.7
166.06238	6.4
166.08626	1.0
167.07008	100.0
168.04198	0.4
168.07356	1.3
175.11960	0.4
175.14809	0.4
179.06897	0.4
180.07822	2.3
181.08566	35.0
182.08972	0.4
183.11188	0.3
184.09650	2.5
193.04892	0.6
193.08519	1.5
193.12344	0.4
194.04504	0.5
205.98666	0.5
211.02336	0.8
211.06064	0.4
211.09641	8.1
211.11407	0.4
211.14401	1.3
212.09123	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	211.0959
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
51.02349	0.4
51.18420	0.4
53.03922	0.7
55.01858	1.5
55.05498	3.0
57.03426	1.5
57.07076	0.6
57.50564	0.4
57.64736	0.4
58.54631	0.4
60.23460	0.4
65.03934	0.8
67.05495	5.1
68.99776	1.2
69.03416	0.9
69.07066	2.8
70.06577	0.7
71.04968	1.5
72.08157	0.8
78.04697	1.2
79.05478	6.0
81.03399	5.4
81.07044	4.5
83.04958	2.8
83.08609	2.0
84.08125	0.8
85.02896	0.7
85.06538	1.1
91.05466	9.5
93.03479	0.4
93.07024	4.6
95.04947	7.7
95.08582	4.9
96.05273	0.6
97.06508	1.2
97.10123	0.7
99.04443	1.0
99.08080	1.4
100.07587	0.4
100.51620	0.3
103.05426	3.1
105.03347	0.8
105.07014	9.1
106.04150	0.5
107.04963	2.0
107.08563	3.0
108.05722	0.9
109.02857	1.3
109.06493	2.6
109.10137	2.8
110.03664	2.0
111.04436	1.2
111.08044	1.9
115.05441	0.6
117.06913	0.6
118.04124	2.3
119.04916	6.9
119.08549	2.8
120.08061	0.8
121.02820	0.8
121.06500	2.7
121.10128	1.3
123.04404	44.5
123.08038	4.7
123.11678	1.5
124.05183	0.7
125.05958	0.4
125.09579	0.7
129.06995	0.5
131.08566	0.7
133.06456	5.8
133.10110	3.6
135.04353	0.9
135.08026	0.9
135.11655	1.8
136.05197	0.7
137.05946	4.2
137.09587	1.5
140.07007	1.0
140.10683	0.6
141.05473	0.5
147.04405	4.2
147.11670	2.3
149.05957	2.9
149.09557	1.0
149.13206	0.5
150.06723	3.5
151.03914	2.8
151.07515	26.6
151.11128	1.1
157.10078	1.2
161.05904	1.0
161.07109	1.2
164.04709	0.8
165.09082	3.0
165.12788	0.7
166.08604	1.2
167.07007	24.8
169.10080	0.7
169.91350	0.4
175.11177	1.5
175.14783	2.2
179.07001	100.0
180.07407	2.1
181.08604	2.4
183.06450	0.4
184.09651	3.9
192.58766	0.4
193.08582	8.9
193.12216	3.8
193.15849	1.6
202.86745	0.4
211.07864	0.7
211.09607	19.4
211.13153	1.6
211.14977	0.9
211.16884	1.4
212.09102	3.2
229.32910	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.096
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.4
53.03924	1.0
55.01848	1.5
55.05506	2.5
57.03414	0.9
59.84018	0.3
65.03918	1.1
67.05492	3.9
68.99774	0.6
69.03393	1.2
69.07063	2.3
69.80244	2.6
70.06589	0.7
71.04959	1.8
72.08104	0.4
78.04656	0.6
78.67680	0.4
79.05478	5.2
80.04996	0.5
81.03384	1.6
81.07046	5.3
82.06562	0.6
83.04958	1.6
83.08608	0.8
84.08130	0.7
85.02888	0.4
85.06525	1.2
91.04903	0.5
91.05463	7.3
93.03384	0.6
93.06591	0.4
93.07039	5.1
95.04955	6.3
95.08585	4.9
95.31289	0.4
97.06506	1.2
99.04472	0.5
99.08083	1.6
103.05452	3.7
105.03387	0.7
105.04518	0.5
105.07014	10.7
107.04923	1.3
107.08578	4.0
108.05700	0.6
109.02847	0.8
109.06506	2.9
109.10139	4.6
110.03610	1.9
111.04429	0.9
111.08044	1.4
115.05437	0.9
115.07550	0.7
118.04166	2.4
119.04208	0.6
119.04926	5.3
119.08555	3.1
120.05705	0.4
121.02817	1.1
121.06461	2.4
121.10117	3.0
121.38416	0.4
123.04408	41.9
123.08047	4.0
123.11679	5.5
125.09616	0.6
127.07546	0.7
133.02690	0.4
133.06461	5.0
133.10080	3.1
135.04385	1.1
135.08011	1.0
135.11661	4.8
136.05185	1.0
137.05959	3.2
137.09549	1.4
140.06990	0.7
141.09085	0.6
147.04391	4.9
147.11642	1.1
149.05942	4.3
149.13208	0.8
150.06752	2.8
151.03903	4.1
151.07513	25.1
151.11108	0.6
152.04576	0.5
157.10118	0.5
161.05872	0.9
161.07086	1.5
163.14767	2.3
165.05389	0.5
165.09076	2.3
166.08577	1.2
167.07007	13.9
169.10057	0.8
175.11143	0.6
175.14816	3.0
179.06998	100.0
180.07536	1.6
181.08583	2.7
183.06427	0.4
184.09644	3.0
193.04953	1.2
193.08574	7.9
193.12244	1.2
193.15869	3.2
211.05939	0.8
211.09612	19.4
211.14738	1.2
211.16887	3.4
212.09146	2.5
231.03238	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50380	1.9
55.01855	4.2
55.05505	48.3
57.07067	29.5
59.04995	2.4
64.30750	2.1
67.05489	3.8
68.47454	2.3
69.03415	2.4
69.07056	100.0
71.08618	20.0
71.52382	3.5
79.05471	5.1
81.04527	7.9
81.07038	10.7
83.04984	2.2
83.06102	2.6
83.08604	62.2
84.08125	4.4
85.10165	5.8
91.05477	3.9
93.07033	3.2
95.04945	5.2
95.08578	7.4
97.10155	39.5
107.08578	8.4
109.06492	7.0
109.10145	2.9
110.07125	2.7
111.04393	2.3
111.08000	3.0
111.11684	19.1
123.06664	8.9
123.08038	2.6
125.09577	2.6
125.13257	5.6
126.56610	2.5
130.08629	2.5
135.08095	2.6
149.08281	3.4
153.05504	3.2
155.72600	2.1
173.13120	3.3
177.05612	2.4
191.14290	3.3
209.15274	18.9
222.68158	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	210.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
55.01860	0.4
55.05498	0.7
56.05029	0.5
56.96552	0.8
60.04519	0.5
60.05626	0.3
61.01134	0.8
62.06073	0.5
63.58031	0.2
64.64874	0.2
67.05489	0.3
67.64285	0.2
69.07050	1.1
69.75151	1.5
70.02973	0.3
70.06577	0.9
72.04498	1.0
72.08144	0.4
73.02885	0.3
74.06058	0.4
76.03977	0.3
77.03890	0.2
79.05479	2.1
81.03404	0.6
81.07047	0.6
82.06564	0.3
83.04948	0.5
84.04475	0.5
84.08148	1.6
85.94584	0.5
86.09698	0.7
87.04449	0.7
88.02204	3.5
88.04789	0.3
91.05460	4.4
93.07031	1.6
94.06537	0.4
95.04948	0.6
95.06900	0.4
95.08580	0.4
97.02859	0.4
98.20826	0.4
103.05444	5.2
104.06207	0.4
105.07011	6.8
107.04949	2.5
107.08585	0.3
109.06490	0.5
115.05446	0.3
116.27782	0.2
117.05745	1.3
117.06993	2.5
118.06541	3.2
119.07314	5.2
119.08563	1.4
120.08099	6.7
121.06490	2.4
122.06038	0.3
124.03943	0.5
128.06181	1.2
129.06987	4.8
129.10170	0.3
130.06482	0.7
131.04906	1.6
131.07262	1.7
134.02672	1.8
136.07510	0.6
137.05907	0.5
144.08064	1.3
146.00775	0.2
146.05905	0.3
146.09624	6.5
147.04475	0.4
147.06406	0.3
147.07994	0.5
149.05916	0.8
150.05423	0.4
158.99565	0.3
163.97702	0.9
164.10681	100.0
165.11069	1.8
167.06941	1.2
167.83107	0.3
168.14597	0.4
175.05806	0.4
175.07481	0.3
181.98662	0.4
182.08113	0.4
186.99261	0.3
192.06413	0.4
192.10147	0.8
193.06851	0.5
208.04274	0.5
210.07719	1.2
210.11214	20.3
211.11415	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1531
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03918	1.1
53.87411	0.9
55.01856	2.9
55.05500	28.4
57.03430	2.1
57.07057	4.8
59.04977	1.9
65.03895	1.7
67.05495	13.6
69.03423	2.0
69.07055	7.6
70.94984	2.2
71.04983	8.8
79.05478	7.4
81.07043	20.4
83.04964	62.1
83.08602	12.4
85.02897	1.1
85.06519	3.5
91.05450	8.7
93.03378	1.3
93.07023	14.6
95.04952	87.4
95.08588	22.2
97.06515	11.6
97.10129	2.9
99.04436	15.2
99.08052	1.5
105.07006	12.7
106.04148	2.2
107.08575	23.9
109.06495	100.0
109.10137	25.8
111.08054	9.2
113.09598	2.3
117.06998	1.4
119.08565	3.6
121.06487	4.6
121.10126	16.5
123.08061	11.0
123.11672	4.2
125.05961	1.2
125.09625	6.6
131.08548	12.2
133.10107	39.3
135.08023	21.9
135.11642	1.5
137.09523	1.2
139.11095	1.4
143.08560	1.6
145.10080	3.6
147.11658	3.6
149.05974	5.2
149.09583	3.7
149.13245	11.0
151.11145	16.7
153.09068	34.8
158.10890	3.6
163.14792	4.0
167.06989	1.7
167.14284	23.1
173.13245	19.8
177.05333	1.6
191.14281	30.7
209.08006	2.2
209.15334	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	209.1531
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.94794	2.2
55.01852	6.6
55.05501	39.7
57.07058	3.9
59.04987	4.0
63.66497	1.7
67.05482	16.4
69.03389	5.2
69.07051	12.8
69.24813	9.2
69.25238	10.5
71.04984	10.8
78.04675	2.5
79.05481	14.0
81.07043	33.1
83.04482	3.5
83.04961	57.1
83.08606	17.4
85.02884	5.3
85.06503	4.9
91.05455	16.8
93.03398	5.2
93.06551	2.1
93.07027	22.2
95.01447	1.9
95.04948	100.0
95.08592	18.7
97.06516	18.8
97.10122	7.1
99.03856	1.9
99.04433	15.1
99.08057	3.1
100.11214	1.9
103.05431	5.2
105.07012	19.2
106.04140	14.8
107.04892	2.8
107.08575	34.6
109.06497	90.0
109.10133	30.5
111.04416	3.5
111.08076	13.1
113.09591	4.4
117.03365	2.4
117.06983	2.8
119.04858	2.2
119.08541	8.2
121.06489	22.2
121.09332	2.0
121.10128	30.2
123.08039	11.3
123.11676	8.0
125.05968	5.2
125.09606	17.1
131.08556	15.8
133.10114	49.4
134.03531	2.5
135.08037	23.6
135.11655	6.0
137.05949	2.9
137.09570	4.0
139.07475	3.1
139.11180	2.6
143.08546	3.0
145.02853	2.2
145.10136	10.5
147.11617	9.0
148.05107	2.8
149.05966	22.9
149.09579	8.6
149.13234	18.8
151.11157	22.6
153.09067	41.0
158.10896	4.7
163.07487	3.2
163.11130	3.3
163.14793	7.5
165.12727	2.2
167.07011	15.7
167.14297	42.1
173.13240	33.4
177.05460	12.9
181.08565	4.7
191.10590	3.4
191.14272	33.4
194.05672	2.5
209.08058	18.0
209.11948	2.4
209.15315	67.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1531
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
52.11295	1.5
55.01863	11.3
55.05499	78.2
57.03417	3.1
57.07053	7.3
59.04978	4.6
65.03912	2.2
67.05493	9.0
69.03416	8.1
69.07044	7.5
70.89108	3.6
71.04981	3.7
79.05476	9.6
81.07042	17.8
83.04964	82.2
83.08601	57.2
85.06536	4.4
91.05458	7.4
93.07031	14.2
93.52737	1.6
95.04952	24.0
95.08588	11.7
97.06515	12.4
97.10148	12.2
99.04415	5.7
99.08045	3.2
103.05436	2.1
105.07005	6.8
107.04903	2.4
107.08569	28.9
109.06502	19.8
109.09454	2.4
109.10136	32.0
111.04422	2.0
111.08072	14.0
113.09618	2.3
117.03370	2.3
117.95898	3.1
119.08592	2.9
121.06438	3.2
121.10133	16.5
123.07995	2.8
123.11690	17.0
125.09592	15.2
131.08586	2.5
133.10124	10.2
135.04385	1.7
135.07996	5.9
135.11670	3.8
135.96994	2.2
137.09599	2.6
139.44696	1.8
140.00366	2.0
145.00885	3.9
149.05948	5.9
149.09563	4.1
149.13226	12.1
151.03574	1.5
151.11154	65.7
153.05417	1.9
153.09084	10.3
163.01973	4.5
163.07397	1.7
163.97717	2.7
167.14285	100.0
173.13177	4.9
177.05504	7.5
181.98671	1.9
191.07018	5.4
191.10547	1.9
191.14287	9.8
194.02058	1.8
209.04335	6.2
209.08029	7.0
209.09821	2.9
209.11555	3.1
209.15318	73.0
209.18930	7.6
210.11304	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	209.1533
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03918	3.7
55.01844	4.5
55.05502	47.3
55.05769	1.6
57.03406	7.0
57.07050	5.8
59.04977	5.4
65.03905	3.6
65.55219	1.6
67.05486	11.5
69.03402	4.8
69.07051	16.0
69.99769	5.0
71.04967	7.1
72.92361	1.6
79.05474	16.1
81.07039	29.0
83.04968	41.7
83.08597	30.6
85.02913	1.8
85.06513	4.4
91.05466	19.1
93.03364	5.1
93.07024	32.7
95.04948	50.4
95.08591	14.4
96.45668	1.7
97.05920	2.4
97.06509	21.5
97.10130	5.3
99.04409	8.7
103.05443	6.2
105.07021	14.7
106.04166	15.2
107.08571	41.7
109.06494	92.9
109.10129	27.5
111.07291	1.9
111.08050	14.7
113.09608	3.0
115.07508	3.0
117.06985	2.2
119.04952	2.4
119.08538	7.5
121.06487	20.3
121.10120	100.0
122.95353	1.6
123.08045	9.4
123.11658	6.5
125.05933	3.7
125.09601	10.7
131.04881	3.4
131.08539	8.7
133.10103	38.2
134.03630	1.9
135.04367	3.0
135.08032	14.4
135.11652	6.1
137.05920	2.0
139.07501	2.6
139.23029	1.9
143.08548	1.8
145.10072	4.6
147.04343	1.7
147.11678	2.4
149.05968	21.3
149.09579	2.1
149.13217	12.1
151.11150	31.3
153.07898	2.9
153.09077	43.8
158.10846	2.9
159.04309	2.0
163.14792	22.7
167.07018	3.6
167.14285	45.7
173.13242	21.2
177.05479	18.9
181.08556	7.2
181.92543	1.8
191.06996	3.3
191.10594	2.0
191.14268	49.5
194.05663	2.5
209.04445	5.3
209.08221	11.2
209.15320	68.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1533
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03921	3.4
53.19855	1.2
55.01858	4.4
55.05503	97.6
57.03435	3.1
57.07058	2.0
59.04985	4.4
65.03912	1.3
67.05492	11.8
69.03419	8.6
69.07040	8.7
69.97620	6.4
71.04963	3.9
75.04456	1.6
78.04690	2.9
79.05486	6.8
81.07045	16.8
83.04966	92.2
83.08605	55.1
83.09125	2.0
85.02836	2.0
85.06507	4.4
89.03891	1.3
91.05458	11.5
93.03373	3.5
93.07030	21.5
95.04957	24.4
95.08598	11.3
95.10660	1.3
97.06505	13.0
97.10151	8.7
99.04413	5.1
99.08077	1.4
103.05463	5.8
105.07014	6.7
106.04157	10.4
107.04912	2.9
107.07867	2.5
107.08573	35.6
107.09299	2.4
109.06503	29.2
109.10145	35.0
111.08067	15.3
112.08817	1.4
113.09602	2.4
117.03350	1.3
119.08558	3.3
121.06502	19.0
121.10123	41.6
123.08040	3.5
123.11665	13.6
125.05968	3.6
125.09602	18.0
131.04880	5.5
131.08531	5.4
133.10112	17.4
134.03610	2.3
135.08029	5.4
135.11673	2.3
137.05917	3.2
138.06720	2.7
145.10077	1.9
147.11700	2.0
148.05144	3.6
149.05952	20.2
149.09573	3.7
149.13214	11.4
151.07524	2.1
151.11154	56.7
153.09085	13.1
159.04384	3.0
163.07515	2.5
163.11246	1.4
163.14783	6.3
167.07065	3.2
167.14287	100.0
173.13208	7.9
177.05437	28.2
181.08612	2.5
191.06990	2.3
191.14278	12.1
209.08119	11.8
209.15329	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	209.1532
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03922	2.6
55.01860	2.2
55.05499	93.3
57.03409	4.3
57.07047	3.8
57.83663	1.5
59.04970	5.2
67.05493	8.5
69.03398	6.8
69.07051	7.9
70.58709	1.4
70.85741	4.6
71.04976	3.1
79.05469	4.9
81.07033	18.0
83.04964	92.7
83.08600	50.9
85.06525	2.4
89.06001	2.4
91.05436	5.4
93.07015	16.8
93.26315	1.4
95.04952	26.3
95.08582	13.9
97.06503	8.0
97.10133	10.5
99.04414	4.0
99.08076	2.5
105.07008	6.3
107.08566	29.1
107.63439	1.6
109.06491	19.6
109.10132	27.4
111.04382	1.7
111.08059	13.0
113.09674	2.4
119.08531	2.8
121.10118	39.8
123.08080	2.5
123.11696	13.8
125.09598	14.2
125.14112	1.8
131.08521	4.1
133.10101	16.9
135.07977	4.6
135.11653	2.7
137.09502	2.0
141.91684	1.8
147.11673	2.0
149.05907	1.6
149.13190	9.3
151.11150	61.2
151.12358	3.6
152.06006	1.5
153.09038	10.8
159.38524	1.7
163.14734	7.2
167.14281	100.0
173.13222	8.3
191.14246	12.1
209.15327	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	209.1532
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
50.86594	1.4
53.03926	2.9
55.01867	8.7
55.05503	91.0
56.05844	1.3
57.03426	2.7
57.07050	5.0
59.04984	4.2
65.03925	1.9
66.34671	1.3
66.56774	1.4
67.05492	11.4
68.54749	1.3
69.03410	7.2
69.07059	9.1
69.44326	1.3
71.04980	6.5
71.52547	1.5
71.52957	2.3
74.38769	1.4
79.05469	6.1
81.07050	14.7
83.04967	83.5
83.08607	59.6
84.04510	1.9
85.06510	3.8
91.05460	8.4
93.07031	13.8
95.04954	30.5
95.08588	13.4
97.06522	9.6
97.10149	13.9
99.04424	5.7
99.08080	2.7
103.05447	3.0
105.07019	4.9
107.04935	1.6
107.08573	27.2
109.02797	1.5
109.06503	14.7
109.10136	33.3
111.08064	13.0
113.09616	3.6
117.95912	2.0
119.08524	2.7
121.06470	4.9
121.10114	19.3
121.99294	1.5
123.08031	3.6
123.11677	15.5
125.05973	2.6
125.09609	16.0
133.10106	10.7
135.08040	4.6
135.11659	2.4
135.96976	2.9
137.09558	2.5
145.00905	1.6
145.10118	1.8
147.04388	1.4
147.11644	2.0
149.05975	4.0
149.09558	4.5
149.13220	12.9
151.11160	65.2
153.06938	1.4
153.09081	10.5
163.01868	2.2
163.03922	1.8
163.07494	2.5
163.11089	1.9
163.14803	2.5
167.14290	100.0
173.13211	5.6
177.05421	5.7
181.12234	2.3
181.98839	2.3
191.06946	2.9
191.10608	2.1
191.14267	8.8
194.02097	1.4
209.04346	4.7
209.06277	1.9
209.08037	5.3
209.09727	3.2
209.11624	3.9
209.13544	2.8
209.15324	81.2
210.11107	2.4
210.15671	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	209.1532
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03931	1.9
55.01855	2.7
55.05502	26.0
57.03406	0.9
57.07066	5.0
59.04979	2.7
60.06594	0.7
60.69098	0.8
62.40545	0.8
63.19810	0.9
65.03931	1.0
67.05494	7.4
69.03407	3.2
69.07056	5.0
69.97021	4.7
70.56104	0.8
71.04977	7.6
79.05499	5.7
81.03393	1.1
81.07041	17.2
83.04968	31.7
83.08144	1.4
83.08604	17.8
85.02917	0.9
85.06519	4.5
91.05470	7.5
93.07022	11.4
95.04951	69.1
95.08585	10.6
95.93993	0.8
97.06516	9.0
97.10146	3.3
98.20818	1.0
99.04433	11.6
99.08062	2.2
105.07016	8.5
107.04974	1.8
107.07880	1.3
107.08579	19.8
109.06499	100.0
109.10135	24.9
111.04421	1.4
111.08052	8.1
113.09603	1.5
117.07021	1.8
119.08566	4.8
121.06512	2.1
121.10123	10.0
123.08035	11.2
123.11645	5.0
125.06020	1.4
125.09608	9.2
125.73576	0.8
131.08556	10.7
133.10104	25.0
135.08023	24.6
135.11584	1.5
135.97017	1.1
137.09604	1.7
139.11125	1.4
143.08513	1.0
145.10101	2.8
147.11649	2.4
149.05925	2.2
149.09557	3.3
149.13235	8.7
151.11157	17.1
153.09071	23.5
158.10782	1.8
163.11179	1.2
163.14783	2.0
165.12717	2.0
167.14294	25.6
173.13239	14.6
177.05446	2.3
191.06912	1.0
191.14272	30.1
197.36157	0.9
207.90440	0.9
208.68213	0.8
209.04317	1.3
209.07957	2.1
209.13406	1.7
209.15326	46.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03943	1.2
53.26658	0.5
55.01873	0.7
55.05504	17.0
57.03415	1.2
59.04982	1.1
65.03928	1.1
67.02451	0.6
67.05507	3.2
69.03416	2.3
69.07049	3.1
69.57021	0.6
69.57243	1.2
69.57652	2.5
71.04978	7.9
79.05482	2.0
81.07045	5.1
83.04970	16.7
83.08612	10.5
83.09104	0.6
85.06538	2.3
91.05460	3.1
93.07038	7.5
95.04953	100.0
95.08569	3.5
96.12076	0.5
97.06519	3.3
97.10153	2.4
99.04439	18.6
99.08061	1.8
101.92329	0.5
105.07000	3.8
106.04149	1.4
107.08574	9.9
109.06501	4.9
109.10142	8.1
111.08082	3.4
113.09626	0.9
119.08544	2.1
121.06490	2.4
121.10116	7.0
123.08063	1.5
123.11685	3.5
125.05952	0.9
125.09623	4.7
129.88823	0.6
131.08557	4.6
133.10104	13.2
134.03690	0.6
135.08020	2.5
139.11131	1.6
145.10085	1.5
147.11708	0.8
149.05949	3.8
149.09570	2.7
149.13226	3.3
151.11163	14.9
153.09079	28.1
158.10835	0.6
163.11160	0.9
163.14810	1.6
167.07002	0.6
167.10707	0.5
167.14287	19.9
173.13237	6.4
175.07591	0.8
177.05421	1.8
191.14262	5.8
209.04402	0.7
209.08075	1.6
209.11757	2.0
209.15324	27.6
210.15666	0.6
220.53621	0.5
221.03091	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1531
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94794	2.2
55.01852	6.6
55.05501	39.7
57.07058	3.9
59.04987	4.0
63.66497	1.7
67.05482	16.4
69.03389	5.2
69.07051	12.8
69.24813	9.2
69.25238	10.5
71.04984	10.8
78.04675	2.5
79.05481	14.0
81.07043	33.1
83.04482	3.5
83.04961	57.1
83.08606	17.4
85.02884	5.3
85.06503	4.9
91.05455	16.8
93.03398	5.2
93.06551	2.1
93.07027	22.2
95.01447	1.9
95.04948	100.0
95.08592	18.7
97.06516	18.8
97.10122	7.1
99.03856	1.9
99.04433	15.1
99.08057	3.1
100.11214	1.9
103.05431	5.2
105.07012	19.2
106.04140	14.8
107.04892	2.8
107.08575	34.6
109.06497	90.0
109.10133	30.5
111.04416	3.5
111.08076	13.1
113.09591	4.4
117.03365	2.4
117.06983	2.8
119.04858	2.2
119.08541	8.2
121.06489	22.2
121.09332	2.0
121.10128	30.2
123.08039	11.3
123.11676	8.0
125.05968	5.2
125.09606	17.1
131.08556	15.8
133.10114	49.4
134.03531	2.5
135.08037	23.6
135.11655	6.0
137.05949	2.9
137.09570	4.0
139.07475	3.1
139.11180	2.6
143.08546	3.0
145.02853	2.2
145.10136	10.5
147.11617	9.0
148.05107	2.8
149.05966	22.9
149.09579	8.6
149.13234	18.8
151.11157	22.6
153.09067	41.0
158.10896	4.7
163.07487	3.2
163.11130	3.3
163.14793	7.5
165.12727	2.2
167.07011	15.7
167.14297	42.1
173.13240	33.4
177.05460	12.9
181.08565	4.7
191.10590	3.4
191.14272	33.4
194.05672	2.5
209.08058	18.0
209.11948	2.4
209.15315	67.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0918
Annotation	Kynurenine
Peak:m/z	Relative Intensity
53.03922	0.7
55.01863	2.2
55.05502	5.1
56.96552	1.2
67.05495	1.9
69.03408	1.0
69.07052	3.3
69.44160	0.8
70.06580	4.0
70.07369	1.6
70.54180	2.5
71.01321	1.3
72.08144	1.6
73.59093	0.7
74.02426	25.0
77.03896	0.7
81.07032	0.9
82.85758	0.8
82.94820	1.1
83.04958	3.0
84.04487	2.3
84.08121	5.3
85.06515	0.8
86.09686	2.7
87.04469	1.6
88.02216	0.7
88.03991	2.1
91.05450	5.8
92.04992	1.6
93.07039	2.2
94.06553	100.0
95.04947	3.4
95.06891	1.1
95.08578	1.1
97.06506	1.2
99.00794	12.4
99.04421	1.0
103.03931	1.0
103.05458	2.3
104.04959	7.5
105.06998	1.0
107.04936	1.3
107.08586	1.8
109.06500	2.5
109.10149	1.7
112.08739	1.2
117.03360	1.1
118.06522	30.1
119.05016	0.8
119.08520	0.7
120.04448	29.9
121.06509	3.8
121.10122	2.2
121.61507	2.5
122.05988	1.1
123.97462	1.9
126.93812	0.8
128.04915	1.3
129.10191	0.9
130.08640	0.8
131.04910	2.7
132.04434	13.4
133.10069	0.8
135.04370	0.9
136.07549	39.9
145.02942	1.0
146.05984	78.9
147.06296	1.0
149.05951	3.8
150.05469	23.2
151.11140	1.8
153.09152	1.1
155.47034	0.8
163.03914	1.0
163.07460	1.3
163.08620	6.9
163.14725	0.8
164.07039	4.7
164.10724	1.0
167.07024	2.8
167.14297	3.0
167.96411	1.7
174.05478	31.7
175.11842	1.0
177.05457	7.3
181.06335	0.8
185.97427	2.1
191.07031	2.1
191.14317	1.7
192.06503	58.4
193.06818	1.0
194.00331	0.9
209.04482	1.7
209.07909	3.1
209.09335	4.6
209.12944	2.5
209.15381	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	209.0805
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
51.02370	1.3
53.03935	7.6
53.51079	0.8
55.01862	13.9
55.05505	5.3
57.03412	1.2
61.50095	0.9
61.66366	1.0
65.03925	10.2
67.05476	4.7
69.03384	1.1
69.07059	1.9
71.04968	1.9
75.04472	8.1
77.03880	1.3
78.04690	9.5
79.05476	7.7
81.03403	2.0
81.07030	4.2
83.04967	4.6
83.08604	2.5
85.02895	8.1
86.72981	0.9
89.03889	4.6
89.06029	2.5
89.37119	0.8
91.05468	39.2
93.03390	23.9
93.07033	16.1
95.04956	21.3
95.08588	2.8
97.06512	7.0
97.10146	1.2
99.04432	1.6
103.05448	17.1
105.03391	1.4
105.04475	1.9
105.07011	4.2
106.04153	75.5
107.04979	5.0
107.08570	3.4
108.05736	1.0
109.06489	8.3
109.10108	2.2
110.03658	1.2
110.07368	0.9
111.04437	1.7
111.08031	1.4
117.03338	4.8
118.04160	2.6
119.04926	4.2
120.05722	0.9
121.06481	73.1
121.10123	2.0
122.07258	1.5
123.04414	3.3
123.08021	2.9
124.05180	2.1
125.05975	18.9
125.09595	1.2
131.04913	4.9
131.08554	1.2
133.02812	1.7
133.06442	1.4
133.10100	1.3
134.03613	12.3
135.04362	2.9
135.08037	3.5
135.11694	1.1
137.05959	12.2
138.06754	2.0
139.07523	5.8
145.02831	6.4
145.10065	1.9
147.04399	2.1
148.05150	7.9
149.05952	100.0
149.13306	1.1
151.03867	2.4
151.07587	3.8
151.11166	3.0
152.08267	1.7
153.05498	5.3
153.09073	22.1
159.04379	1.9
163.07520	5.5
163.11147	5.0
165.05495	1.3
165.12718	1.8
166.06244	3.3
167.06967	2.2
167.14282	3.1
176.04698	1.1
177.05440	45.4
178.05675	1.0
180.07797	1.4
181.08574	22.3
191.07010	6.0
191.14273	2.8
197.16107	0.9
209.08043	24.3
209.15305	5.4
213.02428	1.0
213.08696	0.9
218.44566	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0804
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
51.01767	1.0
51.06189	1.0
51.41764	1.0
53.03940	7.8
55.01860	15.9
55.05504	6.1
58.58030	0.9
61.02903	1.1
65.03925	10.1
67.05481	5.3
69.03407	2.1
69.07055	6.0
69.07370	1.1
69.81151	7.2
71.04993	2.4
75.04477	8.4
78.04701	9.4
79.05468	9.3
81.03411	2.5
81.07029	5.2
83.04959	6.8
83.08602	2.0
85.02897	9.2
89.03909	5.6
89.06005	2.0
91.05463	41.5
93.03392	26.0
93.07024	20.7
95.04363	2.0
95.04944	27.7
95.08587	4.8
96.05745	1.2
97.06502	10.2
99.04419	3.5
103.05451	20.1
105.03371	2.6
105.04510	2.6
105.07005	4.6
106.04154	75.5
107.04951	5.5
107.08579	5.9
108.05668	1.2
109.06499	13.4
109.10127	4.5
111.04427	2.5
111.08076	2.9
116.01806	1.1
117.03349	4.3
118.04135	3.1
119.04900	4.3
120.05700	1.8
121.06487	75.6
121.10098	4.7
122.07269	1.7
123.04393	3.3
123.08026	2.8
124.05165	1.9
125.05968	18.3
125.09583	2.5
131.04909	7.5
131.05777	1.6
131.08551	3.0
133.02847	1.5
133.06485	1.4
133.10081	4.1
134.03627	12.6
135.04373	4.2
135.08009	5.3
135.11688	2.7
137.05963	11.8
138.06697	2.6
139.07491	6.0
145.02805	6.0
145.10120	2.6
147.04430	2.3
147.11664	1.4
148.05167	10.3
149.05957	100.0
149.13223	2.9
151.03911	2.2
151.07504	3.2
151.11130	4.8
152.08296	1.7
153.05470	6.9
153.09079	27.5
159.04347	3.4
162.03154	1.3
163.03893	2.1
163.07506	6.5
165.05461	2.4
165.12755	5.8
166.06267	4.4
167.06992	5.1
167.14267	4.0
173.13246	3.1
176.04648	1.6
177.05441	44.9
180.07762	1.4
181.08566	20.4
181.10010	2.0
191.07027	6.7
191.14287	5.2
194.05733	2.3
209.08066	29.0
209.13522	1.9
209.15343	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	4.7
55.01866	14.3
55.05489	5.2
59.04970	1.3
65.03933	9.9
67.05497	5.8
69.07050	1.1
69.16759	1.2
70.01189	1.1
70.19193	4.8
71.04984	3.0
75.04463	10.7
77.03902	1.1
78.04693	7.3
79.05481	9.1
79.98523	1.0
80.69814	1.1
81.03394	1.7
81.07042	5.2
83.01307	1.4
83.04963	4.0
83.08605	2.6
85.02888	7.6
89.03901	4.3
89.06013	2.1
89.47361	1.2
89.51720	1.1
91.05468	37.7
93.03392	24.9
93.07028	18.7
95.04948	30.4
95.08586	4.2
97.06518	15.2
99.04421	3.7
103.05452	16.8
105.03403	2.0
105.04507	3.2
105.06986	5.3
106.04157	76.8
107.04938	4.8
107.08577	6.9
109.06499	22.1
109.10125	4.3
110.03664	1.9
110.04397	1.2
111.04422	2.8
111.08054	2.8
117.03353	4.4
118.04141	2.4
119.04944	2.9
119.08552	2.1
119.72626	1.1
120.05676	1.6
121.06482	79.7
121.10106	5.7
123.04419	4.6
123.08052	3.7
124.05195	1.7
125.05970	19.0
125.09548	1.8
131.04919	6.7
131.08556	2.7
133.06458	2.1
133.10100	9.0
134.03622	12.9
135.04402	2.9
135.07997	3.7
137.05959	11.9
138.06731	4.0
139.07530	7.5
145.02788	5.6
147.11693	1.8
148.05156	8.5
149.05959	100.0
149.13242	2.4
151.03897	2.4
151.07533	3.0
151.11223	3.3
152.08345	1.6
153.01797	7.5
153.05481	6.5
153.09088	27.3
163.07506	6.6
163.11212	1.5
166.06250	4.4
167.07001	4.9
167.14229	2.3
168.02504	1.2
173.13232	4.9
176.04718	3.0
177.05444	46.2
180.07735	1.5
181.08560	23.5
191.07031	6.1
191.14220	7.3
199.64690	1.2
209.08061	40.3
209.09944	2.5
209.15306	13.8
224.30272	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0805
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
53.03923	4.7
55.01866	14.3
55.05489	5.2
59.04970	1.3
65.03933	9.9
67.05497	5.8
69.07050	1.1
69.16759	1.2
70.01189	1.1
70.19193	4.8
71.04984	3.0
75.04463	10.7
77.03902	1.1
78.04693	7.3
79.05481	9.1
79.98523	1.0
80.69814	1.1
81.03394	1.7
81.07042	5.2
83.01307	1.4
83.04963	4.0
83.08605	2.6
85.02888	7.6
89.03901	4.3
89.06013	2.1
89.47361	1.2
89.51720	1.1
91.05468	37.7
93.03392	24.9
93.07028	18.7
95.04948	30.4
95.08586	4.2
97.06518	15.2
99.04421	3.7
103.05452	16.8
105.03403	2.0
105.04507	3.2
105.06986	5.3
106.04157	76.8
107.04938	4.8
107.08577	6.9
109.06499	22.1
109.10125	4.3
110.03664	1.9
110.04397	1.2
111.04422	2.8
111.08054	2.8
117.03353	4.4
118.04141	2.4
119.04944	2.9
119.08552	2.1
119.72626	1.1
120.05676	1.6
121.06482	79.7
121.10106	5.7
123.04419	4.6
123.08052	3.7
124.05195	1.7
125.05970	19.0
125.09548	1.8
131.04919	6.7
131.08556	2.7
133.06458	2.1
133.10100	9.0
134.03622	12.9
135.04402	2.9
135.07997	3.7
137.05959	11.9
138.06731	4.0
139.07530	7.5
145.02788	5.6
147.11693	1.8
148.05156	8.5
149.05959	100.0
149.13242	2.4
151.03897	2.4
151.07533	3.0
151.11223	3.3
152.08345	1.6
153.01797	7.5
153.05481	6.5
153.09088	27.3
163.07506	6.6
163.11212	1.5
166.06250	4.4
167.07001	4.9
167.14229	2.3
168.02504	1.2
173.13232	4.9
176.04718	3.0
177.05444	46.2
180.07735	1.5
181.08560	23.5
191.07031	6.1
191.14220	7.3
199.64690	1.2
209.08061	40.3
209.09944	2.5
209.15306	13.8
224.30272	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	208.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.4
55.05499	2.7
56.05018	2.5
56.96567	5.9
57.03426	1.8
57.07053	2.9
58.06580	1.9
58.99571	6.5
59.07364	0.9
60.04509	2.3
60.05624	1.2
61.02914	1.3
65.03927	1.2
66.02322	0.7
67.05486	3.0
68.04998	0.9
69.03409	2.8
69.07058	84.8
70.06582	16.8
71.04974	1.3
71.42377	1.2
72.08138	7.0
73.02896	2.7
74.02422	1.5
74.06075	0.7
76.02220	18.6
79.05473	2.0
80.05006	1.6
81.03381	1.5
81.07037	2.5
81.95030	1.0
82.06570	1.6
82.94820	2.0
83.06077	2.2
84.04482	3.9
84.08131	24.0
85.02879	2.7
85.06535	1.6
86.06059	0.8
86.09692	5.7
86.99039	9.3
87.04466	1.0
87.08097	1.9
88.02199	2.8
88.03978	1.3
90.05536	1.9
91.05466	7.5
92.05798	7.4
93.04494	2.5
93.07032	1.8
94.06546	1.4
95.04956	1.4
95.06086	1.2
95.08588	1.0
97.02877	3.1
98.06037	1.1
98.97566	4.9
99.00771	0.9
100.03921	0.8
103.03917	0.8
103.05424	1.1
103.67852	0.8
105.00070	15.1
105.03367	1.0
105.07024	1.4
106.07338	0.8
107.04965	1.1
107.08548	1.1
109.06568	1.2
110.05967	1.2
110.07152	10.0
111.09125	0.8
112.07626	2.0
112.08690	1.7
114.09178	0.8
115.03867	1.1
115.08671	1.1
116.03316	1.9
116.07053	1.3
116.98589	3.4
118.03490	0.7
118.06508	1.9
119.01809	2.3
119.04926	5.0
120.04474	1.4
120.05252	10.6
120.08079	1.3
121.01664	1.4
121.06483	1.8
121.10120	1.1
122.02708	100.0
122.97694	1.7
123.97455	1.4
124.03956	0.9
124.07561	1.1
124.93901	0.8
129.10228	4.6
130.08621	2.6
131.01871	1.1
134.99690	1.7
136.07552	1.2
137.02890	1.3
137.05931	2.4
138.12721	0.7
142.98634	1.7
144.03273	1.3
144.06563	1.8
146.05977	2.3
147.04369	5.1
147.11327	0.8
148.04745	10.7
149.02626	1.2
149.05910	1.6
150.02740	1.0
150.05476	4.6
156.07637	1.6
157.03395	1.0
157.10834	1.2
158.04300	0.9
158.99640	1.4
160.95297	2.3
161.02907	2.7
161.95694	6.8
161.96941	1.1
162.03853	4.9
162.05472	1.3
162.09103	2.4
162.95872	2.1
163.06088	1.0
163.12300	3.0
165.05084	0.8
166.96712	2.3
167.96378	2.0
172.03937	0.9
173.02843	0.8
173.06219	0.8
174.13516	0.9
175.03867	2.2
175.11887	2.2
176.04236	18.2
177.00716	2.4
177.05547	2.2
179.07106	0.9
180.03677	0.9
180.06422	0.8
183.14935	1.9
184.97668	4.7
185.02954	3.1
185.04570	1.2
185.97438	5.3
186.04373	1.3
190.03291	1.1
190.08542	1.4
190.13263	3.2
191.03673	1.1
191.07144	1.7
193.04523	2.3
202.96327	1.1
203.03976	2.1
207.96181	2.2
208.04356	2.8
208.06761	10.8
208.08379	1.0
208.09796	13.3
208.13258	1.1
208.14342	5.7
208.16821	1.5
208.65375	1.0
209.04492	0.9
212.07692	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1376
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.95669	1.5
53.03922	1.6
55.01838	2.0
55.05482	6.6
57.01621	1.3
57.03424	1.6
57.07043	2.1
62.30172	1.5
62.30493	1.5
65.03915	2.8
67.05491	10.4
69.03392	4.6
69.07047	8.1
69.89256	2.8
69.89660	6.9
71.04954	4.8
79.05485	7.5
81.07035	10.5
83.04953	6.0
83.08607	3.4
85.02885	19.6
85.06526	20.0
91.05457	14.0
93.07030	12.3
95.04944	12.5
95.08592	10.1
97.06508	20.8
99.08052	1.6
103.05426	1.7
105.07011	15.8
107.04874	1.5
107.08575	24.0
108.05700	2.0
109.06493	100.0
109.10126	10.9
111.08060	65.0
111.08849	2.5
113.05995	2.9
117.07063	1.7
119.04921	18.1
119.08565	24.3
121.06493	3.2
121.10130	22.9
123.04409	3.0
123.08053	21.5
123.11674	16.2
128.06195	2.8
128.88130	1.6
131.08548	6.6
133.06465	4.4
133.10097	13.3
135.08000	5.0
136.05200	1.7
137.05933	2.2
137.09578	10.2
137.13234	4.1
143.08524	5.1
145.10089	5.7
146.03571	2.8
147.04407	10.8
147.08015	8.0
147.11659	44.1
149.02293	3.2
149.09581	29.5
151.07512	38.6
156.09322	9.8
157.03922	1.5
159.08005	4.4
161.05942	6.2
161.09602	13.5
161.13232	13.7
163.03773	1.8
163.11143	3.4
164.04631	6.0
164.08318	5.4
164.11885	2.2
165.09111	6.6
165.12737	27.3
171.11647	21.0
174.10353	10.7
175.03874	9.3
177.09010	2.7
179.07042	8.1
179.10678	3.1
179.14330	2.0
189.09090	5.2
189.12694	48.6
192.04097	3.4
207.06512	22.0
207.13757	66.5
208.14218	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1376
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03933	2.1
55.05494	3.2
57.07051	1.8
59.02543	1.1
59.04991	1.9
65.03920	1.1
67.05492	6.8
69.03419	4.2
69.07047	3.4
70.14878	1.9
70.15294	2.8
71.04981	4.4
72.38358	0.8
79.05476	3.8
81.07045	13.4
83.04958	2.9
83.08595	1.3
85.02892	100.0
85.06538	6.1
91.05469	16.8
93.07023	5.5
95.04929	2.9
95.08589	9.3
97.06479	1.9
99.04424	1.0
103.05458	0.9
103.47424	1.1
105.07015	38.4
105.44718	0.9
107.04924	1.4
107.08567	9.3
109.06503	7.5
109.10146	4.4
111.08047	1.7
115.96409	3.1
116.97218	1.1
117.06978	3.6
119.04891	2.6
119.08562	35.1
119.53483	0.9
121.06465	2.2
121.10128	9.7
123.08044	9.6
123.11691	39.5
125.05956	2.7
128.06227	0.9
129.06953	2.3
130.06728	0.9
130.07748	3.3
131.08560	9.6
133.06453	5.4
133.10104	3.8
133.97446	3.9
135.08043	1.5
137.09608	6.9
143.08533	3.6
145.10091	23.0
145.94617	1.0
147.04390	2.2
147.08026	4.7
147.11667	40.7
149.09590	9.6
151.02934	1.1
151.07497	6.5
156.09340	9.2
159.08052	1.3
161.09618	2.1
161.13252	4.9
163.11154	3.2
165.12732	4.7
169.08522	1.0
171.11650	6.7
174.10387	2.6
175.03847	1.8
184.00079	1.2
184.99904	0.9
189.12706	17.9
192.04118	1.1
207.06445	3.5
207.09769	1.7
207.13774	35.7
207.17264	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.31817	1.5
55.01851	5.0
55.05494	11.6
55.50707	1.6
57.03416	3.6
57.07059	4.6
57.67514	1.3
59.04977	6.9
60.62070	1.6
61.42528	1.4
65.03926	3.9
67.05502	20.1
69.03421	11.2
69.07036	6.6
69.54178	9.1
69.54585	3.8
71.04971	6.7
77.03915	1.9
79.05058	1.9
79.05481	15.3
81.03412	2.0
81.07039	19.2
83.04945	7.5
83.08591	2.0
84.08131	1.5
85.02898	24.4
85.06521	7.8
87.04465	2.0
89.03927	1.9
91.05470	60.5
91.87263	1.5
93.07033	18.2
95.04957	16.7
95.08593	55.8
95.71895	1.9
97.06510	3.6
99.04426	2.6
103.05441	6.6
105.07014	50.1
107.04924	5.7
107.08573	48.2
108.05733	1.7
109.06507	19.3
109.10131	14.2
111.04445	3.0
113.05968	2.8
115.05474	3.7
116.06203	3.5
117.07029	8.4
118.04144	2.8
118.06556	1.7
119.04928	42.6
119.06821	2.3
119.08564	63.2
120.08077	5.1
121.02878	2.6
121.06513	14.9
121.08408	9.6
121.10122	31.1
123.04375	3.1
123.08045	36.8
123.11678	19.9
125.05930	2.4
125.09590	2.0
128.06223	5.8
129.06993	7.8
129.40654	1.6
130.07739	4.2
131.04907	4.0
131.08560	25.9
132.02037	2.1
132.05626	1.8
133.06448	5.4
133.10112	19.5
134.99667	1.8
135.04370	2.4
135.08031	39.0
135.11652	6.4
136.05179	3.3
137.05917	5.6
137.09581	7.3
139.11162	1.8
141.06952	4.4
143.08524	14.7
145.10103	15.8
146.03584	5.1
146.10835	2.3
147.04390	35.9
147.06273	2.7
147.08017	37.6
147.11667	43.6
149.02336	9.3
149.05971	3.0
149.09596	55.6
151.07529	17.6
151.14796	2.1
155.08519	2.9
156.09312	28.0
159.08029	3.5
159.11664	3.9
160.08746	2.2
161.05946	19.8
161.09601	12.3
161.13254	27.2
163.07516	2.1
163.11125	10.7
164.04686	13.7
165.09100	6.4
165.12737	18.4
171.11644	30.0
174.03105	4.6
174.10379	7.0
175.03883	31.2
179.06964	13.4
179.14285	2.3
189.05490	2.2
189.09145	11.2
189.12708	64.7
189.14441	3.1
192.04152	11.8
207.06497	56.7
207.08284	2.6
207.13771	100.0
208.06798	2.6
227.25520	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1375
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
52.14758	0.5
55.01859	1.3
55.05507	1.3
55.53952	0.5
57.03427	1.1
57.07070	1.3
58.59475	0.5
59.04987	0.8
65.03934	1.2
67.05489	4.1
69.03420	4.9
69.07066	1.6
71.04980	1.8
73.59507	0.5
79.05479	4.2
81.07041	11.6
83.04955	1.8
84.39194	0.5
85.02890	1.5
85.06541	2.1
88.83441	0.6
91.05458	11.1
91.06006	0.8
93.07017	4.7
95.04945	4.5
95.08595	9.4
96.87960	0.5
97.02885	1.2
97.06506	0.9
103.05445	1.2
105.07012	10.4
107.04929	1.9
107.08569	18.0
108.05715	0.7
109.06501	16.2
109.10114	2.7
111.08100	1.3
118.04192	0.5
119.04916	7.0
119.08562	6.6
120.05201	0.5
121.06461	1.9
121.10116	7.0
123.08042	14.9
123.08934	0.8
123.11681	3.3
124.67738	0.6
125.05967	1.3
125.09570	0.8
128.06219	0.9
129.06992	1.8
131.08525	3.4
133.06471	4.1
133.10112	2.3
135.08000	0.6
136.05186	1.3
137.05949	1.1
137.09555	2.8
139.11172	0.7
143.08607	1.4
145.10056	1.2
146.03595	0.7
147.04373	7.6
147.08029	2.1
147.11664	12.9
149.02298	2.1
149.09593	15.0
151.07515	100.0
152.07849	1.0
156.09338	1.7
157.03970	0.6
157.06474	1.6
161.05962	6.2
161.09657	2.9
161.13205	3.2
163.03925	1.0
163.11182	1.8
164.04677	3.5
165.09088	0.8
165.12740	10.0
171.11636	2.9
174.03067	1.1
174.10364	0.6
175.03842	4.7
179.07039	3.1
179.14290	0.7
189.09064	4.8
189.12712	8.1
192.04167	1.9
207.06490	12.4
207.10011	1.1
207.13751	26.8
208.16818	0.6
223.42999	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1375
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03927	1.5
55.05486	3.9
57.07049	3.3
59.04966	2.4
61.32672	1.1
65.08319	1.0
67.05495	7.0
67.74581	1.2
69.03421	7.7
69.07045	3.4
69.68259	4.4
69.68678	2.3
71.04960	4.0
79.05473	9.2
81.03362	1.7
81.07037	12.3
83.04948	2.3
84.36761	1.1
85.02889	53.6
85.06509	4.1
91.05465	14.6
93.07030	11.8
95.04937	4.0
95.08583	11.3
97.06503	1.8
103.05473	1.2
105.07008	35.0
107.04933	5.6
107.08583	12.3
109.06506	9.9
109.10107	4.3
111.08041	1.5
115.05391	1.3
115.96410	5.1
116.97266	2.2
117.07007	6.5
119.04906	3.3
119.08555	32.9
121.06476	1.7
121.10115	25.8
123.08045	12.6
123.11687	19.9
128.06190	5.1
129.06970	4.3
130.07756	4.3
131.08554	18.7
133.06444	3.7
133.10100	8.0
133.97438	5.6
135.08002	1.4
135.11684	1.5
137.09590	5.9
139.11115	2.5
141.06891	2.8
142.55843	1.3
143.08548	7.7
145.10078	13.3
146.10851	5.2
147.04347	3.7
147.08017	16.5
147.11658	54.1
149.09550	9.8
151.07509	8.2
155.08366	1.5
156.09312	18.8
156.98979	1.6
159.08035	4.4
160.08791	2.9
161.09567	2.3
161.13222	5.1
163.11160	8.6
165.12683	2.9
171.11658	10.5
173.09508	1.2
174.10376	12.2
175.03880	3.2
189.12704	50.5
189.16322	2.5
190.13052	1.4
192.09276	1.2
198.86049	1.1
207.06451	5.2
207.13750	100.0
208.09621	1.7
208.14125	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	207.1377
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.01858	0.8
55.05497	2.4
57.07055	1.7
67.05498	5.6
69.03397	1.1
69.07034	3.0
70.68078	2.2
71.04973	1.5
76.66520	0.8
79.05463	2.8
81.07048	14.3
82.68517	1.0
83.04956	1.6
85.02892	100.0
85.06509	1.3
91.05463	8.7
93.07018	5.1
95.04955	1.8
95.08599	6.2
97.06431	1.0
105.07015	18.2
106.52253	1.1
107.08577	8.8
109.06512	6.9
109.10134	12.6
111.04423	1.2
111.08028	1.1
117.07011	1.7
119.04895	2.2
119.08566	19.5
121.06448	1.9
121.10116	11.8
123.08036	4.5
123.11687	61.6
125.05982	9.7
126.43407	0.9
129.06944	1.0
131.08571	5.7
133.06445	2.8
133.10094	1.7
137.05971	1.4
139.07596	0.9
141.05376	1.0
143.08542	2.0
145.09233	1.0
145.10109	11.2
146.10866	1.2
147.04352	1.6
147.07964	4.2
147.11664	21.8
149.09610	15.2
151.07516	4.8
156.09326	5.6
159.08026	1.3
161.09578	1.2
161.13223	2.5
162.90913	1.0
163.11148	1.9
165.12680	5.1
169.08575	1.7
171.11639	3.8
174.10312	1.8
175.03876	2.2
179.07013	1.8
189.12703	14.0
207.06453	3.3
207.13765	56.7
208.14064	1.4
210.54199	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1376
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16364	0.9
53.03933	2.7
54.90094	1.0
55.01855	3.6
55.05502	9.2
57.03402	1.5
57.07050	4.3
59.04969	1.5
64.54818	0.9
65.03916	4.4
67.05493	13.5
68.99778	1.1
69.03397	4.6
69.07053	11.2
69.07902	1.0
70.99129	2.7
71.04950	2.4
73.02876	1.8
77.03882	1.6
79.05475	16.7
81.03385	1.7
81.07036	25.4
83.04945	3.3
83.08596	2.7
85.02896	5.3
85.06516	3.7
91.05466	56.6
93.07024	23.5
95.04955	8.9
95.08591	21.6
97.06499	4.5
99.04423	2.0
101.05964	1.6
103.05488	5.8
105.03394	6.4
105.07009	50.2
107.04938	5.5
107.08574	35.0
108.05705	2.5
109.06497	13.9
109.10141	14.3
111.04404	1.6
111.08060	4.4
113.05988	1.8
117.06993	3.5
118.04143	4.1
119.04922	47.4
119.08558	52.9
120.05230	1.3
121.02776	1.6
121.06484	11.8
121.10120	76.2
122.10938	7.9
123.04418	4.8
123.08032	9.9
123.11691	19.2
125.05941	4.5
125.09587	2.0
127.07557	1.1
128.06152	2.6
129.06981	2.7
131.04889	1.5
131.08586	5.3
132.02068	3.0
133.06483	18.1
133.07503	1.2
133.10117	21.1
134.03690	1.5
135.04404	2.4
135.08058	1.7
135.11659	3.3
136.05191	9.0
137.05968	5.2
137.09581	5.6
138.06721	1.1
138.76826	1.0
139.07497	2.8
139.11104	2.1
143.08514	2.6
145.06467	1.2
145.10088	6.0
146.03566	6.4
146.07210	2.1
147.04385	40.0
147.08015	20.4
147.11656	26.9
149.02322	16.4
149.05936	2.9
149.09563	9.5
151.07510	28.1
156.09262	2.9
157.03911	3.0
157.06415	1.2
159.11679	3.1
160.08781	1.7
161.05946	18.6
161.09616	8.5
161.13226	100.0
162.13612	1.9
163.03860	4.5
163.11154	3.5
163.14795	1.6
164.04660	26.4
165.09084	1.9
165.12732	9.4
171.11624	6.8
174.03108	6.2
174.06743	1.6
174.10382	3.0
175.03876	35.2
176.04243	1.3
177.05423	2.2
179.07008	19.3
179.14351	4.8
189.09088	8.6
189.12708	39.8
189.16403	1.6
191.03395	1.7
192.04128	11.3
195.62781	1.3
207.06487	84.1
207.10043	4.7
207.13757	66.5
207.17348	2.9
208.06779	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	206.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
69.89178	3.5
69.89597	1.9
82.99836	2.1
98.21474	2.0
100.02443	2.6
101.00864	16.6
119.01896	68.5
120.02009	5.9
121.01620	8.7
121.02338	1.2
124.02459	5.0
132.46150	1.1
137.02930	23.7
138.03081	1.8
139.02603	2.6
142.03470	100.0
143.03656	5.6
144.03232	4.2
156.05176	1.2
160.04521	43.4
161.02980	5.5
161.04582	2.8
162.04332	2.6
165.05083	4.0
173.01067	1.1
177.00960	1.7
178.01024	1.8
179.00710	3.2
179.03926	1.3
183.06221	2.3
184.04504	5.5
188.99126	4.8
189.49147	1.7
191.49440	2.4
200.49918	16.1
201.00104	5.0
201.02425	2.4
201.49794	3.4
207.49431	1.1
212.00780	2.7
224.03886	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1012
Annotation	p-Methoxycinnamic acid ethyl ester
Peak:m/z	Relative Intensity
52.11412	0.2
53.03930	0.3
55.01857	0.7
55.05504	1.2
55.72760	0.2
57.03415	0.5
57.07061	0.6
59.04987	0.5
65.03924	0.9
67.05499	1.6
68.99812	0.2
69.03412	1.5
69.07056	0.6
71.04990	1.3
71.05958	0.4
71.06266	0.3
72.08137	0.3
77.03908	0.2
79.05475	2.7
81.03384	0.5
81.07037	3.3
83.01305	0.2
83.04954	1.2
83.08582	0.4
84.08097	0.3
85.02888	2.0
85.06524	0.7
87.04441	0.3
87.21577	0.2
89.03914	0.4
90.04679	0.2
91.05463	16.0
93.03387	0.3
93.07033	2.8
95.01302	0.4
95.04940	1.9
95.08581	3.6
97.06501	0.7
99.04443	1.4
101.00584	0.3
103.05457	1.8
105.03353	0.6
105.07008	8.5
106.95773	0.2
107.04925	2.0
107.08571	5.8
108.05694	0.5
109.06494	7.5
109.10126	1.7
111.04485	0.2
111.08073	0.3
113.05999	0.4
115.05432	0.7
116.06210	0.8
116.97240	0.2
117.06993	0.9
118.04140	2.9
119.04916	10.5
119.08561	5.1
120.08055	0.5
121.02859	0.4
121.06474	3.8
121.07343	0.2
121.10112	3.7
123.04420	1.0
123.08035	4.6
123.11706	1.5
125.05908	0.2
125.09603	0.4
128.06198	2.1
129.06976	4.5
130.07759	0.7
131.03906	0.2
131.04895	4.1
131.06976	0.2
131.08546	3.5
132.02046	0.6
132.05659	0.6
133.02821	0.4
133.06470	2.2
133.10110	3.3
134.03606	0.4
135.04402	0.4
135.08018	0.8
135.11662	0.4
136.05176	1.6
137.05977	1.4
137.09589	1.9
139.11159	0.8
141.06859	0.2
143.01610	0.3
143.08527	1.1
144.05690	0.6
145.06456	1.5
145.10095	1.6
146.03598	2.7
146.07237	5.2
147.04379	7.8
147.07996	2.1
147.11656	5.1
148.05168	4.3
149.02319	2.9
149.05975	0.8
149.09579	8.2
151.07506	7.2
151.08415	0.2
151.11165	0.3
156.09317	0.8
157.03937	0.5
157.06441	1.3
158.07162	0.2
159.04382	0.6
159.08044	0.9
159.11650	0.4
160.08853	0.7
161.05943	100.0
161.09569	21.7
161.13193	2.7
162.03238	0.3
162.06296	2.0
162.10008	0.3
163.03877	0.8
163.07487	0.6
163.11131	1.5
164.04646	4.2
165.09038	0.9
165.12729	2.8
171.08002	0.4
171.11642	1.6
173.05917	0.3
174.03087	1.2
174.06728	2.8
174.10393	0.6
175.03868	8.2
175.07420	0.3
177.05394	0.5
179.06995	4.3
179.10493	0.3
179.14333	0.5
189.09068	34.1
189.12659	6.4
190.09344	0.3
192.04115	2.9
207.06482	15.5
207.10074	5.6
207.13745	13.1
207.17084	0.3
208.06589	0.4
208.14142	0.3
209.17155	0.2
213.01848	0.2
217.99731	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1376
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.16364	0.9
53.03933	2.7
54.90094	1.0
55.01855	3.6
55.05502	9.2
57.03402	1.5
57.07050	4.3
59.04969	1.5
64.54818	0.9
65.03916	4.4
67.05493	13.5
68.99778	1.1
69.03397	4.6
69.07053	11.2
69.07902	1.0
70.99129	2.7
71.04950	2.4
73.02876	1.8
77.03882	1.6
79.05475	16.7
81.03385	1.7
81.07036	25.4
83.04945	3.3
83.08596	2.7
85.02896	5.3
85.06516	3.7
91.05466	56.6
93.07024	23.5
95.04955	8.9
95.08591	21.6
97.06499	4.5
99.04423	2.0
101.05964	1.6
103.05488	5.8
105.03394	6.4
105.07009	50.2
107.04938	5.5
107.08574	35.0
108.05705	2.5
109.06497	13.9
109.10141	14.3
111.04404	1.6
111.08060	4.4
113.05988	1.8
117.06993	3.5
118.04143	4.1
119.04922	47.4
119.08558	52.9
120.05230	1.3
121.02776	1.6
121.06484	11.8
121.10120	76.2
122.10938	7.9
123.04418	4.8
123.08032	9.9
123.11691	19.2
125.05941	4.5
125.09587	2.0
127.07557	1.1
128.06152	2.6
129.06981	2.7
131.04889	1.5
131.08586	5.3
132.02068	3.0
133.06483	18.1
133.07503	1.2
133.10117	21.1
134.03690	1.5
135.04404	2.4
135.08058	1.7
135.11659	3.3
136.05191	9.0
137.05968	5.2
137.09581	5.6
138.06721	1.1
138.76826	1.0
139.07497	2.8
139.11104	2.1
143.08514	2.6
145.06467	1.2
145.10088	6.0
146.03566	6.4
146.07210	2.1
147.04385	40.0
147.08015	20.4
147.11656	26.9
149.02322	16.4
149.05936	2.9
149.09563	9.5
151.07510	28.1
156.09262	2.9
157.03911	3.0
157.06415	1.2
159.11679	3.1
160.08781	1.7
161.05946	18.6
161.09616	8.5
161.13226	100.0
162.13612	1.9
163.03860	4.5
163.11154	3.5
163.14795	1.6
164.04660	26.4
165.09084	1.9
165.12732	9.4
171.11624	6.8
174.03108	6.2
174.06743	1.6
174.10382	3.0
175.03876	35.2
176.04243	1.3
177.05423	2.2
179.07008	19.3
179.14351	4.8
189.09088	8.6
189.12708	39.8
189.16403	1.6
191.03395	1.7
192.04128	11.3
195.62781	1.3
207.06487	84.1
207.10043	4.7
207.13757	66.5
207.17348	2.9
208.06779	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	205.9976
Annotation	Unknow
Peak:m/z	Relative Intensity
63.90547	1.4
71.45848	2.5
74.59865	1.5
84.08121	13.3
130.08607	11.6
205.99770	100.0
206.01643	4.1
206.10158	4.5
206.13873	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1947
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
51.60239	0.3
53.03938	0.4
55.01833	0.5
55.05499	3.3
56.68403	0.3
57.07065	10.0
57.94016	0.3
60.04512	1.7
61.04842	0.7
65.03922	4.1
66.92151	0.3
67.05491	2.1
69.03401	0.8
69.07048	4.5
71.54024	0.3
71.54445	0.6
72.93772	0.5
77.89377	0.3
79.05473	2.8
81.03393	1.1
81.07040	15.2
83.08607	2.5
85.02876	1.4
87.04450	0.3
88.02207	0.4
91.05454	2.4
93.03384	1.3
93.07025	13.6
95.04923	0.5
95.08584	7.4
97.02877	3.5
97.10141	1.4
99.04443	1.0
100.07587	0.4
105.06994	1.7
107.08573	8.3
107.19305	0.3
109.02870	2.0
109.06490	0.5
109.10136	5.6
111.04408	0.9
111.11658	0.5
113.96378	1.2
114.03741	0.4
116.05263	0.5
119.08534	0.5
121.02837	11.0
121.03936	1.8
121.06470	1.7
121.10117	34.6
123.11681	5.5
127.03875	1.1
127.05799	0.3
131.08514	0.4
131.97401	1.5
135.07977	0.6
135.11668	6.1
137.13177	0.3
139.03845	0.3
145.10086	0.9
149.02313	100.0
149.13231	13.0
150.02649	3.5
150.13512	0.4
154.98953	0.7
159.11641	0.7
160.04356	0.5
161.13194	0.4
162.10353	0.7
163.11067	0.7
163.14764	0.8
167.03397	2.9
177.12709	4.1
187.11186	0.5
188.06950	0.3
190.04948	2.6
191.14290	3.3
205.04947	0.6
205.08682	0.6
205.12222	5.5
205.14117	1.4
205.15842	0.6
205.19481	8.5
206.04543	0.4
206.08096	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1947
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03946	1.0
55.05505	7.4
57.07067	9.0
57.33547	0.6
60.04502	2.0
62.28854	0.7
65.03930	3.6
67.05495	7.7
69.03404	1.5
69.07055	16.0
69.59329	4.8
71.08603	1.4
72.93787	1.5
79.05477	9.7
81.03407	1.4
81.07043	47.9
83.08609	5.9
84.08142	0.8
85.02895	2.1
91.05459	5.1
91.51929	0.7
93.03368	1.1
93.07027	39.7
95.04947	1.5
95.08590	28.9
97.02879	5.1
97.10159	5.2
99.04437	1.4
100.07580	0.7
105.07020	4.0
105.07637	0.9
107.08574	26.5
109.02838	2.6
109.06490	0.7
109.10137	22.9
111.11699	2.4
113.96395	2.1
119.08559	1.5
121.02860	5.6
121.03931	1.1
121.06491	2.6
121.10120	100.0
122.10454	1.7
123.08075	1.3
123.11682	11.9
127.03909	1.0
127.05833	0.7
131.97438	1.5
135.11673	20.2
135.12695	1.1
137.13197	1.3
149.02316	64.3
149.13231	40.9
150.02644	2.2
150.13560	1.0
154.99069	0.8
159.11639	1.2
161.09601	1.1
162.10330	1.4
163.14752	3.2
163.83698	0.7
167.03333	1.8
177.12712	5.1
205.08644	1.2
205.12193	7.3
205.14142	1.8
205.15872	1.8
205.19478	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1179
Annotation	CHEBI:85894
Peak:m/z	Relative Intensity
53.62376	1.2
53.65461	1.2
55.01854	1.1
55.05495	10.1
56.05022	10.1
57.03411	4.8
57.07055	1.7
58.06590	67.8
58.88346	1.3
59.04984	2.6
60.04520	13.7
61.02898	4.5
69.03408	5.2
70.06571	3.0
70.32068	5.2
70.82944	1.2
71.04967	3.7
71.06091	2.9
72.04495	1.1
72.05308	1.9
72.06442	1.6
72.07751	1.5
72.08143	23.4
72.97387	1.2
73.02902	5.8
73.06529	5.0
74.02428	14.1
74.06068	1.1
76.07631	100.0
78.82447	1.2
78.95245	1.9
79.02950	1.7
80.05016	1.9
81.03391	3.4
81.07065	1.3
82.06564	71.5
83.04951	2.0
84.04492	80.9
84.08130	64.4
85.02885	12.4
85.08429	2.4
86.06033	1.6
87.04451	1.7
87.05572	1.5
91.05462	1.4
93.06995	1.5
94.92989	3.1
96.08102	3.4
97.02880	8.4
98.06055	2.0
99.04425	2.3
99.09178	5.2
100.07604	18.6
102.05512	3.6
105.06985	1.5
109.02859	4.5
110.05987	1.5
111.04391	1.3
114.09129	2.6
116.01672	1.6
116.07072	4.6
118.08639	4.0
119.01882	4.0
121.01629	2.5
121.02843	1.2
121.06446	1.9
121.10133	1.4
122.32669	1.2
123.09174	7.4
124.07581	18.2
127.03888	3.4
128.07059	40.4
130.04977	14.5
130.08617	41.0
131.94418	3.2
133.03398	1.7
141.10201	50.1
142.03351	1.3
142.08614	46.7
145.09714	3.5
146.08093	26.9
149.02287	9.9
156.04927	1.4
158.95486	38.4
159.11247	5.8
159.13206	6.5
160.04214	1.6
163.02652	2.0
163.10921	1.3
170.06613	4.0
170.08064	29.5
170.09566	1.6
175.02684	3.4
175.04587	1.4
177.12718	3.0
181.97862	3.4
187.02658	3.2
187.10748	61.4
188.03798	1.9
188.07477	2.8
188.09155	40.9
204.96045	10.4
205.06625	4.9
205.08557	3.3
205.11845	32.8
205.13744	14.9
205.15697	2.5
205.99792	12.0
206.10260	6.0
223.04672	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	205.122
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
50.46479	1.0
50.70184	0.9
52.85934	1.0
53.03920	3.9
55.01852	3.3
55.05486	4.6
55.05725	1.0
55.79878	1.1
57.03414	2.2
57.07049	4.3
59.04980	1.5
60.04499	1.8
63.09168	1.0
65.03918	3.9
67.05492	21.0
69.03417	8.8
69.07059	14.0
70.02851	1.0
70.65476	2.1
70.65844	2.6
71.04958	2.7
73.02892	1.2
79.05473	11.8
81.03395	4.9
81.07041	15.1
83.04963	8.1
85.02863	4.7
85.80937	1.0
86.09684	1.3
91.05466	23.5
93.07025	27.9
95.01314	18.8
95.04952	31.2
95.08566	4.3
97.02866	6.1
97.06521	2.2
99.04432	4.3
103.05423	5.6
105.07009	42.0
107.04955	6.9
107.08574	14.5
109.02855	4.1
109.06499	5.8
109.10124	5.1
111.04412	4.6
113.05986	1.4
115.05428	6.7
116.06238	1.4
117.06992	22.1
118.06533	2.2
119.08556	50.7
120.08055	2.9
120.09370	2.7
121.02842	2.6
121.06485	26.4
121.10114	11.0
123.04409	25.0
123.08025	3.8
124.05111	2.5
127.03851	3.0
128.06178	3.3
129.06990	9.1
130.07739	5.8
131.04875	2.3
131.07570	2.3
131.08539	31.1
133.06462	3.0
133.10121	9.4
135.04320	1.9
135.08009	7.8
135.11639	1.5
137.05939	10.2
137.09601	1.2
141.06985	2.2
142.07756	1.8
143.08476	4.5
144.05701	1.4
144.09290	15.9
145.06456	18.0
145.10092	27.2
146.05974	4.9
147.08031	5.5
149.02299	17.6
149.05951	52.9
149.09589	2.5
149.13193	2.2
154.07710	1.4
157.06413	1.3
157.10069	3.9
158.07237	3.7
159.08073	13.2
159.11661	100.0
160.12010	2.1
161.09599	3.4
161.13248	6.1
163.07529	10.8
163.11172	7.1
169.10120	4.1
172.08807	7.5
177.09048	3.3
177.12729	12.8
181.97923	1.5
187.11130	25.5
188.07002	4.3
205.04892	2.2
205.12193	54.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1583
Annotation	Khusimone
Peak:m/z	Relative Intensity
53.03932	1.0
55.01852	0.5
55.05492	2.7
57.03415	0.8
57.07064	2.9
59.04966	0.6
60.04503	1.1
61.02921	0.7
65.03915	0.8
67.05479	1.8
69.03407	1.1
69.07043	1.9
71.04975	21.2
71.11797	1.0
78.95245	0.6
79.05462	3.1
81.03389	1.3
81.07034	8.2
82.41456	0.4
83.04952	0.5
83.08575	0.4
83.25166	0.4
84.04469	1.0
84.08104	2.0
85.02869	1.5
85.04819	0.6
91.05449	5.6
93.07024	9.6
95.04947	2.5
95.08585	15.7
96.94331	0.5
97.02891	3.1
97.06501	1.4
97.59274	0.5
98.09666	0.8
99.04416	0.9
99.08063	1.0
100.07578	1.6
103.05388	0.5
105.07007	30.3
106.07259	0.4
107.08570	9.4
109.02859	2.5
109.06467	1.8
109.10154	2.6
111.08057	2.4
113.09615	15.2
113.96354	0.6
114.55910	0.4
117.06968	2.1
119.08553	12.9
121.02829	1.8
121.06476	2.1
121.10108	8.5
123.07988	0.5
123.11722	0.6
125.09547	0.5
127.03929	0.8
127.05834	1.3
129.06947	0.7
130.07739	0.8
131.08533	11.7
131.97406	0.9
133.10081	1.0
135.08028	1.3
135.11653	1.7
137.09526	0.7
139.05806	2.0
141.24886	0.4
143.08514	1.0
145.06496	0.7
145.10086	22.1
147.11652	33.0
149.02307	13.7
149.09576	1.6
149.13226	1.3
159.08109	0.8
159.11653	5.7
160.04199	0.7
161.13232	4.7
162.10396	0.8
163.11150	1.0
163.14780	2.8
163.96803	0.5
173.05991	0.5
175.46678	0.4
177.12700	4.7
177.16399	0.5
179.85265	0.5
181.97827	0.9
187.14772	35.7
188.07127	0.6
188.15125	0.8
190.09755	0.8
205.04883	0.7
205.12196	5.3
205.15828	100.0
206.07904	0.8
206.16150	1.9
215.97108	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.5
55.01852	2.7
56.05002	1.7
56.96553	33.4
57.03428	51.8
57.07072	1.7
59.04979	2.3
60.04499	3.9
61.02912	17.0
63.92938	3.5
69.03421	29.3
70.06571	1.9
70.87033	2.8
70.87364	1.9
71.01346	1.7
71.04982	3.4
72.08139	3.8
73.02903	100.0
74.03250	3.4
74.06055	1.6
78.95258	11.0
79.02947	1.7
81.03400	5.2
82.06580	2.3
83.04967	1.4
84.04469	2.2
84.08122	5.1
84.96020	9.2
85.02887	17.0
86.09698	3.9
87.04455	1.9
91.05456	2.3
93.07012	2.6
97.02270	2.8
97.02876	25.3
98.97565	50.0
98.98190	3.1
99.04439	3.9
101.00814	1.5
103.02267	1.6
105.07022	2.0
109.02872	5.1
110.01247	2.4
110.07134	2.3
110.97550	12.2
112.02788	1.6
112.99115	8.0
115.00687	3.8
115.03933	8.3
115.33476	1.3
116.98602	21.2
118.02846	2.1
119.01845	7.8
119.97903	11.5
119.98650	2.1
120.08102	1.6
121.01657	3.3
121.06494	2.8
122.94206	4.0
123.02084	2.4
127.03878	4.1
128.07066	1.9
128.98578	16.2
128.99426	2.0
131.00154	8.1
131.01874	3.7
131.08545	2.1
131.94406	2.1
133.01717	12.7
134.99657	4.5
138.79724	1.5
139.03314	5.5
140.95209	3.0
142.03450	1.6
142.08617	1.4
143.00166	3.6
144.98024	2.1
145.04950	2.2
146.99617	8.6
148.03835	61.9
148.54034	4.6
149.01195	3.2
149.02344	10.6
149.13184	1.3
151.02725	10.2
152.98555	3.3
154.03613	2.8
157.04390	32.0
157.54535	3.2
158.95383	18.8
158.99609	10.0
159.03212	1.6
159.11703	3.5
159.13196	3.1
159.54642	5.0
160.04245	3.5
161.01215	6.0
162.03630	5.9
162.99158	2.5
163.02756	2.9
163.11198	1.8
163.96794	11.2
166.04831	1.4
167.02786	4.1
170.99648	6.4
175.02728	7.7
176.03337	4.0
177.00687	8.9
177.04248	1.5
177.12706	5.6
179.02226	2.7
181.97833	16.0
187.02721	3.6
187.10840	2.3
189.00668	5.4
193.03833	5.6
199.99828	1.6
204.96054	4.4
205.03722	2.5
205.05411	30.7
205.08388	2.0
205.10437	1.4
205.11938	7.3
205.13858	9.0
205.55659	2.5
214.05949	13.2
214.56143	2.1
217.03845	4.0
219.01730	24.0
223.04762	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	204.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99641	0.5
53.03937	1.0
55.01866	1.1
55.05502	1.3
56.05030	3.6
57.07076	0.7
60.04517	10.0
61.02921	7.7
68.05021	2.1
69.03429	3.4
70.06579	1.8
70.25378	1.1
71.04987	0.9
72.04509	0.9
74.04135	0.5
80.05014	2.0
80.84196	0.6
81.03416	4.3
82.06582	1.2
83.01337	0.8
83.04964	0.8
84.04495	93.5
84.38532	0.6
85.02892	1.6
96.04479	20.5
97.02874	6.2
98.06042	13.0
98.06653	0.7
99.04449	2.2
100.07603	0.7
108.04493	1.7
109.02876	7.0
110.06009	1.1
114.05536	2.4
122.06087	0.7
124.03934	1.4
126.05502	97.2
127.03893	3.2
127.05865	1.1
134.96292	0.9
138.05482	100.0
143.48315	0.6
144.06538	28.9
149.02338	1.9
168.06534	16.3
186.06027	0.8
186.07582	6.6
189.11469	1.6
204.06706	1.3
204.08649	15.0
204.10457	1.3
204.13820	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	204.0864
Annotation	N2-Acetyl-L-aminoadipate
Peak:m/z	Relative Intensity
53.03936	0.9
55.01866	0.9
55.05508	0.5
56.05027	2.6
57.83530	0.4
60.04515	9.0
61.02916	8.6
68.05011	1.9
69.03416	3.1
69.87591	2.1
70.06573	1.7
71.01321	0.5
71.04972	1.1
72.04507	1.2
80.04998	2.2
81.03407	4.5
82.06580	0.8
83.01305	0.7
83.04973	0.8
84.04490	93.0
84.08112	0.4
85.02880	1.3
85.04813	0.5
96.04476	18.8
97.02875	6.4
98.06038	12.6
98.21317	0.5
99.04449	1.7
100.03983	0.8
103.78269	0.4
108.04464	1.2
108.19898	0.4
109.02852	5.7
110.06039	0.4
114.05523	2.5
116.07084	0.6
124.03960	0.8
126.05495	99.7
127.03897	3.4
127.05843	1.1
134.96262	0.6
138.05476	100.0
138.86594	0.4
139.05786	0.9
140.07033	0.6
144.06537	27.7
149.02359	1.1
156.06555	0.4
162.07590	1.0
167.34937	0.5
168.06529	15.1
186.07582	7.8
188.10727	0.7
189.11473	0.8
204.08650	16.1
204.13780	5.2
208.03348	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1791
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03934	1.4
55.05496	7.4
57.07047	5.0
60.04510	18.1
67.05496	13.2
69.07055	14.2
69.22906	10.6
70.06602	1.4
70.84748	1.2
71.08598	1.2
72.30198	1.0
79.05490	6.7
81.07042	26.6
83.08588	3.4
84.04502	5.6
84.71057	1.0
85.02881	1.7
91.05456	16.9
93.07034	12.0
95.04919	1.8
95.08588	34.8
96.04484	2.9
97.02870	3.5
97.10059	1.2
98.06048	1.5
105.07008	100.0
105.72669	1.1
106.07391	1.6
107.07880	1.2
107.08575	19.8
107.77648	1.0
109.10137	29.1
114.05491	2.5
116.83638	1.0
117.06989	2.0
119.08562	52.9
120.96470	2.5
121.10126	15.2
123.11668	6.9
126.05500	8.3
129.13870	1.5
131.08517	3.1
133.09105	2.1
133.10103	42.6
134.96201	2.7
135.11678	4.1
144.06551	2.3
145.10062	4.3
147.11656	80.1
148.12003	1.6
157.10168	1.9
159.11661	2.4
160.12447	1.7
161.09517	1.6
161.13217	25.7
175.14784	11.3
179.97722	2.4
186.07643	1.4
202.99515	1.8
203.03378	1.3
203.05272	1.3
203.07037	4.5
203.10693	4.3
203.14236	5.8
203.17917	99.0
204.06952	1.3
204.08549	6.2
204.13838	9.0
204.18254	1.8
214.93608	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1388
Annotation	Ala-Leu
Peak:m/z	Relative Intensity
55.05508	1.1
56.05029	2.8
57.03433	0.7
57.07068	25.0
59.78835	0.6
60.04516	1.7
60.79513	0.6
69.03414	0.7
71.16010	1.1
72.08151	7.0
74.09710	100.0
83.06108	1.8
84.04494	89.5
84.08126	1.6
85.02901	4.8
85.04819	0.7
86.09695	1.6
95.01345	1.1
102.05521	5.4
112.11201	0.6
115.05408	0.7
130.04988	36.2
132.10161	0.8
147.11716	0.7
149.03540	0.6
149.86697	0.6
157.10205	0.7
157.13347	22.8
185.12802	0.8
186.11234	80.8
203.08406	1.1
203.10692	3.0
203.13885	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30326	0.3
55.01858	0.4
55.05498	0.3
56.96551	0.8
57.03427	1.5
59.04985	0.5
60.04521	3.2
61.02909	0.6
63.08988	0.3
69.03420	1.0
69.07058	1.0
70.06581	7.5
70.48248	0.9
71.04989	1.8
71.06101	3.3
72.08125	1.8
73.02908	1.7
77.38837	0.3
81.03403	0.6
84.04486	0.8
84.08136	1.4
85.02895	1.2
86.09692	100.0
87.10030	0.8
88.08730	2.0
90.05527	0.7
96.04475	0.3
97.02869	3.4
98.20845	0.3
98.97593	0.3
99.04447	0.6
100.07585	0.5
101.00863	1.2
108.02415	0.3
111.02905	0.4
112.11200	0.6
115.03150	0.3
115.03933	0.3
115.08672	1.0
116.07065	4.3
116.07840	0.4
116.98495	0.3
117.05571	0.3
119.01901	4.0
120.01962	1.5
121.01665	0.8
124.07573	0.3
127.03918	0.7
129.10201	0.3
130.06505	10.6
130.08649	0.4
131.01895	0.8
131.06911	0.4
132.03468	0.4
132.10191	0.8
133.09702	1.4
137.02913	1.7
138.03249	0.7
141.03932	0.4
143.01842	0.8
143.03563	0.6
144.03366	1.1
144.06590	0.3
145.03430	0.5
147.03951	0.4
147.80365	0.3
153.03986	0.6
155.01903	0.5
156.97473	1.1
157.03526	0.4
157.07587	21.0
157.13318	0.4
158.06044	0.4
158.08080	0.8
158.11731	0.6
158.12852	2.9
159.09131	0.4
161.02936	2.7
162.03047	0.9
165.03961	0.3
172.10777	1.7
173.02950	1.7
174.04402	0.6
174.98509	1.0
179.03952	1.3
179.99068	1.1
180.04050	1.5
181.03687	0.4
185.02943	0.7
185.07106	1.0
187.60191	0.3
191.03952	0.4
192.05579	0.5
198.00070	1.7
201.06163	0.5
203.03984	0.9
203.08127	18.0
203.13626	1.4
203.15341	4.6
204.08601	1.5
204.13420	5.4
221.05061	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.6
56.05006	0.4
58.06585	1.6
67.56421	0.3
70.06579	27.4
70.47432	1.4
72.08137	0.4
74.02432	0.7
80.73286	0.4
82.06554	2.5
84.08126	1.6
87.09226	1.0
95.95140	0.3
96.08110	8.8
98.06048	0.6
98.09673	85.6
99.10002	0.9
100.11252	0.4
108.08108	1.2
111.09183	8.5
114.09135	5.7
115.08672	1.3
116.07076	1.0
124.07569	1.8
126.09152	0.9
128.07021	0.4
137.10698	2.5
142.08606	91.1
143.08952	1.5
155.11771	7.6
157.09711	1.6
173.12836	1.0
183.11232	1.9
201.12302	100.0
202.12642	1.5
203.18672	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.0556
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93567	0.5
62.47245	0.4
70.06532	0.4
71.33363	0.7
82.99818	0.9
97.41879	0.4
98.97539	0.5
100.02465	0.7
101.00854	14.9
101.95031	0.6
102.01009	0.4
114.95650	1.7
118.03490	1.4
118.96768	0.6
119.01897	100.0
119.57494	0.4
119.96799	0.7
120.01982	1.9
124.02406	1.9
132.96677	1.5
137.02928	42.7
138.02986	1.1
142.03470	35.8
143.01852	0.9
143.03572	1.1
157.03319	0.5
160.04521	18.5
161.02922	21.3
162.03113	0.4
165.05028	1.1
178.05573	1.6
178.95944	0.8
179.03978	51.8
180.04147	1.4
184.04517	2.1
202.05566	3.4
207.85800	0.4
220.02003	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.1278
Annotation	N-Hexanoyl-L-homoserine lactone
Peak:m/z	Relative Intensity
53.00292	0.3
55.05505	0.4
56.05024	0.3
57.03428	0.5
58.06586	0.4
63.55314	0.2
67.05489	0.6
69.03409	0.6
69.07061	0.8
69.78111	1.2
70.02948	0.3
70.06570	0.5
71.08624	5.4
71.32151	0.2
72.04499	0.2
72.08128	0.4
74.02431	0.2
79.05502	0.2
82.06547	0.2
82.07330	0.2
84.04489	5.8
84.04973	0.4
84.08131	2.7
85.02890	12.2
85.08479	0.3
85.75385	0.3
86.09707	2.0
87.04449	0.8
88.11255	6.6
89.08108	0.2
95.01307	0.5
95.08589	0.6
98.06059	0.2
98.09656	0.6
98.97585	0.8
100.07592	2.8
101.07927	0.5
102.05528	6.4
104.03453	0.6
112.03966	1.4
112.11217	0.7
116.98606	0.9
119.05523	0.3
119.07333	0.3
119.08531	0.2
122.36681	0.2
124.07588	0.2
124.67619	0.2
126.09156	0.4
129.13818	0.4
130.04980	33.9
131.05244	0.3
132.06276	1.2
134.99648	0.5
136.06189	0.4
141.05145	0.2
145.05180	0.2
146.06004	1.5
154.08594	1.4
154.57301	1.6
155.11729	0.3
167.16173	0.3
172.09665	0.6
172.13315	2.8
177.57553	0.4
182.08043	0.2
182.66939	0.6
191.18196	0.3
200.12784	100.0
201.13145	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	200.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.05499	5.0
56.05013	2.8
56.05837	1.2
56.96550	2.7
57.03414	1.8
57.07056	1.3
58.06576	4.5
58.15222	0.8
59.04987	2.2
59.06921	0.7
59.93093	1.2
61.02916	6.2
67.05496	3.6
68.05000	1.7
69.03406	2.4
69.07053	4.1
70.06581	66.0
71.04585	1.5
71.04980	25.9
71.06917	1.4
71.52688	1.4
72.04498	3.1
72.08143	14.4
73.08500	0.7
73.95654	1.1
74.02428	1.6
74.06074	1.3
74.09695	1.8
75.10049	0.7
75.94601	0.6
77.94143	0.8
79.05473	2.5
81.03373	0.8
81.07040	16.4
82.06093	1.2
82.06552	8.5
83.08574	0.7
84.04492	1.3
84.07620	1.2
84.08130	23.5
85.02892	6.1
85.06535	1.0
85.08447	4.2
86.06038	0.8
86.09686	2.2
87.00798	1.4
87.08085	2.0
91.05433	1.2
93.07020	2.8
94.06579	0.8
94.07347	0.7
95.01311	1.6
95.04962	1.2
95.08581	2.8
96.08144	0.9
97.08868	0.9
98.06016	0.8
98.09684	6.7
98.96919	1.1
98.97569	20.2
99.10014	0.9
100.07600	25.1
100.08261	1.2
101.07930	4.6
102.05531	1.3
107.08589	0.8
108.08132	0.9
109.06490	1.0
110.09684	1.2
111.04386	0.9
111.08050	0.8
112.07578	1.4
112.11226	5.4
112.11910	0.9
113.09657	1.2
113.11580	1.2
114.98242	1.2
115.03884	0.7
115.50547	0.6
116.97281	4.5
116.98595	22.4
116.99442	1.1
117.07014	0.7
118.96743	15.2
118.97540	1.3
119.08563	1.4
120.10099	0.8
121.06490	1.1
122.06018	2.0
123.08010	0.9
124.07553	0.8
124.11208	2.4
125.11516	1.4
126.09146	11.6
126.12772	100.0
127.03887	1.2
127.10924	0.7
127.13152	1.0
129.10150	1.0
129.13870	1.9
130.06476	1.3
130.14226	1.1
131.99544	0.7
132.99245	1.4
133.99059	4.4
134.99634	27.2
135.99988	0.8
136.06178	6.7
136.07562	2.7
136.95334	1.2
137.05991	1.7
138.09134	0.8
140.07036	2.5
140.10672	2.2
141.01808	2.2
141.98280	1.0
142.12250	79.1
143.12538	0.8
148.97687	1.4
150.95706	2.4
152.96947	2.0
153.00708	7.8
153.96593	3.1
154.08603	31.0
154.14189	2.1
154.96434	5.4
155.06039	2.0
155.11810	1.8
156.13847	1.2
157.07600	2.1
158.01231	2.1
159.97002	1.2
164.07114	1.3
164.10695	0.9
166.15883	3.0
167.16261	2.5
168.06535	0.7
168.13814	14.4
168.17493	1.4
171.14902	0.8
172.97507	1.5
173.05937	1.0
175.98528	2.2
176.95943	0.7
176.98326	4.0
177.00694	1.9
177.98039	16.3
182.08037	4.1
182.11693	1.1
182.16370	4.2
182.66708	1.8
183.08450	1.2
190.67613	1.6
191.18292	1.2
191.68375	0.7
194.99895	0.8
195.01773	2.2
200.07315	1.1
200.09137	9.4
200.10851	1.1
200.12741	5.1
200.14673	9.7
200.16449	48.0
200.19267	2.6
201.03815	1.0
201.06728	3.1
201.12526	1.0
201.16805	1.3
202.95341	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0914
Annotation	L-Anticapsin
Peak:m/z	Relative Intensity
53.03939	1.5
56.05007	1.1
56.96547	1.8
64.20890	0.8
65.03930	1.0
67.05478	3.7
67.25052	0.8
68.05018	1.4
69.03419	5.5
69.07058	5.4
69.90346	4.4
70.06566	1.2
79.05485	2.1
80.04992	3.4
81.07030	3.5
82.06554	2.9
84.08131	4.4
84.43903	0.8
86.09679	2.7
91.05457	7.0
93.05750	2.7
93.07019	4.8
94.06551	19.6
95.04969	4.2
96.04469	2.8
96.08083	1.3
97.06519	2.0
98.77876	0.8
98.97569	14.1
106.06574	1.1
108.04438	1.9
108.08098	23.7
109.06508	3.3
110.06017	13.9
112.03950	3.3
112.07605	5.0
116.98598	13.3
117.05763	1.5
118.06524	3.3
118.96745	1.4
119.04948	1.4
120.08104	2.1
121.06457	2.8
122.06004	64.1
123.04385	1.8
123.06802	1.8
124.07563	3.7
126.09103	3.7
134.05989	1.8
134.99622	8.4
136.07550	66.9
137.05933	2.4
138.05484	1.3
138.09123	3.7
139.07506	4.5
140.07036	88.6
141.10146	1.0
153.00722	1.2
153.96674	1.2
154.05017	1.1
154.08600	53.3
156.06519	1.8
158.01346	1.2
164.07050	13.0
165.05466	1.3
176.98596	1.1
177.98013	1.3
182.08098	59.9
183.08376	1.6
200.09138	100.0
201.09502	1.1
207.87538	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.1278
Annotation	N-Hexanoyl-L-homoserine lactone
Peak:m/z	Relative Intensity
55.05499	1.1
56.05034	1.2
56.96547	0.4
57.03433	0.7
58.06590	1.3
58.57131	0.3
62.33712	0.4
67.05493	1.0
69.07048	2.1
69.37946	3.2
70.02965	0.4
70.06576	1.6
71.08612	6.3
72.04506	1.5
72.08124	1.0
74.09683	0.5
79.05476	0.5
81.07037	1.3
84.04489	11.4
84.08130	6.8
84.09866	0.3
85.02890	18.8
85.06531	2.1
85.08467	0.8
86.09689	4.1
87.00849	0.5
87.04463	0.8
87.10050	0.4
88.11248	1.6
93.07041	0.6
95.01297	1.8
95.04944	0.6
95.08601	0.9
98.09666	2.2
98.97558	2.9
99.09985	0.5
100.06970	0.6
100.07600	8.5
101.07936	1.0
102.05527	10.7
104.03442	1.6
106.59164	0.4
107.28894	0.3
109.02840	0.4
109.10181	0.3
110.09689	0.5
112.03941	2.1
112.07611	0.7
112.11237	2.2
113.11574	0.3
116.03464	0.7
116.97224	0.7
116.98598	2.1
118.96732	1.4
121.60388	0.3
122.05994	0.4
123.18062	0.3
124.07596	0.5
126.09177	0.4
129.13837	1.1
130.04980	82.9
131.05350	0.4
134.99677	2.1
136.06145	1.1
138.09135	1.9
140.07016	0.6
141.05417	0.5
145.06508	0.5
153.00664	0.4
153.96614	0.4
154.08536	2.0
154.96471	0.4
165.05472	0.6
166.15897	0.4
167.16264	0.4
168.17378	1.0
171.14969	0.4
172.09663	2.8
172.13313	1.2
176.98392	0.8
177.98093	1.3
182.02757	0.5
182.08102	0.7
182.11768	0.6
182.66968	1.6
191.18219	0.5
192.32350	0.4
200.12782	100.0
200.19125	1.4
201.05446	0.8
201.09103	0.4
201.13139	1.7
208.20518	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0226
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98625	0.4
55.05503	1.1
56.05027	3.4
56.96555	12.3
57.03431	1.0
57.07056	0.7
61.01123	0.5
67.05489	0.9
69.03401	1.5
69.07045	2.0
69.98544	2.3
70.06577	5.2
71.04956	0.7
71.95247	2.3
72.08154	2.1
73.02895	1.2
74.02422	1.9
74.06068	1.2
74.09698	1.4
74.73605	0.4
79.05457	0.6
80.05029	0.5
81.03384	0.7
81.07034	0.6
82.06553	3.1
83.05042	0.4
83.06104	0.6
84.04491	3.5
84.08129	5.3
84.50013	0.4
85.02889	1.1
86.09687	2.7
86.96981	0.4
87.00813	1.1
91.05430	0.6
93.07025	0.5
94.06551	0.9
95.04962	0.7
96.04477	2.4
96.08094	1.0
97.02872	1.7
97.06499	0.5
98.97566	90.8
100.02441	0.9
100.07601	4.3
102.05522	2.9
108.04472	1.0
108.08082	1.1
110.06037	2.3
110.07148	1.3
110.09693	0.5
110.97598	0.5
112.07585	1.3
114.05442	0.7
114.98219	0.5
116.98599	100.0
117.98912	0.6
118.03462	0.5
118.96736	2.2
119.01902	4.1
120.01983	0.5
121.01611	0.5
122.06011	4.0
123.03156	0.5
126.00744	0.7
126.09113	3.4
127.01537	0.6
128.07059	12.3
128.98553	0.6
129.10217	1.3
131.01859	1.5
132.99315	0.5
133.03438	0.9
133.99080	0.8
134.99632	78.7
136.03912	0.8
136.06157	13.4
136.07524	4.1
136.11166	0.5
137.02945	0.7
138.05469	1.8
139.04996	1.1
140.00200	2.8
140.07033	4.2
141.10225	0.7
142.03452	0.6
142.08591	0.6
143.01813	0.5
144.99802	0.7
147.03079	0.6
148.02089	0.6
149.02943	0.7
151.04457	0.9
152.97063	0.6
153.00679	18.6
153.96667	1.6
154.03236	0.9
154.08604	8.3
154.09709	1.1
154.12228	1.2
154.96423	1.1
156.05212	0.5
156.06499	2.6
158.01231	8.0
158.99596	1.4
159.01431	0.4
159.04326	0.6
161.02896	1.4
164.03355	0.6
164.07050	1.0
165.07393	0.7
168.01411	0.4
168.04889	0.4
172.04474	0.8
172.06267	0.7
172.09622	0.6
174.04260	0.5
175.98541	1.2
176.02266	2.0
176.98473	1.6
177.00670	6.5
177.02367	1.8
177.03999	0.7
177.98041	2.4
182.04538	2.5
182.08113	4.9
182.09872	0.7
182.11662	1.0
183.03468	0.6
183.08499	3.3
183.11156	0.7
195.01772	5.9
195.03444	1.0
199.18858	3.6
200.02078	0.7
200.03752	2.7
200.05635	0.9
200.07277	0.8
200.09077	8.2
200.10674	0.6
200.12720	4.7
200.19038	1.0
201.12448	0.8
201.71240	0.5
218.03281	0.6
218.05109	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52587	0.2
51.82532	0.2
55.05495	0.4
57.07058	1.6
58.06592	3.3
68.05022	0.6
68.36670	0.2
70.06579	15.3
71.23701	0.3
72.08144	0.3
79.05473	0.4
84.08121	2.4
84.76157	0.2
85.06511	0.5
87.09209	1.3
98.06039	0.7
98.09670	0.3
98.21359	0.2
98.97563	0.5
100.07603	2.4
110.08384	0.4
112.11222	0.4
115.08675	3.8
116.97173	1.1
124.11204	24.3
129.53644	0.2
140.04674	0.4
152.96886	0.4
153.13838	32.0
154.08612	0.4
154.14140	0.3
158.51883	0.2
166.15839	0.3
175.98482	1.3
181.66141	0.4
182.08107	0.5
199.14372	100.0
199.97046	0.3
200.14728	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1438
Annotation	Slaframine
Peak:m/z	Relative Intensity
55.05492	0.4
57.07062	1.4
58.06591	2.6
68.04996	0.8
70.06579	13.9
71.23415	0.3
71.23745	0.5
73.58415	0.3
76.66631	0.2
84.08143	1.5
85.06518	0.5
87.09190	1.2
98.06036	0.5
100.07589	1.5
115.08675	3.8
116.97202	0.6
124.11205	21.6
131.99519	0.5
140.04637	0.7
152.96899	0.2
153.13837	29.8
166.15910	0.4
174.11201	0.3
175.98534	0.6
199.14377	100.0
200.14729	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	200.0226
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98625	0.4
55.05503	1.1
56.05027	3.4
56.96555	12.3
57.03431	1.0
57.07056	0.7
61.01123	0.5
67.05489	0.9
69.03401	1.5
69.07045	2.0
69.98544	2.3
70.06577	5.2
71.04956	0.7
71.95247	2.3
72.08154	2.1
73.02895	1.2
74.02422	1.9
74.06068	1.2
74.09698	1.4
74.73605	0.4
79.05457	0.6
80.05029	0.5
81.03384	0.7
81.07034	0.6
82.06553	3.1
83.05042	0.4
83.06104	0.6
84.04491	3.5
84.08129	5.3
84.50013	0.4
85.02889	1.1
86.09687	2.7
86.96981	0.4
87.00813	1.1
91.05430	0.6
93.07025	0.5
94.06551	0.9
95.04962	0.7
96.04477	2.4
96.08094	1.0
97.02872	1.7
97.06499	0.5
98.97566	90.8
100.02441	0.9
100.07601	4.3
102.05522	2.9
108.04472	1.0
108.08082	1.1
110.06037	2.3
110.07148	1.3
110.09693	0.5
110.97598	0.5
112.07585	1.3
114.05442	0.7
114.98219	0.5
116.98599	100.0
117.98912	0.6
118.03462	0.5
118.96736	2.2
119.01902	4.1
120.01983	0.5
121.01611	0.5
122.06011	4.0
123.03156	0.5
126.00744	0.7
126.09113	3.4
127.01537	0.6
128.07059	12.3
128.98553	0.6
129.10217	1.3
131.01859	1.5
132.99315	0.5
133.03438	0.9
133.99080	0.8
134.99632	78.7
136.03912	0.8
136.06157	13.4
136.07524	4.1
136.11166	0.5
137.02945	0.7
138.05469	1.8
139.04996	1.1
140.00200	2.8
140.07033	4.2
141.10225	0.7
142.03452	0.6
142.08591	0.6
143.01813	0.5
144.99802	0.7
147.03079	0.6
148.02089	0.6
149.02943	0.7
151.04457	0.9
152.97063	0.6
153.00679	18.6
153.96667	1.6
154.03236	0.9
154.08604	8.3
154.09709	1.1
154.12228	1.2
154.96423	1.1
156.05212	0.5
156.06499	2.6
158.01231	8.0
158.99596	1.4
159.01431	0.4
159.04326	0.6
161.02896	1.4
164.03355	0.6
164.07050	1.0
165.07393	0.7
168.01411	0.4
168.04889	0.4
172.04474	0.8
172.06267	0.7
172.09622	0.6
174.04260	0.5
175.98541	1.2
176.02266	2.0
176.98473	1.6
177.00670	6.5
177.02367	1.8
177.03999	0.7
177.98041	2.4
182.04538	2.5
182.08113	4.9
182.09872	0.7
182.11662	1.0
183.03468	0.6
183.08499	3.3
183.11156	0.7
195.01772	5.9
195.03444	1.0
199.18858	3.6
200.02078	0.7
200.03752	2.7
200.05635	0.9
200.07277	0.8
200.09077	8.2
200.10674	0.6
200.12720	4.7
200.19038	1.0
201.12448	0.8
201.71240	0.5
218.03281	0.6
218.05109	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1325
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
51.11979	0.5
53.03917	1.6
55.01851	1.7
55.05499	18.3
57.03406	1.1
57.07068	10.9
58.06587	0.9
58.82473	0.5
67.05490	3.3
69.03403	1.2
69.07051	5.1
70.02865	2.6
70.06564	0.7
71.04964	1.4
71.08640	0.6
71.66605	0.5
72.04486	2.6
74.09706	8.4
75.94598	0.9
79.05460	2.6
81.07049	5.1
83.04962	8.5
83.08588	1.6
84.08118	3.7
84.08934	0.7
85.06525	5.1
88.01671	0.5
90.12844	0.5
90.66496	0.6
91.05479	2.9
93.07027	9.6
95.04946	1.8
95.08588	9.7
97.06512	4.5
98.09674	1.0
98.97546	0.9
99.72037	0.5
100.07597	8.2
103.05443	0.8
104.44877	0.6
105.07004	2.8
107.04913	0.8
107.08569	16.8
108.08846	0.7
109.06480	2.6
109.10131	2.2
111.04420	100.0
111.08049	3.7
111.11691	0.9
112.04734	0.7
112.11241	2.2
113.05975	1.6
114.59029	0.6
115.05390	0.8
116.97203	7.9
116.98585	1.5
117.06944	1.4
119.08558	1.2
121.06477	2.7
121.10110	2.5
122.07212	0.6
123.08032	1.4
125.05968	26.1
127.07535	3.1
128.06160	1.1
129.06969	1.1
129.13815	1.0
130.07758	1.6
131.99533	1.8
134.47191	0.5
134.99625	0.7
135.08028	14.0
135.09007	1.1
135.11662	18.6
137.13219	1.2
139.07506	3.6
142.07817	0.8
143.08542	2.1
145.10091	16.7
148.97639	0.6
151.20287	0.6
152.96904	1.9
153.06995	1.8
153.12712	5.6
155.08467	1.1
155.57874	0.5
156.09352	0.9
157.10129	1.0
158.15393	1.5
163.11150	22.3
166.15868	1.0
169.42064	0.7
170.98055	0.7
171.08014	1.0
171.11609	1.2
175.98503	8.0
181.12198	41.9
181.66187	0.9
182.12608	1.2
198.27907	0.6
199.00177	0.9
199.07523	1.6
199.11247	3.4
199.13031	1.0
199.14857	2.4
199.18869	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	197.1169
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
51.02359	0.9
53.03926	3.7
55.01860	1.6
55.05499	3.9
56.05024	1.6
56.33302	0.6
57.03423	1.7
57.07076	1.0
58.06597	3.8
59.04988	2.5
65.03915	0.7
65.93427	0.6
66.54632	0.6
67.05491	5.4
69.03395	1.2
69.07047	1.9
70.06582	6.0
70.12443	3.2
70.95506	1.1
70.95854	10.9
71.04985	1.1
72.04496	0.7
72.08139	2.3
72.93778	5.9
73.02890	0.9
77.03898	0.8
79.05480	8.2
81.03400	0.7
81.07040	6.2
83.04970	1.1
84.08119	7.5
85.06523	1.6
88.96873	1.9
90.94788	1.3
91.05468	11.8
93.06471	1.4
93.07029	18.3
95.04947	13.5
95.08582	3.2
97.02921	0.7
97.06487	1.4
98.09673	1.1
99.04410	0.8
100.07611	4.8
101.65381	0.7
105.03370	100.0
105.07007	20.4
106.03712	0.9
107.08570	48.3
109.06492	7.9
109.10145	5.6
111.98459	11.8
112.11255	3.1
113.06001	0.9
113.96357	1.6
117.07003	1.0
119.04953	1.6
119.08569	6.5
121.06506	4.7
121.10146	0.7
123.04397	5.6
123.08029	1.7
123.11702	2.5
125.05967	4.3
126.09149	1.3
126.12741	0.7
127.03874	1.0
129.99498	6.9
131.08569	1.9
132.95801	15.4
133.10104	53.4
135.08060	0.9
135.11664	42.6
137.05966	9.1
137.09578	5.2
140.14308	6.4
142.15900	4.7
143.08548	1.6
150.96858	30.9
151.03873	2.4
151.07487	1.1
151.11169	4.8
154.12250	1.0
154.15877	12.8
155.97391	16.3
161.09581	28.3
165.05504	1.0
168.17441	1.3
168.97914	1.4
173.98456	28.3
179.07304	3.9
179.10637	83.7
180.10944	1.3
197.00075	1.4
197.11694	70.4
197.16492	3.2
197.20039	4.8
198.11647	0.9
198.18478	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	42.5
56.05013	2.1
57.07067	27.5
57.70995	2.3
62.76968	2.1
67.05486	4.3
68.04980	2.1
69.07055	100.0
70.06570	3.1
71.08605	8.4
71.54725	3.1
77.56351	2.2
79.05462	3.9
81.03400	4.2
81.07027	6.4
83.06086	2.6
83.08132	4.1
83.08602	55.7
83.09101	3.1
85.07627	3.4
85.10156	6.7
85.50857	1.9
89.06011	38.7
91.05428	2.1
93.07021	2.6
95.06086	2.3
95.08593	4.5
97.10156	30.4
110.07159	5.8
111.11699	22.3
112.08700	3.7
118.28581	1.9
121.10126	2.8
125.13225	4.0
126.88421	2.3
133.02827	3.6
133.08589	12.6
135.04367	5.9
136.08627	2.8
137.07051	2.7
138.06598	3.2
139.07391	2.8
145.02789	17.4
149.05969	5.9
149.09590	2.6
154.09746	2.6
159.11665	2.5
163.03871	27.2
168.10172	27.7
177.05406	34.0
177.08942	3.2
177.16348	4.1
186.05424	3.2
187.24876	2.4
195.02910	3.7
195.06441	8.1
195.08344	4.5
195.12286	4.3
195.15742	6.5
196.09627	13.8
196.16948	6.3
204.97546	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	197.117
Annotation	(+)-Isololiolide
Peak:m/z	Relative Intensity
53.03942	1.4
53.24410	0.6
55.01856	4.4
55.05502	13.7
55.93529	0.7
56.10434	0.5
57.07069	0.6
65.03942	0.7
67.05500	2.5
69.03420	2.0
69.07055	0.9
70.06569	1.1
70.51993	2.0
70.95854	12.7
71.04992	0.8
72.08167	0.7
72.93784	5.4
73.02897	0.6
78.51519	0.6
79.05469	4.2
81.07038	17.5
82.75981	0.6
83.04972	1.5
84.08131	2.0
88.96892	2.6
90.94810	0.7
91.05472	3.6
93.07027	5.9
95.04945	3.0
95.08616	1.8
95.66988	0.6
97.06503	5.0
99.04439	7.2
100.07592	0.6
105.03363	3.1
105.07012	6.4
107.04961	1.1
107.08573	8.3
109.06501	10.3
109.10139	5.8
111.04443	1.5
111.98460	13.7
113.96372	1.7
115.05428	0.7
117.07028	0.6
119.08575	4.2
121.06481	2.6
121.10187	0.6
123.04434	0.7
123.11688	1.4
125.05970	72.4
126.06332	1.2
127.03897	26.0
128.06230	1.5
129.99472	7.4
131.97371	0.7
132.95810	18.5
133.10115	11.4
135.11671	5.1
137.05956	100.0
137.09576	11.7
139.07527	0.9
140.04858	0.6
143.08546	4.5
145.04947	1.8
150.96864	35.6
151.03891	2.1
151.11192	3.1
155.97395	16.5
161.09589	13.4
165.05403	0.8
168.97920	1.5
169.10399	0.8
173.98468	34.9
179.10640	28.2
191.99413	0.7
197.00053	2.1
197.05969	0.8
197.11691	26.4
198.11743	0.6
198.18512	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.174
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
55.01851	4.1
55.05500	15.6
57.07047	4.4
58.35934	1.0
59.04969	1.4
67.05495	7.0
68.96305	2.1
69.03415	10.9
69.07058	36.9
69.19313	12.8
70.05795	1.0
71.04969	5.2
72.93769	1.9
79.05486	6.8
80.84258	1.2
81.03418	1.3
81.06580	2.0
81.07047	27.6
83.04955	2.5
83.08601	13.9
84.65564	1.1
85.06512	4.3
89.03900	4.4
89.06029	5.6
93.07026	17.8
95.08594	47.5
97.06535	1.1
97.10162	8.6
98.21384	4.9
99.08080	56.3
100.08342	1.3
105.07010	2.5
107.08577	40.7
109.02829	1.4
109.10131	11.5
109.98953	2.7
111.08066	14.2
111.11704	2.7
112.40736	1.2
113.09602	5.3
113.96356	1.4
117.03370	8.0
119.08547	1.5
121.10124	60.7
123.11674	3.3
125.09602	30.1
127.99919	1.1
130.96303	3.2
131.96127	3.1
131.97417	1.9
135.04398	1.3
135.11673	14.8
137.13239	19.2
139.11151	2.7
145.02818	11.3
148.97322	8.1
149.05959	3.1
149.13223	4.4
149.97147	7.0
153.97859	3.6
154.97676	2.1
163.03885	17.3
168.10199	5.8
171.98927	8.2
172.98799	4.4
177.05437	22.9
177.16354	100.0
178.16742	1.8
195.02884	2.3
195.15643	2.1
195.17400	27.6
196.00252	1.2
196.09660	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	195.174
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
50.36304	1.3
51.79587	1.2
52.66736	1.4
53.03938	1.7
53.17241	1.1
54.01167	1.1
55.01856	3.0
55.05497	17.0
57.07060	3.7
62.94089	1.2
67.05503	7.5
69.03413	7.8
69.07056	38.4
69.99284	2.8
69.99670	3.2
71.04978	5.5
73.89114	1.4
79.05470	6.2
81.07041	29.4
83.04987	1.8
83.08601	16.5
85.06534	7.1
86.93292	1.6
89.03902	4.2
91.05479	2.9
93.07024	17.9
95.04999	1.6
95.07977	2.4
95.08588	48.6
97.10122	9.7
99.08076	57.8
105.07024	3.6
107.04961	2.3
107.08564	39.0
109.02897	1.8
109.10143	13.1
110.34316	1.4
111.08054	17.6
111.11704	4.0
113.09624	3.9
117.03358	8.3
121.10119	64.3
123.11671	4.7
125.09602	30.0
125.64791	1.3
129.62343	1.2
135.04451	1.5
135.11667	14.8
137.12254	1.1
137.13220	19.4
139.11136	3.5
145.02812	16.4
145.03851	1.7
149.05972	4.6
149.13246	5.9
163.03917	3.7
177.05446	24.8
177.16357	100.0
178.16696	1.3
191.40781	1.4
195.06543	2.3
195.17421	26.5
200.34744	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.174
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
51.32230	0.6
53.03926	1.9
53.51379	0.6
55.01857	1.1
55.05502	7.4
57.03419	0.6
57.07058	3.5
59.85146	0.6
65.03914	1.1
67.05490	5.7
68.99764	0.8
69.03423	0.8
69.07054	18.6
70.66313	0.8
70.66640	1.5
71.04987	5.1
71.47308	0.6
79.05470	8.3
80.18545	0.6
81.03391	2.8
81.07038	27.4
81.07522	1.3
83.04959	1.2
83.08603	9.1
84.08099	1.1
85.06508	1.5
89.03889	8.0
89.06014	1.3
91.05460	5.2
93.03374	1.4
93.07026	17.5
95.04932	1.9
95.08587	43.0
97.10150	3.6
99.08073	9.4
103.05405	1.2
105.07003	3.5
106.04134	1.2
107.04945	5.8
107.08569	36.7
108.18980	0.8
109.02856	2.2
109.06516	1.2
109.10136	8.2
111.04421	1.2
111.08035	2.1
113.09627	8.4
113.96379	0.9
117.03353	19.6
117.58255	0.6
119.08618	1.5
121.02820	2.7
121.06505	1.7
121.10117	48.7
121.74432	0.8
123.08026	0.9
123.11684	1.3
125.05972	2.1
125.09598	4.7
130.96259	1.2
131.96080	1.3
133.10109	1.1
134.03601	3.8
135.04384	4.6
135.11646	9.4
136.07553	0.7
137.13234	12.7
139.03864	0.8
139.11143	2.8
145.02815	37.6
146.03151	1.0
148.97302	1.3
149.05946	11.4
149.13202	4.3
149.97174	1.7
151.07489	2.2
153.05429	3.2
153.97835	0.7
162.03101	0.9
163.03886	9.3
163.07578	1.2
167.07053	2.0
168.10170	2.2
171.98915	2.7
172.98732	1.5
177.05438	58.6
177.16350	100.0
178.05777	1.9
178.16676	2.4
186.05424	1.2
195.02844	1.9
195.06461	5.5
195.08061	0.9
195.10153	1.7
195.17397	8.7
196.09630	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1741
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
55.05501	8.3
57.07061	3.8
67.05490	5.3
69.07058	17.7
69.43334	5.2
71.04978	4.6
71.08603	0.7
71.95233	0.9
77.03934	0.7
78.76623	0.6
79.05484	6.7
81.03408	2.2
81.07043	25.1
81.07525	1.4
82.06560	1.6
83.04961	0.8
83.08608	10.5
84.08138	0.7
85.06525	1.2
89.03904	5.0
89.06017	3.5
91.05455	3.0
93.07030	15.2
95.04941	1.3
95.08595	46.8
96.08913	1.3
97.10162	3.2
98.20801	1.4
99.08073	5.5
103.05447	0.6
105.07018	1.6
107.04937	1.2
107.08575	32.9
109.02911	0.9
109.10146	7.7
111.04389	0.7
112.96670	0.7
113.09642	8.0
113.96381	0.8
117.03355	14.3
119.08563	0.9
121.06571	0.7
121.10126	50.4
123.11694	0.9
125.05915	0.9
125.09602	4.3
131.96107	2.1
131.97380	0.7
134.03596	2.1
135.04404	3.9
135.11662	9.4
136.07498	0.7
137.13249	11.9
139.11171	2.0
145.02826	27.3
146.03218	1.0
148.97301	1.5
149.05974	6.8
149.13240	3.4
149.97192	4.6
153.05513	0.7
153.97879	0.9
154.97751	1.1
163.03882	21.6
168.10155	5.1
171.98944	1.4
172.98820	2.5
177.03857	1.4
177.05444	41.3
177.16360	100.0
178.05832	1.4
178.16730	1.8
186.05486	2.0
195.02852	2.8
195.06470	2.4
195.13948	0.7
195.15842	1.1
195.17427	9.3
196.00444	0.9
196.09663	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	195.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.6
54.43117	1.0
55.01859	4.5
55.05499	16.4
57.03416	1.3
57.07058	6.1
63.00677	1.0
65.03929	1.3
67.05492	8.3
69.03414	7.0
69.06673	1.9
69.07056	33.5
69.27364	9.7
71.04974	8.0
71.08607	1.4
75.31467	0.9
79.05480	9.5
81.03407	6.6
81.07040	31.5
83.04971	1.6
83.08605	14.5
83.15523	0.9
84.08157	1.1
85.06533	6.2
89.03902	8.8
89.06012	1.8
91.05458	4.2
93.07028	21.5
93.07621	1.4
95.04945	1.1
95.08589	54.1
97.06499	1.6
97.10145	8.8
99.08073	43.7
105.07016	3.4
107.04942	6.6
107.08576	38.3
109.02850	3.7
109.06483	1.4
109.10127	13.8
109.98927	1.3
111.08064	17.1
111.11678	2.9
113.09625	7.0
117.03365	21.1
119.05986	1.2
121.02833	9.1
121.10121	62.5
122.09650	1.1
122.10464	1.2
123.11688	3.4
125.06010	2.1
125.09616	24.3
125.13288	2.1
133.10153	1.2
134.03595	4.6
135.04396	4.3
135.08040	1.3
135.11662	16.6
137.13235	17.8
139.11156	4.9
145.02818	36.5
146.03140	1.8
148.97284	1.4
149.05948	8.7
149.09607	1.4
149.13234	7.0
150.09074	1.2
163.03865	9.6
167.07060	1.5
168.10159	3.1
172.98758	1.4
177.05437	56.9
177.16354	100.0
178.05783	2.4
178.16714	2.0
186.05536	1.4
195.02864	2.3
195.06503	3.2
195.08348	1.4
195.10141	2.3
195.13739	1.1
195.15643	1.4
195.17400	20.9
195.19110	1.6
196.09637	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.174
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03938	1.3
53.21693	0.9
55.01844	4.1
55.05254	1.7
55.05499	16.6
57.07058	4.7
59.04994	1.2
67.05492	6.2
69.03413	11.5
69.07053	41.3
69.19590	11.1
71.04980	8.9
76.21208	1.0
78.04701	0.9
79.05476	10.4
81.03399	3.3
81.07036	33.2
83.04956	2.0
83.08592	19.0
85.06526	7.1
85.42935	1.0
89.03896	7.1
89.06006	1.1
91.05464	4.2
93.07018	20.9
95.04922	2.2
95.08587	57.3
97.06519	1.4
97.10142	11.9
99.08071	47.7
105.07003	4.7
107.04930	5.7
107.08572	47.5
109.02862	2.2
109.10132	15.5
111.04444	1.3
111.08050	20.2
111.11692	3.2
113.09624	6.2
117.03360	17.5
119.08544	1.6
120.02359	1.0
121.10115	68.3
123.11684	4.5
125.09609	27.8
133.95392	1.0
134.03606	3.1
135.04384	3.7
135.08055	1.5
135.11642	19.4
137.13219	19.8
139.11151	3.9
145.02814	32.6
146.03136	1.2
149.05952	10.0
149.13216	7.9
153.05438	2.3
163.03883	8.0
167.07039	2.2
177.05435	47.5
177.16344	100.0
178.05621	1.4
178.16748	1.6
195.02974	1.3
195.06519	3.7
195.10173	2.4
195.15657	1.3
195.17400	26.8
195.19099	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	195.1739
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
54.62965	1.1
55.01850	4.8
55.05498	17.5
57.03411	1.7
57.07053	3.9
65.03924	1.7
67.05485	8.3
69.03420	11.5
69.07053	36.8
70.34457	4.1
71.04980	6.7
78.04678	2.2
79.05482	13.1
81.03410	7.0
81.07035	30.8
83.04955	2.6
83.08601	15.4
84.08112	1.6
85.06522	6.6
89.03900	14.9
89.05994	4.2
91.05450	8.2
93.03410	2.1
93.07024	20.7
95.04947	3.9
95.08589	51.8
97.06501	2.2
97.10164	9.0
99.08073	46.0
103.05438	3.9
105.07000	5.8
106.04177	1.6
107.04935	31.5
107.08572	44.1
109.02840	5.5
109.06492	1.5
109.10126	13.8
109.98936	1.6
110.03175	1.2
111.04414	3.2
111.07352	1.6
111.08056	17.6
111.11713	3.0
113.09606	5.2
115.05402	2.3
117.03355	38.0
119.04919	1.8
119.08477	1.7
121.06505	3.1
121.10116	66.3
123.04425	1.3
123.08045	2.8
123.11669	3.5
125.05955	4.1
125.09602	27.8
130.87262	1.3
130.96199	1.4
133.02841	2.9
133.08623	1.5
133.10112	1.8
134.03604	5.1
135.04375	9.9
135.08029	9.8
135.11667	15.8
137.05872	1.6
137.13210	20.7
139.11108	5.2
145.02812	73.7
146.03148	2.8
148.97270	2.5
149.05954	18.1
149.13225	6.5
151.07536	4.2
153.05391	4.0
154.06187	1.4
159.11646	2.2
162.03152	2.3
163.03865	19.2
163.07524	14.6
165.05444	2.1
167.07021	8.8
168.10123	2.4
171.98924	2.3
177.05434	100.0
177.08775	2.2
177.16350	96.7
178.05736	2.8
178.16666	2.1
195.01221	1.7
195.02870	4.2
195.06480	9.3
195.08400	2.5
195.10117	12.9
195.11656	2.1
195.13687	1.8
195.15781	1.5
195.17393	27.8
196.07130	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1741
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
55.01853	2.3
55.05496	10.0
57.07053	2.2
63.02371	1.1
65.03926	1.3
67.05497	6.3
68.96301	1.0
69.03404	3.3
69.07056	20.6
69.58988	3.4
69.59413	2.3
70.06572	0.8
71.04974	3.7
72.08131	1.6
79.05479	8.2
81.03412	5.3
81.07038	18.3
81.09148	0.7
83.04967	1.1
83.08613	7.4
84.08132	1.5
85.02869	0.9
85.06520	3.4
89.03896	13.1
89.06005	3.3
91.05457	3.8
92.07569	0.7
93.07030	12.9
95.04950	3.0
95.08591	26.7
97.06496	1.3
97.10148	4.7
97.36369	0.8
98.21452	1.5
99.08076	22.9
100.73839	0.8
103.05450	1.2
105.07014	2.4
107.04943	8.9
107.07867	1.7
107.08572	23.0
109.02869	4.1
109.06466	1.3
109.10134	8.1
109.98885	1.3
111.04430	1.5
111.08060	9.8
111.11720	2.7
113.09633	3.3
117.03355	31.8
118.03648	0.9
119.08586	1.2
121.02846	1.4
121.06481	3.0
121.10123	34.2
123.11702	1.9
125.05989	3.3
125.09614	13.0
130.96307	1.5
131.96106	2.7
131.97501	1.3
134.03593	5.1
135.04387	9.7
135.08049	1.9
135.11664	8.9
137.09628	1.1
137.13219	9.5
139.11165	2.8
145.02817	63.8
146.03148	3.2
148.97322	2.7
149.05954	19.1
149.09595	1.6
149.13232	3.2
149.97162	5.3
153.05467	3.4
153.97908	1.2
154.97760	1.8
159.11609	1.4
162.03072	1.8
163.03893	12.9
163.07599	1.1
167.07013	2.1
168.10121	4.0
171.98907	1.9
172.98792	4.1
173.06534	0.7
177.05437	100.0
177.12817	1.6
177.16353	50.9
178.05861	4.2
178.08673	1.0
178.16698	1.0
186.05421	1.8
188.84848	0.9
195.02872	2.4
195.06482	5.8
195.08127	1.2
195.10181	1.6
195.13753	1.5
195.17445	11.6
196.09674	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	195.1376
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
52.97693	0.9
53.03926	3.5
55.01846	3.8
55.05257	1.2
55.05502	16.9
57.03424	4.6
57.07054	1.4
59.04973	0.9
65.03909	2.3
67.05492	69.2
68.05798	1.1
69.03404	2.1
69.07056	18.4
69.96526	1.6
69.96927	3.2
71.01325	2.2
71.04986	7.0
72.54965	0.8
73.02879	1.1
74.20349	0.7
79.05479	40.2
81.03407	15.3
81.07042	100.0
83.04977	11.0
83.08601	14.7
84.08105	1.5
85.02854	1.5
85.06533	4.4
89.03884	3.3
89.06010	2.0
91.05466	35.0
93.07027	58.5
95.04948	8.0
95.08588	31.1
97.06512	12.8
97.10149	1.3
98.21485	0.9
99.04459	1.0
99.08035	2.2
103.05483	1.4
105.04502	1.2
105.07017	12.4
107.04953	4.0
107.07854	1.5
107.08575	30.5
109.02879	1.4
109.06487	3.5
109.10113	3.4
109.98916	0.9
110.39169	0.8
111.08072	5.1
113.05955	1.2
115.05375	0.8
117.03359	6.6
117.06997	13.8
119.08566	2.8
121.06495	6.1
121.10115	12.0
123.11680	3.4
129.06992	1.0
130.96283	1.0
131.08542	13.5
131.96080	1.0
133.02803	3.7
133.10107	26.9
134.03612	1.5
134.10417	0.9
135.04405	6.0
135.08025	5.6
135.11665	27.6
135.12694	1.5
139.11101	1.0
145.02826	13.9
147.11653	1.3
148.97366	1.5
149.05963	3.9
149.09552	1.9
149.13231	24.1
149.97194	1.4
150.13573	0.9
151.11143	3.4
159.11671	18.7
162.03236	0.9
163.03871	54.4
164.04155	1.9
168.10152	2.3
171.98909	1.7
177.05440	21.7
177.12718	13.6
180.09282	0.9
195.02887	2.1
195.06430	2.7
195.10109	0.9
195.11864	1.3
195.13754	26.2
196.09641	1.4
202.21507	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.065
Annotation	Scytalone
Peak:m/z	Relative Intensity
53.03943	0.5
53.40405	0.3
63.02361	0.5
69.68140	0.9
69.68547	1.7
71.04967	0.8
73.08893	0.3
78.04700	0.7
79.05494	0.6
81.03411	4.7
84.03241	0.4
84.08155	0.6
85.02879	0.6
89.03902	16.0
91.05479	1.9
95.04964	0.5
100.08279	0.4
103.05440	1.1
106.04176	1.0
107.04932	0.5
109.02862	2.9
109.98894	0.4
117.03362	35.9
119.04973	0.4
119.83613	0.5
120.09325	0.4
121.06473	1.0
124.05181	0.4
125.05989	0.5
127.03933	0.5
130.96353	0.5
134.03607	5.5
135.04375	5.0
145.02821	72.3
146.03078	0.4
148.97290	1.0
149.04765	0.9
149.05956	16.4
153.05472	1.1
153.97849	0.7
162.03116	1.5
163.03868	7.5
171.98932	0.8
176.13910	0.4
177.05440	100.0
178.05835	0.9
186.05486	0.6
195.06505	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	195.065
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65339	0.3
57.03427	0.3
63.02363	0.8
67.35316	0.4
70.64375	1.3
78.04692	0.5
79.05485	0.7
81.03410	2.4
81.81300	0.4
89.03904	15.5
91.05465	1.7
93.03390	0.6
93.06992	0.5
95.04965	0.7
99.04438	0.4
103.05469	0.9
106.04163	1.4
107.04958	0.8
109.02863	1.5
111.04481	0.7
117.03364	34.3
119.04935	0.6
121.02853	1.2
121.06490	1.2
125.05970	0.5
134.03610	5.2
135.04399	5.7
139.03856	0.3
145.02823	72.9
146.03201	0.9
147.04417	0.5
148.97435	0.5
149.05959	17.5
153.05502	1.1
153.97844	0.4
162.03117	1.2
163.03886	8.0
163.62483	0.3
171.98822	0.3
177.05443	100.0
178.05838	0.8
186.05418	1.3
195.06506	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	195.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.3
53.03920	0.5
55.01851	0.4
57.02046	0.3
62.01564	0.4
65.03912	0.5
66.02561	0.3
67.05497	0.4
67.31881	0.3
69.67679	0.4
69.96033	1.7
78.04695	0.7
79.05470	0.6
79.90604	0.4
81.03413	3.2
81.07042	0.6
84.08125	1.4
85.02860	0.4
89.03905	14.7
89.05998	0.6
91.05470	2.0
93.07020	0.9
95.04938	0.6
103.05450	1.2
105.06977	0.5
106.04147	1.7
107.04929	1.4
109.02851	2.2
109.98914	0.4
111.04420	0.7
117.03361	36.4
119.04922	0.5
121.06465	1.1
121.10123	0.8
124.05206	0.5
125.05994	0.8
130.96291	0.7
132.33286	0.3
134.03616	5.5
135.04396	5.2
145.02823	71.4
146.03174	0.7
148.97354	1.1
149.04773	0.8
149.05956	16.8
153.05418	1.6
153.97798	1.0
162.03075	2.0
163.03865	8.1
166.85995	0.4
171.98933	1.5
177.05443	100.0
178.05794	1.2
186.05438	0.8
195.06497	2.7
195.08174	0.5
195.10201	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.065
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
55.20594	0.4
61.25853	0.4
61.55431	0.4
63.02374	0.4
69.39612	1.4
69.40014	1.9
71.61536	0.3
78.04722	0.7
81.03398	1.2
89.03908	16.2
91.05477	1.5
93.03386	0.4
93.07073	0.4
98.20740	0.5
103.05483	1.1
106.04168	1.5
106.23258	0.4
107.04948	0.8
109.02869	0.7
117.03364	38.4
118.79609	0.4
119.04855	0.4
121.06478	1.1
125.05965	0.6
132.58560	0.4
134.03629	4.8
135.04378	4.4
138.49730	0.3
145.02829	72.6
146.03120	0.8
148.97321	0.5
149.05968	18.6
153.05437	1.0
162.03094	1.8
163.03879	6.9
177.05446	100.0
178.05797	1.1
186.05525	0.6
195.06450	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	195.0648
Annotation	Scytalone
Peak:m/z	Relative Intensity
53.03927	0.5
65.03913	0.6
67.09892	0.3
69.77993	0.5
69.78403	1.3
71.09227	0.3
77.93743	0.3
78.04688	0.5
79.05457	0.7
81.03413	1.0
81.07075	0.4
83.33236	0.3
89.03900	15.2
91.05473	1.6
93.07005	0.4
93.90439	0.3
95.04945	0.8
103.05462	1.0
104.98668	0.4
106.04152	1.0
106.79973	0.4
107.04938	0.5
109.02892	0.8
117.03357	35.0
121.06482	1.2
122.22527	0.3
124.05181	0.4
125.05930	0.4
125.98202	0.4
134.03612	5.3
135.04417	4.4
138.06509	0.3
138.84630	0.3
145.02815	67.9
146.03210	0.7
149.05951	16.3
153.05447	1.1
162.03114	1.2
163.03880	7.3
177.05435	100.0
178.05798	1.1
186.05478	1.2
195.06499	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.3
63.02365	0.7
69.74484	0.3
70.87004	0.3
70.87344	0.8
74.75298	0.3
75.88821	0.3
78.04713	0.7
79.05483	0.9
80.34278	0.3
81.03409	1.1
89.03898	17.2
89.06021	0.4
91.05457	1.8
93.07017	0.6
95.04935	0.7
103.05444	0.9
106.04150	1.8
107.04935	2.1
107.08611	0.5
109.02879	1.0
111.04456	0.4
111.83762	0.3
116.56879	0.4
117.03354	36.3
118.03706	0.4
121.06440	0.7
124.05230	0.4
125.05972	0.7
127.03837	0.3
134.03609	5.8
135.04388	5.2
145.02815	73.3
146.03171	0.8
148.97275	0.4
149.05946	17.6
153.05429	1.5
162.03069	2.0
163.03873	8.0
171.98920	0.5
177.05432	100.0
178.05763	0.9
179.37312	0.3
186.05502	0.8
195.06505	2.2
195.08142	0.4
195.10208	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1584
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
53.03909	0.6
55.05501	3.4
57.07061	1.3
67.05481	2.4
69.03396	0.5
69.07059	3.2
69.27641	6.4
69.86809	0.5
71.04990	3.3
74.68401	0.5
75.08023	0.6
77.24459	0.5
79.05478	3.4
81.07040	6.6
83.04961	1.4
83.08596	1.4
85.06519	1.6
90.35174	0.6
91.05454	5.5
93.07027	10.3
95.04930	0.9
95.08592	9.1
97.06525	0.6
99.08091	2.0
103.05453	0.6
105.07005	11.0
107.07849	1.3
107.08577	22.5
109.06509	1.3
109.10143	14.1
110.25224	0.6
113.09652	1.3
115.05424	1.0
119.08561	19.7
121.10108	2.5
123.08024	0.8
123.11694	5.5
131.08534	0.8
133.06491	2.9
133.10104	100.0
134.10454	1.5
135.11667	48.4
136.12053	0.6
137.09613	2.0
145.10060	1.1
147.11665	3.6
149.13258	1.3
160.12434	0.9
161.05952	4.6
173.13255	0.7
175.14795	44.2
176.15126	1.6
193.04956	1.0
193.08568	2.2
193.15846	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	193.1585
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
53.03930	0.9
55.05487	3.5
57.07051	1.4
67.05490	6.5
69.03397	1.0
69.07058	7.3
70.71888	1.1
70.72222	1.9
71.04980	7.6
79.05481	7.9
81.03412	1.7
81.07045	16.5
83.04963	0.9
83.08627	1.4
85.06525	2.1
91.05471	7.8
93.07027	17.6
95.04943	3.6
95.08592	28.4
97.06511	1.5
98.47975	0.9
99.08080	8.0
103.05446	2.8
105.07014	31.3
106.07394	0.9
107.08574	29.7
109.06490	2.9
109.10130	11.1
113.09612	3.4
115.05408	3.6
117.06972	1.5
118.04131	1.7
119.06005	1.0
119.08562	48.8
120.08891	1.0
121.10123	5.4
123.08049	3.2
123.11701	8.9
131.08575	1.2
133.06473	18.2
133.10109	100.0
134.10431	2.0
135.11668	63.2
137.05919	0.9
137.09599	6.7
145.10025	1.0
147.11646	6.3
149.13228	1.3
151.11186	1.2
161.05956	22.2
175.14796	63.6
176.15112	2.2
192.22623	0.8
193.04880	5.2
193.08559	8.8
193.12140	2.1
193.15865	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	193.1585
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
53.03932	0.7
53.94577	0.5
55.01852	1.0
55.05257	0.7
55.05503	7.1
57.07063	1.6
59.04990	0.9
65.03938	0.7
67.05489	4.2
69.07066	4.9
70.06557	0.7
71.01913	1.5
71.04982	6.1
71.91284	0.5
72.04502	0.9
79.05478	5.6
81.03388	0.8
81.07040	8.9
83.04974	1.3
83.08607	2.1
84.08115	0.6
85.06526	3.1
91.05463	8.0
93.07033	13.5
95.04977	2.9
95.08590	12.1
97.06517	1.7
99.04431	3.1
99.08067	5.8
100.07615	0.6
103.05428	3.0
105.07014	30.4
106.07299	0.9
107.04948	0.9
107.08573	25.9
109.06499	3.2
109.10140	17.4
111.08054	1.8
113.09597	1.4
115.05431	3.3
117.06992	1.4
118.04137	1.5
119.04933	0.6
119.08562	24.5
121.06411	0.5
121.10134	4.5
123.08055	3.3
123.11683	6.8
125.09586	0.8
129.07002	0.5
131.04915	0.7
131.08546	1.6
133.02835	1.9
133.06483	17.8
133.10109	100.0
134.10440	2.2
135.11668	54.8
136.12001	1.4
137.06010	0.6
137.09583	4.4
138.10362	0.8
143.05983	1.0
145.10106	1.1
147.04379	0.9
147.07986	0.7
147.11662	6.9
149.13237	1.4
151.11171	2.1
157.10135	1.0
160.12444	0.8
161.05963	20.2
162.06313	0.7
175.11162	1.5
175.14798	46.8
176.15094	1.4
178.02580	1.2
193.04929	7.6
193.08568	8.6
193.10240	0.8
193.12212	2.7
193.15858	23.6
194.08109	0.8
194.16119	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1584
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
53.03932	0.5
55.01861	0.6
55.05510	1.6
57.07064	1.2
59.00883	0.4
59.05002	0.3
67.05491	2.5
69.03432	0.5
69.07055	3.5
70.90203	0.6
70.90571	0.6
71.04984	3.9
76.02123	0.3
79.05482	4.0
81.03420	0.4
81.07046	7.6
83.04976	0.5
83.08606	1.0
84.08105	0.4
85.06536	1.3
91.05462	5.9
93.07024	11.9
94.07358	0.3
95.04948	0.9
95.08591	10.2
96.08952	0.3
97.06480	0.7
97.10207	0.3
99.08093	2.9
100.07562	0.4
101.07944	0.4
103.05464	1.8
105.07011	18.1
107.08576	22.6
108.08904	0.8
109.06500	1.6
109.10138	12.3
111.08071	0.7
113.09615	1.0
115.05429	2.8
117.06986	0.9
118.04151	1.0
119.08559	19.9
121.10161	2.4
123.07988	1.6
123.11688	5.7
129.06973	0.4
131.04942	0.4
131.08549	1.6
133.02811	1.0
133.06487	9.5
133.10107	100.0
134.10417	1.9
135.11668	53.2
136.12027	0.9
137.05969	0.4
137.09573	1.8
143.06049	0.6
145.10069	1.3
147.11665	4.9
148.07512	0.5
149.13260	0.5
151.11163	0.7
151.86658	0.3
157.10144	0.4
160.12442	0.6
161.05954	11.8
173.13237	0.5
175.14795	47.4
176.15146	1.4
178.02592	0.9
184.55510	0.3
193.03206	0.6
193.04910	4.3
193.06607	0.4
193.06943	0.5
193.08586	5.0
193.10258	0.6
193.12228	1.2
193.15848	14.9
193.17638	0.8
194.08186	0.3
194.16245	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1583
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
55.05500	7.6
57.07063	2.7
59.04982	3.2
65.03944	0.7
67.05489	14.9
69.03405	0.9
69.07051	4.3
70.97744	0.8
70.98064	0.9
71.04974	1.4
79.05476	7.8
81.03371	1.4
81.07038	8.6
83.04955	2.1
83.08593	1.6
85.06525	16.5
91.05454	4.5
93.07019	13.1
95.04970	3.4
95.08582	10.6
99.08069	100.0
100.08411	1.1
105.07014	10.4
107.08570	13.8
109.06509	3.2
109.10129	36.2
115.05406	1.2
119.08553	8.3
121.10114	4.0
123.08043	4.3
123.11682	3.5
126.49841	0.7
133.02838	0.8
133.06464	5.4
133.10092	12.4
135.11659	18.2
137.06053	0.6
137.09572	10.7
138.10347	1.7
147.11681	1.7
149.02347	0.6
149.13232	1.3
151.11131	3.8
151.14722	0.8
160.81163	0.6
161.05931	7.5
162.31833	0.5
165.05429	0.7
165.16377	1.6
167.79732	0.5
175.14784	6.3
176.33833	0.6
178.02522	0.7
193.04907	3.5
193.08549	1.6
193.15842	53.1
194.16177	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1583
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
53.03940	1.0
55.01860	1.4
55.05500	5.3
57.07059	2.2
59.04993	1.6
65.03915	1.5
67.05485	7.9
69.03405	1.4
69.07066	7.0
70.06561	1.9
71.04983	4.9
71.18453	2.1
79.05483	9.3
81.03410	7.7
81.07039	15.0
83.04949	2.0
83.08603	2.4
85.06532	2.9
91.05462	10.9
93.07022	18.2
94.04161	0.9
95.04946	6.8
95.08589	25.4
97.06516	2.7
99.08075	5.9
100.07567	1.1
103.05437	2.5
105.03371	2.0
105.07016	28.5
107.05019	1.0
107.08575	36.4
109.06489	3.3
109.10130	15.3
111.08066	1.7
113.09587	1.6
115.05452	2.5
117.07023	2.0
118.04131	1.1
119.04964	1.3
119.08560	40.5
121.10132	7.9
123.08038	3.4
123.11688	9.5
129.06990	0.9
129.53947	0.8
130.22876	0.8
131.08553	2.6
132.09364	1.3
133.02827	13.2
133.06453	12.8
133.10106	100.0
134.10455	2.2
135.08003	1.0
135.11664	69.5
137.06012	1.2
137.08647	1.8
137.09590	6.2
143.06058	1.3
145.10101	1.4
147.11662	7.1
149.02280	1.7
149.13210	4.6
151.11165	1.6
161.02310	4.7
161.05963	16.7
165.05391	1.4
175.14793	72.9
176.73006	0.8
178.02588	1.9
193.04944	11.9
193.06583	1.4
193.08577	7.2
193.12233	3.1
193.15857	28.6
193.17638	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	193.1583
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
50.51647	0.6
53.00076	0.6
55.01859	1.7
55.05497	5.9
57.07066	1.4
59.04976	1.1
60.01258	0.6
65.03918	0.8
67.05495	5.9
69.03416	1.0
69.07054	7.3
70.06584	0.7
70.97019	1.3
71.04982	6.3
72.08134	0.6
77.03909	1.1
79.05479	7.9
81.03413	1.5
81.07043	11.2
83.04956	2.1
83.08604	2.8
84.08112	1.5
85.06532	2.2
91.05463	8.3
93.07025	14.9
95.04968	3.7
95.08592	15.2
97.06521	2.3
99.08067	3.9
100.07601	1.5
103.05447	4.8
103.10342	0.6
105.03367	0.8
105.07011	47.2
106.07343	1.4
107.08573	29.6
109.06504	4.8
109.10137	18.3
111.08079	3.3
111.11763	0.7
113.09639	1.1
115.05429	6.0
117.06976	1.1
118.04108	4.1
119.08559	30.3
121.10129	5.9
123.08039	6.4
123.11684	7.5
131.04825	1.0
131.08580	1.5
132.05678	0.7
133.02818	3.4
133.06468	31.2
133.10104	100.0
134.06819	0.7
134.10434	2.0
135.11664	60.2
136.11978	0.9
137.05966	1.7
137.09586	8.4
138.10370	2.8
143.04956	1.1
143.05946	3.4
145.10120	1.7
147.07988	1.1
147.11656	6.2
149.02296	0.9
149.13255	3.7
151.03908	0.9
151.11185	1.2
151.14774	0.9
160.12469	0.7
161.05951	38.8
162.06351	1.7
165.05481	1.0
165.06789	0.6
165.12717	2.1
166.08484	0.7
173.13116	0.7
175.14793	56.3
176.15138	1.5
178.02608	1.9
193.04919	8.6
193.08557	14.1
193.10265	1.1
193.12186	3.0
193.15854	32.2
194.07912	0.8
194.15457	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.4
56.05022	0.3
56.96552	0.4
57.03424	1.2
58.06590	2.9
58.99577	1.6
59.07373	2.2
60.04501	0.5
60.08153	20.2
61.01139	13.0
61.01455	0.6
70.06585	1.3
70.26023	0.9
73.33269	0.3
74.99053	0.6
75.02694	1.3
77.00612	0.6
85.01116	0.7
85.02894	4.0
86.09693	0.4
86.99056	0.4
87.02678	21.3
88.02183	2.2
89.04225	0.4
91.02149	0.3
98.21423	0.4
105.00058	2.1
105.03712	2.0
110.07130	0.7
115.02123	0.4
118.17991	0.3
119.01951	0.4
133.03165	100.0
134.03482	0.8
141.41907	0.3
151.05539	0.3
156.07600	0.4
192.01521	0.6
192.10490	21.0
192.15970	0.5
193.03244	0.7
193.10919	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	1.7
55.05510	3.1
56.96553	19.2
57.07046	1.7
59.04976	3.6
65.03918	1.9
67.05489	5.0
69.03400	2.0
69.07054	2.8
69.42814	7.3
69.43240	5.4
74.26585	1.5
79.05476	3.9
81.03375	1.9
81.07034	5.5
83.04940	2.0
84.08113	1.7
85.02840	1.8
87.04481	2.6
88.02194	1.4
91.05473	4.1
92.85472	1.3
93.07028	4.3
94.04162	3.0
95.08590	6.1
95.57417	1.5
95.91876	1.4
97.06538	1.9
99.08069	2.2
100.07592	3.1
105.07015	18.8
107.08587	5.8
109.06430	1.7
109.10152	4.3
110.45481	1.5
114.99384	2.9
115.05418	2.2
119.08549	6.2
122.03635	9.7
123.08063	2.3
123.11684	1.8
133.02838	6.9
133.06465	12.5
133.10094	9.0
135.11685	7.8
137.05959	100.0
138.06293	7.2
146.97420	7.0
147.07971	1.8
147.11665	4.2
148.07523	2.0
149.02287	1.9
151.06325	2.4
151.07487	2.1
161.05988	11.9
165.05487	1.6
166.08659	3.4
169.29422	1.4
169.99013	3.8
175.14807	5.7
178.02621	7.1
178.24438	1.7
181.58524	8.4
190.59093	5.0
193.04930	35.4
193.08661	5.6
193.10706	1.7
193.12279	4.5
193.15871	6.2
194.08087	4.1
194.11778	3.3
194.15369	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	193.1584
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
55.01839	1.8
55.05500	10.6
57.03416	1.5
57.07037	2.0
59.04976	3.8
59.48767	1.4
64.94959	1.4
65.03934	1.6
67.05476	11.6
69.03391	1.4
69.06688	1.5
69.07056	28.3
69.36258	8.9
70.06584	1.1
71.04983	16.2
72.94530	1.2
74.43500	1.2
79.05481	7.4
79.05850	1.1
81.03393	3.0
81.06590	1.9
81.07043	24.6
83.04952	3.1
83.08606	3.7
84.08115	1.6
85.06549	7.3
91.05470	7.8
91.05950	1.6
93.06474	2.4
93.07024	29.1
95.04372	2.1
95.04948	30.3
95.08590	18.2
97.06497	5.0
97.10152	11.5
98.20762	2.6
99.08081	6.6
100.07600	1.4
103.05432	1.5
105.07011	19.9
107.07870	2.7
107.08567	33.8
108.04455	1.5
109.06498	100.0
109.10139	19.0
109.25921	1.3
110.06810	1.5
111.08074	6.3
111.11698	4.5
115.05449	2.9
118.04124	2.0
119.08566	27.5
121.10131	8.9
123.08037	8.8
123.11691	24.4
129.05521	1.4
131.08553	1.4
133.02805	6.6
133.06482	11.1
133.10101	29.2
135.10757	1.3
135.11662	38.2
137.05908	1.6
137.09598	14.9
145.12167	1.3
146.97420	3.2
147.11656	7.5
149.02301	2.2
149.13258	11.2
150.03133	1.4
151.11128	3.7
151.14703	1.3
153.66095	1.2
161.05954	10.2
165.05479	2.0
166.08594	1.7
169.98965	2.0
175.11298	1.5
175.14795	46.2
178.02534	6.3
193.03343	1.4
193.04922	25.2
193.08572	5.1
193.10530	2.0
193.12210	3.5
193.15849	90.1
194.08075	2.4
194.11810	1.6
194.15437	5.7
211.93497	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1584
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03944	1.3
55.01858	0.8
55.05510	8.4
57.03434	0.9
57.07061	3.0
59.05000	4.3
67.05495	18.4
69.03415	1.1
69.07053	5.4
71.04984	1.5
79.05482	7.0
81.07045	11.7
83.04955	2.2
83.08603	2.0
85.06534	17.7
87.04475	1.0
88.02217	1.0
91.05473	4.2
93.07034	16.0
95.04977	3.4
95.08588	12.4
97.06506	1.2
99.08080	100.0
100.08419	1.2
105.07013	8.1
107.08581	14.7
109.06509	4.9
109.10140	35.7
111.08056	1.4
119.08568	7.7
121.10168	3.7
123.08099	4.1
123.11691	4.7
131.08533	0.8
133.02821	2.1
133.06432	4.6
133.10121	14.7
135.11668	17.9
137.05923	1.3
137.09590	12.5
138.10376	1.3
146.97429	1.3
147.11674	1.8
149.02306	0.7
149.13249	1.0
151.11195	5.1
161.05989	5.8
165.16364	1.4
166.08629	1.6
169.99126	1.0
175.14835	6.5
178.02563	1.2
193.04921	9.0
193.08510	1.5
193.12183	1.9
193.15855	54.1
194.05363	0.7
194.08041	2.2
194.11740	1.6
194.15483	2.2
194.60847	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1585
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
55.05497	4.2
56.37508	1.4
58.62552	1.5
59.04997	4.0
67.05487	6.4
69.07056	6.5
71.04973	6.9
71.52902	2.5
79.05476	5.0
81.07041	16.3
83.08627	2.0
91.05455	8.7
93.07043	18.3
95.04979	2.4
95.08592	32.5
99.08089	7.1
105.07023	19.9
106.46329	1.5
107.08573	34.9
109.06496	2.9
109.10143	10.1
113.09658	3.8
115.05393	2.1
116.67107	1.7
117.06950	2.0
119.08567	57.1
121.10111	6.6
123.08074	3.7
123.11655	8.3
126.95178	1.7
133.02800	4.1
133.06477	5.6
133.10110	100.0
135.11673	67.4
135.12715	2.6
137.09607	7.1
147.11665	5.3
161.05957	6.2
172.43044	1.5
175.11067	2.0
175.14806	62.3
176.15120	2.5
178.02647	1.8
182.58212	1.5
187.97145	1.5
193.04912	10.1
193.08568	2.9
193.10535	2.6
193.12146	2.0
193.15865	24.6
193.17575	2.0
194.08105	3.8
194.11902	2.7
194.15388	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	193.1583
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
53.03931	4.3
54.06149	2.9
55.05503	70.2
57.03430	5.0
57.07067	5.7
57.84639	3.0
58.81510	3.4
59.04969	10.8
59.05252	3.4
59.94647	3.0
67.05506	31.8
69.07043	17.3
70.10989	7.4
70.11375	7.8
71.04973	7.1
73.82109	3.5
79.05471	13.6
81.07033	28.7
81.46046	3.1
83.04958	4.0
83.08604	38.9
85.06534	20.4
88.73309	3.5
91.05463	18.2
93.07023	57.3
95.04932	7.7
95.08591	52.8
97.06499	4.4
99.08076	39.0
105.07012	45.1
107.04897	4.3
107.08570	62.3
109.06479	6.5
109.10132	84.8
111.08063	16.3
119.08564	40.2
121.10141	21.4
123.08076	16.2
123.11682	12.2
133.02818	5.3
133.06453	10.2
133.10107	77.7
135.11656	62.2
137.09589	50.3
139.11203	4.7
139.69832	3.3
147.11641	9.0
149.13237	10.0
151.11156	42.0
151.14784	13.3
161.05942	11.6
165.16359	3.8
165.57602	3.6
175.14755	47.4
178.02585	4.9
193.05016	17.8
193.10324	3.4
193.15840	100.0
193.17555	4.1
194.08057	6.8
194.15376	10.7
194.17918	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	191.1428
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03931	0.6
55.01867	2.5
55.05502	1.4
57.07069	0.5
58.06587	2.6
62.73553	0.3
65.03922	0.3
67.05496	3.4
69.03426	2.0
69.07053	2.2
70.06580	1.2
71.04977	1.3
72.04493	1.3
72.08145	1.1
79.05484	6.0
81.07053	2.6
82.06569	0.4
83.08603	0.7
84.08133	12.8
85.06530	0.6
85.08462	1.1
88.02200	0.8
91.05473	6.7
92.83067	0.3
93.07029	4.2
95.04956	6.3
95.08596	5.9
97.01251	0.4
97.06503	0.7
98.09690	3.9
100.07607	16.2
101.07932	1.3
103.05449	1.5
105.07021	6.1
106.04195	0.3
106.59176	0.5
107.04948	1.1
107.08579	17.7
109.06507	4.7
109.10142	3.8
111.36845	0.3
112.11211	3.5
115.05437	1.9
117.07005	5.1
118.04130	0.9
119.06052	0.9
119.08558	2.2
119.59937	0.6
121.06470	0.9
121.10121	3.5
123.08042	1.3
123.11687	1.0
129.06966	0.6
129.13834	1.6
130.04156	0.4
131.04909	1.8
131.08546	5.0
133.10104	5.0
135.08038	100.0
136.08418	1.6
143.08530	0.6
145.06409	0.4
145.10071	2.5
147.11688	1.9
148.05173	0.7
149.09613	3.3
149.13223	1.3
154.15819	0.5
158.10860	1.7
163.07503	1.1
163.11125	1.1
163.14816	0.5
166.15973	0.4
168.17438	1.3
173.05965	0.4
173.09628	0.5
173.13254	7.0
176.04697	0.6
182.16348	0.4
182.66989	2.6
183.17178	0.9
191.03427	0.8
191.06993	2.6
191.10699	1.7
191.14293	20.2
191.18036	0.7
192.01520	0.6
194.18997	0.9
213.23210	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.0652
Annotation	6-Methoxy-1-methylisatin
Peak:m/z	Relative Intensity
50.01600	0.3
52.03169	0.7
55.01897	0.3
55.05512	0.4
55.63466	0.2
57.66572	0.3
58.06599	0.3
58.99591	1.2
60.04529	0.3
61.01157	0.4
65.03937	0.3
67.05504	0.6
67.76474	0.2
69.07059	0.5
69.91188	0.6
69.91592	1.1
70.06594	0.7
72.08160	0.6
72.93779	0.3
74.02425	0.6
79.04240	0.7
79.05502	0.6
80.05014	0.5
81.07085	0.4
83.04990	0.3
84.08134	2.1
86.99054	1.2
88.02213	4.6
91.05465	1.6
92.05773	0.4
93.05796	1.6
93.07053	0.6
95.04987	0.3
95.08571	0.4
100.02187	0.7
100.07633	1.5
103.04155	1.3
103.05441	0.5
105.00072	0.9
105.03432	0.3
105.07019	2.8
106.06560	0.8
106.07323	0.3
107.08568	0.6
108.04475	1.5
108.38056	0.3
109.10154	0.3
110.06046	0.3
110.07153	0.3
112.11254	0.5
115.05452	0.8
118.04142	0.8
118.06552	0.6
119.08540	0.5
121.05230	1.0
121.06519	0.9
121.10191	0.3
122.06012	0.3
122.10460	0.4
125.05494	0.3
126.06252	1.1
130.06503	0.3
131.03665	1.1
131.04819	0.3
132.01173	0.4
132.04420	0.6
132.05275	0.4
132.08931	0.6
132.95850	0.6
133.02875	0.9
133.06474	1.7
133.10115	0.6
134.10497	1.2
136.08406	0.3
138.06253	1.0
139.06981	0.3
140.05994	3.7
143.07133	0.3
146.00888	1.1
146.03618	0.3
146.05916	3.5
146.06908	0.6
146.10434	0.5
146.57591	1.7
147.04424	0.4
148.07491	0.5
148.12018	0.5
148.99210	0.2
150.06398	0.3
150.09117	0.3
150.13647	0.4
150.96890	1.2
154.74629	0.3
160.05096	0.7
161.06013	1.9
164.06929	0.5
164.10686	0.4
174.05379	0.5
174.13622	1.4
177.04178	100.0
178.02647	0.4
178.04520	1.8
192.01425	2.1
192.06511	97.0
192.13896	1.1
192.17430	1.1
193.04907	2.7
193.06831	1.6
193.08595	0.9
198.18640	0.3
200.99643	0.2
202.79465	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1427
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03931	2.4
55.01829	2.0
55.05486	4.8
55.38826	1.6
57.03412	2.0
57.07057	2.4
58.06572	5.6
59.04974	2.1
63.02343	1.5
67.05494	11.8
69.03403	1.7
69.07046	10.8
70.06573	1.6
71.04980	37.1
72.04485	1.9
72.08136	1.4
79.05479	12.7
81.07034	15.1
83.04969	3.6
84.08139	15.6
85.06526	18.8
85.08449	1.6
85.54308	1.3
88.02204	1.7
91.05460	21.6
93.07032	19.7
95.04950	16.2
95.08582	24.5
97.06512	25.1
98.09661	4.4
98.20724	3.7
100.07600	19.3
101.07954	1.4
103.05434	5.1
105.07008	38.7
107.08574	68.5
109.06491	19.7
109.10142	17.2
111.08078	7.1
112.11214	2.9
115.05435	2.3
117.07003	6.5
119.08554	16.1
121.06497	3.1
121.10123	70.4
121.11014	3.5
123.08044	42.0
123.11652	2.7
129.06999	2.3
129.13795	2.3
131.04919	2.2
131.08545	37.5
132.05725	1.5
133.10104	56.2
135.08031	58.4
135.11655	3.2
137.09534	1.4
143.08534	5.1
144.09296	1.9
145.10089	11.0
147.11664	27.9
148.05179	2.2
149.09592	11.6
149.13228	22.9
158.10864	18.2
160.58588	1.6
163.07538	1.8
163.14861	3.0
168.17436	2.6
173.13231	65.9
174.13666	1.7
182.66913	2.6
191.03232	2.3
191.06970	4.0
191.14273	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.4
53.73711	1.0
55.01854	1.6
55.05502	5.9
57.03420	1.3
57.07058	2.4
58.06581	4.2
58.32638	1.0
65.03931	3.0
67.05497	17.7
69.03403	2.6
69.07054	11.5
69.88921	4.4
71.04602	1.9
71.04981	35.2
72.04501	2.4
72.08154	1.6
79.05484	13.4
81.07047	14.5
83.02699	1.1
83.04977	2.6
83.08602	2.6
84.08131	21.5
85.06535	18.3
85.08434	2.8
88.02184	2.4
91.05459	19.7
93.07029	19.9
95.04949	15.3
95.07984	1.3
95.08595	25.1
97.05918	1.9
97.06516	26.3
98.09672	7.5
98.21396	1.4
100.07596	29.6
101.07925	1.5
103.05446	3.6
105.07012	41.7
107.04945	1.9
107.08575	70.8
109.06502	20.2
109.10139	16.3
111.08060	7.5
112.11231	5.9
115.05444	1.9
116.06305	1.1
117.07017	6.8
119.08569	17.7
119.59917	1.7
121.06480	4.1
121.10124	60.2
123.08043	40.8
123.11701	2.7
124.08403	1.1
127.10816	1.2
129.06984	3.1
129.13847	2.8
131.04892	3.1
131.08545	43.4
133.06427	1.4
133.10106	46.8
135.08031	66.2
135.11676	4.0
136.08403	1.2
143.08527	4.6
144.09242	1.3
145.10085	14.0
147.08122	1.3
147.11662	27.1
148.05156	1.7
148.08748	1.6
149.09584	10.0
149.12047	1.2
149.13242	23.7
158.10904	10.0
163.07561	3.0
163.11180	1.9
163.14798	3.4
168.17458	2.6
171.11696	1.3
171.14937	2.3
173.13229	57.8
176.04692	1.5
176.11891	1.3
182.66960	3.2
191.03369	2.5
191.06996	5.3
191.10654	3.5
191.14275	100.0
191.17915	2.8
192.01357	1.2
192.14679	1.5
194.19028	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	191.1427
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.01863	1.7
55.05504	8.7
57.03431	2.8
57.07048	2.7
58.06574	4.5
59.04950	1.5
60.87962	1.3
67.05490	14.7
69.03415	5.6
69.07051	15.7
70.78252	1.8
70.78616	4.7
71.04975	10.6
72.04517	2.4
77.03884	1.6
79.05496	8.7
81.07047	10.4
83.04970	3.3
83.08601	4.0
84.08129	19.8
85.06526	7.3
88.02197	2.2
91.05456	17.3
93.07019	15.9
95.04949	21.7
95.08581	10.2
97.06528	9.1
98.09665	6.5
100.06992	1.5
100.07608	20.1
103.05431	3.8
105.07012	49.7
107.08566	35.8
108.07513	1.5
109.06498	12.2
109.10139	11.7
109.97377	1.3
112.11205	4.2
116.06151	2.4
117.07003	6.1
119.08554	39.1
121.06470	4.4
121.10123	24.1
123.08038	9.3
123.11656	4.4
126.60744	2.1
129.06981	5.1
130.07735	2.3
131.04893	3.2
131.08539	42.6
133.10106	100.0
135.08023	25.6
135.11613	2.9
143.08540	9.7
144.09311	4.5
145.10103	31.8
147.11658	39.9
148.05185	1.7
149.09593	15.6
149.13222	28.6
158.10866	19.8
163.07549	2.4
163.11024	3.4
163.14790	4.8
171.11623	2.0
173.13229	89.3
174.13515	2.3
176.04543	1.9
182.66994	3.0
191.07008	3.5
191.10654	3.1
191.14270	83.1
192.14546	2.5
194.19019	1.8
208.71103	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	191.1428
Annotation	2-BUTEN-1-ONE, 1-(2,6,6-TRIMETHYL-1,3-CYCLOHEXADIEN-1-YL)-
Peak:m/z	Relative Intensity
53.03935	1.9
55.05507	9.9
57.07046	1.4
58.06572	3.3
65.03907	1.5
67.05514	9.4
68.05830	1.4
69.03422	22.4
69.07061	17.7
69.31217	2.8
69.31618	11.0
70.06567	2.0
71.04980	3.0
72.04515	2.7
79.05487	14.5
81.07052	13.0
83.04967	5.8
83.08582	3.7
84.08138	15.8
85.06519	2.9
85.08453	5.0
86.09681	2.2
90.18752	1.1
91.04894	1.8
91.05467	29.4
93.07030	15.4
95.04948	4.5
95.08594	10.7
97.06513	5.1
98.09678	5.8
100.07604	20.6
101.07925	4.1
103.05428	5.9
105.07014	73.7
107.04920	4.1
107.08577	29.5
109.06502	12.5
109.10127	4.1
110.09737	1.3
111.08049	4.8
112.11215	5.0
113.11501	1.7
115.05418	3.5
116.06246	2.4
117.07014	12.6
119.08562	100.0
119.82299	1.1
120.08891	1.7
121.06482	5.2
121.09312	2.1
121.10123	23.1
123.08051	5.7
129.06996	3.1
129.13869	2.3
130.07741	2.5
131.04907	2.3
131.08545	28.2
132.09346	3.4
133.10110	27.0
135.08029	25.3
135.11646	3.6
136.06149	5.4
137.67543	1.3
143.08522	7.0
145.10107	18.1
147.08038	1.9
147.11661	41.4
149.09598	63.2
149.13211	10.3
158.10910	10.2
160.05032	12.5
161.09520	2.6
163.07434	1.8
163.11156	2.3
163.14803	3.9
166.15880	1.4
168.98869	1.4
173.13229	32.1
176.04620	1.3
176.11926	2.9
181.27551	1.3
182.16411	2.4
182.66821	1.3
191.06967	4.0
191.10674	6.0
191.14282	85.9
192.07675	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	191.1426
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03932	1.4
55.05278	0.9
55.05506	8.7
57.03412	1.4
57.07059	1.0
59.04985	2.4
67.05495	11.3
69.03403	1.8
69.07057	10.5
69.61452	8.3
71.04970	5.0
79.01175	1.0
79.05478	9.6
81.06577	1.4
81.07036	20.8
83.04972	2.2
83.08616	5.8
84.08118	2.5
85.06512	4.7
85.53482	1.2
88.02197	1.1
91.05456	18.1
93.07018	22.2
95.04953	10.1
95.08585	18.3
97.06499	5.2
97.10121	3.1
98.09670	1.8
100.07595	4.0
103.05500	1.9
105.07004	33.8
107.08575	28.7
109.06496	31.1
109.10132	37.8
111.08038	1.5
115.05392	1.7
116.06258	1.6
117.06964	5.2
119.08550	19.4
121.06467	4.2
121.09310	1.9
121.10121	25.4
123.08038	10.2
123.11674	6.0
125.48197	1.2
129.06984	3.3
130.07736	1.5
131.08539	35.2
133.10101	100.0
135.08026	31.4
135.11655	14.8
137.09550	1.3
143.08504	8.6
144.09340	2.2
145.10097	17.4
146.00902	1.6
147.11664	11.0
147.34494	1.0
148.08832	1.3
149.09573	7.7
149.13220	23.2
150.10323	1.7
154.18013	1.4
158.10899	12.6
163.11166	2.6
163.14751	2.7
173.13231	67.5
174.13550	1.9
176.11829	1.3
182.61639	1.2
191.10606	1.9
191.14272	55.4
191.17897	15.4
192.10170	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	191.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.6
55.01863	1.4
55.05507	9.9
57.03431	1.4
58.06585	5.5
59.04988	1.3
63.46839	1.3
67.05494	10.9
68.05828	1.5
69.03077	2.1
69.03420	21.9
69.07067	16.4
69.64939	2.1
69.65366	6.7
70.06573	1.8
71.04974	4.4
72.04511	1.9
72.08133	2.6
79.05488	12.7
81.07049	13.7
83.04961	5.4
83.08611	2.1
84.08130	27.3
85.06572	2.9
85.08460	5.1
86.09686	6.9
91.05469	28.1
93.07034	13.1
95.04955	6.1
95.08595	10.0
96.08069	1.3
97.06520	5.7
98.09673	7.6
98.21514	1.5
99.10029	1.5
99.51398	1.3
100.07604	30.0
101.07932	7.4
102.82825	1.3
103.05455	4.4
104.06234	1.8
105.07020	75.2
107.04920	3.5
107.08582	30.4
107.09296	2.8
109.06507	8.9
109.10172	6.2
111.08046	3.2
112.11214	5.0
113.11576	2.5
115.05447	2.0
117.07008	10.5
119.08566	100.0
121.06478	4.5
121.10123	22.4
122.99021	1.3
123.08057	8.8
123.11697	1.9
129.06966	4.4
129.13873	3.6
131.04933	2.4
131.08556	36.8
132.09352	2.4
133.10112	38.1
134.03476	1.3
135.08032	21.0
135.11679	4.7
136.06180	16.9
143.08565	6.4
144.09290	2.1
145.10110	20.4
146.05948	1.4
147.11668	50.0
149.09593	54.3
149.13219	12.2
158.10919	8.8
160.05017	10.0
161.09583	2.5
163.11147	3.2
163.14804	2.0
166.15875	2.6
167.16206	1.9
173.09726	1.9
173.13239	35.5
176.12057	1.5
182.16356	5.2
191.06903	2.9
191.10733	6.2
191.14288	79.6
192.07674	3.1
192.14485	1.9
199.79642	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0497
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
54.44835	0.2
54.53716	0.3
55.05505	0.4
58.06591	0.8
67.05495	0.6
67.69309	0.3
68.05038	0.3
69.86517	1.3
70.06564	0.3
72.04469	0.3
79.05509	0.4
81.07026	0.3
84.08134	3.4
85.08437	0.3
89.03889	0.5
91.05494	0.3
98.09689	0.5
100.07607	3.9
105.06982	0.6
112.11234	0.9
116.04972	2.1
129.13846	0.6
135.86784	0.3
137.13347	0.2
144.04425	0.7
144.07986	0.2
162.05482	100.0
163.05817	2.2
166.15849	0.9
181.15610	0.5
181.66197	0.5
190.04967	49.1
190.10582	0.6
191.05304	1.3
199.56450	0.2
208.37975	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1427
Annotation	2-BUTEN-1-ONE, 1-(2,6,6-TRIMETHYL-1,3-CYCLOHEXADIEN-1-YL)-
Peak:m/z	Relative Intensity
52.26781	2.0
53.03929	2.6
55.01864	2.2
55.05506	12.1
57.07061	2.6
58.06580	2.0
67.05483	6.0
69.03420	25.9
69.07058	20.6
70.61127	4.3
71.04984	3.2
72.04504	2.1
72.08112	2.3
79.05486	16.6
81.07049	16.6
83.04956	8.0
83.08580	3.3
84.08145	17.8
85.06534	2.6
88.02196	6.3
88.03959	1.8
91.05472	24.6
93.07025	17.7
95.04962	3.6
95.08607	13.5
97.06501	5.8
98.09662	7.3
100.07607	21.9
101.07964	1.8
101.89610	1.6
102.96716	2.5
103.05418	3.7
105.00056	2.1
105.07023	66.1
107.04931	5.6
107.08571	32.7
108.90455	1.6
109.06500	11.7
109.10121	8.0
111.08048	4.2
112.11218	5.5
115.05402	2.3
115.37263	1.9
117.06999	10.9
119.08566	100.0
119.59970	1.9
121.06490	9.5
121.10131	29.3
123.08076	9.3
123.11674	6.3
129.06921	2.3
131.08566	16.7
132.09383	2.5
132.23447	1.7
133.10121	22.4
135.08038	25.0
135.11690	8.8
143.08516	5.1
145.10106	13.0
146.00909	7.0
147.10504	2.5
147.11670	43.8
148.08768	2.5
149.09589	70.0
149.13249	8.5
150.02658	5.0
150.10277	2.4
158.10876	7.7
160.05006	2.1
163.14827	3.1
168.17490	1.8
173.13222	26.4
176.12045	1.9
182.66933	4.7
191.03311	2.6
191.06944	3.3
191.10666	6.8
191.14279	95.1
191.17944	4.2
192.01405	3.4
192.10117	3.1
192.17528	2.9
194.19092	2.3
210.87250	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	189.1271
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16932	0.6
55.05487	1.1
65.09969	0.6
67.05478	1.0
69.03424	4.4
71.25312	1.6
79.05474	1.3
82.30353	0.8
84.08144	2.0
91.05465	4.9
91.78077	0.7
92.69461	0.6
100.07589	1.8
101.90106	0.7
105.07008	8.5
107.08599	1.9
112.11176	1.0
115.05435	1.0
117.07018	3.4
119.08559	15.0
120.08979	0.7
120.10863	0.7
121.10120	0.8
128.06181	1.7
129.06964	2.9
130.07762	2.9
131.08517	5.5
133.06465	2.3
133.10104	3.1
141.06955	6.0
142.07693	1.3
143.08571	6.1
144.09306	2.2
145.06564	0.7
145.09048	1.4
145.10106	17.6
146.10498	0.7
147.08037	6.7
147.11662	13.3
155.08530	2.5
156.09315	42.9
157.09683	1.6
159.08041	3.7
159.11667	14.2
160.08740	0.9
161.13264	1.0
171.11659	65.4
172.11981	2.9
174.10373	6.7
189.12714	100.0
190.13104	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	189.1271
Annotation	Unknow
Peak:m/z	Relative Intensity
68.40826	0.9
69.03435	4.0
69.71932	4.2
79.05469	1.2
84.08122	3.7
86.92379	0.7
91.05457	4.9
91.05950	0.8
93.07024	0.9
100.07592	2.4
105.07013	8.5
107.08543	1.3
112.11238	1.1
117.06998	3.4
119.08561	12.8
128.06186	1.9
129.06955	3.6
130.07756	2.9
131.08545	5.4
133.06470	1.8
133.10144	3.9
141.06967	5.3
142.07782	1.4
143.08536	5.8
144.09282	1.2
145.06488	1.1
145.10101	20.0
146.10780	1.8
147.08023	5.1
147.11665	13.6
155.08540	2.0
156.09331	42.7
157.09685	1.6
158.98077	0.8
159.08029	3.8
159.11678	12.9
160.08780	1.2
161.09534	1.1
161.13167	1.2
171.11658	58.6
172.03935	1.1
172.11987	1.3
174.10425	6.7
180.78680	0.8
189.12711	100.0
190.13031	2.6
202.98924	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.5
55.01863	1.8
55.05500	5.5
56.05023	2.9
56.96555	3.1
57.03443	2.4
57.03687	0.6
57.05805	0.4
58.06590	7.7
59.05008	0.4
60.04512	0.7
60.05640	0.7
60.08154	17.9
61.01138	0.5
63.42968	0.4
65.03924	0.6
67.05489	5.1
68.05021	0.5
68.99774	0.8
69.03416	2.5
69.07058	2.5
69.75471	0.3
70.06576	5.1
71.01334	0.7
71.04984	0.6
71.12687	0.8
72.04500	2.1
72.08143	32.4
73.02911	1.0
73.08478	0.4
74.02430	0.4
74.06055	0.4
74.07210	0.9
75.05595	1.4
75.09226	0.4
79.05477	6.5
79.85436	0.3
80.73865	0.3
81.03406	0.8
81.07044	3.6
82.06577	1.6
83.04974	1.4
83.08614	0.5
84.04490	1.9
84.08130	100.0
85.02884	2.3
85.06514	1.1
85.08471	2.6
85.08912	0.5
86.06058	0.9
86.09693	43.0
87.04457	2.0
87.10029	0.6
88.03981	0.6
89.02408	0.4
91.05463	4.4
93.07034	2.1
95.04958	0.9
95.08598	1.1
96.08115	0.9
97.02884	0.7
97.06530	1.1
98.06050	1.1
98.09680	6.6
98.97568	1.0
99.04436	0.4
99.09221	0.4
99.10026	0.9
100.07600	27.1
101.02348	3.0
101.06057	0.4
101.07125	0.7
101.07933	1.2
102.05524	0.7
104.48592	0.4
105.03324	0.4
105.07016	6.3
106.59174	2.3
107.04930	1.2
107.08588	6.8
107.09304	0.8
108.08878	0.5
109.06502	0.5
109.10153	1.9
110.09688	3.1
111.00786	1.0
111.04431	1.0
112.07584	1.2
112.11229	13.2
112.59164	1.8
113.06997	0.4
113.09307	0.4
113.11558	1.0
113.59953	1.2
114.49862	0.4
115.03913	2.7
115.05437	0.9
115.12289	0.5
116.07072	0.8
116.98608	1.1
117.06967	0.5
117.10189	0.4
118.08630	5.9
118.59126	0.4
119.01816	0.4
119.04957	0.6
119.08542	2.0
119.59921	2.8
120.10089	0.8
120.55444	1.8
120.60715	1.3
124.07678	0.5
124.97644	0.6
126.05495	0.8
126.09104	1.3
126.12778	0.5
126.60713	1.6
127.10890	0.5
128.06212	0.4
129.01814	1.3
129.05481	0.8
129.06949	0.4
129.10162	0.4
129.13852	5.4
130.08620	31.8
131.08443	0.8
131.10086	0.4
132.10190	3.3
132.60710	1.9
133.06491	1.7
133.10114	3.9
134.99608	0.8
135.11641	0.6
139.00204	1.7
139.61406	0.5
140.02322	0.5
141.10165	0.6
141.11990	0.6
142.98711	0.6
143.06505	3.6
143.08563	0.6
143.11768	6.2
144.06474	1.1
144.10199	0.7
144.13817	2.5
145.06467	0.8
145.10107	0.9
145.61501	0.6
147.04356	0.9
147.08055	0.5
147.11659	1.7
150.99101	0.7
152.12503	0.7
154.08611	0.4
154.12314	0.6
155.11766	1.6
156.09244	0.8
157.01286	2.5
161.05966	3.3
161.07127	0.6
161.09586	0.5
162.05464	1.3
164.14323	6.1
165.14642	0.8
166.63821	0.6
167.64644	0.6
171.02853	1.3
171.11571	1.3
172.09642	0.7
173.64479	0.5
175.02419	0.5
177.05905	0.7
178.15912	0.7
179.16245	0.4
180.65376	3.7
181.15518	1.3
189.04027	8.2
189.05460	1.6
189.06691	0.7
189.09062	0.8
189.12325	2.8
189.15923	18.9
190.03232	1.3
190.04839	0.8
190.06996	0.5
190.08603	0.6
190.10718	1.6
190.14293	1.2
197.16667	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1597
Annotation	N6,N6,N6-Trimethyl-L-lysine
Peak:m/z	Relative Intensity
56.05029	1.3
58.06617	0.2
60.08156	28.3
66.03854	0.1
67.05500	2.1
69.07053	0.4
70.26003	0.5
70.26379	0.4
74.02435	0.4
84.08132	100.0
85.06524	1.2
85.08455	1.0
86.09724	0.4
87.90327	0.2
98.20795	0.2
102.09180	0.4
127.73691	0.2
130.08623	50.4
131.09006	0.3
144.13812	2.7
149.90489	0.2
156.26321	0.2
189.15953	31.7
190.16241	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.127
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24065	0.7
55.05470	1.0
56.04658	0.7
69.03073	0.7
69.03403	4.4
69.73519	4.7
71.53209	0.7
79.05477	1.5
81.07047	1.6
83.04991	0.8
91.05457	4.4
93.07009	1.7
95.08578	1.8
95.72697	0.8
105.07019	9.5
107.08560	2.4
115.05402	1.0
117.07023	3.8
119.08549	11.8
121.10079	1.3
128.06189	2.2
129.06961	2.6
130.07736	3.7
131.08522	4.4
133.06444	1.6
133.10107	6.6
141.06972	5.4
143.08543	5.0
144.09311	2.3
145.06444	1.4
145.10101	15.2
146.10873	1.7
147.08044	5.0
147.11653	9.5
149.02303	3.1
155.08513	1.7
156.09317	39.1
157.09743	1.0
159.08002	3.6
159.11682	13.1
161.13197	1.5
171.11661	54.7
174.10362	6.4
189.12691	100.0
189.16249	4.2
190.05133	0.9
190.08603	1.6
190.13055	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	189.1271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.7
55.05502	4.8
57.03413	0.4
57.07043	0.5
58.06585	1.7
59.60193	0.4
65.03935	0.6
67.05500	3.2
69.03419	2.3
69.07059	0.9
69.46810	3.2
70.06586	1.0
72.08149	1.4
74.89576	0.5
79.05479	3.6
81.07051	2.1
83.04967	1.4
84.04485	1.2
84.08131	10.1
84.08612	0.7
85.02907	1.1
85.04826	0.9
91.04888	0.7
91.05464	11.3
93.07016	2.2
95.04963	1.9
95.08597	2.0
98.06061	0.6
98.09692	2.5
99.08653	0.5
100.07605	8.6
103.05434	0.8
104.06163	0.5
105.07014	12.6
106.07332	0.6
107.04925	0.5
107.08563	4.0
107.64571	0.5
109.06454	0.9
109.10165	0.8
110.09613	0.5
112.11230	3.6
115.05442	1.2
116.06232	1.0
117.06998	2.5
119.08558	100.0
120.08898	1.9
121.06493	1.4
121.10138	0.5
123.08073	0.7
126.60748	0.7
127.11141	0.6
128.06197	1.8
129.05415	0.5
129.06979	5.2
129.13892	1.5
130.07741	0.8
131.08543	13.1
132.05685	1.0
133.06461	2.2
133.10106	9.7
135.08014	2.7
141.06931	1.4
142.07719	0.5
143.08572	3.1
145.06465	4.8
145.10075	3.3
146.07237	2.0
147.08018	81.7
147.11641	5.8
147.18106	0.5
148.08348	1.7
150.93555	0.5
155.08441	0.5
156.09315	8.0
157.06447	0.7
157.09686	0.5
159.08038	7.4
159.11649	1.1
160.08859	3.3
161.05934	0.6
161.09579	6.4
161.13219	10.8
164.14331	1.1
167.05550	1.4
169.03374	0.6
171.11661	11.0
171.14845	0.7
173.09550	0.6
174.06802	2.5
174.10379	12.4
175.10786	0.5
180.65414	0.9
181.66112	0.9
189.05322	1.0
189.08983	7.6
189.12701	77.5
190.06345	0.6
190.13066	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	189.127
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37169	0.7
55.05495	1.5
56.21656	0.6
68.92151	0.6
69.03419	3.5
71.20840	0.7
71.76422	0.8
79.05479	1.3
91.05457	5.1
93.07020	1.6
96.98199	0.6
103.96458	0.7
105.07008	10.8
107.08559	1.5
113.06041	0.8
115.05424	1.5
117.06974	2.6
119.08562	12.8
128.06206	2.9
129.06958	2.3
130.07770	4.0
131.08546	7.3
132.09361	0.7
133.06464	1.1
133.10109	4.1
141.06966	7.3
142.07777	0.9
143.08528	4.6
144.09332	1.6
145.06375	0.7
145.10109	14.1
146.10896	1.3
147.08029	7.0
147.11667	10.6
149.02234	1.7
155.08501	3.1
156.09326	38.9
159.08034	3.9
159.11667	10.7
160.08838	1.0
161.13229	0.9
171.11658	55.0
172.11980	1.2
174.10390	6.1
189.12708	100.0
190.13052	2.3
192.13261	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1231
Annotation	N6-Acetyl-L-lysine
Peak:m/z	Relative Intensity
55.01854	0.7
55.05511	0.7
56.05032	1.0
56.96554	1.1
57.03424	0.8
58.06592	0.6
60.08154	18.1
67.05499	1.4
69.03421	1.0
69.07056	1.4
69.60975	0.3
70.06579	2.1
70.96969	0.4
70.97319	0.6
71.01312	0.3
71.04996	0.4
72.08138	4.1
73.57701	0.3
74.07180	0.6
79.05495	0.3
83.04998	0.4
84.04532	0.6
84.08130	62.2
85.02906	0.3
85.06536	1.0
85.08474	0.6
86.09692	100.0
87.04451	0.7
87.10032	1.0
95.04973	0.3
96.81091	0.2
98.97568	0.6
101.02376	1.1
102.05526	0.4
105.07040	0.3
112.07631	0.5
115.03920	1.0
116.07053	0.4
117.88184	0.3
118.08664	0.3
119.01903	0.4
129.01823	0.3
130.08621	28.8
132.06549	0.3
132.10144	0.4
139.00241	0.3
143.11797	0.4
144.10208	0.3
144.13783	2.6
157.01288	1.0
162.05492	0.3
171.11653	0.3
185.68752	0.3
189.03998	0.4
189.06679	0.6
189.12250	2.8
189.15947	17.4
190.10744	1.2
190.14296	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.9
61.62653	0.3
67.05480	0.5
69.03413	4.1
69.07044	0.6
69.83614	0.8
69.84028	1.3
79.05476	1.4
81.07050	0.7
83.04968	0.5
87.66995	0.4
90.59108	0.3
91.05471	3.6
93.07002	0.7
95.04978	0.6
99.60132	0.3
105.07014	9.4
107.08571	1.5
109.06483	0.5
115.05428	1.0
116.06307	0.4
117.06974	3.3
119.08556	12.7
120.08918	0.5
121.10107	0.4
128.06180	2.9
129.07018	1.7
130.07745	3.7
131.08557	4.6
133.06467	1.3
133.10109	3.2
141.06953	6.9
142.07738	1.0
143.08537	5.3
144.09268	1.8
145.06494	0.7
145.10098	16.1
146.07242	0.4
146.10870	1.0
147.08014	4.8
147.11671	8.6
149.02338	1.4
155.08542	2.0
156.09312	40.5
157.09666	1.4
159.08046	3.9
159.11667	12.2
160.08806	0.9
161.09554	0.9
161.13232	1.5
169.10075	0.5
171.11653	56.3
172.11923	1.7
173.09541	0.5
174.10368	6.4
189.12700	100.0
190.13045	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	188.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50780	0.4
71.40804	0.6
88.51669	0.4
91.05435	2.9
115.05431	4.3
117.05776	0.6
117.06992	3.5
118.06525	52.5
119.06871	1.2
119.31594	0.4
127.27324	0.5
132.08099	0.7
142.06522	5.2
143.07280	8.8
144.04417	0.5
144.08066	23.4
145.06422	0.9
145.08418	0.7
146.05988	100.0
147.06276	2.0
155.05928	0.4
160.07567	1.2
170.05975	8.4
170.07291	0.7
188.07034	33.2
189.07352	1.0
199.89577	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0703
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
50.94821	0.4
51.04310	0.3
54.30665	0.3
70.17726	1.4
91.05471	2.9
97.55824	0.4
103.05499	0.4
103.15485	0.3
115.01805	0.3
115.05420	4.6
117.05725	0.8
117.07019	3.1
118.06525	57.7
119.06847	1.5
132.08072	0.7
142.06500	5.1
143.07283	8.5
144.04411	1.2
144.08066	20.9
145.06503	0.9
145.08391	0.7
146.05986	100.0
147.06374	2.1
155.06003	0.5
160.07541	0.9
170.05998	7.6
170.07455	0.6
188.07037	30.6
189.07358	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0703
Annotation	Indoleacrylic acid
Peak:m/z	Relative Intensity
51.96987	0.2
53.30024	0.2
55.01842	0.3
55.05513	0.9
56.05023	0.5
57.03455	0.3
58.06607	0.4
60.04522	0.4
60.29789	0.2
61.02934	0.7
67.05493	0.3
68.38628	0.2
69.03434	0.6
69.07062	0.3
69.99012	1.1
70.06591	0.7
71.05006	0.4
72.04520	0.6
72.08143	6.8
73.02914	0.2
79.05492	0.6
81.03409	0.4
82.06580	1.5
83.04959	0.5
84.04482	4.2
84.04948	0.3
84.08118	2.2
85.02902	1.1
86.06090	0.3
86.09687	0.7
86.99061	0.3
87.04470	0.5
88.02225	0.3
91.05473	1.1
95.08587	0.3
96.08125	0.3
98.06061	0.5
100.03975	0.3
100.07598	5.1
105.07019	0.7
107.08603	0.5
112.11255	0.5
114.09143	0.4
115.05430	16.4
116.04968	1.6
116.05729	0.4
116.07048	0.4
117.07007	0.6
118.06522	4.7
119.04927	1.1
119.08537	0.8
120.87549	0.3
124.07556	0.5
126.05501	0.3
126.97361	0.2
128.06198	0.4
128.07037	1.8
129.05446	0.3
129.07033	0.3
129.13858	0.3
132.08058	0.6
132.08949	0.4
133.06476	0.8
133.10091	0.4
134.06021	0.3
140.04926	2.0
142.06494	33.6
142.08606	1.7
143.07085	1.0
143.08414	0.4
144.08054	2.2
145.06485	0.5
146.03532	0.3
146.05978	8.7
146.08090	1.0
147.03342	0.3
147.04391	2.3
147.11662	0.3
156.09322	0.3
160.07494	3.7
160.09662	0.6
161.05963	1.3
161.13177	0.3
170.05977	100.0
171.04381	0.3
171.06358	2.6
171.11674	0.4
171.14883	1.8
173.32057	0.3
188.03583	0.9
188.07018	33.7
188.09059	2.6
188.11429	0.9
188.17513	0.9
189.05502	1.7
189.07301	1.0
189.09064	0.8
189.12656	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.5
55.01850	0.4
55.05507	1.4
56.05020	1.1
56.96558	1.4
57.03420	0.4
57.98777	0.4
58.06575	0.4
60.04517	1.4
60.05633	0.2
60.08147	0.3
61.02908	0.3
65.03918	0.5
65.72198	0.2
67.05482	0.6
68.05016	0.4
69.03409	0.6
69.07048	0.9
70.06580	1.5
70.99553	0.6
71.04977	0.4
71.52543	0.3
72.04508	0.4
72.08144	7.3
73.02911	0.3
74.02406	0.5
74.06074	0.3
74.92816	0.2
79.05495	0.3
80.04995	0.7
81.03390	0.3
81.07043	0.5
82.06568	2.0
83.04953	0.9
84.04491	5.7
84.08131	5.3
85.01118	2.5
85.02893	1.4
85.06520	0.3
85.08437	0.5
86.09690	2.6
87.04432	0.7
87.05589	0.3
87.10035	0.3
88.03975	0.6
88.75954	0.2
91.05388	0.2
94.06495	0.2
95.02836	0.2
96.08131	0.5
97.01072	0.4
97.02876	0.3
98.06049	1.0
98.09681	2.6
98.97562	0.7
99.04450	0.2
100.06978	0.3
100.07598	4.6
102.03722	0.4
102.05511	0.5
103.02145	0.6
105.07014	0.3
107.04936	0.3
107.08561	0.3
109.02860	0.3
110.02437	0.2
110.06004	0.5
110.07153	0.4
112.02164	3.0
114.05488	0.7
114.09130	1.0
115.03868	0.3
115.05396	0.2
116.07056	0.5
116.98581	0.6
117.10224	0.4
118.06485	0.4
119.01821	0.2
123.73457	0.2
124.03912	0.3
124.07526	0.6
124.11190	0.7
126.05476	0.3
127.04002	0.2
128.02295	0.3
128.07072	2.2
129.05490	0.2
129.10158	1.0
130.08601	1.3
134.99654	0.2
140.01614	2.4
141.10204	0.5
142.03183	0.6
142.04945	1.2
142.08598	2.5
142.12254	0.6
144.01045	0.2
144.08055	0.2
144.10175	2.9
146.05975	0.5
146.08083	0.9
147.04387	0.2
147.11266	0.8
157.01878	0.7
158.02701	1.8
158.99684	0.3
160.09662	0.3
161.05959	0.3
170.02687	10.4
170.04323	0.5
170.05865	0.3
170.08086	1.1
170.11693	0.5
171.14928	1.4
175.11908	0.6
177.05954	0.3
188.03734	100.0
188.09138	2.9
188.12781	1.3
188.16194	0.3
188.17604	0.6
189.04063	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	187.1325
Annotation	(3S)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
55.01846	4.0
55.05490	7.7
57.03430	4.8
57.07071	5.6
58.06596	1.2
67.05492	58.1
69.03426	5.7
69.07056	11.4
70.06583	1.6
71.04979	74.2
71.54047	1.6
72.08128	2.3
73.11305	0.9
79.05479	14.6
81.03389	4.5
81.07039	52.4
82.06569	1.6
83.04964	7.6
83.08591	3.2
84.04500	4.8
84.08102	2.7
85.02869	4.0
85.06528	100.0
86.06874	1.4
87.04426	1.7
88.02203	6.6
91.05465	38.7
93.07028	16.4
95.04934	3.9
95.08599	11.2
97.06500	3.4
99.04447	2.2
99.08080	1.4
100.03902	1.1
100.07571	2.2
103.05443	1.4
105.07011	38.0
107.08575	40.4
109.02854	1.9
109.06502	7.9
109.10136	61.8
113.02319	1.3
113.05975	1.3
115.05406	12.7
116.06202	3.2
117.06990	4.0
118.06518	24.3
119.08444	1.3
123.08045	3.9
123.11681	10.7
125.09595	1.7
127.03896	2.7
127.05785	1.5
127.07549	1.5
128.06169	3.7
128.07048	3.1
129.06963	5.6
130.06517	1.3
131.04875	2.8
131.08549	11.1
132.08066	1.8
133.10106	86.0
134.10422	1.5
139.11166	1.8
141.05655	2.7
141.06972	1.5
141.73421	1.1
142.06480	13.3
142.08607	4.0
143.07306	6.4
143.08336	1.6
144.04506	2.0
144.05643	9.3
144.08080	10.9
144.09180	1.8
145.06393	2.1
145.10130	8.3
146.03061	1.6
146.05978	43.8
151.11147	48.9
156.05759	1.0
157.10071	1.3
159.06898	1.5
159.08006	10.8
159.09163	3.4
159.11659	5.3
160.09648	1.1
169.07541	5.3
169.09978	1.3
169.12222	22.0
169.13634	1.6
170.05988	53.9
172.05194	5.2
172.08733	2.0
187.06129	5.7
187.07513	25.3
187.11099	9.4
187.13051	3.7
187.14648	8.3
188.03500	1.3
188.07004	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0963
Annotation	cis-2-Carboxycyclohexyl-acetic acid
Peak:m/z	Relative Intensity
53.03919	2.4
55.01849	2.4
55.05499	9.0
56.05010	1.7
56.69630	0.7
57.03417	1.6
57.07050	1.2
59.04969	2.7
60.04514	0.7
61.02923	5.3
64.03541	0.8
64.88408	0.8
65.52995	0.9
67.05486	5.5
69.03416	6.4
69.07041	2.8
70.06587	6.2
71.04989	3.8
71.06892	1.0
71.52769	1.2
72.08154	4.5
72.93745	0.9
73.02914	0.9
74.06042	1.0
78.90939	0.8
79.05468	7.3
81.03404	7.7
81.07040	46.5
82.06558	2.5
83.04969	10.9
83.08605	4.5
84.04495	4.3
84.08136	7.4
85.02874	5.4
85.06504	3.1
86.09686	6.5
87.04458	1.6
88.02192	10.2
91.05462	6.8
93.07026	8.5
95.04935	4.1
95.08594	5.6
97.02856	2.4
97.06511	1.9
98.09628	0.9
99.00867	0.9
99.04425	2.0
99.08073	92.8
100.07595	2.3
100.08376	1.3
101.02376	1.0
101.05370	1.4
101.05998	16.9
103.03940	0.9
103.05441	4.2
105.07021	6.6
107.04912	1.7
107.08563	2.7
109.02839	3.4
109.05800	1.0
109.06499	15.2
109.10146	2.3
110.06005	1.0
111.04410	2.9
111.08082	3.9
113.02277	0.8
113.05957	1.8
114.05487	1.4
115.05373	4.7
117.06979	2.9
118.03684	2.2
118.06532	5.7
119.08593	1.9
119.59953	0.9
123.04456	1.4
123.07194	1.2
123.08045	20.3
123.11674	2.2
125.05936	1.5
125.09591	1.1
127.03923	4.5
127.05846	1.7
127.07518	2.6
128.06190	1.7
128.07028	1.8
129.05453	2.1
129.06979	4.2
129.10210	1.2
131.04903	17.0
131.08556	9.3
132.08058	0.9
133.06439	1.7
133.10101	2.3
134.71248	0.8
139.01768	0.9
141.06941	5.0
141.09074	100.0
142.06465	2.4
142.08563	3.1
142.09506	1.7
144.05670	6.2
144.08076	2.0
144.09271	2.2
145.02806	1.3
145.06480	6.5
145.10071	3.3
146.03139	4.2
146.05980	9.7
146.08153	0.8
149.02281	0.9
151.03841	1.1
151.07547	5.6
151.11127	2.4
154.07674	1.2
155.03403	2.0
157.06494	2.0
158.07172	3.0
159.04395	6.4
159.06851	1.6
159.08029	14.3
159.11679	8.8
160.09633	1.0
163.97710	1.9
169.05034	1.8
169.06427	2.2
169.08705	1.4
169.10094	2.3
169.12192	1.7
170.05966	6.2
170.08099	1.3
172.05141	1.2
172.08792	11.6
173.00708	2.0
177.05466	3.3
178.66061	0.9
181.02808	1.5
181.98695	1.1
182.03159	3.2
187.03859	32.1
187.05847	2.4
187.07437	22.0
187.11089	20.7
187.12561	2.0
187.14600	1.9
188.03897	1.7
188.06934	5.0
188.09123	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	184.0965
Annotation	Levonordefrin
Peak:m/z	Relative Intensity
53.03935	0.6
55.05499	0.9
56.96561	0.4
58.06580	0.3
59.12667	0.2
66.89209	0.3
67.05492	1.4
68.05012	1.4
69.03419	0.6
69.07047	1.0
69.26073	0.8
69.26477	2.2
70.06570	0.3
72.08128	0.8
79.05466	2.1
80.04968	0.6
81.03407	0.4
81.05773	0.9
81.07045	1.5
82.02924	0.6
82.06561	1.0
83.04953	0.5
84.08123	1.0
85.02872	0.3
86.06071	0.3
86.09685	1.2
91.05468	1.1
93.07021	3.2
93.65726	0.3
95.04971	1.3
95.07330	0.3
95.08588	3.3
96.04464	2.8
96.05312	0.6
96.08110	5.6
96.08792	0.4
97.05279	1.4
97.06521	0.6
98.06052	0.4
98.98418	0.3
100.07606	0.8
101.95033	0.4
105.07014	0.6
106.03762	0.3
106.06535	0.7
107.04931	0.5
107.07301	0.7
110.06017	7.7
110.09657	2.4
112.07608	0.3
112.11227	0.5
119.01938	0.5
119.96063	0.4
120.08080	1.7
121.06480	2.8
121.10136	0.5
122.08910	0.3
122.09666	2.4
123.06794	0.5
123.08039	1.5
124.07563	100.0
124.99930	0.5
125.05949	0.5
125.07876	1.9
129.65074	0.3
136.06128	0.3
138.03716	0.3
138.09105	23.5
139.03859	0.8
139.07544	0.3
140.10664	0.4
142.15932	0.3
148.07544	0.7
149.05939	1.4
153.05412	0.8
154.06215	0.4
156.08150	0.5
156.10162	0.8
157.10048	0.3
166.08606	20.0
167.06960	0.7
167.09036	0.4
184.07535	3.0
184.09647	45.7
185.07053	1.3
185.09892	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	184.0966
Annotation	chaetoglocin D
Peak:m/z	Relative Intensity
53.03924	0.8
54.03459	0.7
54.46460	0.3
55.01850	1.2
55.05484	2.8
56.05027	5.2
56.96555	0.8
57.03417	0.8
60.08141	0.6
65.43253	0.3
67.05502	3.4
68.05015	0.9
69.03397	1.1
69.07050	1.8
70.03761	2.0
70.06582	4.3
71.04966	1.5
71.53776	0.7
72.08141	4.4
73.02882	1.1
79.05461	1.4
80.05002	1.4
81.03384	0.9
81.07072	2.2
82.02933	0.4
82.06568	4.7
82.07334	0.4
83.04971	2.4
83.07331	0.4
83.08568	0.4
84.04474	1.2
84.05282	0.8
84.08130	31.0
85.02883	2.1
85.06519	0.8
85.08448	0.9
86.03255	0.5
86.06007	0.5
86.09689	4.9
87.04418	0.8
91.05459	1.1
93.07027	3.1
94.06561	3.9
95.04977	2.1
95.08608	2.0
96.04501	1.0
96.05267	2.5
96.08105	1.4
97.06523	0.7
97.07630	1.1
98.06026	1.6
98.09671	0.6
98.98455	0.6
100.07594	1.9
101.00881	0.8
101.05980	0.6
101.95000	1.8
105.03354	0.7
106.03660	0.8
107.04975	0.5
107.08566	1.2
108.08086	0.5
109.06503	0.5
109.10102	0.6
110.06002	1.5
110.07157	0.6
110.09663	11.0
111.04470	0.7
111.08047	0.5
112.07572	1.2
112.11233	1.0
113.05994	0.4
114.05502	1.0
119.01892	7.3
119.96058	0.8
120.08089	5.2
121.06448	0.7
121.10119	1.4
122.09668	3.3
123.04369	0.7
123.08081	0.7
123.11693	0.5
124.03926	0.6
124.04721	1.8
124.07578	1.9
124.08380	0.4
124.99997	2.7
125.02357	0.6
125.05970	0.9
125.07090	0.6
125.09636	2.0
126.05463	0.6
126.09152	0.5
128.07071	0.8
128.10690	5.4
129.06963	0.7
136.06165	2.1
136.07538	0.7
137.02950	3.5
137.09648	0.4
137.97069	1.3
138.05461	1.7
138.09113	43.0
138.12689	1.0
139.03871	1.4
139.07527	1.0
139.11159	1.0
140.07025	0.7
140.10645	0.4
141.05077	0.5
142.03477	1.9
142.04912	0.5
142.07648	0.4
144.04846	0.5
148.03911	0.4
155.98108	1.1
156.08965	0.7
156.10173	11.7
157.06491	1.9
160.04486	0.5
161.02963	1.2
166.04865	1.0
166.08597	11.4
166.09920	0.7
167.03389	0.7
167.07004	0.5
167.10587	1.0
167.11781	1.7
168.13771	0.8
179.03955	1.5
184.07423	3.6
184.09659	100.0
185.04460	0.7
185.05931	1.3
185.09958	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	184.0722
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
54.20224	0.9
58.06583	1.8
60.08155	12.1
66.66090	0.8
67.29601	0.8
69.03412	1.0
69.87511	1.9
69.87918	3.2
70.06570	1.1
71.07362	7.5
81.03442	1.0
84.08139	1.1
86.09689	75.1
96.04428	1.0
98.98437	11.7
101.95017	14.5
104.10707	2.1
104.71465	0.9
107.11001	0.9
119.96053	7.0
120.08073	1.1
124.07632	1.1
124.99979	61.5
134.71873	0.9
137.97061	7.4
138.03676	1.0
138.05441	1.0
138.09114	2.3
138.98940	1.0
140.07016	1.5
142.97539	1.3
143.01028	1.1
155.98097	2.8
160.98674	3.0
166.08626	3.1
178.99704	3.0
184.07312	100.0
184.09634	8.0
185.07675	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.073
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
53.28700	0.8
55.15777	0.8
56.05014	1.4
60.08154	12.7
70.03738	1.8
70.06571	1.3
70.35152	2.6
71.07365	7.3
71.95235	1.0
73.32881	0.8
86.09695	72.2
87.10023	1.2
98.98454	12.0
100.07613	1.2
101.95024	17.0
104.10715	2.7
106.03709	1.1
112.19990	0.8
119.96039	8.2
120.97900	1.2
122.27040	0.8
124.99987	54.0
137.97087	8.5
138.03677	0.9
138.05405	1.1
138.09081	2.6
139.01840	0.9
142.04990	1.1
142.97592	1.2
148.61850	0.9
155.98141	4.4
160.98701	2.2
165.07726	0.9
166.08617	3.3
178.99707	1.2
184.07315	100.0
184.09630	6.9
185.07677	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	184.0367
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12985	18.8
67.05771	20.8
70.32330	28.9
70.32745	62.9
70.77343	19.6
81.66964	21.0
86.09677	39.0
95.23238	20.9
108.48338	21.0
119.01913	100.0
121.18625	20.1
137.02950	21.9
142.03470	46.8
184.03706	38.0
184.07338	76.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0452
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77388	0.1
58.99855	0.1
60.00624	0.1
65.44312	0.1
70.71619	0.2
82.99802	1.1
86.99249	0.1
94.96938	0.1
100.02451	0.2
101.00860	17.8
101.95012	1.0
102.00909	0.5
102.96825	0.1
103.00606	0.1
105.94431	0.1
117.96317	0.1
118.03491	0.2
119.01898	100.0
119.96072	0.4
120.01978	3.4
121.01552	0.1
121.02357	0.5
124.02416	1.6
133.03429	0.1
136.04503	0.1
137.02928	37.1
137.97127	0.2
137.99843	0.1
138.02994	1.3
139.03346	0.2
139.82896	0.1
142.03470	25.2
143.01839	0.3
143.03600	1.8
144.03174	0.2
160.04529	8.1
161.02928	10.1
161.04588	1.1
162.03062	0.3
162.04308	0.2
162.46262	0.1
165.05032	0.8
175.50467	0.1
179.03975	18.0
180.04123	0.5
184.04471	0.6
184.05933	0.1
202.05563	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.045
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96527	0.4
60.08139	1.3
69.03381	0.3
70.06565	0.4
71.07343	0.5
71.53548	0.4
71.53902	0.7
74.65468	0.3
75.42828	0.3
79.64433	0.3
82.99844	1.1
85.02876	0.4
86.09218	0.5
86.09689	7.3
98.98443	0.9
101.00858	19.1
102.00954	0.8
104.10709	0.7
110.51984	0.4
113.58988	0.3
119.01892	100.0
120.01990	3.8
121.02361	0.4
124.02451	1.3
124.99966	6.4
133.03429	0.6
137.02925	37.5
138.03047	1.4
138.05467	0.4
142.03464	24.0
143.01875	1.3
143.03618	1.8
157.09680	0.3
160.04512	8.0
161.02921	11.1
161.04552	1.0
162.03090	0.4
165.05031	0.7
179.03967	18.8
180.04164	0.6
184.04730	0.4
184.06036	0.4
184.07307	10.5
184.09647	1.1
188.32036	0.4
198.41449	0.4
202.05608	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96545	1.2
57.03422	0.3
60.08124	0.3
61.01138	0.6
64.80341	0.3
70.06577	0.3
70.15403	1.5
71.07386	0.3
73.04389	0.3
82.99838	1.1
84.08131	0.6
85.02885	0.3
86.09691	1.2
98.20874	0.4
100.02506	0.4
101.00863	19.8
102.00984	0.4
115.02429	0.4
119.01905	100.0
120.02003	3.5
121.02383	0.6
124.02407	1.6
124.99976	0.7
130.08684	0.3
136.07573	0.5
137.02937	35.2
137.45810	0.3
138.03069	1.2
138.05464	0.3
142.03479	23.6
143.01921	0.7
143.03607	1.9
156.07700	0.3
160.04533	7.8
161.02942	11.1
161.04646	0.9
165.05176	0.3
166.04933	0.3
179.03990	16.5
180.04195	0.7
181.04645	0.3
184.04562	1.1
184.07262	1.4
184.09689	0.8
202.05638	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1376
Annotation	Chrysanthemyl acetate
Peak:m/z	Relative Intensity
53.03933	3.7
55.01859	5.7
55.05500	23.5
57.03421	9.8
57.07055	2.3
61.02914	5.4
62.11480	0.6
65.03918	1.5
67.05492	33.8
69.03415	39.7
69.07053	26.2
69.07350	0.6
69.37523	4.5
69.37938	2.1
71.04984	16.3
72.08131	0.9
73.02898	7.5
79.05479	19.0
81.03400	4.4
81.07040	100.0
83.04969	17.4
83.08601	10.7
84.08119	2.4
85.02411	0.6
85.02886	13.8
85.06526	14.1
86.09717	0.7
87.04476	3.7
91.03921	1.2
91.05460	20.8
91.06001	1.4
93.07021	22.8
95.04950	13.8
95.08588	30.9
97.06518	5.4
97.87307	0.8
98.21503	1.3
98.98442	11.9
99.04442	5.7
99.08073	3.2
100.07627	2.3
100.43035	0.8
101.95010	1.5
103.03931	2.8
103.05460	1.2
105.03372	9.9
105.04531	1.2
105.07010	31.7
107.08573	12.8
109.06499	12.3
109.10095	4.8
111.04422	8.9
111.08080	2.4
112.11226	0.8
113.05995	2.7
113.59974	0.8
115.05438	1.7
117.06978	4.4
118.96790	1.0
119.08556	39.2
120.08880	0.9
121.09441	0.5
121.10117	30.8
123.04396	10.3
123.08060	7.6
123.11681	42.2
124.12013	1.1
125.02381	0.8
125.05943	1.1
125.09594	1.5
125.62183	0.7
127.01556	2.7
127.07542	4.6
128.06219	1.2
129.05482	7.2
129.06973	7.5
137.05969	1.3
137.07988	0.8
137.09590	5.9
137.13222	2.8
137.97131	1.1
140.04654	2.8
141.06966	20.2
141.09087	0.7
141.98212	0.7
142.07666	1.0
145.10089	1.4
147.06537	2.5
147.08034	5.6
147.11658	54.4
148.12039	1.2
153.06972	1.2
154.07787	1.0
155.04652	1.3
155.07030	2.2
155.08566	10.2
165.05534	0.9
165.06926	1.1
165.09090	9.5
165.12721	25.7
168.09357	4.6
183.06476	1.4
183.08026	3.0
183.10094	5.3
183.11699	15.2
183.13763	3.3
184.09735	0.8
184.12090	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1376
Annotation	Chrysanthemyl acetate
Peak:m/z	Relative Intensity
53.03922	3.0
55.01860	5.8
55.05502	22.9
57.03420	9.5
57.07056	2.6
59.04975	1.2
61.02917	4.2
65.03931	2.1
67.05492	36.1
69.03414	35.7
69.07054	25.8
71.00433	2.0
71.04981	14.6
72.08140	0.8
72.24405	0.7
73.02895	7.2
73.31397	0.7
79.05479	18.5
81.03402	3.4
81.07039	100.0
82.07364	1.8
83.04961	14.8
83.08598	9.7
84.08121	2.1
85.02887	10.3
85.06533	11.3
87.04450	2.7
91.03957	1.3
91.05463	18.4
93.07024	23.7
94.06603	0.8
95.04958	11.7
95.08583	32.4
97.06503	6.6
97.10129	1.0
98.98447	11.8
99.04433	6.6
99.08096	2.2
100.07620	1.9
101.06023	1.3
101.95026	1.3
103.03915	1.4
105.03376	9.0
105.07009	28.7
107.08561	13.4
109.02801	1.3
109.06498	9.3
109.10110	4.4
111.04421	7.5
111.08054	1.9
113.05997	2.3
115.05441	1.4
117.06977	3.8
119.08559	37.5
119.96109	0.9
120.04359	0.7
121.10119	27.4
123.04402	9.7
123.08043	6.4
123.11678	43.9
125.02449	1.0
125.09608	1.4
127.01532	3.4
127.05788	0.8
127.07536	4.4
129.05450	6.0
129.06940	4.8
133.02802	0.8
135.07858	0.8
137.05936	2.2
137.09595	5.4
137.13225	3.1
138.09166	0.8
140.04655	2.2
141.06958	14.8
147.06523	1.6
147.08012	5.5
147.11659	50.5
153.06949	1.6
153.09087	0.9
153.54504	0.8
154.14052	1.1
155.07004	2.7
155.08539	7.7
164.72079	0.9
165.05515	1.4
165.07684	1.2
165.09071	8.9
165.12712	27.6
168.09322	3.4
183.06497	1.6
183.08072	3.0
183.10077	3.6
183.11670	12.0
183.13786	3.6
184.07317	1.3
184.09673	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.065
Annotation	Methyl vanillate
Peak:m/z	Relative Intensity
51.02367	0.9
51.44625	0.5
53.03938	12.9
55.01861	5.4
55.05510	2.7
57.03422	1.9
61.02922	2.0
65.03933	3.7
67.05492	10.6
69.03419	17.5
69.07055	1.5
69.51177	0.5
69.57850	4.6
70.06576	0.9
71.04977	1.9
72.08153	1.2
73.02911	1.8
77.03915	2.0
79.05480	1.9
81.03387	3.8
81.07047	2.3
83.04961	6.5
84.08137	2.0
85.02898	4.4
85.06508	0.7
87.04445	2.6
91.03905	0.5
91.05474	2.1
93.03407	1.0
93.07027	3.4
95.04951	100.0
95.08592	4.3
96.05296	2.1
96.08116	0.7
97.06525	1.1
97.72992	0.6
98.98444	4.5
99.04460	4.7
100.07600	1.3
105.03371	4.3
105.04503	4.1
105.07030	2.0
107.04990	0.6
107.08589	1.1
108.02101	1.0
109.06528	1.5
109.10136	2.2
109.47703	0.6
111.04418	4.6
119.01862	0.7
119.08578	3.2
121.03962	0.7
121.10137	1.1
123.04408	95.0
123.08015	3.5
124.04758	1.7
124.07580	6.8
125.02343	3.2
125.05953	1.4
125.09598	0.9
127.01555	0.9
127.07505	0.9
129.05475	3.8
133.02831	1.4
137.05974	2.8
137.09587	3.4
138.09081	1.1
140.04659	32.5
142.03503	0.8
142.18446	0.5
147.06511	1.1
147.08046	0.8
151.03874	0.8
155.07001	31.8
156.07343	1.1
165.05487	3.2
165.07620	0.7
165.09109	2.3
165.55469	0.5
166.08607	1.9
181.17041	0.6
183.06529	10.2
183.08034	1.0
183.09991	1.3
183.11409	2.0
183.13747	0.8
184.09625	0.9
203.05486	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76098	0.2
62.54925	0.2
69.87885	1.3
70.06652	0.2
82.99807	1.5
88.91942	0.2
100.02463	0.6
101.00866	21.9
118.03494	0.8
119.01905	100.0
124.02417	2.8
136.04572	0.5
137.02937	30.9
141.13411	0.2
142.03481	36.3
143.03589	0.6
160.04538	16.4
161.02942	7.2
161.04320	0.4
165.05080	1.0
178.05554	2.4
179.03990	11.4
179.05585	0.6
183.43153	0.2
202.05617	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.065
Annotation	Methyl vanillate
Peak:m/z	Relative Intensity
51.02367	0.8
53.03939	13.6
55.01865	5.0
55.05498	3.8
55.99937	0.5
56.05025	0.6
57.03424	2.9
57.07081	0.7
59.04994	0.5
61.02914	2.0
65.03931	4.3
67.05495	9.9
69.03419	18.4
69.07052	2.9
70.06588	1.3
70.78033	0.6
70.78357	1.4
71.04980	6.8
72.08144	2.7
73.02908	1.9
77.03918	1.6
79.05492	2.6
81.03404	3.7
81.07039	4.1
82.37643	0.6
83.04962	6.4
84.08137	2.5
85.02885	4.5
85.06533	0.8
86.09675	0.7
87.04462	2.2
91.05460	2.6
93.07049	2.9
95.01308	0.6
95.04950	100.0
95.08591	4.9
96.05299	1.3
97.02876	0.5
97.06516	2.2
98.09632	0.5
98.98442	4.7
99.04436	11.6
99.08056	0.7
100.07578	1.7
101.02310	0.6
103.03960	1.1
105.03386	5.8
105.04489	6.3
105.07004	2.1
107.08562	2.8
108.02103	0.7
109.02862	0.8
109.06499	1.8
109.10158	2.0
110.03689	0.8
111.04418	5.1
111.24116	0.5
113.09612	1.2
113.60004	0.5
119.01911	0.9
119.08553	3.2
121.03957	0.7
121.10104	1.0
122.03629	0.6
123.04405	92.1
123.08027	2.0
123.11715	1.8
124.04688	1.1
124.07602	1.8
125.02329	4.7
125.05999	1.6
125.09596	1.3
127.01519	1.0
127.07536	2.1
129.05461	3.6
133.02802	1.2
136.06067	0.6
137.05949	2.1
137.07903	1.9
137.09598	3.4
138.09106	1.1
140.04655	30.1
140.14270	1.1
142.45697	0.5
147.04388	0.5
147.06464	1.3
147.07980	0.6
147.11591	0.6
155.07004	28.5
156.07307	0.6
162.65327	0.9
165.05486	2.5
165.07458	1.2
165.09091	2.7
165.12788	0.7
166.08582	1.1
167.26488	0.5
183.04858	1.2
183.06488	11.1
183.08136	2.3
183.10010	1.2
183.11490	1.3
183.13730	2.6
184.09706	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39898	0.1
53.03926	0.9
54.12062	0.1
55.01871	0.2
55.05509	0.3
57.03425	0.2
57.07072	0.2
58.56034	0.1
61.02907	0.1
63.11022	0.1
65.03933	0.4
67.05486	0.6
69.03417	0.9
69.07054	0.2
70.02925	0.2
72.08131	0.1
77.03939	0.4
79.05471	1.0
80.05019	0.2
81.03395	0.3
81.07034	0.7
81.11567	0.1
83.04971	0.4
84.08134	0.3
84.17140	0.1
85.02880	0.2
91.05458	3.7
92.05820	0.1
93.05762	0.7
93.07022	2.9
93.43575	0.1
94.06583	0.4
94.07343	0.2
95.04945	2.7
95.08581	0.2
96.05296	0.1
98.06063	0.2
98.21468	0.4
98.98487	0.1
100.07603	0.4
105.03383	0.2
105.04495	0.4
105.06992	0.1
106.07263	0.1
106.46343	0.1
108.04473	0.4
108.08098	2.4
108.08784	0.2
109.06528	0.2
111.04444	0.4
118.06472	0.1
122.06015	0.9
122.06787	0.2
122.10456	0.3
123.04412	1.0
125.02358	0.1
125.05969	0.2
126.05496	2.0
126.06325	0.2
126.09099	0.2
129.05383	0.1
136.07547	100.0
137.06058	0.1
137.07899	2.0
138.06345	0.2
140.04640	0.2
140.07018	2.8
150.06374	0.1
154.08589	0.8
155.06944	0.2
164.07027	69.0
165.07385	1.3
182.00946	0.2
182.08025	1.8
182.09271	0.1
182.12671	0.1
182.15341	0.4
182.18968	0.2
183.06540	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.1536
Annotation	(+)-Myrioxazine B
Peak:m/z	Relative Intensity
53.03930	0.6
55.01847	0.9
55.05499	4.7
56.64732	0.4
57.03419	1.3
57.07051	1.8
58.02952	22.2
64.45088	0.3
67.05122	0.5
67.05492	13.0
69.03421	2.9
69.07056	46.7
70.03626	1.8
70.06561	1.6
70.07385	0.7
71.04990	0.5
71.08593	0.5
72.08149	0.9
74.06054	1.0
79.05482	3.7
81.07043	13.4
82.06549	0.7
83.04961	2.0
83.08608	5.7
84.04424	0.5
84.08131	6.7
84.63367	0.4
85.02892	0.7
86.06040	0.8
91.05456	3.0
93.07028	6.9
95.04925	1.8
95.08592	4.2
97.06526	2.6
98.06011	2.0
98.09673	1.5
98.97557	1.3
98.98426	1.1
99.97917	0.9
100.07598	6.2
105.07016	10.1
107.08575	11.8
109.06507	1.2
109.10139	35.2
110.10468	1.1
111.04433	0.6
112.07587	2.1
114.09149	12.4
116.98624	0.4
117.98923	0.7
119.08578	1.1
121.10111	1.2
123.04385	0.8
123.08077	0.7
123.11691	5.5
126.09141	11.6
126.12804	1.2
128.10680	0.8
133.10106	24.8
134.99612	0.8
135.11673	13.6
135.12703	0.8
135.99985	0.7
136.07520	0.9
136.12027	0.5
137.13240	0.9
138.12758	15.2
140.10695	1.1
140.14308	0.5
147.11656	3.9
151.11156	11.1
152.11394	0.4
153.12727	10.2
154.08591	1.5
154.15897	1.0
164.07037	0.4
164.14284	2.5
165.12677	2.3
182.15373	100.0
183.15717	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	181.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05269	2.4
55.05510	39.4
56.05011	6.4
57.04539	5.9
57.07069	19.4
59.06115	4.0
60.64379	2.1
67.02981	13.0
67.05492	4.5
68.05010	5.3
68.63039	1.8
69.07063	100.0
70.06583	4.6
71.04978	2.1
71.06094	6.5
71.08622	5.2
79.05475	3.9
80.04996	2.8
81.04539	2.7
81.07027	4.4
82.06569	3.1
83.04954	5.8
83.06077	3.0
83.08142	3.1
83.08611	37.7
84.08077	2.4
85.07652	2.9
85.10161	3.8
85.12581	2.1
86.06017	2.4
91.05481	2.3
93.07022	4.1
95.04960	3.4
95.06076	3.2
95.08567	4.9
97.06505	3.5
97.07622	8.6
97.10159	26.8
98.06097	2.6
98.07166	12.2
99.05570	35.6
99.09223	2.1
107.08597	4.0
109.10125	2.7
110.07153	5.1
111.05505	2.8
111.09180	3.4
111.11720	14.4
112.05090	3.1
112.08712	2.6
114.10311	2.2
121.10155	4.6
122.05975	3.0
122.07130	8.2
123.05523	3.4
123.08131	2.3
123.09174	6.3
125.05972	7.7
125.07065	2.3
125.13258	4.6
126.06656	2.5
135.07977	2.2
135.11679	3.4
136.07614	4.0
136.08685	2.6
138.06624	4.0
138.10193	6.0
139.06149	15.1
139.08755	3.7
139.09756	9.5
140.08153	9.6
148.05128	2.4
149.08170	10.9
154.08589	4.2
158.95969	1.9
163.09868	3.0
163.11143	8.4
164.06999	4.0
164.08247	2.3
164.11832	2.9
181.06021	8.2
181.08463	6.2
181.10976	19.5
181.12248	10.2
181.14459	11.0
182.00888	4.9
182.08020	4.5
182.19113	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	182.0808
Annotation	3-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
51.02379	0.2
53.03930	1.1
55.05495	0.3
65.03933	0.5
67.05489	0.8
69.03419	0.5
69.07048	0.4
69.61165	1.1
71.04981	0.3
77.03922	0.5
79.05482	0.8
81.03389	0.3
81.07053	0.6
83.04963	0.3
83.08601	0.3
84.08103	0.2
91.05459	3.6
93.05768	0.6
93.07030	2.9
94.06548	0.5
95.04945	2.6
95.08585	0.2
97.06538	0.5
99.04453	0.7
100.07614	0.2
101.06042	0.1
105.03382	0.2
105.04496	0.3
107.08565	0.3
108.04456	0.5
108.08110	2.3
108.08820	0.2
109.06507	0.2
111.04445	0.2
119.04962	0.2
121.10088	0.2
122.06022	1.1
122.10452	0.2
123.04408	0.6
123.11656	0.3
125.06001	0.3
126.05501	2.0
126.06303	0.3
136.07549	100.0
137.07918	1.6
140.04628	0.3
140.07030	3.3
147.80260	0.1
154.04933	0.1
154.08597	0.4
155.07018	0.2
164.07030	70.7
165.07385	1.5
182.05855	0.2
182.06477	0.1
182.08066	1.4
182.19054	0.2
183.09085	0.2
183.13783	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1218
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03932	2.1
55.01840	2.4
55.05503	26.4
55.06253	1.0
56.96553	5.8
57.03417	2.0
57.06817	1.5
57.07067	15.1
60.05565	1.0
63.76713	0.9
67.05489	8.9
69.03410	2.4
69.07053	5.2
71.04144	2.9
71.04984	1.2
71.95248	1.3
79.05478	6.1
81.03421	1.4
81.07043	11.2
83.04974	17.9
83.07317	1.0
83.08605	1.8
85.06548	5.8
91.05470	7.1
93.07025	21.6
93.85682	1.0
95.04942	4.8
95.08588	15.5
97.06512	12.5
98.97565	44.6
102.88014	1.0
105.07024	7.3
107.04940	2.2
107.08574	23.6
109.06480	6.8
109.10127	3.5
111.04424	100.0
111.08056	5.6
112.04784	1.0
113.05983	3.0
116.97280	2.1
116.98600	49.3
117.06993	2.2
119.08561	2.0
121.06496	5.9
121.10120	6.2
122.07268	2.9
123.08027	3.0
125.05968	47.4
125.09584	1.3
127.07520	3.5
130.07727	2.9
134.99638	42.6
135.04378	1.0
135.08020	21.7
135.08984	1.9
135.11656	20.7
136.07521	1.0
137.06023	1.2
138.06747	1.8
139.07497	3.2
140.00157	5.1
145.10095	19.6
149.05959	1.1
153.00696	8.4
153.12703	5.9
154.08595	3.5
158.01248	9.6
163.03873	1.2
163.11156	23.9
163.14810	1.7
164.07014	1.1
176.02249	2.3
181.08565	4.0
181.12193	41.9
181.15810	1.9
182.08069	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	181.122
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
51.02387	0.9
53.03923	3.6
55.01853	2.9
55.05499	10.5
56.96541	3.8
57.03413	1.8
57.07064	29.0
57.52747	0.8
59.04972	3.9
65.03929	5.4
67.05481	8.2
69.03410	4.4
69.07051	5.4
69.67925	5.4
71.04979	4.7
72.08121	1.6
75.04449	0.8
79.05054	1.5
79.05476	15.8
81.03403	8.2
81.07034	12.0
82.04174	1.5
83.04963	58.1
83.08134	1.3
83.08601	22.1
84.05291	1.0
84.08116	2.5
85.02879	3.4
85.06515	3.3
89.03912	1.2
91.05459	17.3
93.03360	3.3
93.07024	24.7
95.04947	27.4
95.08578	5.5
97.02872	5.9
97.06512	34.4
98.06815	1.1
98.20811	1.5
98.97566	23.3
99.04411	3.3
100.07609	1.4
103.05435	7.4
105.07012	7.0
106.04120	1.4
107.04929	5.4
107.08578	18.4
108.08076	1.6
109.06490	3.9
109.10092	2.6
110.03620	1.4
111.04424	2.1
111.08034	3.0
116.97227	1.7
116.98601	25.8
117.03336	1.5
117.06989	3.8
119.04907	2.8
119.08534	3.9
121.02811	1.6
121.06483	23.8
121.10120	26.6
122.06772	1.2
123.04403	2.8
123.08039	3.4
125.05968	99.1
126.05473	1.5
126.06302	1.5
130.07797	1.2
134.99637	25.1
135.04366	3.6
135.08043	5.8
135.11665	13.8
136.07547	70.4
137.05959	9.7
137.09550	2.4
137.13216	1.0
138.03119	1.2
138.06689	1.9
139.07465	2.5
139.11182	1.6
140.00145	1.4
140.07008	1.5
145.02797	1.1
145.10092	11.4
147.04282	1.2
148.05168	8.2
149.02283	2.0
149.05957	14.2
151.07539	1.2
153.00706	5.3
153.05534	1.5
153.06973	1.3
153.09105	3.2
154.06490	1.6
154.08537	1.0
158.01202	3.6
163.03860	10.6
163.07466	2.4
163.11145	100.0
163.14803	2.4
164.07033	46.4
164.11475	3.2
166.06239	2.0
171.06496	1.7
181.04950	18.7
181.08644	29.8
181.12183	50.8
181.15717	2.5
182.08122	3.4
182.12555	1.0
199.10944	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.122
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
53.03948	1.5
55.05502	2.5
56.96549	3.4
57.03434	1.1
57.07067	29.9
57.40694	1.0
59.04988	3.0
67.05477	3.5
69.03409	1.5
69.07066	5.8
69.27551	1.1
76.30936	1.1
77.70692	1.2
79.05488	9.5
81.03424	7.5
81.07035	4.5
83.04970	57.9
84.04106	1.1
91.05462	2.5
93.07003	7.0
95.04960	20.7
97.06519	30.1
97.45102	1.0
98.97565	19.7
105.07022	3.3
107.04923	1.4
107.08578	7.8
116.97202	3.9
116.98596	22.4
116.99380	0.8
117.06976	2.3
119.08563	2.5
121.06491	2.7
121.10128	11.0
123.08079	2.2
125.05975	92.4
126.06335	1.6
134.99634	18.4
135.08005	1.3
135.11667	4.4
139.98795	1.4
140.00125	2.7
145.10092	8.8
153.00673	2.0
154.08667	1.6
158.01251	6.5
163.03886	2.4
163.11159	100.0
164.05486	1.2
164.07002	1.2
164.11526	2.2
181.10558	2.5
181.12201	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	181.1219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.7
55.05481	1.9
56.96544	2.3
57.06793	1.4
57.07065	27.3
59.04971	3.2
65.45033	0.7
67.05479	1.6
69.07056	4.0
71.18230	2.4
79.05471	8.4
81.03398	6.5
81.07021	3.9
83.04964	53.3
91.05434	1.8
93.07018	7.3
95.04947	18.4
95.08596	1.5
97.06511	30.6
98.97565	15.2
105.06998	3.0
107.04897	3.1
107.08567	6.3
116.97179	3.3
116.98596	18.7
117.07008	1.5
119.08549	2.8
121.06470	2.4
121.10128	11.3
125.05969	100.0
126.06297	1.5
127.82223	0.8
130.07730	1.3
133.49240	0.9
134.99629	16.7
135.11679	4.9
140.00188	1.6
145.10117	8.1
153.00684	2.6
154.08528	1.3
158.01285	4.0
163.03854	1.1
163.11150	91.4
164.11491	2.3
176.02235	1.1
181.12195	40.1
198.25385	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0492
Annotation	cis-2,4-Dihydroxycinnamic acid
Peak:m/z	Relative Intensity
53.03946	1.0
55.01872	0.5
55.05497	0.8
56.48424	0.4
56.96553	2.8
57.03432	0.4
63.02364	0.6
65.03936	1.4
67.05498	0.9
69.03425	0.6
69.07064	0.5
70.06572	0.8
70.51317	1.2
71.04987	0.5
71.95258	0.6
72.08143	0.8
78.88020	0.3
79.05480	3.7
81.03398	1.7
81.07056	0.6
83.04973	0.7
83.94951	0.3
84.08115	1.8
85.02866	0.5
85.49541	0.3
85.73576	0.3
89.03899	12.7
91.05463	13.3
92.84785	0.3
93.03372	0.5
93.07021	2.6
94.04160	1.1
95.04951	1.9
95.08591	0.4
96.08138	0.3
97.06541	0.5
98.97564	26.7
100.07573	0.6
103.05446	3.3
107.04279	0.5
107.04937	6.3
107.08582	1.2
108.08104	0.4
109.02837	0.6
110.07135	0.3
111.04429	1.8
112.11219	0.3
112.55704	1.1
114.40823	0.3
116.98598	28.9
117.02518	0.6
117.03352	14.7
119.04915	16.0
120.05257	0.4
121.02866	0.6
121.06461	2.8
121.10145	0.9
122.03611	4.0
122.06001	0.6
125.05964	1.5
126.09120	0.4
131.04916	4.8
134.99631	20.5
135.04385	32.0
135.06740	2.7
135.07999	1.5
135.11638	0.5
136.05206	2.7
136.07520	2.0
137.05949	60.8
138.06277	1.1
139.03912	1.7
140.00154	1.1
145.02817	18.8
149.05962	2.7
151.06273	0.8
151.07507	14.3
151.25102	0.3
153.00688	3.4
153.05405	0.6
153.09029	0.4
153.10217	0.4
154.08621	0.7
158.01273	2.7
160.51263	0.4
163.03868	100.0
164.04218	2.4
164.06987	1.4
166.06236	0.5
176.02289	0.8
181.04977	3.0
181.06358	0.7
181.07167	0.4
181.08376	2.5
181.09883	0.7
181.12149	1.4
182.08092	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.122
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
52.12729	0.4
52.71749	0.4
53.03923	0.4
55.01842	0.5
55.05492	1.5
56.96327	0.4
56.96553	4.6
57.03418	0.6
57.07049	1.8
59.04990	2.5
67.05483	1.9
68.47389	0.4
69.03416	1.0
69.07054	3.0
69.57268	0.4
71.04945	0.7
71.52917	0.7
71.95226	0.5
73.02898	0.6
79.05476	4.1
81.07038	5.2
81.85778	0.4
83.04950	2.0
83.08620	0.4
91.05470	2.9
91.05984	0.5
93.06470	0.8
93.07033	12.1
95.04955	2.3
95.08593	11.0
97.02869	0.7
97.06518	2.2
97.91496	0.4
98.97565	37.1
103.05474	0.8
105.06995	2.4
106.40797	0.5
107.04922	1.7
107.08575	19.8
108.08932	0.9
109.06502	1.0
109.10143	1.6
111.04395	0.8
111.08088	0.9
113.41103	0.4
116.97218	1.4
116.98598	42.7
117.07008	0.9
119.08546	2.1
120.30511	0.5
121.06485	4.0
121.10120	12.7
122.02364	0.6
122.06013	0.5
123.08054	3.0
125.05965	4.4
133.70889	0.4
134.99634	34.3
135.04390	0.9
135.08025	1.3
135.11665	29.7
136.07494	1.2
136.12045	0.6
137.05919	0.7
137.09518	0.7
137.13275	0.7
139.07510	5.3
140.00169	4.1
140.95081	0.5
145.10086	7.7
149.02325	0.5
149.05939	1.1
153.00681	6.6
153.12715	1.9
154.08606	1.3
158.01245	6.8
163.03874	2.5
163.07492	0.6
163.11148	23.7
164.07033	0.4
164.11438	0.5
165.06926	0.6
166.07733	1.0
176.02283	1.3
181.02754	0.8
181.04903	1.0
181.08636	2.4
181.12196	100.0
182.12573	3.0
204.04121	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.1016
Annotation	N-Methyl-L-phenylalanine
Peak:m/z	Relative Intensity
52.65054	0.2
53.03947	0.3
55.01861	0.4
55.05487	0.4
56.05001	0.5
56.96332	0.2
56.96558	2.7
57.03418	0.3
57.43045	0.2
57.86621	0.2
65.03899	0.5
67.05487	0.5
68.05014	0.3
69.03407	0.8
69.07042	0.5
70.06577	1.3
71.04958	0.3
71.11786	0.5
71.95234	0.3
72.08142	1.1
79.05476	2.2
80.04996	0.4
81.03387	0.5
81.85123	0.2
83.04946	0.5
83.08585	0.3
84.08125	2.6
85.02879	0.9
86.09679	1.2
88.03945	1.1
89.03896	2.3
91.05460	1.5
92.05775	0.3
93.07028	1.7
94.06534	0.3
95.04918	1.1
96.08124	0.4
97.02824	0.5
97.06494	0.3
98.97563	14.9
99.04425	0.3
103.05437	3.8
105.07004	2.4
106.06535	0.7
106.07317	0.4
107.04933	4.2
107.08585	0.3
108.04461	1.4
109.02866	0.3
110.03442	0.3
110.34780	0.2
111.04418	0.5
112.07571	0.4
112.11204	0.2
112.55718	4.0
116.98596	17.7
117.03366	2.8
117.07040	0.4
118.06470	0.6
119.04913	0.8
119.07300	8.2
120.05232	0.2
120.08080	0.5
121.06481	1.0
122.06039	0.4
123.04401	0.3
124.03919	0.4
125.05971	0.4
126.55438	0.8
127.03859	0.4
128.02414	0.3
129.10190	0.3
130.08659	0.4
131.04887	2.2
134.06111	1.3
134.09624	100.0
134.99631	13.6
135.04393	6.6
135.06760	6.1
135.07851	0.3
135.09981	2.9
136.07585	0.3
137.05965	2.6
138.05421	0.3
138.06450	0.3
138.09094	0.5
139.03886	0.3
140.00159	0.9
145.02806	3.7
146.03151	0.3
147.04419	0.3
147.11267	0.5
148.04736	0.3
149.05876	1.2
151.07497	0.4
152.07054	1.3
153.00674	2.2
155.16656	0.2
158.01233	1.4
162.05473	0.3
162.09068	2.1
163.03865	19.1
175.11885	0.3
179.08611	0.3
180.03862	0.5
180.06076	3.5
180.08737	2.8
180.10178	13.0
181.02982	0.3
181.04857	0.8
181.08560	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.1015
Annotation	N-Acetyltyramine
Peak:m/z	Relative Intensity
51.02365	0.3
53.03929	0.4
55.01854	0.4
55.05481	0.5
56.05003	0.2
56.96544	0.6
64.08805	0.2
65.03921	0.2
67.05489	0.3
69.03406	0.6
69.07049	0.4
70.06571	0.3
70.69270	0.2
71.04973	0.4
71.53741	0.3
72.08144	1.4
79.05482	0.9
81.03396	0.2
81.07031	0.4
83.04956	0.2
84.08128	0.9
85.02892	0.4
88.02107	0.2
89.03920	0.3
91.05453	1.8
92.05788	1.0
93.07026	2.5
93.07558	0.3
94.06509	0.2
95.04962	1.0
95.08576	0.3
96.35785	0.2
98.96929	0.2
98.97567	3.2
99.63219	0.2
103.05449	6.3
104.05739	0.2
105.06992	0.6
106.06526	0.6
106.07368	0.3
106.43196	0.2
107.04970	0.2
107.08582	0.4
108.04458	0.9
109.02883	0.2
109.06494	0.2
110.06022	0.2
111.04412	0.4
112.07624	0.3
112.11262	0.3
116.98598	3.4
117.03362	0.3
118.06520	0.3
119.04918	0.9
119.07257	0.2
120.05286	1.9
120.08081	100.0
121.06479	5.8
121.08404	2.1
121.10110	0.4
123.08064	0.2
124.03959	0.2
124.07584	0.3
125.05962	0.4
127.03890	0.3
129.13855	0.2
131.04926	1.3
134.05960	0.5
134.09612	0.3
134.99620	2.8
135.04387	0.8
135.08046	0.8
136.07600	0.2
137.05922	1.1
138.06329	0.3
138.09149	0.4
139.03886	0.2
145.02795	0.3
146.16301	0.2
147.04343	0.3
148.03624	0.2
148.04720	3.9
149.02324	0.2
149.05977	0.4
149.13055	0.5
151.07408	0.2
152.06949	1.0
153.00687	0.6
158.01251	0.3
162.05418	0.4
162.09076	1.1
163.03859	2.2
163.07539	1.5
163.11148	0.4
165.01816	0.2
180.03867	0.5
180.06525	1.1
180.07693	0.8
180.10085	4.8
180.13756	0.5
181.04994	1.0
181.08623	0.4
181.12123	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36330	0.1
53.64056	0.1
56.96557	1.2
59.63169	0.1
60.04531	0.1
64.62152	0.1
67.05515	0.2
67.22017	0.1
69.03428	0.2
70.95467	0.1
70.95812	0.2
77.03878	0.1
79.05488	0.2
80.04996	0.1
80.74766	0.1
83.04986	0.1
84.04485	0.1
88.03951	0.1
89.01246	0.1
91.05452	0.9
91.16772	0.1
93.06472	0.2
93.07030	1.7
94.06532	0.1
95.04375	0.1
95.04955	0.3
97.99196	0.1
98.06071	0.1
98.20928	0.1
98.97559	2.9
103.05444	5.4
105.07043	0.1
106.06575	0.1
106.07337	0.2
107.04967	0.1
107.08529	0.1
108.04440	0.2
111.04390	0.1
112.07626	0.1
116.00186	0.2
116.98600	3.3
118.06512	0.2
120.08076	100.0
121.06475	4.6
121.08405	2.3
121.10060	0.2
125.05981	0.2
131.04895	1.3
134.05945	0.2
134.06859	0.1
134.98634	0.2
134.99632	3.3
135.08011	0.3
136.07532	0.1
137.05914	0.2
138.09096	0.2
140.00145	0.3
141.35207	0.1
145.10046	0.1
148.04768	0.2
152.07074	0.1
153.00676	0.7
158.01198	0.6
162.06299	0.4
162.09091	0.5
163.03842	0.2
163.07518	1.2
163.11160	0.2
166.07727	0.1
172.46906	0.1
176.02272	0.1
180.03827	0.1
180.06578	0.5
180.08023	0.2
180.10135	3.8
180.17316	0.1
181.08557	0.2
181.10173	0.3
181.12015	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.1016
Annotation	N-Methyl-L-phenylalanine
Peak:m/z	Relative Intensity
53.03934	0.3
55.01860	0.5
55.05497	0.3
56.05023	0.6
56.96556	2.0
57.03415	0.4
59.61500	0.2
60.04503	0.4
65.03918	0.5
67.05486	0.6
68.05011	0.2
69.03407	0.7
70.06565	1.0
70.63937	0.5
70.64292	0.5
71.95222	0.4
72.08153	1.2
79.05464	2.7
80.04999	0.4
81.03395	0.3
81.07005	0.3
83.04964	0.3
84.08126	1.9
85.02888	1.0
86.09679	1.2
88.03975	1.3
89.03895	2.1
89.56276	0.2
91.05437	1.7
93.03368	0.3
93.07030	2.0
94.06548	0.3
95.01295	0.2
95.04961	0.5
95.08591	0.3
98.97562	13.8
99.04446	0.3
100.07597	0.5
103.05452	3.4
105.07020	2.6
106.06543	0.6
107.04939	3.8
108.04491	1.3
109.05913	0.4
110.03504	0.5
110.06036	0.4
111.04402	0.3
112.07574	0.7
112.55727	3.3
116.07037	0.4
116.98599	15.5
117.03354	2.7
117.07001	0.5
119.04023	0.2
119.04929	0.8
119.06438	0.5
119.07300	8.5
120.04459	0.3
120.05275	0.3
120.08076	0.4
121.06487	1.3
121.10159	0.3
122.03620	0.2
124.03941	0.3
124.07598	0.3
125.03425	0.4
126.55450	1.0
127.03914	0.6
129.10210	0.5
130.08667	0.5
130.39255	0.2
131.04909	1.9
134.06100	1.6
134.09625	100.0
134.99628	12.4
135.04396	6.4
135.06755	5.9
135.07906	0.3
135.09964	2.5
136.07556	0.4
137.05988	1.7
138.05472	0.4
138.09064	0.3
139.03917	0.3
140.00169	0.4
145.02812	3.3
145.03856	0.3
145.04881	0.3
147.11322	0.3
148.03575	0.3
148.04764	0.7
149.05933	1.0
151.06061	0.2
151.07516	0.3
152.07022	1.4
153.00659	2.4
154.58945	0.3
158.01251	1.5
162.09113	1.9
163.03873	19.2
163.07510	0.5
165.07874	0.4
169.38832	0.3
176.02185	0.4
179.27541	0.3
180.03760	0.5
180.06007	4.2
180.08731	3.4
180.10178	13.5
181.04903	0.6
181.08521	0.4
181.12112	0.3
189.95546	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1427
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
55.01851	1.4
55.05505	1.4
57.07068	5.6
57.16891	0.5
59.04988	4.9
61.04587	0.5
67.05481	2.3
69.07045	1.2
69.31262	1.8
69.31684	3.3
79.05471	1.3
81.07037	5.4
83.08594	1.2
90.78428	0.5
91.05460	1.5
93.07014	2.0
95.04972	0.6
95.08591	7.0
96.52361	0.5
98.20632	0.5
105.07025	2.6
107.08562	1.2
109.06501	13.9
109.10129	1.8
119.04895	0.9
119.08548	4.2
121.10118	17.8
122.10384	0.7
123.08044	100.0
124.08376	2.3
133.02914	0.6
133.06537	0.6
133.10109	1.5
135.11673	17.4
136.00301	0.6
136.02087	0.9
137.08238	1.1
137.09598	3.8
137.13228	22.7
147.04376	2.3
151.11131	1.3
161.05916	1.3
161.13264	2.3
162.09067	0.6
164.04025	1.5
175.27943	0.5
179.03362	2.8
179.06335	8.2
179.08238	0.9
179.10620	1.3
179.14275	15.3
180.06618	0.7
180.08057	0.9
180.10231	1.1
180.14600	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06044	0.3
55.01867	2.1
55.05500	0.8
57.03431	0.3
57.07067	2.7
59.04992	3.0
65.03928	0.5
67.05492	0.6
69.07059	0.7
69.36688	0.6
69.37093	1.8
76.02224	0.9
79.05486	1.3
81.03468	0.3
81.07050	3.6
83.08591	0.8
84.08146	0.4
85.02892	0.3
91.05468	8.4
93.07025	1.8
94.04173	0.8
95.04941	1.4
95.08594	3.8
100.07615	0.7
105.03403	0.8
105.07008	3.7
107.04963	0.5
107.07973	0.3
107.08556	1.5
109.05794	0.6
109.06507	8.9
109.07261	0.4
109.10138	1.5
111.53549	0.3
113.26917	0.3
116.01581	0.3
117.06976	0.3
119.04923	8.3
119.08578	3.7
119.59917	0.4
121.06533	0.7
121.09235	0.3
121.10125	9.3
122.03651	1.9
123.04420	1.0
123.08047	63.8
124.08374	1.5
133.02771	0.4
133.06488	1.3
133.10103	2.6
134.05963	0.3
135.11670	9.9
136.05182	2.1
137.05957	59.1
137.09552	3.1
137.13229	13.1
138.06317	2.0
146.03651	0.4
147.03242	0.6
147.04390	10.2
147.05530	0.6
147.09138	0.3
151.07520	2.9
151.11162	1.0
161.05992	2.3
161.09637	0.8
161.13251	0.8
164.04665	9.0
169.82320	0.3
179.03763	2.5
179.07005	100.0
179.14250	8.3
180.07361	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	179.0699
Annotation	Isoferulaldehyde
Peak:m/z	Relative Intensity
55.01857	2.5
55.05492	0.7
57.07065	2.1
59.04987	1.8
65.03916	0.5
66.25130	0.2
67.05489	0.9
69.03397	0.3
69.61164	1.7
72.27848	0.2
76.02212	0.6
77.03947	0.2
79.05466	1.2
81.07037	2.5
83.04965	0.3
83.08596	0.5
84.08123	0.6
87.08643	0.3
91.05459	6.5
93.07004	1.6
94.04165	0.4
95.04971	1.2
95.08586	3.0
98.20773	0.3
100.07602	0.5
103.05443	0.4
105.03376	0.9
105.07003	2.9
107.08576	0.9
108.05733	0.3
109.06493	6.0
109.10114	0.7
115.05445	0.3
119.04910	7.0
119.08549	2.9
119.59972	0.3
120.09291	0.3
121.06451	0.6
121.10118	6.7
122.03631	1.8
123.04430	1.2
123.08038	38.0
124.08382	0.3
133.02811	0.5
133.06429	0.9
133.09421	0.2
133.10124	2.5
134.05994	0.3
135.04364	0.3
135.11671	6.6
136.05190	2.2
137.05945	54.4
137.09546	2.6
137.13222	8.5
138.06255	1.1
146.03612	0.6
146.61139	0.3
147.03233	0.4
147.04381	7.7
148.66826	0.2
149.05974	0.4
151.03911	0.3
151.07512	2.5
151.11099	0.4
161.05945	2.1
161.09557	0.6
161.13216	1.0
164.04671	8.7
179.03763	2.0
179.06993	100.0
179.14238	5.3
180.07356	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	177.1635
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
52.27476	1.4
55.05499	10.8
57.07058	2.0
64.05211	1.5
67.05494	7.2
67.26764	1.3
69.06720	2.2
69.07055	24.8
70.83255	3.4
70.83590	2.4
79.05477	20.9
81.07041	59.9
83.08600	13.8
88.02196	8.6
89.03880	7.8
91.05458	8.3
93.06475	2.7
93.07029	37.1
95.04926	1.9
95.08591	55.4
97.10143	6.3
98.98447	5.2
105.07019	6.0
107.08575	95.2
108.08902	2.1
109.06468	2.4
109.10139	16.3
117.03375	15.5
119.08542	2.3
121.10123	100.0
122.10520	1.7
134.03618	3.0
135.11667	17.9
145.01764	2.3
145.02820	24.1
149.02335	3.5
149.06000	8.1
149.13242	7.7
153.93680	2.9
162.03102	1.9
177.05409	10.9
177.06653	1.4
177.12712	3.1
177.16356	89.8
178.08592	2.1
178.16711	1.4
186.05490	3.4
199.16093	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	177.0544
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
51.03631	0.3
53.03944	0.3
55.01886	0.3
57.07060	0.8
63.02364	0.6
67.14336	0.4
69.18054	3.6
69.18476	0.7
78.04709	2.1
79.05481	0.6
89.03905	33.7
90.04232	0.5
91.05477	2.5
93.07042	0.4
95.04946	0.9
98.21525	0.7
98.98446	0.5
103.05453	1.4
105.03381	0.5
105.06986	0.3
106.04166	2.8
117.03364	62.4
118.03703	1.4
119.04898	0.7
121.06501	1.2
121.09279	0.3
124.05228	0.6
134.03607	8.0
135.04414	4.7
145.02826	100.0
146.03151	3.0
149.05959	21.2
150.06316	0.6
158.06038	0.8
162.03078	1.4
163.03867	2.0
177.05449	38.6
177.12688	0.7
178.05798	1.1
186.05507	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	177.0543
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
62.01572	0.5
63.02355	0.7
65.03979	0.5
69.66776	2.9
78.04691	1.8
81.03427	1.0
89.03902	30.5
90.04224	0.4
91.05470	2.5
95.04951	0.8
98.20742	0.7
98.97566	0.6
98.98466	0.9
103.05451	1.2
105.03382	0.6
106.04153	2.6
117.03360	61.0
118.03716	1.5
119.04926	0.5
121.06495	0.9
121.10036	0.4
124.05190	0.5
134.03606	7.0
135.04398	4.2
145.02820	100.0
146.03189	3.1
149.05957	21.2
150.06313	0.8
157.13345	0.4
160.07608	0.6
162.03113	1.8
163.03841	2.7
177.05438	38.2
178.05788	0.9
186.05472	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	177.1271
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
50.78075	0.8
51.02372	1.3
53.03922	2.1
55.01864	4.2
55.05500	5.6
57.03431	1.8
58.06583	0.9
59.04979	1.1
63.02346	1.5
65.03920	2.4
67.05174	1.4
67.05500	20.6
67.05840	0.7
69.03407	2.1
69.07051	10.8
70.06572	1.0
71.04960	1.0
72.08131	3.6
78.04682	2.7
79.05478	25.3
81.03410	4.6
81.07040	31.5
83.04955	3.1
83.08627	4.4
84.08130	4.3
85.02873	1.8
85.06548	1.4
88.02229	4.5
89.03346	0.9
89.03900	26.4
91.05469	35.0
92.05755	1.1
93.07027	55.1
94.07323	1.3
95.04950	9.6
95.08591	14.5
97.06509	6.9
98.09679	1.6
98.98442	9.8
99.08056	1.7
100.07575	5.3
103.05448	4.3
105.03360	1.5
105.07016	20.4
106.04165	9.6
107.04966	6.1
107.07860	1.7
107.08569	29.8
108.08854	1.1
109.06503	5.1
109.10162	4.1
111.08047	2.8
112.11208	4.0
115.05421	1.6
117.03362	40.6
117.06994	18.3
118.03711	1.5
119.04922	1.1
119.08555	6.2
121.02832	1.2
121.06475	8.4
121.10123	21.7
124.05146	1.2
129.06970	1.5
129.13861	1.7
131.04898	2.7
131.08537	27.1
132.07954	1.1
132.08864	1.0
133.06380	1.3
133.10109	32.1
134.03632	7.9
134.10425	1.4
134.93394	1.0
135.04433	6.6
135.08040	8.2
135.11665	12.7
144.09308	2.6
145.02818	73.0
146.03177	2.9
147.04390	1.8
149.02328	9.7
149.05952	25.8
149.09569	5.9
149.13235	15.6
157.10033	0.9
158.05984	2.3
158.84549	0.9
159.04333	1.7
159.08031	2.7
159.11662	44.5
160.07466	0.9
160.11981	1.4
162.03067	3.3
163.03902	4.2
168.17757	0.8
171.64014	0.8
177.03868	1.0
177.05438	47.3
177.09048	10.6
177.12709	100.0
177.16252	12.9
178.04796	1.1
178.08636	2.8
178.13054	3.7
186.05482	4.8
193.31967	0.8
197.67819	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0106
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09902	0.7
58.33148	0.6
69.70694	4.3
69.71027	0.9
77.88587	0.6
79.45463	0.6
84.02357	0.6
94.49770	0.5
103.00121	0.6
114.27128	0.6
132.02097	100.0
133.02400	1.5
150.03140	1.5
153.79575	0.7
176.01082	28.1
176.10413	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1478
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03931	0.5
55.05499	8.1
57.07066	0.8
63.72181	0.5
65.03935	0.5
67.05492	3.0
69.07053	18.1
70.69170	1.3
70.69530	1.0
75.01614	0.6
75.27031	0.6
79.05459	2.7
81.07039	12.4
83.08604	3.6
91.05461	9.4
93.07018	3.9
95.08587	9.9
98.94859	0.5
98.98470	1.0
105.07008	28.5
107.08575	7.3
109.16346	0.5
115.05461	0.9
117.06978	3.0
119.08556	71.6
120.08918	1.8
121.10133	2.9
131.08525	3.7
132.09297	0.5
132.95709	0.6
133.10103	77.0
134.10475	2.2
135.11626	0.8
145.10072	5.3
146.10883	1.3
147.11652	7.9
155.77693	0.6
159.11674	0.7
160.12396	2.7
173.13229	1.7
175.07462	1.2
175.14786	100.0
176.15115	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	175.1478
Annotation	Ionene
Peak:m/z	Relative Intensity
51.52020	1.2
55.01855	3.0
55.05494	7.8
57.03409	2.0
59.04966	1.4
60.05610	2.4
61.02904	2.5
67.05472	5.5
69.03413	5.9
69.07049	9.9
69.79400	7.1
70.06589	6.2
72.08121	2.5
79.05461	5.2
81.07044	17.3
83.04952	1.4
83.08603	1.6
85.02887	45.5
86.06102	1.8
86.07883	1.1
87.04434	3.5
88.02168	1.6
90.65353	1.3
91.05460	16.6
92.90004	2.4
92.90493	1.9
93.07029	7.2
95.04950	1.2
95.08595	14.7
97.02876	9.2
98.98447	44.9
105.07008	42.6
107.08574	8.2
111.04398	2.5
115.03901	9.0
116.07107	1.3
116.97145	1.9
116.99432	2.9
117.06983	4.0
119.08556	77.7
120.08076	1.1
121.10112	1.6
125.02329	1.4
125.69296	1.2
127.03893	6.8
130.06477	3.1
131.08539	5.9
133.10100	66.2
139.03868	2.3
142.07751	1.9
145.10115	2.4
146.79521	1.1
147.08037	2.1
147.11655	18.1
151.93842	7.0
157.04231	1.3
157.10075	1.4
158.06004	1.8
158.08109	1.4
160.12439	2.0
173.13206	1.6
174.95474	1.7
175.03738	1.5
175.06024	3.2
175.07553	5.4
175.11124	8.0
175.14783	100.0
176.07037	4.8
176.09233	1.2
176.10670	2.8
176.15131	4.4
177.97713	1.5
187.21790	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1478
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03931	0.7
55.01866	0.5
55.05500	6.8
55.46782	0.4
57.07053	0.4
62.60059	0.6
64.48093	0.4
67.05486	1.3
69.03426	0.6
69.07054	18.9
70.07384	0.4
70.47165	0.8
79.05475	2.2
80.20322	0.5
81.07048	5.0
83.08595	4.1
91.05459	10.7
92.05805	0.6
93.07019	3.0
95.08591	5.7
97.02877	0.7
98.20799	0.6
98.98463	3.6
103.05453	0.8
104.06218	1.3
105.07011	21.7
107.04954	0.8
107.08582	4.4
115.05441	2.0
117.06987	4.2
119.04892	0.8
119.08554	76.6
120.08899	1.7
121.10113	2.4
128.06175	1.0
129.06963	1.4
130.06488	0.5
131.08516	3.7
132.05687	2.7
133.10100	62.8
134.10474	1.4
142.07761	0.6
145.06459	0.6
145.10062	4.8
145.10948	0.4
146.10867	0.8
147.08069	3.8
147.11667	8.8
157.10075	0.6
160.05188	2.3
160.12483	2.8
173.13228	2.0
175.07507	10.6
175.11238	2.8
175.14787	100.0
176.15164	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	175.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26711	0.4
53.03942	0.6
55.05502	6.4
57.07059	0.9
61.11699	0.4
61.55232	0.4
67.05482	1.8
68.62735	0.4
69.07054	17.3
70.06562	0.7
71.02264	1.1
71.02621	0.6
79.05477	1.8
81.07040	6.8
83.08607	4.1
85.02877	0.8
87.04482	0.6
91.05467	7.7
92.90038	0.4
93.07015	3.5
95.04933	0.6
95.08591	6.3
97.02888	0.7
98.98457	4.4
105.07012	21.4
107.08566	5.2
115.03909	0.7
115.05361	0.5
116.07008	0.4
117.07001	2.0
119.08559	69.0
120.08829	1.2
121.10110	1.5
129.06946	1.0
131.08586	3.1
133.10103	67.6
134.10432	1.8
135.11642	0.6
145.10085	4.5
147.11658	8.9
157.10062	0.5
160.05130	0.6
160.12463	2.3
173.13211	1.5
175.07491	2.2
175.14789	100.0
176.06976	0.5
176.15154	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1479
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03932	0.9
55.05504	8.6
57.07060	0.9
59.04987	0.8
61.02927	0.5
65.03922	0.7
67.05490	3.1
69.03416	0.6
69.07058	21.0
70.06583	0.7
71.04992	0.5
79.05496	3.3
81.07043	11.9
83.08608	5.3
85.02880	0.8
87.04456	1.0
91.05464	9.3
92.90073	1.5
93.07027	6.2
95.04996	0.5
95.08593	8.6
97.02882	1.3
98.98450	6.9
103.05450	1.0
105.07016	30.9
106.07321	1.0
107.08574	6.5
109.10141	0.6
115.03902	1.3
115.05442	0.5
117.06993	2.6
119.08563	82.2
120.08122	0.7
120.08924	2.0
121.10107	3.1
127.03857	0.5
130.08633	0.5
131.08554	3.7
132.09259	0.6
133.10109	69.1
133.92651	0.6
134.10487	1.9
135.11707	0.5
139.03815	0.8
145.10103	4.4
146.10876	1.6
147.10487	0.8
147.11659	12.3
148.63710	0.5
151.93771	2.8
157.04222	2.8
159.11571	0.5
160.12433	3.3
169.94775	0.5
173.13293	1.3
174.95395	0.8
175.06027	0.7
175.14795	100.0
176.07030	1.4
176.15210	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	175.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.5
55.01858	3.9
55.05499	0.9
57.03423	1.8
60.05631	0.3
61.02908	0.9
67.05492	0.5
69.03422	3.0
69.07057	1.4
70.06582	1.0
70.17712	0.9
71.01337	0.5
72.08139	0.4
73.02904	1.0
73.69389	0.2
74.15852	0.2
79.05500	0.5
81.07034	1.5
82.73689	0.2
85.02884	100.0
86.03198	1.1
86.06045	0.3
87.04454	1.0
91.05457	3.3
93.07027	1.1
95.04945	0.3
95.08588	0.9
97.02863	5.7
97.44978	0.2
98.98444	9.9
105.07004	3.6
107.08559	0.7
115.03900	7.1
116.99445	0.4
117.06989	0.5
119.08546	7.0
125.02329	0.2
127.03888	5.9
129.05443	0.4
129.06987	0.7
131.08505	1.3
133.06450	0.5
133.10097	5.7
138.24702	0.3
139.03871	0.5
142.07727	0.7
145.10075	0.4
147.04387	0.5
147.08022	0.7
147.11662	1.5
151.93813	0.4
157.04117	0.3
157.06531	0.2
157.10132	0.6
160.05142	0.3
160.08815	0.5
175.03801	0.5
175.05939	2.0
175.07523	2.1
175.11086	3.5
175.13107	0.6
175.14760	7.7
176.06984	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63500	0.3
53.03932	0.7
55.01859	3.6
55.05501	1.4
57.03429	1.7
58.06583	0.4
59.04984	0.4
60.05633	0.3
61.02915	1.1
67.05488	0.9
69.03419	3.8
69.07056	2.3
70.06586	1.7
71.01335	0.5
71.05002	0.6
71.52457	0.4
72.08150	0.6
73.02899	1.0
76.35835	0.3
79.05503	0.6
81.06647	0.3
81.07044	1.8
83.04978	0.4
83.08604	0.6
84.08144	0.4
85.02887	100.0
86.03233	0.8
86.06111	0.3
87.04446	1.5
88.02204	0.3
91.05467	3.9
93.07027	1.1
95.08587	1.6
97.02873	6.8
98.03651	0.4
98.98446	12.0
105.07014	6.0
107.04914	0.4
107.08570	1.0
111.04416	0.9
115.03908	8.2
115.05425	0.6
116.07042	0.6
116.99467	0.6
117.07011	1.2
119.04912	1.1
119.08557	12.8
121.06504	0.3
121.10110	0.4
125.02309	0.6
127.03889	6.2
127.07781	0.3
129.05412	0.3
129.06985	0.4
130.06473	0.5
131.08525	1.1
133.06416	0.4
133.10104	13.3
139.03876	0.3
142.07755	0.7
145.10088	1.0
147.04402	0.5
147.08046	1.3
147.11664	1.9
151.93687	0.3
157.04166	0.6
157.10126	0.7
160.05164	1.0
160.08797	0.4
175.03809	0.9
175.05988	2.0
175.07520	3.4
175.11096	3.7
175.13127	0.8
175.14781	13.8
176.06937	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92551	0.4
52.93414	0.4
53.03936	0.6
55.01873	3.5
55.05497	1.6
57.03431	3.1
59.05007	0.7
60.05637	0.6
61.02919	1.3
67.05506	1.3
69.03419	4.5
69.07049	2.4
70.06591	2.7
71.01336	0.7
71.53574	0.8
72.08143	0.9
73.02901	1.4
73.36742	0.4
79.05487	1.0
81.03442	0.4
81.07047	1.5
83.04952	1.0
83.08597	0.6
85.02892	100.0
86.03230	1.2
87.04450	2.0
88.02214	0.9
88.80327	0.4
91.05470	5.4
93.07027	1.5
95.04941	0.7
95.08569	1.9
97.02881	6.9
98.03687	0.4
98.98454	16.5
100.07592	0.6
102.78407	0.5
105.07014	6.8
107.04971	0.5
107.08562	1.3
111.04409	0.7
115.03912	8.7
115.05449	0.8
115.55469	0.4
116.07038	0.7
116.99451	0.8
117.06988	1.3
119.04868	1.2
119.08562	15.2
127.03903	6.9
128.06154	0.5
129.05435	0.4
129.07014	1.3
130.06502	0.4
131.08540	1.9
132.05731	0.5
133.04965	0.7
133.06480	1.5
133.10110	11.5
139.03882	0.9
142.07729	1.0
143.03380	0.5
145.10078	1.0
146.07220	1.0
147.04355	1.3
147.08015	3.0
147.11681	3.3
151.93828	0.6
157.04214	1.1
157.10091	1.6
158.09235	0.4
160.05145	0.6
160.08757	0.6
160.12462	0.4
175.03725	0.8
175.05942	1.9
175.07547	2.9
175.11136	7.0
175.13147	0.9
175.14780	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	172.9561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.5
55.93495	0.5
56.96544	0.9
57.03439	0.3
63.00810	0.3
67.52047	0.3
70.95844	1.0
71.34614	0.8
72.93775	5.1
74.76182	0.3
77.09866	0.4
82.32019	0.3
83.04970	1.0
84.08131	0.4
90.90364	83.1
90.94816	3.7
91.90401	0.8
101.05991	1.1
108.91390	4.8
108.95861	1.0
111.04411	1.4
111.98482	0.5
112.48028	0.8
113.96388	2.1
126.92496	0.6
127.09480	0.5
129.03069	1.3
129.05434	0.6
131.92958	30.5
131.97432	1.8
132.95815	1.2
135.38261	0.3
138.03641	0.4
148.47249	0.8
149.94017	100.0
150.06146	0.4
150.94220	1.1
150.96848	1.4
155.07025	1.4
155.97406	0.7
167.95061	10.3
167.97113	1.7
172.95615	15.0
173.08134	2.9
173.09769	0.5
173.13266	0.5
173.96037	0.3
173.98474	0.8
190.96657	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.9877
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93798	1.2
55.01828	0.4
55.05500	9.6
55.93498	0.7
56.96551	2.9
57.03391	0.8
57.07011	1.4
59.04943	1.6
67.05449	1.7
69.03370	1.5
69.07018	0.9
69.96162	11.8
70.06535	0.7
70.95854	3.4
71.04944	0.5
71.40415	0.7
71.92961	0.6
71.94082	3.3
72.08111	1.4
72.93773	23.5
73.02858	0.6
73.06538	7.3
76.02193	0.7
77.00874	0.7
79.05436	0.8
81.03366	0.6
81.06989	1.1
82.01388	0.4
82.50266	0.3
82.99806	0.5
83.04966	9.7
84.08128	4.3
85.02863	0.8
85.06502	0.8
87.04428	0.9
87.97160	1.0
88.96865	1.0
89.02339	0.6
89.94016	0.4
89.95093	0.9
90.94810	19.3
91.05426	0.6
95.01884	0.4
95.08554	0.9
97.02868	0.6
98.97567	3.0
100.02453	2.8
101.00854	5.3
101.02502	1.4
101.06001	8.1
102.02215	1.2
103.02409	0.6
103.03230	1.6
105.06991	0.5
108.95840	9.9
109.06458	0.5
109.10084	1.0
110.98743	1.7
111.04416	10.8
111.98451	4.0
113.00818	1.0
113.05953	0.8
113.95068	1.3
113.96373	3.4
114.03948	0.8
116.98593	3.8
117.03894	0.8
117.06961	1.0
118.03482	2.2
119.01896	35.9
119.03604	1.4
119.51977	0.4
120.01972	1.4
120.03252	1.0
120.67934	0.4
121.01604	1.4
121.03456	0.5
121.10040	0.4
127.07502	2.1
127.51663	0.4
128.99799	0.5
129.03961	1.0
129.05458	7.0
129.10104	0.5
129.99489	2.3
130.97687	0.5
131.00079	0.5
131.01875	8.4
131.08514	1.6
131.96117	34.5
131.97328	3.0
132.05037	10.1
132.95805	4.2
133.03438	1.2
133.10069	0.5
134.99637	5.1
137.02930	18.1
137.05972	0.7
137.08879	0.6
138.03024	1.1
138.09769	1.5
138.51511	1.5
138.59549	0.5
139.02602	0.8
142.03476	5.4
143.01849	1.0
143.03635	0.5
144.03281	0.5
145.03442	5.3
145.05171	0.5
145.10139	0.7
146.60092	0.5
147.03836	0.8
147.04968	1.1
147.10301	1.2
147.52045	0.7
147.60098	0.8
148.01341	0.5
148.05080	0.7
148.98790	0.5
149.01202	1.4
149.02936	2.6
149.04707	0.5
149.06575	1.1
149.09431	0.6
149.10440	1.2
149.60573	9.4
149.96106	7.7
149.97166	100.0
150.05006	0.7
150.06081	8.6
150.10361	5.1
150.51607	0.5
150.60597	0.7
150.96828	12.6
151.04491	0.7
153.00725	1.2
154.97704	12.5
155.01877	1.8
155.06993	10.0
155.97357	3.0
156.05034	1.2
158.04242	1.0
158.10909	1.1
158.61078	4.6
159.05022	3.7
159.10898	2.2
160.04535	2.0
161.02945	4.7
161.04330	0.6
161.11378	1.5
161.61189	0.8
163.04500	1.7
167.97105	11.8
167.98264	12.0
168.04985	0.4
172.04507	0.6
172.98787	27.1
173.02916	5.3
173.06561	8.0
173.08159	18.1
173.09657	0.7
173.13197	1.9
173.98436	5.6
174.06091	11.8
174.07516	0.6
175.06190	0.4
177.06093	3.2
178.47977	0.5
190.98491	0.6
190.99976	0.7
191.02316	0.6
191.03957	2.2
191.07616	14.4
191.09306	0.9
192.07080	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	174.1486
Annotation	(+)-Muscarine
Peak:m/z	Relative Intensity
54.74315	0.3
58.06591	33.5
58.52335	0.3
59.07373	24.0
60.08155	10.0
69.07063	1.6
70.67713	0.9
73.02905	1.7
73.06527	0.9
80.35677	0.3
97.06529	0.6
162.91995	0.3
174.14871	100.0
175.15266	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	174.1486
Annotation	9-Aminononanoic acid
Peak:m/z	Relative Intensity
54.73552	0.2
55.01846	0.3
55.05487	0.6
56.05010	0.3
57.03410	0.4
58.06588	27.3
59.07369	18.5
60.05639	2.6
60.08149	9.4
61.41205	0.3
67.05490	0.3
68.04993	0.7
69.07055	1.5
69.60439	1.9
70.06578	14.5
71.04990	0.5
72.08121	1.2
73.02885	1.0
73.06530	0.9
73.28751	0.3
82.06570	1.7
82.14561	0.2
83.85706	0.3
84.04473	0.4
84.08121	5.2
86.06042	1.0
86.67506	0.3
87.04445	0.7
90.05528	0.5
92.45210	0.3
97.02901	0.3
97.06465	0.3
100.07584	0.5
101.00903	0.6
102.05511	2.9
103.02413	0.7
110.06030	0.3
110.09664	0.7
112.07590	3.9
112.08672	0.4
114.05503	1.4
116.07073	3.1
119.01902	4.0
120.01948	0.3
121.03406	0.3
128.07051	5.3
128.10672	2.5
129.10182	0.6
130.08592	1.7
130.09703	1.3
132.06639	0.3
133.03415	1.4
137.02925	1.2
142.03465	0.7
150.96892	0.3
151.04478	0.7
156.10132	1.0
158.09210	0.5
160.04553	0.5
174.07628	1.8
174.11258	8.4
174.14857	100.0
175.04498	2.6
175.10680	0.3
175.11931	2.7
175.15343	2.8
179.03984	0.4
194.30566	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.9
55.05500	13.7
55.93515	1.3
56.05018	3.2
56.05835	1.0
57.03412	1.1
57.07050	2.8
58.06587	1.2
59.04970	1.5
60.04503	1.3
65.03931	1.5
67.05495	8.4
68.05019	1.2
69.03408	1.0
69.07056	100.0
70.02933	5.1
70.06576	2.5
70.07387	1.3
71.52880	1.6
71.53610	0.9
72.04512	2.0
72.08144	9.6
72.93778	13.5
73.08475	1.1
74.06067	1.3
79.05476	1.1
81.07021	4.8
82.06551	1.3
83.04974	11.0
83.08607	2.0
83.99411	0.9
84.04494	4.8
84.08127	25.8
85.02901	2.0
85.04831	2.3
85.06529	2.8
85.08425	1.0
86.02412	1.2
86.09692	93.2
87.00820	11.6
87.04411	1.1
88.11256	5.1
89.07153	1.3
89.11561	3.0
89.94012	1.6
90.94805	10.0
91.05463	2.9
93.07036	2.3
95.04939	1.5
95.08582	2.4
98.02386	5.3
98.06030	2.4
98.09668	5.9
99.04436	1.4
100.07594	10.1
101.05997	7.5
101.07939	1.0
103.03302	1.2
104.03446	83.9
105.01855	1.7
105.07011	2.0
105.08656	2.0
108.95855	4.9
109.06487	2.0
109.10123	4.0
110.06036	1.3
111.04420	13.5
111.08038	1.7
112.03954	18.0
112.04741	1.7
112.07587	26.6
112.08352	2.0
112.11230	1.7
113.05984	1.0
113.59950	1.2
113.96392	2.5
115.05373	1.5
116.03434	26.8
117.06978	2.9
119.08552	3.8
123.88729	1.0
124.07560	0.9
126.03702	1.3
126.05460	2.3
126.09139	12.0
126.10014	1.5
127.03867	1.1
127.07564	2.1
128.07108	1.1
128.10669	1.5
129.05467	4.7
129.06964	2.9
130.08623	6.7
131.08554	19.4
131.97409	1.8
137.05960	1.7
143.08525	5.8
144.10240	2.1
145.06467	2.3
145.07611	2.3
145.10101	7.4
148.97559	1.9
149.96121	4.6
149.97113	1.0
154.08594	17.7
155.07036	8.8
158.10909	9.2
167.97142	9.6
172.06094	1.9
172.07471	2.8
172.09677	53.6
172.11018	2.6
172.13339	2.9
172.15358	2.0
172.16930	1.7
173.08197	14.2
173.10756	33.6
173.13194	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	174.1487
Annotation	9-Aminononanoic acid
Peak:m/z	Relative Intensity
53.03955	0.6
55.01854	2.3
55.05502	11.7
55.93545	0.5
56.05059	1.8
56.05861	1.0
57.03463	1.7
57.07066	2.4
58.06622	1.2
59.05017	1.0
59.07404	0.4
60.04549	0.9
61.02919	0.7
65.03960	0.9
67.05499	3.6
68.05072	1.0
69.03452	2.0
69.07057	27.6
70.06622	1.8
70.42264	1.1
70.42653	0.9
70.95848	2.9
71.05011	1.3
72.04523	0.6
72.08185	1.4
72.93763	3.1
72.94451	0.4
73.06580	1.3
74.02442	0.5
79.05487	5.9
80.10522	0.5
81.07043	8.9
82.06570	4.4
83.04971	4.5
83.08643	1.3
84.04504	0.9
84.05334	0.9
84.08125	2.5
85.02932	1.6
85.06580	0.5
86.02477	0.4
86.06049	4.7
86.09711	2.2
87.04475	0.8
88.03999	0.8
88.96891	0.6
90.94865	1.3
91.05469	7.0
93.07031	11.6
95.04986	0.6
95.08590	8.6
96.04519	0.8
96.08910	0.5
97.02873	2.3
97.06533	5.1
97.10153	9.8
98.03663	0.5
98.06078	0.6
98.98454	9.0
98.99048	0.8
100.07588	2.7
101.06023	1.4
102.06374	0.7
105.07011	3.8
107.04964	0.6
107.08579	0.6
110.06069	0.9
111.04432	1.4
111.11732	1.5
111.56815	0.4
111.98459	2.6
112.04771	1.0
113.96423	1.0
114.05533	1.5
114.12822	1.2
115.03937	1.3
115.05462	1.5
117.06997	0.7
118.06508	2.6
119.04910	2.3
119.08565	8.0
120.08947	0.5
121.10115	8.7
121.10909	0.6
127.03885	0.8
128.03409	0.7
128.05070	0.6
128.07066	8.5
128.07964	0.7
128.10718	1.2
129.05470	0.7
129.07005	1.1
129.99506	2.2
130.06548	1.2
131.08560	1.5
131.97482	0.6
132.01164	0.7
132.04454	1.4
132.05666	0.6
132.06540	2.1
132.08041	1.2
132.08932	2.4
132.95808	4.8
133.05017	0.5
133.10092	5.7
138.12776	2.3
139.03922	0.6
139.11154	5.1
142.07774	0.7
143.04900	1.1
144.08887	0.8
145.06436	0.8
145.10078	0.5
146.05988	5.9
146.06970	0.6
146.08028	2.4
146.10448	1.4
147.04402	1.7
147.08032	1.8
147.11655	2.3
150.96869	9.0
155.97430	3.5
156.06479	1.3
156.13815	100.0
157.07596	0.8
157.10042	1.0
157.14145	4.1
158.05994	1.1
159.07927	0.5
159.11241	1.5
160.05214	2.2
160.08824	1.3
173.98468	4.6
174.03970	0.9
174.05435	5.7
174.07513	2.4
174.08910	1.0
174.11043	9.7
174.12656	3.0
174.13522	4.1
174.14868	41.6
175.03873	1.8
175.06082	0.7
175.07442	7.0
175.08621	0.8
175.11119	5.2
175.14822	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	171.0166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72036	19.4
57.03432	49.0
65.63380	23.1
71.04975	25.9
71.43188	33.8
75.02026	27.9
81.03407	56.6
86.03671	28.9
86.52689	20.4
91.48449	21.8
93.53442	38.6
94.03479	27.5
99.53448	58.2
100.02484	66.7
100.05267	26.2
109.02845	25.7
112.19305	20.2
112.89607	55.1
113.53195	88.6
119.01897	29.1
120.53958	53.1
122.53653	48.0
129.54474	100.0
130.04497	39.6
131.01926	43.3
138.54999	69.1
139.05112	32.5
141.02715	65.9
142.03586	29.5
147.55594	40.8
171.01683	32.4
171.07634	93.8
184.37965	21.9
184.52469	22.4
185.02992	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	171.0649
Annotation	3,4-Dihydroxyphenylethyleneglycol
Peak:m/z	Relative Intensity
51.02366	0.4
53.00288	0.5
53.03921	0.5
55.01856	2.9
55.05501	3.2
56.96551	0.6
57.03412	0.4
65.03928	18.2
65.04276	0.9
67.05485	1.5
68.02638	0.4
68.99779	6.1
69.03414	1.4
69.07056	1.1
70.06570	0.6
70.94231	0.5
70.99940	0.7
71.04956	0.4
72.04509	1.9
72.08140	2.6
79.01828	0.4
81.03395	2.5
83.01285	0.7
83.04961	7.9
83.08600	0.7
84.08117	1.2
86.09685	1.3
88.95290	0.6
89.07127	1.9
91.52069	0.5
93.03384	6.2
93.07056	0.4
95.04953	0.7
96.02103	0.8
97.02871	1.6
100.07624	1.8
107.08577	0.3
108.83646	0.3
109.02867	0.7
111.04419	73.0
112.04757	1.4
112.07559	0.4
112.19268	0.4
119.16682	0.3
121.02882	1.2
121.03967	5.5
126.83668	0.3
127.03988	0.5
130.08617	0.7
132.74342	0.3
136.16037	0.4
138.54080	0.6
139.00247	1.3
139.03873	100.0
139.54193	0.3
140.04204	2.1
144.27885	0.4
147.54614	1.2
147.96620	0.3
150.86205	0.3
157.01292	1.2
170.08574	0.3
171.02818	0.4
171.04240	0.4
171.06503	9.2
171.07742	0.4
171.09842	0.4
171.11252	0.5
171.14900	3.0
172.09656	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1125
Annotation	BDNA
Peak:m/z	Relative Intensity
53.03942	0.4
55.01858	7.4
55.05500	5.5
56.05032	0.9
56.96552	2.4
57.03431	1.2
57.07065	0.4
58.06595	1.4
58.99573	1.5
59.04985	0.4
63.05825	0.2
65.03927	2.0
67.05493	3.5
68.05009	0.5
68.96326	0.3
68.99776	1.1
69.03421	1.2
69.07047	2.2
70.06573	4.4
70.07394	0.3
70.94239	0.8
71.01335	0.2
71.04968	0.8
71.06908	0.5
71.47062	0.3
72.04502	5.2
72.04878	0.5
72.08141	18.4
73.02924	0.6
73.06519	0.2
79.05475	2.5
81.03403	1.5
81.07039	1.6
82.06580	1.5
83.01324	0.4
83.04966	2.5
83.08607	2.4
84.04497	1.3
84.08127	14.1
85.02895	0.8
85.06532	0.3
85.08469	0.8
86.03619	0.5
86.06048	0.6
86.09664	1.9
87.01935	0.4
87.04444	0.5
88.95290	0.8
89.07137	4.4
91.05477	0.4
93.03395	0.5
93.07024	0.9
95.04962	1.0
95.08588	0.5
96.04462	0.3
96.06859	0.4
96.08102	0.4
97.02884	0.7
97.06506	1.1
97.10155	0.6
98.06050	0.5
98.09673	1.3
98.97575	0.7
99.02654	0.5
99.04398	0.5
99.53484	0.3
99.58416	0.3
100.02469	0.8
100.07595	10.0
100.11244	0.6
101.00750	0.3
101.02447	0.2
101.04217	2.6
101.07921	0.3
102.05513	0.2
104.52757	0.3
105.07002	0.3
105.08593	0.4
106.96321	0.4
107.04917	1.4
107.06856	0.2
107.08578	1.3
107.44486	0.2
107.95057	0.2
108.08105	0.5
109.02868	1.0
109.06490	0.9
109.10154	0.7
109.98958	0.3
110.01305	0.4
110.06016	0.6
110.07151	0.8
110.09670	0.3
111.00781	1.0
111.04424	9.0
111.08065	0.8
111.09203	0.3
112.07583	100.0
113.05968	0.4
113.07894	1.5
113.59907	0.3
114.05531	0.3
114.09147	0.4
115.03860	0.3
116.07101	0.4
116.98583	0.7
118.03539	0.3
118.51393	0.6
118.54375	0.3
119.01807	0.8
120.53960	0.2
121.02892	0.2
121.03938	0.5
122.53684	0.3
124.07565	0.7
125.02336	0.6
125.06005	1.4
125.07083	0.8
125.07928	0.6
125.09614	0.6
126.01051	1.9
126.05478	0.7
126.09110	2.1
127.02242	0.3
127.03922	1.3
128.02333	0.4
128.06195	0.3
128.13005	0.3
129.04094	1.9
129.10257	0.5
129.54457	0.4
130.08632	1.8
130.96298	0.5
134.99641	0.5
135.04388	0.6
135.06345	0.6
135.08055	0.4
136.07545	1.2
138.54121	0.9
139.00241	5.7
139.01350	0.3
139.03874	10.6
140.10692	0.3
141.02699	0.3
142.08636	0.3
143.03366	0.4
143.08937	0.3
143.11755	0.5
144.10219	0.6
147.54639	1.0
147.96573	0.3
148.02028	0.3
148.97426	1.0
153.01839	1.3
153.05399	0.6
153.07471	1.3
153.09106	0.5
153.10271	0.4
154.04961	0.3
154.08623	1.6
154.12244	0.8
155.11734	0.4
156.07800	0.3
156.09290	0.5
157.01292	6.0
158.01509	0.3
161.64532	0.3
165.97644	0.6
167.02046	0.2
171.02861	2.4
171.04337	0.6
171.06409	1.1
171.07611	0.8
171.08665	1.1
171.11255	19.2
171.14897	8.1
171.98970	0.6
172.04240	0.6
172.06067	0.3
172.08495	0.3
172.09714	2.5
172.11266	0.5
172.11784	0.4
172.13258	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0419
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34623	20.1
70.44011	56.6
70.44418	39.3
83.82055	19.4
95.06068	67.9
98.20661	22.6
102.27456	19.3
104.00064	18.2
109.29774	19.0
131.00694	19.7
148.23796	22.9
150.05421	24.2
159.78757	23.4
168.06363	100.0
168.07585	22.7
181.84415	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	168.0418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24629	10.3
53.61896	10.3
66.94193	11.7
69.53687	100.0
69.54017	21.4
71.19175	11.8
81.18839	11.6
81.96187	11.4
90.27578	12.3
96.56121	11.5
98.20682	15.6
156.87283	11.1
168.06331	56.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28882	3.5
55.20580	3.5
70.12948	16.1
88.72867	3.5
94.06531	10.8
122.06001	10.6
135.95932	3.7
143.95955	3.7
150.05490	100.0
151.05835	4.6
168.06496	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	169.0969
Annotation	Cyclo(deltaAla-L-Val)
Peak:m/z	Relative Intensity
53.03928	0.6
55.01862	1.0
55.05504	10.7
56.05034	2.3
56.96547	0.6
57.07058	0.6
58.06593	6.8
65.03929	2.0
67.05502	2.4
68.05012	1.2
68.99773	1.2
69.03419	13.9
69.07047	1.3
70.03736	0.4
70.06582	7.4
70.76270	1.2
71.04953	0.5
72.08142	3.1
72.91631	0.4
73.06544	18.6
78.57897	0.7
79.05471	2.0
80.04990	1.1
81.03405	3.2
81.05791	0.6
81.07037	2.8
82.06568	6.5
83.04955	2.4
83.06080	0.7
84.04470	0.5
84.08143	3.2
85.02891	0.9
85.06562	0.5
85.94601	0.5
86.06046	1.4
86.09674	1.2
91.05452	0.8
93.03413	0.9
93.06997	0.6
94.06539	1.6
94.96020	0.4
95.01307	0.6
95.04955	1.8
95.06068	2.6
95.08582	1.8
96.08115	12.3
97.01083	0.5
97.02876	2.0
98.06049	2.6
98.09657	0.6
99.02660	1.0
99.04401	0.6
99.58412	1.3
100.07591	3.5
101.06001	6.6
102.03353	0.5
103.38573	0.4
105.07003	1.5
106.06534	1.0
107.08562	1.3
108.06846	3.9
109.02848	6.7
109.05256	0.7
109.06493	1.1
109.10140	1.2
110.06024	38.5
110.07137	8.6
111.00790	3.1
111.04435	2.7
111.06342	0.7
112.11211	0.8
113.05985	0.5
113.10725	1.6
120.08086	0.9
121.08446	0.5
123.04427	2.3
123.06292	0.5
123.08223	0.7
123.09171	22.3
123.11639	1.0
124.02162	0.9
124.07576	10.6
124.11214	0.5
125.05978	1.2
126.03115	4.4
127.03870	1.3
128.95062	1.2
133.02809	0.9
133.10121	0.5
134.05994	2.7
138.42146	0.4
141.05444	14.0
141.06548	0.8
141.10201	23.6
142.03197	0.7
146.96111	0.9
151.03879	1.2
151.05804	1.3
151.07529	1.1
151.08659	1.2
151.11130	0.6
152.01633	0.6
152.07051	6.3
152.10695	1.3
154.02574	1.1
155.03340	1.4
156.07651	0.5
163.97734	0.7
169.04970	7.8
169.09700	100.0
170.02708	1.9
170.05676	1.7
170.08084	1.9
170.10068	2.5
170.11555	0.6
171.14896	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1064
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
51.02367	0.6
51.42318	0.4
53.03932	2.0
55.01865	1.6
55.05497	4.8
57.03424	2.3
57.07059	1.5
59.04967	0.8
65.03926	1.2
66.04709	0.4
67.05488	4.2
67.54874	0.4
69.03414	3.4
69.07056	4.7
69.33187	0.4
71.04981	2.1
71.25121	0.9
75.04465	4.7
77.03910	1.0
78.04694	5.5
79.05477	18.7
81.03408	0.8
81.07041	17.8
83.04960	3.3
83.08604	1.5
85.06533	0.9
87.04462	0.6
91.04885	0.7
91.05463	15.7
93.07025	87.8
94.06535	0.4
94.07367	1.5
95.04952	4.4
95.08592	8.6
96.05725	0.5
97.02872	3.1
97.06513	4.5
97.10146	0.6
103.05451	2.0
105.03383	0.6
105.04487	0.5
105.07009	19.1
106.04162	1.8
106.07829	0.7
107.04937	3.0
107.08570	16.7
109.02837	1.1
109.06495	26.7
109.10111	1.1
111.04432	2.9
111.08065	16.3
116.06253	0.5
119.06076	0.5
119.08551	4.0
121.02819	0.5
121.06495	4.7
121.10119	100.0
122.03632	0.9
122.05984	0.5
122.10454	2.4
123.04404	9.8
123.08035	6.2
123.11680	11.8
124.05175	3.9
125.05972	2.5
125.09608	6.0
129.06950	0.7
131.08536	11.2
133.07581	1.6
134.03625	0.8
135.04424	0.5
137.06007	0.7
139.07570	1.0
139.11150	16.6
140.07042	0.5
149.02286	1.1
149.05977	0.6
149.09589	30.8
149.13138	0.9
150.05464	1.8
150.09973	0.9
151.03867	1.8
152.04674	2.2
167.07010	52.9
167.10643	27.7
167.14246	3.9
168.07442	1.2
168.11069	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03464	0.7
55.05506	16.2
56.05026	3.0
57.04524	0.5
57.07069	2.7
58.06573	0.9
59.06129	2.1
67.02983	0.3
67.05494	0.8
68.05029	2.2
69.07060	26.0
70.06592	2.6
70.99899	1.0
71.06098	0.5
71.08604	2.1
72.08147	0.4
79.05476	0.8
80.05009	0.7
80.50223	0.3
81.04527	2.0
81.07041	0.8
82.06577	2.4
83.06099	2.3
83.08611	7.8
84.04493	1.0
84.05618	4.0
84.08138	1.7
85.02866	0.3
85.04018	1.4
85.07667	2.1
85.10161	0.6
87.09184	0.4
93.07024	1.1
94.06561	0.7
94.57318	0.3
95.06075	0.5
95.08569	0.8
96.04520	0.5
97.06492	0.5
97.07646	2.2
97.10160	9.2
98.06042	1.6
98.07159	1.5
99.05589	0.4
107.04973	0.5
107.08592	0.8
108.05631	0.9
108.08105	0.4
109.06496	0.9
109.07636	3.8
110.07157	1.5
110.08418	1.1
111.04441	0.6
111.05522	0.4
111.07986	0.6
111.09216	1.8
111.11716	4.4
112.08708	1.5
121.06470	0.5
121.10131	1.1
122.06088	0.7
122.07130	1.5
123.08094	0.5
123.09155	0.7
124.05135	0.4
124.08717	3.0
125.08224	100.0
126.06618	2.4
126.07735	0.7
126.08597	2.0
126.10278	1.4
127.07401	0.8
137.08144	0.4
138.10225	0.7
139.07489	0.5
139.08690	0.5
139.09782	0.5
140.08188	0.5
149.02316	0.6
149.08231	0.7
149.09564	0.4
150.05479	1.3
150.06613	0.8
150.09109	0.6
150.10236	3.1
157.52081	0.3
157.70157	0.3
167.07011	1.1
167.08131	0.6
167.09296	5.9
167.10616	0.6
167.11737	0.7
167.12912	4.9
168.06558	1.1
168.10156	0.7
168.11375	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66246	0.4
55.05827	0.5
56.96544	1.4
57.45129	0.6
59.15938	0.5
65.03901	0.6
67.05483	0.6
67.92514	0.6
67.93529	1.4
69.03408	1.0
71.54298	0.8
81.03365	0.6
82.01423	1.3
82.94809	1.2
84.99593	1.0
85.94584	0.6
85.97266	2.3
85.99905	0.6
95.48829	0.5
100.02460	4.6
101.02520	0.5
102.02206	1.9
103.00613	16.7
103.01237	1.0
103.98301	15.7
104.00932	7.8
104.01556	0.9
108.04509	0.6
109.02839	1.4
111.04411	1.0
114.61699	0.5
115.01093	0.7
115.02473	0.9
115.05384	0.5
115.97498	0.5
117.02141	0.7
118.03507	3.0
119.01896	1.9
120.01983	1.9
120.03249	1.3
121.01641	100.0
121.02274	4.7
121.99345	60.0
122.01939	40.6
122.03764	0.6
122.05950	0.7
122.99390	2.5
123.02077	2.3
123.97421	1.0
126.02188	2.4
126.03025	0.8
126.93798	0.6
126.95554	0.8
126.99879	2.0
127.02479	4.0
132.52768	0.6
135.03159	1.0
135.51578	0.6
137.51947	2.4
138.02003	1.0
138.03049	1.3
139.02666	38.6
140.00378	42.4
140.02989	18.5
140.07005	0.7
141.00409	1.0
141.03012	1.5
141.05414	2.1
141.50319	0.6
143.03531	0.7
144.03204	41.3
144.52089	1.2
145.00926	74.8
145.03549	69.7
146.01013	3.1
146.03706	1.9
146.52486	14.2
147.01520	0.6
147.02544	3.1
149.02750	6.0
149.52863	1.9
150.03578	4.6
150.05472	1.1
151.52858	0.7
158.03287	8.1
158.53395	1.9
159.04068	6.2
162.04265	18.4
162.95876	1.3
163.01959	77.8
163.04626	28.0
163.97656	0.7
164.02039	3.1
167.04829	1.9
168.02567	3.8
168.05148	3.5
168.06528	1.3
169.04912	1.8
186.03502	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	166.086
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
58.19604	0.2
59.45777	0.2
65.99254	0.2
70.78500	0.2
70.94256	0.2
71.17555	0.3
79.05472	1.0
89.67850	0.2
91.05459	0.4
93.07018	2.0
95.04980	0.2
103.05446	9.4
104.05774	0.3
107.04937	1.8
120.08080	100.0
121.08430	3.2
131.04895	2.2
139.73575	0.2
149.05943	0.8
151.24942	0.2
166.08591	2.2
168.25055	0.2
175.63100	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0861
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
51.02393	0.1
53.03950	0.1
58.35954	0.1
67.05505	0.2
69.07076	0.1
71.09586	0.2
77.03930	0.2
78.04717	0.2
79.05481	1.1
80.05025	0.1
81.07059	0.2
85.86981	0.1
91.05457	0.7
92.05805	0.3
93.07027	2.4
94.07349	0.2
95.04982	0.3
95.08610	0.1
99.38685	0.1
101.56428	0.1
103.05449	7.5
104.05793	0.2
105.06989	0.2
106.04147	0.1
106.06585	0.1
106.07369	0.1
107.04939	2.1
107.08574	0.2
111.08066	0.2
118.06544	0.1
118.07355	0.1
119.07365	0.1
120.08083	100.0
121.06499	0.2
121.08424	2.8
121.10120	0.6
123.04427	0.3
124.05221	0.1
131.04904	2.7
139.07442	0.1
142.96657	0.3
143.03632	0.1
148.04752	0.7
148.07468	0.1
149.05980	1.0
151.03839	0.1
166.04921	0.3
166.08582	3.2
167.07008	1.8
167.10558	0.1
169.93092	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1271
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
51.02368	0.9
53.03934	1.2
53.54452	0.4
55.01868	2.9
55.05500	4.2
57.03429	3.2
57.07070	0.7
61.02921	0.5
65.03931	1.4
67.05492	14.6
69.03416	5.4
69.07063	3.2
70.22200	0.6
70.22552	1.9
71.04985	1.4
72.08130	0.5
73.02902	1.3
77.03894	0.5
79.05478	18.5
80.06258	0.4
81.03423	1.2
81.07041	30.2
83.04969	4.5
83.64861	0.4
83.93027	0.5
85.02887	1.9
85.06533	1.4
91.05463	49.5
92.05792	1.2
93.07026	32.2
95.04948	6.4
95.08585	12.8
97.06522	2.8
98.21296	1.0
99.04487	0.4
103.05447	1.8
104.06221	1.5
105.03378	0.8
105.04514	0.6
105.07011	26.0
106.07317	0.5
107.04947	0.9
107.08572	9.6
109.06510	4.9
109.10136	3.5
111.04434	1.0
111.08069	0.6
117.06998	8.1
119.01909	3.1
119.04917	15.9
119.08557	100.0
120.08073	2.5
120.08895	2.4
121.06488	1.2
121.10120	24.7
122.07245	0.7
122.10487	0.9
123.04430	3.4
123.08025	3.7
123.11703	3.7
129.06955	1.9
129.54373	0.4
132.05688	0.6
133.02844	0.9
134.95793	0.4
137.02943	1.1
137.05925	1.5
137.09598	5.0
137.13191	0.8
138.10068	0.4
142.03485	3.2
142.96642	1.9
147.04385	34.4
147.08018	24.0
147.11658	35.1
148.04736	1.2
148.08366	0.9
148.12010	0.9
160.04539	1.0
165.05424	1.5
165.06856	0.6
165.09082	13.5
165.12723	30.5
165.98206	0.5
166.08586	0.6
166.13106	1.0
178.76312	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1271
Annotation	Norecasantalal
Peak:m/z	Relative Intensity
51.16019	0.4
53.03934	1.7
55.01860	2.8
55.05499	5.2
56.85578	0.4
57.03420	3.5
57.07053	0.6
65.03920	1.4
67.05491	18.6
68.42857	0.4
69.03419	4.0
69.07052	3.7
71.04971	1.2
71.11032	0.7
72.08128	0.4
73.02895	1.2
77.03895	0.7
79.05474	21.7
80.05798	0.5
81.03398	1.0
81.07039	39.3
82.07391	0.9
82.94366	0.4
83.04966	4.6
85.02878	1.5
85.06519	2.1
91.05459	49.3
92.05772	1.0
93.07025	35.8
95.04942	6.7
95.08584	15.2
97.06500	4.1
98.21381	0.7
103.05450	1.8
104.06235	1.2
105.07008	35.7
106.07303	0.7
107.04919	1.2
107.08570	12.8
109.06499	5.9
109.10127	4.6
111.04475	0.7
115.05415	0.6
117.07004	6.7
119.01920	2.2
119.04925	9.9
119.08555	100.0
120.08077	1.1
120.08896	2.4
121.06446	0.8
121.10116	34.1
122.10446	1.0
123.04433	2.5
123.08058	5.5
123.11684	4.5
129.06973	1.3
132.05695	0.5
133.02824	0.7
137.02963	0.9
137.05919	1.5
137.09550	4.9
137.13226	1.5
142.03481	1.7
142.96672	1.1
145.10086	1.0
147.04379	24.0
147.08022	24.0
147.11653	56.3
148.04697	0.5
148.12024	1.4
160.04482	0.7
165.05409	1.3
165.06815	0.6
165.09085	11.9
165.12720	47.4
166.04964	0.7
166.13010	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	165.1273
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
53.03939	1.7
55.01861	2.6
55.05497	5.6
57.03418	4.1
57.07060	1.7
59.04998	1.0
61.02911	2.1
65.03926	2.2
67.05493	11.1
68.04999	0.6
69.03417	17.0
69.07053	3.5
70.06559	0.8
71.04974	1.7
72.08144	2.9
73.02908	1.4
74.93910	0.5
79.05474	9.0
80.05022	0.5
80.06251	0.6
81.03400	3.2
81.07041	14.5
83.04968	6.5
83.08599	1.9
83.93030	0.8
84.08121	1.0
85.02883	5.7
85.06521	0.7
87.04450	0.8
91.05462	32.9
92.05814	1.3
93.07024	14.8
94.04161	0.5
94.06531	0.6
95.04952	14.6
95.08589	14.1
95.09052	0.3
96.04495	0.5
97.06513	1.1
98.20769	1.2
99.04430	1.8
100.07601	1.1
100.98209	0.6
101.00852	1.0
102.02177	0.5
103.03935	1.2
103.05447	2.3
105.03367	0.9
105.07009	13.4
107.04922	2.0
107.08574	10.1
109.02834	1.0
109.06496	14.8
109.10127	9.3
110.09692	0.6
110.10437	0.9
111.04434	3.0
111.20901	0.5
112.11161	0.7
116.18198	0.5
117.07024	2.4
119.01907	8.6
119.04921	40.6
119.08559	38.7
119.95052	0.6
120.02019	0.7
120.04475	0.8
120.05267	1.8
120.08083	12.4
120.08881	1.1
121.06486	2.1
121.10117	14.7
122.07254	4.6
122.10448	0.8
123.04404	14.8
123.08041	9.2
123.11665	4.5
124.02465	0.5
124.04746	0.7
124.07542	0.7
129.05441	1.8
129.06995	1.1
133.02827	4.6
133.05577	0.5
133.06477	1.8
135.08025	1.2
137.02971	4.8
137.05962	6.6
137.09586	72.5
137.13229	1.5
138.05463	1.9
138.09015	0.6
138.09926	2.0
142.03477	8.1
142.96652	3.3
147.04382	100.0
147.08029	9.9
147.10594	0.9
147.11658	8.8
148.02141	1.5
148.04739	6.0
148.07481	1.3
150.10344	2.0
160.04536	4.3
165.01767	2.0
165.04338	0.7
165.05484	6.9
165.06712	1.2
165.07628	0.5
165.09070	12.3
165.12718	37.6
165.98296	0.8
166.04935	2.8
166.06174	0.5
166.08517	4.1
166.13100	1.5
167.05557	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.6
53.03940	1.8
55.01863	2.9
55.05500	5.2
57.03430	4.7
57.07069	1.0
65.03928	0.9
67.05493	23.1
68.05822	0.7
69.03416	6.0
69.07051	4.3
69.83113	0.4
70.58849	1.0
70.59218	0.9
71.04961	2.1
72.08150	0.7
73.02908	1.3
77.03920	0.9
79.05479	23.7
80.05811	0.9
81.03396	0.9
81.07042	52.0
82.07382	1.3
83.04961	6.4
83.08607	0.9
84.08126	0.4
85.02895	1.7
85.06537	3.3
91.05466	50.6
92.05817	1.5
93.03347	0.5
93.07028	41.7
94.07378	1.0
95.04948	9.8
95.08592	17.8
97.06509	5.9
99.04453	0.5
99.08055	1.1
101.00832	0.6
103.05458	2.1
104.06257	0.6
105.03382	0.9
105.07012	44.9
106.07332	0.8
107.04913	0.7
107.08577	15.0
108.08849	0.6
109.06501	8.0
109.10129	4.9
111.04382	0.7
111.08070	0.9
115.05453	0.7
117.06994	7.3
119.01886	2.5
119.04925	10.7
119.08561	100.0
120.04462	0.4
120.05299	0.7
120.08068	3.6
120.08900	4.0
121.06475	1.2
121.10121	43.2
122.10480	1.0
123.04410	2.9
123.08044	5.4
123.11669	5.7
129.05504	0.6
129.06996	2.1
132.05640	0.6
133.02855	0.8
134.45976	0.5
137.02988	0.9
137.05957	1.2
137.09586	6.1
137.13196	1.6
142.03473	2.7
142.96669	1.8
145.10077	1.5
147.04387	25.0
147.08022	20.1
147.11661	69.5
148.04713	1.6
148.08392	1.3
148.11981	2.9
160.04523	1.2
165.01875	0.6
165.05392	1.4
165.09093	10.7
165.12723	60.4
166.04921	1.2
166.08398	0.6
166.09610	0.8
166.13062	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	165.0908
Annotation	2-Phenylbutyric acid
Peak:m/z	Relative Intensity
51.02349	0.3
53.03946	1.7
55.01866	3.1
55.05497	4.4
57.03423	2.2
59.04991	0.3
61.02908	0.7
65.03918	1.9
67.05490	6.2
69.03420	5.0
69.07052	1.0
70.80334	0.4
70.80665	0.9
71.04984	1.3
72.08136	1.0
73.02911	2.5
74.22810	0.4
77.03899	0.5
79.05478	13.1
80.05811	0.5
80.06255	0.4
81.03409	1.4
81.07039	7.5
82.13974	0.5
83.04966	2.3
83.08625	0.4
84.08099	0.4
85.02886	2.5
91.05463	48.5
92.05800	1.2
93.03365	0.4
93.07024	29.4
94.04165	0.4
94.07358	0.4
95.01327	0.5
95.04950	6.9
95.08591	11.5
97.06506	0.4
97.96272	0.3
100.07619	0.4
101.00879	0.6
101.28288	0.4
103.03934	0.5
103.05453	3.3
104.06237	1.5
105.03370	1.3
105.04494	0.9
105.07008	13.8
105.08575	0.5
107.04942	1.4
107.08577	3.4
109.06478	2.6
109.10132	3.1
111.04428	1.5
115.05424	0.8
117.06993	9.1
119.01900	3.5
119.04924	18.9
119.08556	100.0
120.05279	0.5
120.08076	4.6
120.08904	3.6
121.06458	0.9
121.10121	3.4
122.03603	0.4
123.04408	5.8
123.08034	2.6
123.11694	0.9
128.06235	1.0
129.05493	0.6
129.06972	3.2
131.04947	0.6
132.05675	0.5
133.02827	2.7
133.05554	0.7
133.06451	4.8
137.02940	0.8
137.05957	8.9
137.07027	0.5
137.09566	5.9
138.05452	0.4
142.03476	2.9
142.96648	0.9
147.04382	45.7
147.08015	31.0
147.11653	2.1
148.04753	1.9
148.08344	1.0
149.32567	0.4
158.59695	0.4
160.04497	1.1
160.59698	0.3
165.01768	0.5
165.05453	3.0
165.06812	0.8
165.09081	16.7
165.12700	3.6
165.13925	0.4
166.04930	0.7
166.08524	0.6
175.68510	0.3
176.94447	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0908
Annotation	2-Phenylbutyric acid
Peak:m/z	Relative Intensity
53.03939	2.1
55.01863	3.6
55.05499	4.3
57.03424	2.5
61.00150	0.6
61.02910	0.8
65.03934	2.0
67.05492	7.4
69.03416	7.2
69.07066	0.9
71.04993	0.7
71.45682	1.6
72.08142	1.7
73.02896	2.3
73.35084	0.5
79.05485	11.9
79.75551	0.5
80.31580	0.5
81.03407	1.5
81.07046	7.6
83.04969	3.0
83.08572	0.6
84.08127	0.9
84.49123	0.5
85.02898	3.8
85.29434	0.6
87.00514	0.6
91.05466	53.3
92.05787	1.6
93.07026	27.0
94.07297	0.7
94.92047	0.5
95.04960	9.5
95.08595	14.4
99.04465	0.6
101.00871	1.4
101.11217	0.6
103.03954	1.0
103.05450	3.2
104.06226	0.9
105.03367	0.8
105.04469	0.7
105.07012	9.1
107.04934	1.3
107.08568	3.8
109.02850	0.7
109.06514	4.5
109.10139	3.8
111.04432	2.4
117.07003	8.2
119.01905	7.2
119.04921	36.8
119.08560	100.0
120.05231	0.8
120.08082	6.1
120.08914	1.8
121.06494	1.4
121.10117	4.2
123.04403	12.3
123.08042	4.2
123.11682	1.2
129.06981	3.4
132.05681	0.8
133.02820	2.5
137.02928	2.0
137.05956	4.6
137.09593	7.3
138.05438	0.6
142.03473	5.4
142.96716	1.6
146.86407	0.6
147.04384	89.3
147.08017	29.0
147.11659	2.5
148.04741	2.8
148.08351	0.8
160.04500	1.7
165.01720	0.6
165.05540	3.9
165.06862	1.0
165.07478	0.9
165.09082	17.8
165.12743	4.7
166.04930	1.0
166.07275	1.0
166.08488	0.9
166.66180	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0909
Annotation	2-Phenylbutyric acid
Peak:m/z	Relative Intensity
51.02375	0.4
53.03937	2.5
55.01855	2.8
55.05501	3.7
56.96553	0.5
57.03423	2.0
57.07084	0.4
58.06598	0.4
61.02913	0.6
65.03936	1.5
67.05495	7.0
69.03424	3.6
69.07056	0.8
70.06583	0.3
70.50155	0.9
71.01364	0.4
71.04984	1.0
72.08142	3.1
73.02904	1.8
77.03918	0.9
79.05479	12.1
80.04986	0.6
81.03416	2.7
81.07033	7.0
81.96033	0.3
83.04951	1.9
83.08602	0.4
84.08140	1.2
85.02873	1.4
91.05463	51.8
92.05798	1.4
93.03381	0.6
93.07024	29.0
94.07362	0.6
95.01324	1.9
95.04948	10.3
95.08590	25.7
96.05315	0.4
96.08905	0.5
97.02874	0.5
99.04473	0.5
100.07595	0.7
101.00859	1.7
103.05461	2.8
104.06228	0.9
105.03384	0.7
105.04469	0.6
105.07016	11.2
107.04942	1.7
107.08567	2.2
109.02857	3.7
109.06490	4.3
109.10138	3.5
111.04386	1.1
117.06998	7.4
119.01913	6.8
119.04919	37.5
119.08556	82.8
120.01946	0.4
120.05260	1.3
120.08074	3.9
120.08916	1.8
121.06470	0.6
121.10101	2.9
123.04412	9.0
123.08059	3.6
123.11742	0.7
124.02465	0.4
129.05438	0.4
129.06975	2.4
132.05653	1.1
133.02831	1.5
133.06509	2.8
136.07558	0.4
137.02962	3.0
137.05949	6.6
137.07883	0.8
137.09563	6.3
138.05447	0.6
138.09108	0.9
142.03476	5.7
142.96681	0.7
147.04379	100.0
147.08014	27.5
147.11685	1.0
148.03699	0.4
148.04781	3.5
148.08427	0.9
156.15460	0.4
160.04503	2.6
165.05481	5.7
165.06892	1.0
165.09076	18.2
165.12729	1.1
166.04990	4.1
166.08604	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0908
Annotation	2-Phenylbutyric acid
Peak:m/z	Relative Intensity
51.02369	0.5
53.03933	1.9
55.01855	3.1
55.05500	3.7
57.03434	2.4
57.07059	0.4
59.04964	0.6
61.02895	0.8
65.03928	1.1
67.05492	7.7
69.03413	6.9
69.07054	1.2
70.06554	0.5
71.04974	1.4
71.25399	0.9
71.25741	0.4
72.08141	1.6
73.02895	1.7
74.03341	0.4
79.05477	11.5
81.03416	1.9
81.07041	9.3
83.04971	3.0
83.08588	0.4
83.93039	0.6
84.08121	0.6
85.02890	2.4
87.04472	0.6
91.05463	53.5
92.05790	1.5
93.07025	25.6
94.07391	0.6
95.01251	0.4
95.04949	9.3
95.08588	9.9
97.06521	0.7
98.09654	0.4
99.04436	0.9
100.07600	1.0
101.00850	0.9
101.02554	0.5
103.03951	0.4
103.05434	2.7
104.06226	1.3
105.03379	0.6
105.04488	0.8
105.07014	10.8
105.08604	0.5
107.04934	1.3
107.08560	3.1
109.02840	0.6
109.06503	3.8
109.10147	5.5
111.04426	1.8
115.05421	0.7
117.06994	7.8
119.01909	7.3
119.04922	34.6
119.08556	100.0
120.05263	1.2
120.08070	5.5
120.08894	2.7
121.06493	1.3
121.10122	5.3
122.03651	0.5
122.07254	0.7
123.04407	6.9
123.08038	3.2
123.11663	1.5
124.03925	0.6
129.05432	0.5
129.06966	2.5
132.05664	0.9
133.02829	2.8
135.03374	0.6
137.02942	3.6
137.05020	0.9
137.05952	3.6
137.09578	7.2
138.05440	0.5
138.09102	0.6
141.96957	0.5
142.03465	5.6
142.96657	3.7
147.04378	84.6
147.08011	27.7
147.11641	5.7
148.04698	3.2
148.08369	1.1
160.04509	2.8
165.01817	0.6
165.04379	3.4
165.05380	3.4
165.06770	0.8
165.09079	19.2
165.12715	7.0
165.98326	0.4
166.04959	1.6
166.08466	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	165.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33487	0.3
53.03946	0.4
55.05500	1.2
56.96561	0.6
65.03934	1.0
67.05495	1.1
68.81477	0.3
69.03416	1.7
69.07054	0.7
71.21169	0.4
72.08154	2.2
79.05475	1.3
80.94960	0.5
81.03413	0.9
81.07048	1.0
82.71260	0.3
82.99804	0.3
83.04949	0.5
84.08130	1.5
85.02882	0.5
91.05467	19.4
92.05797	0.5
93.07027	1.7
95.04965	3.9
95.08592	0.6
98.09657	0.4
100.07597	1.4
101.00867	6.7
103.05457	5.2
105.07035	0.4
105.08614	1.3
107.04931	1.9
109.06512	0.8
112.11239	0.4
119.01907	28.8
119.04923	40.8
119.08540	1.3
120.01984	0.8
120.05258	1.4
120.08086	46.4
123.04411	7.6
123.08080	0.4
124.02410	1.6
131.04880	0.8
137.02942	9.7
137.05927	0.6
138.03035	0.6
142.03474	25.4
143.03662	0.8
147.04384	100.0
148.04739	3.4
149.04573	0.8
149.05942	0.6
160.04526	9.8
161.04688	0.6
165.05440	2.8
165.09052	0.8
166.07245	5.6
166.08580	1.0
167.05620	1.5
171.14857	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0544
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
55.05503	0.5
57.03421	0.2
61.46354	0.2
62.24477	0.2
65.03928	0.8
67.05486	0.7
69.03413	0.5
69.07041	0.2
69.41190	1.8
72.08146	1.2
77.58487	0.2
79.05487	0.4
81.07044	1.0
83.04979	0.2
84.08144	0.5
85.02896	0.4
91.05460	18.5
92.05796	0.2
92.57610	0.3
93.06999	0.3
95.01296	0.4
95.04965	3.1
97.02875	0.2
100.07574	0.3
101.00908	0.4
103.05415	0.3
105.07021	0.4
109.06503	0.3
109.10125	0.3
119.01947	1.5
119.04916	41.9
119.08553	0.9
120.05186	0.9
120.08105	0.3
121.06474	0.2
121.26283	0.2
123.04406	4.6
133.02773	0.2
137.02946	0.6
137.05957	0.5
137.07893	0.2
142.03473	1.5
147.04376	100.0
148.04710	2.5
148.12238	0.2
160.04575	0.4
165.05432	2.3
165.09100	0.9
178.19824	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44609	0.2
57.03407	0.3
63.92184	0.2
65.03931	0.6
67.05463	0.2
69.03415	0.7
70.81647	0.6
72.08128	0.3
76.08928	0.2
77.03954	0.2
81.07017	0.3
83.04967	0.3
84.08142	0.3
84.81205	0.2
85.00474	0.2
85.02899	0.3
91.05463	17.9
92.05789	0.4
93.23428	0.2
95.04949	1.3
101.00872	0.6
105.07027	0.3
119.01917	3.2
119.04918	40.0
119.08547	0.5
120.05270	0.8
120.08073	0.8
123.04412	2.1
123.08035	0.2
137.02930	1.1
137.05919	0.3
137.09558	0.2
142.03474	2.8
142.70894	0.2
147.04381	100.0
148.04745	2.3
149.05760	0.2
160.04503	0.8
165.05432	1.8
165.09045	0.5
166.08585	0.2
177.02867	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.3
55.05488	0.6
57.03432	0.5
61.02909	0.4
65.03925	0.9
66.36580	0.2
67.05486	0.9
69.03416	1.4
70.99472	0.5
70.99825	0.3
72.08143	0.9
73.02884	0.2
79.05476	0.5
81.03397	0.4
81.07048	0.8
83.04962	0.7
84.08156	0.2
85.02908	0.6
91.05466	17.5
92.05816	0.4
93.07023	0.4
95.01306	0.4
95.04963	2.4
95.08593	0.6
97.96011	0.2
100.07604	0.2
101.00864	0.6
103.05444	0.4
105.07056	0.4
105.08626	0.2
109.06491	0.4
109.10139	0.4
110.22538	0.2
113.27335	0.2
119.01933	3.1
119.04921	40.2
119.08578	1.0
120.05272	0.8
120.08099	0.9
121.06461	0.5
123.04410	3.0
124.02356	0.2
129.05458	0.2
129.87239	0.2
133.02808	0.3
137.02954	0.9
137.05957	0.6
137.09575	0.5
142.03464	2.9
147.04382	100.0
148.04718	2.7
160.04533	0.7
165.01738	0.2
165.05475	2.9
165.09052	1.3
165.12689	0.3
166.04939	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0544
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
55.05499	0.4
64.73463	0.2
65.03924	0.8
67.05483	0.5
69.03413	0.6
70.73090	0.4
70.73467	0.4
72.08128	0.4
76.41436	0.2
79.05467	0.3
81.07025	0.6
83.04973	0.4
84.08114	0.3
91.05466	16.8
92.05798	0.5
93.07014	0.4
95.04966	2.2
95.08577	0.2
96.36428	0.2
100.07594	0.3
101.00861	0.7
103.05415	0.4
105.07011	0.4
107.04982	0.3
109.06487	0.5
119.01910	5.4
119.04922	39.4
119.08541	0.5
120.05250	1.2
120.08091	3.0
123.04395	3.6
133.02817	0.3
137.02939	1.5
137.05937	0.7
142.03470	4.8
147.04385	100.0
148.04715	2.7
160.04512	1.6
165.05431	2.2
165.09071	0.6
166.08627	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0544
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
54.03490	0.2
65.03938	0.8
69.03424	0.3
69.38496	0.2
69.65991	1.3
72.56200	0.2
91.05465	19.6
92.05788	0.3
95.01289	0.3
95.04955	1.4
98.20756	0.2
101.00871	0.3
111.41842	0.2
119.01929	1.7
119.04921	44.3
120.05206	1.1
120.08059	0.7
123.04419	1.6
137.02940	0.4
142.03442	1.2
147.04382	100.0
148.04732	2.6
160.04526	0.5
165.05463	1.8
165.09033	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0544
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
51.02398	0.2
55.01848	0.3
55.05505	0.4
65.03918	1.0
67.05487	0.4
69.03416	0.9
70.99464	0.5
72.08151	0.4
81.03404	0.3
81.07059	0.5
83.04965	0.3
91.05467	16.8
92.05792	0.4
92.26897	0.2
95.04964	1.6
95.08582	0.3
100.07581	0.3
101.00861	0.5
105.07044	0.2
105.08642	0.2
107.08533	0.2
109.06493	0.3
109.10149	0.3
118.04086	0.2
119.01910	2.4
119.04925	40.0
119.08566	0.4
120.05267	0.7
120.08100	0.3
123.04402	2.1
137.02925	0.6
137.05927	0.6
137.09566	0.3
142.03485	2.0
147.04385	100.0
148.04715	2.3
160.04524	0.7
165.05443	2.8
165.09087	0.5
165.12752	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.5
56.05032	0.3
56.96546	0.4
57.03426	0.5
58.06596	0.3
61.01149	0.3
67.05479	0.3
69.03427	0.5
70.06574	1.3
70.58914	0.8
71.06914	0.8
71.89181	0.2
72.08146	2.3
80.67912	0.2
81.03413	0.3
81.07047	0.5
82.01425	0.6
82.99817	1.6
83.04969	0.2
84.08129	3.2
85.02888	0.4
85.06506	0.2
86.09706	0.3
91.05477	0.8
95.01309	0.3
95.04965	2.1
95.05988	0.2
100.02465	1.4
100.07619	0.3
101.00861	21.0
102.00951	0.7
102.05517	0.4
112.11229	0.5
116.07099	0.2
118.03496	1.0
119.01900	100.0
119.04929	1.1
119.07222	0.5
120.01976	4.4
121.02290	0.5
123.04418	3.1
124.02419	4.3
125.02520	0.3
130.08646	0.4
133.03354	0.4
134.03505	0.7
137.02933	35.0
138.03049	1.4
139.03314	0.3
142.03474	84.1
143.03575	3.4
144.53259	0.3
147.04311	1.5
148.21231	0.2
149.04625	0.4
149.05878	0.3
158.06493	0.6
158.19400	0.2
160.04529	29.7
161.02892	0.4
161.04698	1.1
165.05069	2.4
165.07625	0.4
165.10191	0.8
166.07196	1.5
166.08549	0.7
167.05574	0.3
170.50769	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42054	0.3
59.97230	0.3
61.29898	0.3
64.78543	0.3
71.03199	0.9
71.03552	0.4
72.56904	0.3
82.01437	0.6
82.78210	0.3
82.99813	1.9
84.73262	0.3
95.94546	0.3
100.02488	1.8
101.00861	25.4
102.00964	0.3
118.03520	0.5
119.01897	100.0
120.02024	2.1
124.02419	6.1
137.02928	29.5
138.03053	0.4
142.03471	83.4
143.03612	2.2
160.04529	28.0
161.04688	0.5
165.05037	2.2
173.77139	0.3
180.27332	0.3
183.06140	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.41536	0.3
67.06761	0.3
71.37913	0.9
78.17069	0.3
82.99790	1.6
100.02442	1.2
101.00856	25.5
102.00969	1.0
118.03510	0.5
119.01894	100.0
120.01977	4.4
121.02364	0.4
123.04378	1.3
124.02410	5.3
137.02927	31.7
138.03015	1.8
142.03468	80.3
143.03619	3.0
145.03337	0.4
147.04346	0.9
156.05055	0.3
160.04523	30.3
161.04668	1.3
165.05070	2.7
166.07176	1.5
167.05524	0.6
183.06111	0.7
183.38382	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86768	0.9
55.05484	2.8
57.03407	3.3
61.02919	1.9
67.05503	1.3
69.03421	13.0
71.04980	1.0
71.54237	1.5
73.02872	1.2
77.72160	0.9
79.05485	1.8
81.03395	2.0
81.07042	2.6
83.04967	5.3
83.93011	3.6
85.02883	4.1
85.94601	1.0
87.04446	1.1
91.05460	12.2
93.07015	1.9
95.04960	4.9
95.08581	1.8
99.04458	1.4
100.02468	1.1
101.00848	10.4
103.03928	1.2
105.06987	2.6
107.08568	3.9
109.06528	1.2
109.10126	1.3
111.04411	1.5
119.01897	100.0
119.04908	21.4
119.08552	3.5
119.95084	2.1
120.01979	3.8
120.08069	5.9
123.04396	2.0
123.08078	0.9
124.02420	5.1
124.03905	1.8
129.05466	2.1
133.02840	1.7
137.02936	48.8
137.05864	1.7
137.09557	1.7
138.03088	1.2
142.03470	95.3
142.96651	14.6
143.03592	4.5
147.04384	56.7
147.08022	2.3
147.11664	1.9
148.04739	1.6
160.04523	48.3
161.04645	2.1
165.01906	1.1
165.05104	25.5
165.09064	3.4
165.10231	1.2
165.12695	2.5
165.98253	3.9
166.05115	2.7
166.08574	2.2
168.42433	1.0
183.06158	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1114
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
53.03922	2.2
55.01857	3.2
55.05499	5.4
56.05008	0.6
57.03423	2.5
57.07051	2.7
61.02902	0.7
65.03923	1.2
67.05493	2.5
69.03413	11.7
69.07052	3.8
69.59195	3.5
71.04984	2.3
72.08135	3.4
73.08447	0.5
74.04267	0.5
77.03914	0.9
79.05476	11.9
81.03391	1.7
81.06581	0.8
81.07040	14.7
83.04972	3.4
83.08569	0.6
83.50510	0.4
84.08118	1.7
85.02880	1.3
85.06512	0.5
86.36168	0.6
89.03911	3.4
89.05981	1.0
89.54289	0.5
91.05461	13.4
93.03410	0.5
93.07022	25.7
95.04946	10.9
95.08579	2.5
98.09627	0.5
99.04440	2.1
99.18848	0.6
99.22198	0.6
99.58447	0.6
100.02425	0.6
100.07594	3.1
103.03969	1.1
103.05445	34.6
104.05770	1.5
105.03385	0.6
105.04509	1.1
105.07010	22.2
106.06575	0.9
106.07336	0.6
107.04936	8.1
107.08570	35.1
108.08843	0.6
109.06480	2.1
112.11217	0.6
115.05443	2.2
117.03373	4.1
117.05627	0.5
117.06988	12.4
119.04911	0.7
119.08553	10.9
120.04408	0.6
120.08070	0.5
120.09343	0.6
121.06481	9.0
121.10117	31.6
122.10498	0.6
123.08049	1.2
127.03881	1.4
128.06181	1.0
129.06976	1.8
130.06651	1.0
130.07751	11.1
131.04900	50.3
132.02237	0.5
132.05240	1.8
132.08034	1.6
133.02798	3.5
133.06467	2.4
133.10110	2.4
135.04387	11.5
135.08043	5.6
135.11659	20.6
135.12709	1.0
136.07553	1.5
136.12024	0.8
143.08488	2.9
143.79271	0.5
144.91275	0.5
145.02858	3.5
145.03891	0.7
145.06477	1.0
145.10091	48.6
146.10420	2.2
147.08022	1.4
148.08807	2.4
151.94890	0.7
158.85532	0.5
160.35823	0.4
163.03868	27.0
163.07504	14.3
163.11142	100.0
163.14790	1.6
164.04298	0.6
164.06967	2.6
164.11595	2.9
171.14908	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1479
Annotation	Geijeren
Peak:m/z	Relative Intensity
50.67921	0.5
51.02363	0.9
53.03948	5.3
55.01857	0.5
55.05499	6.2
56.05016	0.5
57.07064	5.1
61.02905	1.3
63.99931	0.5
65.03943	0.7
67.05496	17.1
69.03410	0.6
69.07059	9.5
69.96241	2.6
72.08147	4.2
77.03917	1.2
78.57899	1.4
79.05483	36.7
80.05810	0.9
81.03393	1.0
81.07044	30.1
82.07365	0.9
83.08606	5.6
84.08123	2.2
85.02883	1.9
89.03908	0.6
89.06005	1.9
91.05468	8.0
92.02616	3.0
93.07030	38.3
94.07367	1.3
95.04954	11.5
95.08592	27.5
96.08893	0.8
97.10133	2.0
98.09666	1.1
98.21358	0.7
99.06389	0.6
99.58404	0.9
100.02457	1.7
100.07619	3.0
103.05430	3.7
105.03374	3.9
105.04485	2.8
105.07002	2.4
106.06544	1.7
107.04926	3.2
107.08577	35.0
108.08115	0.8
108.08877	1.1
109.06490	0.7
109.10139	2.5
117.03330	0.7
117.05684	1.3
117.07002	1.3
118.03487	2.0
119.04866	0.9
119.08609	2.7
120.02120	0.7
120.08098	0.6
121.06496	1.3
121.10126	49.7
122.10461	2.2
130.06497	2.2
131.04907	4.1
132.08109	3.5
133.02834	19.6
134.03185	1.1
135.04395	20.0
135.08044	1.2
135.11684	5.8
136.04797	1.1
136.07556	1.1
138.03128	0.8
145.06459	0.8
145.10066	1.2
162.65379	0.6
163.03879	100.0
163.07417	2.5
163.08665	1.3
163.11113	5.4
163.12318	3.6
163.14799	45.8
164.04320	6.6
164.07016	3.0
164.10670	1.4
164.15115	1.7
171.14854	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1479
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02362	0.6
53.03935	5.7
55.01855	1.2
55.05503	9.5
56.05012	0.5
57.03415	1.1
57.07071	3.8
58.06593	0.6
61.02647	0.7
61.02918	9.4
65.03922	0.7
67.05493	19.9
69.03417	2.5
69.07059	10.6
69.62870	3.0
69.63282	1.0
70.06552	1.2
70.07379	0.7
71.04982	0.5
72.08150	4.8
73.02908	4.6
77.03912	1.5
77.16079	0.5
78.57873	1.6
79.05479	39.1
80.05004	0.9
80.05811	1.1
81.03410	1.4
81.07042	31.6
82.06569	0.7
82.07374	0.8
83.04953	0.7
83.08212	0.6
83.08617	6.3
84.08115	2.2
85.02891	7.7
86.07852	1.0
89.03897	0.8
89.06005	1.6
91.03971	2.9
91.05468	9.8
92.02596	2.3
93.07028	41.5
94.07333	1.1
95.04950	11.5
95.08591	27.8
96.08907	0.6
97.02867	2.8
97.10146	1.7
98.09656	0.8
98.20837	0.7
99.04448	0.9
99.58403	1.1
100.02459	2.0
100.07597	3.9
103.05437	3.9
105.03376	3.1
105.04481	3.8
105.07005	4.5
105.08639	1.4
106.06519	1.8
106.07176	0.5
107.04946	4.7
107.08577	37.2
108.08157	0.4
108.08877	1.3
109.06506	0.9
109.10135	2.3
112.11201	0.5
117.05701	0.9
117.06975	2.8
118.03465	1.7
118.06510	1.1
119.04836	0.5
119.08582	2.7
120.08049	0.8
121.06509	1.3
121.10121	53.3
122.06030	0.5
122.10464	1.5
123.04068	0.7
123.08048	0.6
127.03920	0.6
130.06537	2.6
130.07501	0.5
131.04915	5.2
132.08083	3.3
133.02827	21.6
134.03165	1.1
135.04391	19.9
135.08028	3.7
135.11670	8.2
136.04771	0.6
136.07584	0.9
138.03107	0.7
145.06490	1.0
145.10092	6.1
148.05125	0.7
163.03873	100.0
163.07515	2.6
163.08673	1.8
163.11130	11.5
163.12350	3.5
163.14792	50.4
164.04375	5.6
164.05505	0.9
164.07024	3.6
164.10603	1.3
164.15161	2.4
168.17477	0.7
171.14859	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.0759
Annotation	DL-2-Aminoadipic acid
Peak:m/z	Relative Intensity
54.03461	0.9
54.82137	0.4
55.05503	1.6
56.05028	5.0
57.03423	0.9
58.06573	0.7
61.91958	0.4
66.92319	0.4
68.05018	18.4
69.03411	1.5
69.70801	2.4
69.71223	0.8
70.06583	13.2
70.35146	0.4
71.04986	5.9
72.04504	2.2
73.06536	0.8
74.02438	1.4
74.06062	2.2
76.64944	0.4
79.05464	0.4
80.05008	12.1
81.03403	0.9
84.04496	6.3
84.08138	1.4
85.02915	1.0
85.04817	0.5
85.06534	1.1
86.06056	1.1
87.04465	0.7
90.05558	0.8
96.08100	0.5
97.02913	0.5
98.06039	100.0
98.09676	1.6
99.06367	1.7
100.03967	0.9
100.07614	1.3
102.05542	3.2
102.09145	2.3
103.03955	0.6
114.97658	0.4
116.07080	26.0
116.10698	1.5
117.07418	0.4
119.01862	0.5
120.02023	0.6
120.06582	1.6
122.04543	0.5
126.05499	9.7
126.06392	0.7
126.09168	0.9
130.04964	1.0
135.04356	0.7
144.06540	46.9
144.93784	0.4
145.06831	1.4
150.07610	0.5
162.07594	50.4
162.11229	4.1
163.03908	1.3
163.08757	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0966
Annotation	3-Hydroxystachydrine
Peak:m/z	Relative Intensity
51.07524	0.5
55.05500	18.3
56.05024	5.0
57.04557	0.5
58.06596	0.7
60.08164	0.8
60.38324	0.5
65.01212	0.5
68.05025	1.0
69.03413	0.5
69.07054	20.7
69.14011	0.4
70.06582	14.0
71.04966	0.5
71.51781	0.9
72.08163	0.8
74.02410	1.3
79.05476	1.4
82.06564	4.8
84.04511	0.8
84.08118	2.0
85.02882	0.6
86.06047	1.9
87.04436	2.4
88.03963	1.9
96.08111	100.0
97.02875	0.7
97.06512	0.8
97.08438	1.9
98.06019	0.8
100.07587	4.7
101.00858	1.0
101.02350	0.5
114.03750	1.1
114.05510	1.4
114.09145	92.2
115.09483	2.3
116.04719	8.6
117.05054	0.7
119.01904	4.1
129.49184	0.6
130.06557	0.5
137.02946	1.5
142.03424	0.9
142.08606	29.3
143.08945	0.7
144.06535	0.8
160.09657	90.3
160.13190	3.3
161.09984	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	161.0293
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	0.2
70.56012	0.5
72.17802	0.1
82.99814	1.2
83.04977	0.2
89.03425	0.2
93.07037	0.2
98.97572	0.3
100.02516	0.2
101.00861	16.9
102.00922	1.0
102.96835	0.4
103.00608	0.2
103.02413	0.5
107.05265	0.6
110.53934	0.1
111.04421	0.9
116.05763	2.2
116.55899	0.3
116.98636	0.1
117.05679	0.2
118.03503	0.2
119.01900	100.0
120.01973	6.9
120.97923	0.3
121.01598	0.7
121.02354	0.4
121.03501	0.2
124.02403	0.3
126.02286	0.2
127.56571	0.4
129.04732	0.3
134.99646	0.2
137.02930	40.4
138.03017	2.6
139.03455	0.3
142.03462	2.6
143.01909	0.3
143.03601	3.3
144.03204	1.0
147.04982	0.3
160.04538	0.6
161.02931	5.6
161.04622	1.3
162.03072	0.3
162.04324	0.4
165.06029	0.3
179.03978	9.8
180.04108	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.0759
Annotation	2-Aminohexanedioic acid
Peak:m/z	Relative Intensity
51.31835	0.4
53.03930	0.7
54.03460	0.6
55.01863	3.7
55.05490	2.5
56.05019	5.8
56.96549	6.0
57.03424	3.5
57.07058	0.9
58.06578	2.1
58.99583	0.6
59.04985	0.5
60.04523	2.1
60.05635	4.5
60.08141	0.7
60.19811	0.4
60.95839	1.0
61.01139	0.5
61.02907	1.6
62.06054	0.4
67.05486	2.0
68.05014	17.5
68.99771	1.8
69.03412	4.2
69.07034	1.3
70.02940	0.5
70.06579	21.4
71.04978	7.7
71.06918	0.6
71.27953	0.9
72.04496	3.1
72.08143	2.3
73.02897	1.9
73.50845	0.5
74.02440	1.2
74.06056	5.8
75.04462	1.4
79.05479	1.5
80.04999	12.7
81.03397	3.3
81.07024	0.8
82.01442	1.2
82.06563	0.8
82.27843	0.4
83.04942	1.3
84.04489	4.5
84.08125	5.6
85.02890	6.9
85.03365	0.7
85.06512	2.0
86.06068	0.9
86.09669	0.6
87.04451	1.2
87.53468	0.6
88.03979	0.7
89.03900	4.2
90.01566	0.6
91.05456	1.5
93.07027	1.5
94.52396	0.5
95.04974	1.0
95.06094	0.9
96.04483	0.5
97.02890	2.3
97.99167	0.5
98.01266	0.6
98.06038	100.0
98.09690	1.4
98.97572	1.8
99.04430	1.6
99.06364	1.3
99.53477	0.6
100.02467	5.6
100.03947	1.8
100.07601	3.2
101.00861	1.3
101.02485	0.5
101.53185	0.6
102.00918	3.8
102.02233	0.6
102.03726	0.7
102.05517	4.8
102.09151	0.9
102.96860	6.0
103.00626	2.8
103.01363	1.4
103.02410	0.9
103.03965	1.1
103.05447	6.6
104.01291	0.5
105.02067	0.9
105.07004	0.8
105.51646	0.9
106.00988	0.7
106.06570	2.4
106.07220	0.6
107.04939	1.9
107.53194	1.0
108.05132	0.8
109.02818	2.1
109.07617	0.4
109.52957	1.4
109.67440	0.4
110.01273	1.0
110.02130	1.2
110.07178	1.0
111.04408	0.8
112.02839	0.4
112.08711	0.8
113.53194	1.1
114.04028	0.9
114.05541	0.6
114.09145	0.6
114.52156	2.8
115.01254	0.4
115.02234	0.5
115.04013	0.5
116.07072	28.3
116.10722	1.1
116.55807	1.6
116.98599	1.2
117.02118	0.5
117.03387	4.2
117.05644	2.3
118.01016	0.9
118.03510	3.1
118.06556	0.6
119.01887	9.3
119.02674	2.6
120.01982	40.5
120.06617	5.8
120.08081	19.1
120.96514	1.0
120.97886	7.1
121.01644	24.5
121.05054	0.5
121.06495	1.2
121.08430	1.2
121.52084	0.5
121.52901	5.2
121.54698	0.7
122.02245	0.5
122.03108	0.5
123.52689	1.2
124.07593	0.4
125.02672	5.0
125.52676	0.8
125.53448	0.5
126.02144	0.8
126.05489	10.3
127.01510	3.3
127.03885	0.7
128.98589	0.5
129.54666	0.6
130.06476	2.8
130.09735	1.5
130.52538	0.8
130.53441	6.8
130.55232	3.4
131.01877	1.9
131.03481	1.6
131.04848	2.7
132.05075	0.9
132.08072	4.9
133.03601	0.7
133.07643	0.8
134.03621	0.5
134.06003	1.4
134.09642	0.6
135.03372	0.6
135.04385	8.8
135.08075	0.5
136.53413	0.8
137.02925	4.4
138.03024	20.8
138.98927	4.7
139.01770	0.5
139.02655	9.7
139.53055	1.4
139.55785	0.8
141.01257	0.5
141.02873	0.6
141.05115	0.5
142.03426	1.0
142.06061	1.2
143.03519	1.9
144.02112	0.9
144.03215	9.5
144.06534	49.9
144.10191	1.2
144.13800	3.1
145.02731	3.5
145.05019	0.6
145.48825	0.6
149.01151	0.6
150.01794	0.7
150.03487	0.6
150.07663	0.7
154.03464	0.6
156.97462	1.3
156.99950	1.1
157.03436	1.5
161.04726	1.0
161.06612	1.3
162.03099	3.1
162.04268	5.0
162.05464	4.5
162.07593	50.4
162.11255	1.8
162.14874	6.2
163.02553	0.9
163.03853	12.4
163.08685	8.1
163.11006	0.7
163.12279	5.4
170.06613	0.6
174.98476	2.2
175.11870	4.0
177.00807	0.6
177.02473	0.5
180.04079	4.5
181.03857	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0966
Annotation	3-Hydroxystachydrine
Peak:m/z	Relative Intensity
50.06497	0.7
55.05502	19.8
56.05021	6.8
57.04553	0.9
58.06588	1.1
60.08148	1.4
69.03437	0.7
69.07056	25.1
70.06577	10.8
71.04964	0.9
71.23316	1.2
71.23645	1.0
71.77525	0.7
72.08138	0.8
73.02913	0.9
74.02424	1.1
78.52935	0.9
81.63411	0.7
82.06567	9.4
82.99879	0.7
84.04478	0.8
84.08125	2.5
85.02908	1.0
86.06053	2.3
86.79605	0.8
87.04452	3.2
88.03983	2.6
96.08112	100.0
97.02888	0.9
97.08444	2.9
98.06028	1.8
100.02458	1.9
100.07591	9.1
101.00859	3.6
101.02345	0.8
104.07110	1.0
114.03770	2.4
114.05547	1.6
114.09145	89.9
115.09471	2.2
116.04716	9.5
118.03555	1.2
118.06463	0.8
119.01904	21.4
125.07140	0.9
129.01805	0.8
130.08600	0.9
133.03442	1.4
137.02921	9.9
142.03465	7.0
142.08606	31.4
144.06517	1.0
160.04485	2.8
160.09659	81.3
160.10728	3.7
160.13275	4.5
161.02916	1.4
161.09984	2.9
179.03951	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94608	0.2
53.50005	0.1
55.01856	0.5
56.05019	0.7
61.02913	0.4
63.43531	0.1
68.05012	0.6
70.06580	0.2
70.43880	0.6
78.52967	0.3
81.04515	0.7
82.01426	0.3
82.05306	2.2
83.06088	8.2
84.08128	0.5
86.52733	0.2
87.37786	0.1
93.04510	5.0
94.85380	0.2
95.06075	6.7
100.02496	0.8
101.00851	1.3
101.02502	0.2
110.07143	100.0
111.05544	0.9
111.06801	0.4
111.07469	1.8
111.09152	0.3
111.98475	0.2
112.08647	0.2
114.03998	0.2
118.03519	0.4
119.01902	5.1
120.02014	0.3
124.02440	0.2
126.09098	0.4
132.95811	0.4
133.03435	0.7
137.02902	1.4
142.03461	2.6
150.96867	0.6
151.04485	0.3
156.07652	14.0
156.10138	0.8
157.07970	0.4
157.09581	0.2
160.04543	0.8
168.01279	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.081
Annotation	2-Hydroxyethylclavam
Peak:m/z	Relative Intensity
50.05023	0.8
52.25540	0.6
53.03932	1.3
55.01861	4.2
55.05502	28.6
56.05015	2.2
56.05829	1.7
56.96552	3.8
57.03428	1.5
57.07051	1.1
58.06593	1.7
63.05782	2.1
67.05490	6.8
68.04998	0.9
69.03436	1.0
69.07048	2.5
70.06580	11.3
70.70641	0.9
70.70981	1.7
72.04492	3.2
72.07751	1.5
72.08144	25.8
73.08465	0.8
77.24336	0.6
78.57897	6.4
79.05486	1.6
81.03396	1.8
81.07027	2.0
82.06575	1.3
83.08612	6.3
84.04485	5.0
84.08124	19.6
86.07867	8.5
87.04445	0.8
91.07056	1.2
92.07880	1.2
94.05962	1.1
94.06554	18.4
95.07355	4.1
95.08479	0.9
96.04476	19.4
96.08116	8.2
98.06039	15.7
98.09666	6.7
98.97562	16.6
99.04438	1.1
99.09244	0.7
99.58386	6.2
100.07598	25.5
101.07926	1.3
102.05534	1.1
105.08637	11.0
105.58820	1.1
109.10125	2.7
110.09672	1.3
112.07597	5.2
112.11222	2.3
112.55717	3.9
113.59940	2.8
114.05512	20.5
114.09145	2.0
116.07070	1.5
116.97210	2.1
116.98596	13.9
119.12000	1.1
122.05986	5.1
123.11717	0.8
125.10706	4.8
129.13829	1.2
134.99619	5.8
138.05443	1.7
138.12759	2.5
139.12267	1.2
140.07037	100.0
140.12518	1.5
140.14313	4.2
141.07355	2.4
148.63817	1.7
153.00667	1.5
154.12167	1.7
155.11746	2.2
158.08101	40.8
158.09424	2.0
158.11653	1.1
158.15382	1.4
166.12199	1.0
166.15913	0.8
171.14934	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	160.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.3
57.03432	0.3
59.93093	0.3
67.05485	0.3
70.06559	0.3
71.52791	0.3
82.99820	1.2
84.45174	0.2
96.08096	0.3
98.97563	0.2
100.02476	0.7
100.98045	0.3
101.00861	19.1
101.95010	0.6
103.02401	0.3
107.05260	0.4
110.78531	0.2
111.04439	0.5
114.09135	0.8
116.05764	2.1
116.98640	0.4
117.98945	0.4
118.03501	1.6
118.06498	0.7
118.96744	1.4
119.01901	100.0
120.01962	1.8
121.02331	0.5
123.70345	0.2
124.02416	3.0
124.03146	0.3
127.56578	0.3
129.04681	0.7
136.04539	0.9
137.02934	39.9
137.86923	0.2
137.99803	0.3
138.03033	0.5
142.03474	48.4
143.03621	3.0
146.52385	0.3
154.96454	0.5
155.58376	0.3
160.04536	26.2
160.09659	1.0
161.02928	2.9
161.04660	1.4
161.09572	0.3
165.05048	1.3
178.05569	3.3
179.03970	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	160.0966
Annotation	3-Hydroxystachydrine
Peak:m/z	Relative Intensity
55.05498	18.1
56.05021	4.6
56.05835	0.8
57.04549	3.9
58.06578	1.4
58.99556	0.8
59.07374	0.6
60.08142	1.6
68.05011	1.3
69.03429	1.1
69.07053	16.9
70.06577	23.9
70.07368	0.8
71.04969	1.0
71.07660	1.1
71.07994	0.6
72.08139	4.2
74.02441	0.6
74.07183	1.7
79.05470	1.3
82.06562	14.7
84.04492	0.8
84.08128	2.7
86.06054	7.2
86.09666	0.6
87.04447	8.8
88.03987	2.8
88.07618	0.8
90.81669	0.6
93.55997	0.6
94.06554	0.7
96.08111	86.5
97.06546	0.7
97.07749	0.6
97.08441	2.3
98.06012	1.0
98.09674	1.0
98.97589	0.8
100.07600	11.5
101.00832	1.5
101.05989	0.8
104.07081	5.9
106.47512	0.6
110.06064	0.7
114.03751	0.7
114.05502	2.3
114.09142	94.0
115.09496	2.4
116.04716	21.5
119.01900	7.4
125.07075	2.5
131.12865	1.3
133.03545	0.6
137.02919	2.3
142.03462	2.4
142.08603	33.7
143.08983	1.1
160.03601	3.3
160.09651	100.0
160.10806	13.2
160.13245	8.3
161.10077	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	156.0765
Annotation	L-Histidine
Peak:m/z	Relative Intensity
50.46774	0.1
55.01858	0.2
56.05021	0.4
57.03417	0.2
58.38366	0.1
58.99848	0.1
68.05004	0.6
70.06574	0.2
70.95328	0.2
70.95680	0.2
72.08147	0.7
74.02419	0.1
77.00953	0.1
81.04524	0.8
82.01466	0.2
82.05305	1.6
82.06561	0.2
82.99847	0.2
83.06087	8.8
84.06426	0.2
84.08125	0.6
85.07641	0.6
87.02801	0.1
93.04512	6.0
95.06071	7.3
96.06432	0.1
98.20811	0.1
100.02458	0.7
101.00854	1.9
101.02607	0.2
102.02206	0.2
104.05502	0.1
110.07144	100.0
111.05551	1.0
111.06833	0.3
111.07481	1.9
111.09161	0.2
111.98444	0.2
112.08693	0.1
114.04009	0.2
115.02429	0.1
118.03481	0.4
119.01899	9.4
120.01980	0.4
124.02434	0.3
126.09145	0.1
129.99461	0.1
132.05035	0.2
132.95840	0.3
133.03439	0.9
137.02933	2.9
138.03036	0.3
138.06607	0.2
139.05022	0.1
142.03473	5.0
143.03596	0.4
150.96889	0.5
151.04520	0.3
156.07657	13.1
156.10149	0.8
156.14963	0.3
157.06104	0.2
157.07968	0.4
157.09673	0.4
157.13324	0.4
160.04536	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0766
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05021	0.5
68.05016	0.6
70.04965	0.7
71.86484	0.1
81.04530	0.6
82.05299	2.1
82.06567	0.2
83.06087	8.1
92.33662	0.1
93.03906	0.3
93.04508	5.9
94.04863	0.1
95.06073	7.3
96.06415	0.2
100.08382	0.1
102.24023	0.2
109.21661	0.1
110.07142	100.0
111.05534	0.4
111.06821	0.3
111.07479	2.0
119.75326	0.1
149.80272	0.2
156.07654	13.6
157.08011	0.2
161.06104	0.2
166.66908	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1271
Annotation	cis-para-Mentha-2,8-dien-1-ol
Peak:m/z	Relative Intensity
53.03933	1.3
55.01858	1.6
55.05500	9.8
57.03428	4.2
57.07061	1.1
59.04986	1.1
65.03932	5.3
67.05492	22.4
68.05013	1.2
69.03416	4.7
69.07055	39.6
69.44499	1.0
69.44905	3.4
70.94247	4.2
70.95845	3.7
71.04973	2.2
71.94085	6.2
71.95244	2.7
72.04583	0.6
79.05475	17.8
81.03390	0.8
81.07042	29.7
81.50648	0.7
83.04965	8.1
83.08598	4.8
84.04494	0.8
84.08128	1.0
85.06531	2.2
87.04446	2.9
88.95293	1.8
88.96911	1.1
89.00229	0.8
91.05453	3.9
93.03378	1.9
93.07027	38.8
94.07346	1.1
95.04960	2.4
95.08588	14.9
95.09161	1.3
96.17630	0.6
97.06512	21.6
97.40649	0.7
105.07008	1.1
107.04926	1.7
107.08574	40.9
108.04456	0.8
108.08903	1.3
109.06496	1.7
109.10134	28.9
110.10526	0.9
111.04438	11.6
111.08064	5.2
111.11726	1.1
111.96867	3.4
111.98503	0.9
112.04719	0.7
112.96696	2.8
118.06494	1.1
125.05970	6.4
125.09619	1.0
126.05495	1.5
126.06318	1.0
126.09123	1.6
129.97894	3.8
130.97708	2.9
133.10066	0.6
135.04382	2.0
135.08066	1.8
135.11667	92.5
136.03922	2.6
136.07556	6.1
136.12007	3.1
138.04996	0.8
152.99379	0.9
153.04204	0.7
153.05482	5.4
153.06401	1.2
153.07559	3.9
153.09271	3.9
153.12715	100.0
154.04974	3.4
154.06052	0.7
154.08585	5.2
154.13123	3.5
170.58311	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.6
54.03452	1.4
55.05501	100.0
56.05009	2.5
56.05817	2.3
57.07066	14.3
59.06102	2.4
65.03936	7.9
67.05476	2.8
68.05007	9.4
69.03397	2.3
69.04517	5.4
69.07054	54.9
70.06251	1.6
70.06575	19.0
70.07369	2.6
70.65701	1.8
70.66034	2.3
71.06100	8.7
71.08602	9.4
72.04508	8.6
72.08126	5.3
77.14861	1.3
79.05472	1.8
80.05021	1.9
81.04509	3.2
81.07024	3.7
82.06554	2.3
83.04964	4.1
83.06081	5.4
83.08604	52.7
84.08109	4.7
85.07654	9.6
86.06096	1.7
91.05456	3.0
93.03376	3.6
93.07023	2.7
94.06530	2.7
95.04957	2.2
95.06076	15.7
95.08572	3.9
96.04451	2.2
97.06440	3.5
97.07612	4.3
97.10151	54.7
98.06045	2.0
98.07150	2.4
98.10498	2.1
107.04879	2.0
107.06046	1.4
107.08551	3.6
108.04482	1.8
108.08089	1.5
109.06450	1.8
109.07621	4.6
109.10080	1.6
110.03555	1.9
110.06007	2.0
110.07148	19.2
111.04424	14.0
111.05551	2.6
111.06711	2.1
111.07984	9.6
111.09186	19.1
111.11679	4.9
112.03882	1.4
112.05061	6.9
112.07544	2.8
112.08710	57.0
113.05884	1.4
113.07093	2.2
122.07103	2.7
124.08703	1.5
125.05997	7.1
125.06851	1.6
126.05461	2.8
126.09151	2.8
126.10241	5.9
135.11629	2.4
136.03906	4.9
136.07549	6.1
136.08661	16.3
153.05455	3.3
153.06517	3.9
153.07622	3.9
153.09087	2.4
153.10190	6.4
153.11304	47.6
154.04970	7.4
154.06029	2.5
154.08752	8.0
154.09723	7.4
154.12131	2.1
154.13298	1.3
156.06561	1.2
159.16939	1.5
159.74429	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	154.977
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51640	0.1
53.03936	0.1
54.93818	1.5
55.01865	0.7
55.05499	0.6
55.93494	0.1
56.05021	0.1
56.96553	2.0
57.03424	3.2
57.07050	0.2
58.99828	0.5
59.04975	0.1
59.52171	0.2
61.02908	1.1
62.65657	0.1
65.01152	0.1
65.03915	0.2
65.52168	0.2
66.08927	0.1
66.26553	0.1
67.05486	0.9
68.02629	0.2
68.98268	0.1
69.01906	0.1
69.03421	1.5
69.07048	0.2
69.96159	18.9
70.95847	3.2
70.99834	0.1
71.01337	0.1
71.02959	0.2
71.04972	0.2
71.52170	0.1
71.54621	0.2
71.94083	8.1
71.95238	0.2
72.04504	0.7
72.08131	0.1
72.52950	0.8
72.93771	12.6
73.02904	3.3
73.52817	0.2
75.04459	0.3
77.00889	0.6
77.52143	0.7
78.02216	0.1
78.52942	1.2
79.00648	0.1
79.02148	0.4
79.05485	0.1
79.51886	0.1
80.01955	0.1
80.52693	0.4
81.01892	0.1
81.03406	0.9
81.07024	0.7
81.53478	0.2
82.01421	0.7
82.99812	0.2
83.01422	0.1
83.04955	1.0
83.08612	0.1
83.52155	0.1
84.08110	0.1
84.52934	0.4
85.02876	1.1
85.06529	0.2
85.51892	0.3
85.53257	0.1
85.53716	0.6
86.03685	0.1
86.52679	6.6
86.99321	0.1
87.02747	1.0
87.52562	0.8
87.53459	0.4
87.97195	1.8
88.02658	2.8
88.51672	0.4
88.52758	0.3
88.96877	1.3
89.00857	0.2
89.01710	1.0
89.02537	0.4
89.51559	0.9
89.95119	0.9
90.01585	0.1
90.02435	0.1
90.03735	0.1
90.52934	0.3
90.94807	4.7
90.95922	0.2
91.05482	0.2
91.51907	0.1
91.52791	0.1
91.53695	1.1
92.03777	0.1
92.52671	0.7
93.01858	1.2
93.02754	0.2
93.07033	0.2
93.51997	0.1
93.53448	1.0
94.01732	0.2
94.02662	0.3
94.03567	0.3
94.52393	0.2
94.53335	0.2
94.54221	0.1
95.01918	0.2
95.04955	0.4
95.08591	0.3
95.53197	4.3
96.03263	0.5
96.50566	0.2
96.53008	0.5
97.02293	0.1
97.03236	0.9
97.53245	0.2
98.01294	0.2
98.03513	0.6
98.52065	0.1
98.52679	0.4
99.04435	0.5
99.53448	2.4
100.02458	5.5
100.03540	0.5
100.52432	0.7
100.53345	0.2
100.54241	0.4
101.00861	1.7
101.02476	0.8
101.03397	0.1
101.53205	0.6
102.00925	0.2
102.02376	2.9
102.52455	0.4
102.53104	0.1
103.00579	0.3
103.02375	0.7
103.03928	0.2
103.04547	0.1
104.03448	0.2
104.52654	0.7
104.53696	0.3
104.54442	0.1
105.00349	0.2
105.02793	0.1
105.07047	0.1
105.53445	1.9
105.54110	0.1
105.98247	0.1
106.02694	0.1
106.03550	0.2
106.97916	0.2
107.03981	0.5
107.53190	0.6
107.96130	0.1
108.53960	2.6
108.95840	1.1
109.02828	0.6
109.04037	0.5
109.06487	0.2
109.10150	0.5
109.52926	0.3
109.53798	0.4
110.02956	0.1
110.06023	0.2
110.07213	0.1
110.98759	1.1
111.02920	1.1
111.04402	0.9
111.98452	1.6
112.00976	0.2
112.96696	0.6
113.00856	0.7
113.05971	0.3
113.53171	2.2
113.53964	0.2
113.95126	1.4
113.96368	7.4
114.00957	0.3
114.02412	0.1
114.03244	0.3
114.04033	0.9
114.53160	0.1
114.53954	1.3
115.01192	1.2
115.02386	0.9
115.03941	0.2
115.05444	0.1
115.50932	0.1
116.98629	0.2
117.02093	0.1
117.04164	0.3
117.06976	0.2
117.53590	0.2
117.54488	1.0
117.98501	0.2
118.02653	0.2
118.03493	4.3
118.04400	0.2
118.52393	0.1
119.01894	8.4
119.03580	0.5
119.08568	0.2
119.97318	0.3
119.99004	0.3
120.01949	1.0
120.03295	0.5
120.04107	0.2
120.48872	0.3
121.00395	0.1
121.00614	0.1
121.01607	2.1
121.03461	0.4
122.53680	3.6
123.03803	0.7
123.52702	0.1
123.53575	0.3
123.54475	0.9
123.55277	0.2
124.02405	1.1
125.03906	0.2
125.99165	0.2
126.02178	0.1
126.03990	0.2
126.04768	0.1
126.49218	0.5
126.99062	0.5
127.03897	0.8
127.07516	0.3
128.01938	0.2
128.49431	0.3
128.97818	1.2
128.99498	1.3
129.03957	0.2
129.05458	0.2
129.49310	1.4
129.53423	0.2
129.99466	1.5
130.97687	0.7
131.01877	7.0
131.48085	0.2
131.49792	0.1
131.52446	0.3
131.53183	0.6
131.54205	2.0
131.55013	0.3
131.56833	0.3
131.96126	30.2
131.97394	9.0
131.99640	0.6
132.01938	3.0
132.05042	14.6
132.49713	0.4
132.52281	0.2
132.54050	0.2
132.54968	0.5
132.55846	0.2
132.95781	3.1
133.01572	0.7
133.02301	0.7
133.03427	3.9
133.05157	0.4
134.03624	0.2
134.04497	0.3
134.54491	0.2
134.99719	0.1
135.03244	0.2
135.05147	0.2
137.02934	2.6
137.09639	0.2
137.49988	1.2
137.98399	1.0
138.00021	4.4
138.02946	0.3
138.04002	0.3
138.49837	5.2
138.99911	0.7
139.02637	0.6
139.49904	0.1
140.00269	0.3
140.05560	0.1
140.48598	0.2
140.50279	1.1
140.53677	0.2
141.00122	1.2
141.02682	0.3
141.03821	0.2
141.05037	0.3
141.06511	0.1
141.50217	0.4
142.03468	9.6
143.01875	1.3
143.03596	1.5
143.08565	0.2
143.55058	0.2
143.56778	0.3
144.02145	0.1
144.03177	1.9
144.04939	0.2
144.05919	0.1
145.03433	0.8
145.06448	0.1
147.01413	0.2
147.03893	0.1
147.05014	0.4
147.07985	0.2
148.98808	0.2
149.00885	0.6
149.02908	2.0
149.49120	0.2
149.50829	2.9
149.97165	100.0
150.00520	3.8
150.03073	1.1
150.06075	12.2
150.50685	0.6
150.96812	10.0
151.02699	0.3
151.04485	1.3
151.06215	0.4
151.97597	0.4
152.50873	0.2
154.03459	2.3
154.90724	0.2
154.97726	3.8
154.98991	0.8
155.01865	0.9
155.03561	1.7
155.06895	1.5
155.11751	0.3
155.97394	0.8
156.03221	0.4
156.05017	1.8
157.03429	1.2
158.03560	0.2
158.06616	0.2
159.05019	0.2
160.04526	1.8
161.01579	0.3
161.02902	2.7
161.04697	0.4
161.51477	0.3
162.03015	0.5
162.04303	0.5
163.02678	0.3
163.04507	0.1
163.98753	0.3
165.04990	0.7
166.03448	0.3
166.05139	0.1
167.01863	0.2
167.98219	14.4
168.05037	0.4
168.97977	0.3
169.03413	0.1
170.02971	0.3
172.04472	0.8
172.98763	8.1
173.02921	1.5
173.04604	0.3
173.07706	0.5
173.98384	1.3
174.02856	0.2
174.04498	0.2
174.06085	1.7
174.99101	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1271
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03923	3.7
55.01840	4.1
55.05501	38.7
57.03423	8.5
57.07050	3.0
59.04978	2.9
65.03601	1.5
65.03925	20.1
67.05162	1.5
67.05490	19.0
68.05003	3.6
68.96319	1.2
68.99790	1.3
69.03422	8.9
69.07056	21.4
69.23833	10.5
69.24142	0.9
70.94243	11.2
70.95845	5.5
71.04990	8.6
71.08614	2.6
71.94086	6.7
72.08113	1.1
73.06523	4.3
75.04463	8.4
79.01833	1.7
79.05477	26.0
80.04967	1.2
81.03391	2.8
81.07040	31.8
82.04176	1.2
82.06565	1.7
82.07359	0.9
83.04964	58.8
83.07364	1.3
83.08576	4.2
84.04486	1.2
84.05276	1.5
84.08147	4.3
85.06530	1.4
87.04431	3.2
88.95262	3.4
88.96859	1.5
91.05464	19.1
93.03375	8.6
93.07024	82.8
94.07346	2.1
95.04948	73.4
95.08588	59.0
96.05257	2.2
96.08915	1.7
97.02869	2.8
97.03966	1.2
97.06509	21.4
97.10136	1.1
98.06005	0.9
105.07004	3.6
106.04162	1.4
107.04946	7.2
107.06073	1.8
107.08572	100.0
108.04448	1.1
108.08178	1.3
108.08902	3.4
109.06498	18.9
109.10134	27.1
110.03625	4.2
110.05991	1.1
110.10475	1.0
111.04420	46.1
111.08054	19.1
111.96816	7.5
112.04720	1.8
112.07590	1.5
112.96674	2.0
117.06961	1.3
120.48634	0.9
121.02811	2.2
121.06477	16.6
123.04385	2.1
123.08057	2.7
125.02344	1.1
125.05978	22.5
125.09573	5.0
126.05486	1.7
126.09132	4.2
129.97885	9.6
129.99420	1.1
130.97694	3.2
134.05919	1.0
135.04379	4.7
135.05348	1.2
135.08034	10.4
135.11665	51.7
136.03923	3.2
136.07545	10.4
136.11977	2.2
137.02280	1.1
137.05963	1.5
138.06773	4.9
148.97337	2.5
153.01855	6.5
153.04153	1.0
153.05473	18.8
153.06642	2.9
153.09100	28.8
153.10213	5.9
153.12711	47.8
154.04910	7.4
154.05937	0.9
154.08531	7.5
154.12135	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	153.1271
Annotation	Lyratol
Peak:m/z	Relative Intensity
51.59860	1.2
53.03929	3.9
55.01855	1.4
55.05506	25.3
57.03410	2.7
57.07055	3.8
59.04998	6.8
65.03929	18.2
67.05496	11.9
68.04988	2.3
68.51189	1.2
68.96296	2.2
69.03407	4.5
69.07056	15.9
69.44537	8.8
70.94248	8.4
70.95854	4.7
71.04983	41.9
73.06161	2.2
73.06541	25.7
79.01858	1.5
79.05480	32.5
80.04992	1.7
81.03402	1.7
81.07043	100.0
82.06543	2.0
82.07359	2.3
83.04974	13.5
83.08599	3.3
84.08128	9.7
86.97374	1.2
87.04447	2.5
88.95283	1.6
88.96854	2.2
91.05466	13.6
93.03400	10.5
93.07030	49.4
95.04372	1.8
95.04958	21.3
95.08596	12.4
97.06514	20.0
100.07596	2.0
105.07014	3.5
107.04932	8.3
107.08575	54.5
108.04454	1.5
108.08089	5.0
108.08925	1.5
109.06490	7.2
109.10143	12.9
110.03631	5.1
111.04432	25.8
111.08069	7.7
111.96856	5.0
124.07548	1.5
125.02377	2.3
125.05969	15.5
125.09611	5.1
126.05457	1.6
126.09144	8.2
127.01420	1.2
128.04529	2.2
129.97878	4.3
130.71175	1.2
130.83968	1.2
130.96269	2.9
133.54190	1.3
135.04416	5.0
135.08023	5.6
135.11665	36.2
136.03894	3.1
136.07558	15.5
138.03082	5.1
148.97310	3.8
153.01814	5.4
153.05449	25.4
153.09048	9.1
153.10220	4.1
153.12715	24.9
154.04965	4.9
154.08629	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	153.1271
Annotation	Lyratol
Peak:m/z	Relative Intensity
55.01499	1.4
55.01836	3.1
55.05497	18.5
55.82441	1.4
57.03420	2.3
57.07053	3.4
59.04996	7.8
64.88686	1.5
65.03926	20.0
67.05482	12.6
68.04996	4.5
68.99766	1.8
69.03401	7.5
69.07055	17.9
70.94242	16.2
70.95855	7.4
71.04975	42.3
71.94083	11.0
73.06538	20.2
75.04449	1.4
79.01837	1.5
79.05477	31.9
79.49885	1.3
80.05001	2.6
80.92484	1.4
81.03358	2.3
81.07036	100.0
82.06548	1.9
82.07367	2.5
83.04962	18.0
83.08599	3.7
84.08131	2.1
87.04453	3.7
88.95255	3.7
91.05465	14.5
93.03373	9.6
93.07024	53.5
94.06510	1.4
94.07325	1.8
95.01309	2.2
95.04944	23.6
95.08585	15.9
96.77224	1.4
97.02866	3.6
97.06506	18.8
105.07006	3.7
107.04935	8.2
107.08570	52.4
108.08109	2.6
108.08855	2.6
109.02854	1.9
109.06490	6.4
109.10132	14.9
110.03624	5.7
111.03699	2.6
111.04417	40.8
111.08060	13.8
111.96860	9.0
111.98495	2.1
112.96648	4.8
119.08566	2.0
121.06480	2.6
123.04404	1.6
125.02318	3.5
125.05955	23.5
125.09592	3.4
126.05441	2.9
126.09109	2.2
129.97884	10.0
130.97722	2.8
135.04378	3.6
135.08018	8.7
135.11650	41.6
136.03860	3.9
136.07529	12.0
137.02303	1.7
138.03006	1.5
148.97322	1.5
152.99535	2.0
153.01865	7.9
153.02855	1.3
153.05438	20.6
153.06557	3.1
153.09088	17.1
153.10167	2.4
153.12706	34.5
154.04939	6.1
154.08623	7.1
154.12134	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	153.0907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.01864	1.4
55.05504	4.5
56.21722	0.2
57.03429	1.4
59.04992	0.6
65.03932	4.3
67.05494	5.1
68.04985	0.3
68.96323	0.3
69.03418	2.5
69.07057	2.4
70.94247	1.8
70.95847	1.0
71.01328	0.4
71.04987	1.6
71.52917	0.4
71.94082	0.7
72.08125	0.3
73.06544	0.6
75.04469	0.3
76.39836	0.2
79.05481	6.9
80.04982	0.3
81.03397	0.7
81.07041	9.6
81.07520	0.5
82.07371	0.4
83.04966	8.4
83.08595	0.7
84.08131	1.4
85.02911	0.3
87.04482	0.5
88.95286	0.3
88.96876	0.4
91.05466	3.2
93.03373	1.4
93.03890	0.2
93.07030	8.8
94.07395	0.3
94.94164	0.2
95.04951	100.0
95.08590	2.7
96.05285	2.2
97.02859	0.4
97.06519	3.4
99.57099	0.3
103.04467	0.2
105.07005	1.1
107.04929	1.3
107.08574	11.4
108.04460	0.3
108.08111	0.3
108.08889	0.5
109.06499	19.0
109.10133	4.0
110.03633	0.7
110.06112	0.2
110.06809	0.5
110.10477	0.4
111.04424	7.1
111.08063	6.7
111.96868	1.1
111.98428	0.4
112.03965	0.5
112.04717	0.3
112.07661	0.3
112.08394	0.2
112.96655	0.4
115.05380	0.4
117.06990	0.7
119.06084	0.2
121.06496	0.5
123.08039	0.2
125.05964	3.8
125.06851	0.3
125.09605	1.7
126.05470	0.2
126.09121	0.7
129.97858	1.1
130.96321	0.2
130.97697	0.2
135.04378	0.7
135.08034	4.7
135.11671	3.0
136.03897	0.7
136.07545	1.9
138.06700	0.3
140.03436	0.5
148.97342	0.7
153.01860	1.0
153.05476	3.0
153.06528	0.5
153.09077	7.7
153.10150	0.5
153.12732	5.5
153.13927	0.5
154.04950	2.8
154.08493	1.3
154.12238	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0679
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.0
54.52294	0.1
54.98708	0.0
56.05024	0.1
56.21241	0.0
56.73931	0.0
56.96564	0.1
57.03441	0.1
65.03926	0.6
67.04246	0.1
67.05495	0.3
69.28856	0.5
69.29173	0.1
78.03432	0.1
79.05485	0.1
80.05002	0.1
84.08150	0.1
92.04986	2.8
93.05752	1.0
94.06567	0.3
96.04478	0.2
97.02847	0.1
97.39880	0.0
99.53348	0.0
100.02459	0.1
106.06535	0.1
107.07323	0.2
108.08118	0.2
109.05254	0.1
110.06023	6.6
111.06368	0.2
119.01894	0.1
120.04433	0.1
122.06004	1.5
123.06830	0.4
124.03909	0.2
124.07558	0.1
125.04696	0.6
127.02519	0.1
133.03442	0.1
134.06024	0.3
135.02943	0.1
135.05049	0.1
138.05466	0.8
140.04980	0.1
152.07030	100.0
153.04085	0.3
153.07373	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	152.0704
Annotation	Paracetamol
Peak:m/z	Relative Intensity
56.96542	0.6
57.03405	0.6
61.02903	0.3
65.03926	0.4
67.05505	0.4
70.47523	0.2
70.74043	0.6
84.08091	0.3
85.02878	0.6
86.47746	0.2
87.99524	0.2
91.02429	0.4
92.04993	2.8
93.05764	0.9
94.06561	0.3
96.04423	0.3
97.02854	0.4
98.97553	0.3
100.02460	0.4
110.03487	0.9
110.06030	5.5
110.97504	0.3
115.02405	0.7
117.03945	0.5
119.01916	1.2
122.05980	1.4
123.06783	0.2
125.04697	0.7
128.04536	0.3
129.03947	0.5
133.03427	1.0
134.06000	1.2
135.03009	1.4
135.04990	0.7
137.02959	0.4
138.05438	0.4
140.04964	0.6
143.01878	0.3
147.05003	0.4
149.03679	0.5
152.05696	10.7
152.07022	100.0
153.04068	2.6
153.07387	2.4
156.75845	0.3
161.02893	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0704
Annotation	Paracetamol
Peak:m/z	Relative Intensity
54.50323	0.2
55.01853	0.2
55.02964	0.3
56.96564	0.5
57.03408	0.5
61.02898	0.2
61.75186	0.2
65.03914	0.7
67.05493	0.5
70.06573	0.3
71.01054	0.5
71.01390	0.2
79.05470	0.4
80.98003	0.2
84.02397	0.4
84.08128	0.6
85.02888	0.4
91.02422	0.3
92.04997	2.7
93.05781	0.8
97.02909	0.2
98.97569	0.3
100.02473	0.3
106.06555	0.4
109.05109	1.0
110.03512	6.6
110.06022	5.1
111.04417	0.5
115.02435	0.4
119.01872	0.9
122.06059	1.2
123.06816	0.3
124.00504	0.2
124.01824	0.4
124.03870	0.3
124.07555	0.4
125.04694	0.3
125.06042	0.3
128.04541	3.3
128.98610	0.3
129.04030	0.2
129.54488	0.2
133.03452	0.5
134.03648	0.2
134.04610	0.7
134.06001	2.4
135.03006	10.5
138.05495	0.8
147.04996	0.4
152.05656	79.3
152.07028	100.0
153.04057	19.3
153.06015	1.2
153.07361	2.5
154.02467	0.4
154.04427	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0565
Annotation	Guanine
Peak:m/z	Relative Intensity
56.96529	0.4
57.03416	0.6
65.03908	0.3
67.05484	0.4
70.73095	0.5
71.01352	0.2
79.05467	0.3
81.59486	0.2
82.01414	0.3
82.02682	0.3
84.08108	0.5
85.02900	0.4
91.02454	0.4
92.04985	1.3
93.05786	0.6
97.02908	0.3
100.02428	0.5
101.00853	0.4
107.03577	0.4
109.03493	0.3
109.05118	1.5
110.03509	9.2
110.06013	3.9
111.04449	0.3
115.02407	0.9
118.03462	0.3
119.01894	0.8
121.03463	0.2
122.06013	1.1
123.06767	0.3
124.03917	0.2
125.04700	0.4
125.05929	0.2
127.44160	0.2
128.04533	4.0
129.03954	0.3
131.01894	0.2
132.05013	0.2
133.03488	1.3
134.04626	0.8
134.05969	1.4
135.03000	13.6
135.05045	0.5
136.01411	0.5
136.03352	0.3
138.05568	0.3
147.05003	0.8
149.03720	0.8
152.05659	100.0
152.07030	65.0
153.04047	25.3
153.05998	2.0
153.07381	1.8
154.02463	0.6
154.04440	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0679
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61130	0.8
65.26688	0.7
71.51658	0.7
71.52064	1.2
75.80001	0.8
92.04974	1.0
107.83706	0.8
110.06057	3.9
131.51112	0.8
134.05988	1.7
141.15797	0.8
152.06920	100.0
153.07330	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	151.1115
Annotation	(-)-Carvone
Peak:m/z	Relative Intensity
51.02384	1.5
53.03939	41.7
54.04262	1.1
55.01862	4.9
55.05505	6.0
57.03418	1.2
57.07063	1.0
59.04994	0.9
65.03933	2.1
67.05497	28.5
68.95272	0.7
69.03429	3.5
69.07060	29.6
71.04964	1.1
74.19582	0.6
79.05480	10.9
81.03407	100.0
81.07041	30.5
82.03740	1.7
82.07387	0.8
83.04971	9.1
89.06017	1.9
91.05466	12.3
93.07037	10.6
94.63734	0.7
95.04955	25.2
95.08598	10.6
96.04449	0.7
96.05302	0.8
98.21626	1.3
105.04566	0.7
105.06313	0.8
105.07018	14.5
106.06535	1.1
107.04929	1.3
107.08586	7.6
108.05703	0.9
109.06501	19.1
109.10130	6.5
119.04932	2.9
123.04372	1.9
123.08056	8.6
123.11697	4.2
124.03933	0.7
124.07563	1.7
124.08374	0.8
131.08598	0.7
133.06477	1.9
133.10118	9.1
134.06053	1.0
136.05223	0.8
151.02898	1.1
151.03889	5.6
151.04980	1.3
151.07527	15.6
151.08627	1.7
151.11168	23.1
152.01630	2.8
152.03351	0.8
152.07027	3.8
152.10602	0.9
152.11646	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1116
Annotation	Lyratal
Peak:m/z	Relative Intensity
51.28028	0.9
53.03936	6.1
55.01864	6.3
55.05503	66.6
56.05836	1.2
57.03432	10.4
57.07059	3.6
57.45021	0.8
59.04995	4.3
61.02898	1.8
65.03931	8.5
67.05494	43.9
68.05038	0.8
68.05814	1.3
68.96323	1.0
69.03143	0.8
69.03416	9.3
69.07057	5.5
69.84892	5.3
70.06570	2.0
71.04986	8.0
72.08122	1.3
73.55067	0.9
77.03905	0.9
79.05481	37.8
80.04988	1.4
80.05804	1.2
81.03400	4.8
81.07043	95.8
82.07375	3.7
83.04985	4.8
83.08607	1.2
84.08126	2.2
85.06523	2.0
89.06017	4.0
91.05466	83.0
92.05796	3.6
93.07028	67.0
94.07368	2.5
95.04951	30.4
95.08593	33.0
96.04479	1.9
96.08080	2.1
97.06509	12.8
103.05412	2.2
105.03356	2.3
105.04523	1.6
105.07014	100.0
106.06534	4.4
106.07289	2.0
106.11526	0.8
107.04920	2.7
107.08572	73.2
108.02074	4.7
108.05719	1.6
108.08891	2.8
109.06498	45.5
109.10136	34.0
110.06026	2.0
110.06684	1.1
111.04402	3.0
118.07762	1.4
119.04937	17.8
119.05786	1.7
121.06503	2.1
121.10130	3.7
123.04407	8.0
123.05288	1.1
123.06337	1.0
123.08051	21.1
123.11678	31.4
124.03920	2.0
124.07568	3.3
125.09673	1.1
131.08533	4.0
133.02882	1.6
133.06505	4.6
133.10106	73.5
134.05983	5.5
134.10425	3.6
136.01518	0.9
136.05148	3.3
136.08810	1.2
141.05463	4.5
151.02914	1.9
151.03917	39.9
151.05013	9.3
151.07527	35.0
151.08556	2.3
151.11153	94.9
152.01631	8.3
152.02718	1.0
152.03200	0.9
152.04370	1.9
152.05688	2.9
152.07040	17.2
152.08080	1.6
152.10513	2.0
152.11493	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	151.0751
Annotation	Tolylacetate
Peak:m/z	Relative Intensity
53.03915	2.9
53.58025	1.4
55.01854	6.8
55.05484	5.4
62.41627	1.5
65.03935	2.6
67.05493	25.9
69.03416	15.1
69.07028	2.3
71.04666	4.2
71.16866	1.5
71.85751	1.5
79.05476	12.0
81.03401	3.6
81.07046	32.3
89.06004	7.8
91.05457	16.8
93.07027	10.6
94.04164	2.2
95.04932	5.3
95.08591	60.7
98.78811	1.5
103.05463	3.1
105.04497	2.0
105.07010	35.7
107.04926	6.6
107.08543	2.7
108.05687	3.6
109.06496	84.7
110.06828	1.8
122.07334	1.6
123.08047	41.3
123.11623	2.4
124.07522	2.0
133.06465	14.9
133.10156	2.6
134.05959	2.6
151.02788	4.3
151.03969	3.4
151.07513	100.0
151.08533	4.6
151.11137	6.7
152.01578	2.2
152.07050	5.5
152.08081	2.0
152.10667	3.0
156.16376	1.5
157.38086	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	151.075
Annotation	Tolylacetate
Peak:m/z	Relative Intensity
53.03938	43.7
54.57418	1.0
55.01859	7.6
55.05503	9.0
57.03429	1.4
65.03922	3.4
67.05492	43.8
68.92299	1.0
69.03418	10.3
69.07056	31.7
71.04974	1.7
71.10541	1.8
71.10856	1.5
73.65974	1.2
77.03889	0.9
79.05478	19.1
80.04985	1.5
81.03401	100.0
81.07037	50.9
81.07432	0.8
82.03716	2.0
83.04962	10.4
89.06002	3.5
91.05463	20.7
93.07019	18.8
94.04189	1.2
95.04950	29.9
95.08588	37.6
96.08134	1.8
96.08919	1.3
100.07589	1.1
103.05489	1.4
105.06287	1.5
105.07008	30.4
106.06553	1.2
107.04942	3.5
107.08569	11.1
108.05708	3.4
109.06495	52.9
109.10124	10.2
110.06828	2.3
119.04902	3.0
121.06487	1.2
123.04385	1.7
123.08044	28.4
123.11678	5.6
124.07560	8.5
124.08315	1.4
133.06480	7.2
133.07434	1.2
133.10109	13.6
134.05952	2.0
151.02863	2.4
151.03882	7.4
151.05017	3.0
151.06253	2.7
151.07518	52.4
151.08607	3.2
151.11150	31.6
151.12340	2.0
152.01698	2.6
152.03391	1.4
152.06898	5.3
152.08057	1.8
163.06383	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.096
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
53.03937	3.7
53.83073	0.7
55.01869	5.1
55.05501	13.8
55.35971	0.7
56.05027	0.8
56.05824	0.7
57.03415	1.2
58.06578	1.5
61.42852	0.7
65.03931	25.7
65.04279	1.4
67.05501	5.5
69.03411	1.6
69.07040	1.2
70.06604	1.1
70.76485	2.2
71.04971	0.7
72.07806	0.8
72.08149	10.2
73.08466	1.7
78.57890	2.4
79.05480	17.0
80.05000	0.9
80.05810	1.2
81.03402	3.0
81.07035	6.9
83.08604	2.0
84.07655	0.8
84.08113	4.4
89.03908	4.9
91.05463	15.2
91.07010	0.7
92.05816	1.3
93.03391	6.2
93.06142	0.9
93.07025	19.4
94.06553	0.9
94.07342	1.0
95.04955	3.9
98.03665	1.4
98.09663	2.4
99.58411	1.3
100.07586	8.0
101.07906	1.0
103.05435	2.6
105.07014	5.2
105.08612	1.1
106.06552	0.8
107.04937	19.9
107.08583	4.3
108.04410	0.7
108.05273	0.8
111.04420	4.5
112.11229	1.8
116.06252	1.4
117.03356	3.0
119.08575	1.1
121.02842	36.4
121.03947	6.4
121.05645	1.0
121.06458	6.1
121.10124	5.9
122.03175	1.9
122.06014	1.3
123.07925	1.4
126.59424	1.1
129.06952	1.3
131.04895	1.6
131.08542	12.8
132.04408	0.8
134.03625	1.4
140.14325	1.5
149.02315	100.0
149.05966	8.5
149.09590	17.7
149.13174	1.1
150.02681	4.5
150.05437	3.5
150.07811	1.0
167.03391	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0959
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
51.63683	1.0
53.03940	6.9
53.20029	1.0
54.09780	1.1
55.01863	5.9
55.05502	34.0
56.05014	4.3
56.05829	1.6
57.07044	1.3
57.97570	1.4
58.06584	5.5
63.05798	2.7
65.03596	1.7
65.03928	26.3
67.05495	11.9
68.71735	1.2
69.03410	1.8
69.07036	4.0
69.42442	6.0
69.42863	3.8
70.06574	3.2
72.04506	1.8
72.08143	39.0
73.08467	2.1
78.40864	1.1
78.57902	9.5
79.05046	1.9
79.05473	21.1
81.03413	8.9
81.07043	7.0
83.08600	5.7
84.08128	22.0
86.07877	3.5
89.03893	4.1
91.05460	21.6
91.07058	2.1
91.81875	1.1
92.05779	1.2
93.03378	8.1
93.07023	28.4
95.04961	8.4
98.03652	2.5
98.09686	12.0
99.58400	8.6
100.06975	1.5
100.07599	26.5
103.05450	7.6
105.07007	30.9
105.08599	4.7
105.58750	1.4
106.07236	1.7
106.07857	2.0
107.04950	10.0
107.08579	13.7
108.04477	4.4
109.06502	7.0
109.10136	3.3
111.04449	6.1
112.11192	6.6
116.06223	2.0
117.03335	3.3
119.08604	5.8
119.11981	1.4
121.01093	2.3
121.02843	39.2
121.03946	9.1
121.05584	1.9
121.06482	15.5
121.09290	2.2
121.10117	29.6
122.03170	2.2
122.05980	2.3
123.08022	7.5
124.53165	1.2
125.10731	2.0
127.08669	1.4
129.13846	1.3
131.04884	3.8
131.08551	8.7
133.07593	3.3
134.03606	1.5
138.12679	1.5
139.12207	1.4
140.12517	1.7
140.14334	6.9
149.02318	100.0
149.04881	2.4
149.05957	12.3
149.07072	2.1
149.08363	2.4
149.09593	45.3
149.13263	5.1
150.02679	6.0
150.05482	5.9
150.07657	2.2
150.08978	2.0
150.10052	1.5
152.14304	1.5
154.12244	2.2
159.60172	1.1
167.03394	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	146.0809
Annotation	cis-5-Hydroxypipecolic acid
Peak:m/z	Relative Intensity
50.22118	0.6
50.78789	0.6
54.02181	0.6
55.05504	25.4
56.05019	7.9
69.65359	3.4
69.65768	1.3
70.06591	0.7
72.91283	0.8
74.02429	12.2
80.05033	1.0
82.06568	100.0
83.06907	1.1
87.04434	0.9
100.07603	77.2
101.07943	1.0
128.07059	24.4
137.83110	0.8
146.08101	67.5
147.08434	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	149.0595
Annotation	3-Isochromanone
Peak:m/z	Relative Intensity
51.02359	1.3
53.03932	11.3
55.01862	9.5
55.05500	37.8
56.05017	3.5
56.05828	1.7
57.07043	1.4
58.06575	4.8
58.08178	1.0
61.01139	1.5
63.05778	1.3
65.03924	22.8
67.05488	11.9
68.99759	1.6
69.03407	3.1
69.07055	5.3
69.73295	1.3
70.03727	4.4
70.06576	4.7
72.02610	1.0
72.04498	3.9
72.08138	38.2
73.06518	1.3
73.08441	2.0
75.28614	1.0
77.03893	2.7
78.03772	2.0
78.04687	2.3
78.57893	10.9
79.05477	13.6
80.05000	1.6
81.03396	3.7
81.07047	9.0
82.06548	2.2
83.08594	6.7
83.50010	1.0
84.08128	20.0
84.14413	1.0
85.02917	1.0
85.08466	1.2
86.07873	5.4
89.03889	11.4
90.61607	1.0
91.05460	43.5
91.07049	2.2
92.07847	4.5
93.03379	6.4
93.07022	69.0
94.06541	1.8
94.07357	3.3
95.04948	15.6
96.08152	1.9
98.03655	2.1
98.09680	9.5
99.58372	5.9
100.07592	28.9
101.07934	2.4
102.03722	3.0
103.03949	1.4
103.05439	16.1
105.03336	1.6
105.04491	3.4
105.06985	7.3
105.08616	4.3
106.04174	2.9
107.04931	10.0
107.08570	11.8
108.04461	2.9
108.08918	1.2
109.06482	2.0
109.10130	5.2
110.09681	1.8
111.04420	4.6
112.09371	1.1
112.11225	6.1
114.09127	1.4
117.03369	5.5
119.04884	1.8
119.11991	1.2
121.02837	34.6
121.03948	7.3
121.06474	56.1
121.10130	9.3
122.05981	1.4
122.06776	2.1
123.07961	2.2
123.83682	1.0
124.11214	1.3
125.10759	2.2
126.12735	1.5
126.59426	2.5
127.08631	1.2
129.13840	1.9
131.04930	3.4
131.08540	6.1
133.10074	1.3
134.03577	2.9
139.12268	3.4
140.12526	1.1
140.14331	6.6
149.02313	100.0
149.05957	62.5
149.09601	15.3
149.13208	3.2
150.02644	4.2
150.03691	1.5
150.05473	5.0
150.06555	1.5
150.07707	2.4
154.12228	2.1
155.11783	1.3
168.13844	1.9
169.03435	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	142.0348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71076	2.5
52.93580	2.6
55.38018	2.5
56.96541	3.9
57.03418	2.8
70.06561	3.9
70.38033	7.5
81.04527	2.9
93.35365	2.8
98.21377	3.9
101.00853	19.3
119.01900	100.0
124.08689	4.9
125.02277	4.0
137.02937	32.8
142.03470	31.0
142.08617	7.8
143.03433	13.8
160.04510	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	142.0862
Annotation	Arecaidine
Peak:m/z	Relative Intensity
55.01863	1.6
55.05497	1.5
56.05023	2.0
57.81194	0.5
59.93128	0.6
60.04501	0.7
67.05505	0.8
68.05015	1.4
69.03426	4.2
69.07066	1.0
70.06581	2.1
70.75233	1.5
71.04984	26.3
72.04506	10.0
72.05320	0.7
72.08159	0.6
77.15320	0.5
79.05482	11.5
81.04537	1.2
81.07058	0.6
82.02934	1.4
82.06566	2.0
83.01333	0.6
84.08130	2.9
86.06060	0.7
94.06545	0.7
95.04982	0.6
96.04482	1.8
96.08128	5.5
97.02887	4.4
97.06512	1.5
98.06062	0.8
100.07596	1.2
101.00851	0.5
106.06538	31.9
107.06872	1.4
107.61868	0.5
114.05481	0.6
114.09163	4.0
118.96735	2.0
119.01878	1.3
121.16243	0.6
124.07571	100.0
125.02336	8.4
125.05991	1.0
125.07131	0.6
125.07910	3.5
137.02930	0.9
142.04979	2.4
142.08614	28.2
142.09581	1.0
143.03372	39.0
143.09012	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.081
Annotation	cis-5-Hydroxypipecolic acid
Peak:m/z	Relative Intensity
51.22977	0.3
52.95979	0.3
53.03934	0.5
55.05501	23.8
56.05025	6.7
56.05836	0.6
56.86903	0.4
58.06587	0.9
67.04729	0.3
69.19189	0.3
70.03523	1.5
70.06577	1.2
74.02427	12.7
77.52091	0.3
78.02818	0.3
80.04990	0.8
82.06564	100.0
83.06895	3.1
84.04478	0.7
84.08134	1.4
100.07599	73.8
101.07934	1.5
110.06039	0.7
128.07056	26.1
129.07382	0.9
146.08092	68.7
147.08447	2.2
160.87123	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.22589	3.1
70.94639	8.7
89.92154	2.6
101.00837	23.5
104.23988	3.0
109.31934	2.7
119.01897	100.0
120.01989	4.3
121.61424	2.8
124.02469	2.7
137.02921	30.3
142.03458	38.7
143.03665	3.6
160.04532	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	142.0347
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76227	1.6
54.81005	1.5
55.01855	3.3
55.05494	7.1
56.05015	4.2
56.96554	2.3
58.06569	1.7
58.25774	1.5
61.02902	2.1
65.61016	1.5
68.05003	4.3
69.03409	4.1
69.07050	5.9
70.06576	15.7
71.52388	2.5
73.02908	2.5
81.03424	3.3
81.04528	31.6
82.06573	4.0
84.08120	9.2
86.09667	2.2
92.52722	1.9
95.06066	13.8
96.08112	43.5
97.02856	3.3
97.03971	2.0
97.07646	13.2
97.08202	2.2
100.02466	4.7
101.00845	20.3
102.02298	3.2
114.09138	12.3
118.03537	5.1
118.96716	1.9
119.01900	100.0
120.02000	5.5
120.03330	3.0
122.53697	3.4
124.02405	2.6
124.08682	9.0
125.02383	3.4
125.07076	15.3
130.55177	1.8
131.01866	2.2
133.03430	2.3
137.01999	1.2
137.02922	35.8
142.03482	32.2
142.04976	3.6
142.08615	41.4
142.09708	3.7
142.12192	2.4
143.03358	26.1
143.08119	20.1
143.09096	2.7
151.71753	1.6
160.04512	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	141.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84081	10.6
69.45324	100.0
77.61746	12.0
81.04520	37.3
82.05275	13.2
82.14419	11.0
88.99471	12.5
95.06068	32.0
100.02459	13.0
111.05564	54.5
117.99010	18.2
118.03554	16.5
119.01894	61.4
123.05515	46.4
136.00085	23.9
137.02936	34.6
141.06555	50.8
142.03484	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	139.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79557	0.9
53.03914	0.8
54.03456	1.1
55.05500	47.2
56.05021	7.1
57.02166	1.7
57.04548	12.0
57.07062	11.6
58.02950	35.1
58.06583	2.1
59.06095	1.9
63.92085	0.9
65.03910	1.4
66.03442	2.8
67.05488	1.4
68.05018	2.0
69.03410	2.5
69.04529	1.8
69.07054	34.8
69.99301	0.9
70.06569	2.3
70.07394	0.8
71.06102	5.4
72.04486	1.3
72.08125	2.8
77.25415	0.7
79.05446	0.9
80.05006	1.3
81.04519	5.6
81.07037	2.4
82.02937	1.6
82.05296	0.9
82.06550	1.0
83.04956	1.9
83.06083	2.0
83.08602	69.8
84.08141	1.9
84.08924	1.5
85.07646	1.0
93.04512	3.2
93.07052	0.9
94.06538	2.5
95.06067	5.3
96.04506	1.5
96.05588	1.1
96.08116	1.2
97.06464	3.0
97.07650	5.4
97.10146	13.6
98.04802	5.0
98.07159	100.0
98.09689	1.5
98.98440	3.3
99.05558	35.5
99.09167	1.2
100.41686	0.8
107.06073	7.6
111.04400	4.5
111.07956	1.3
111.09198	1.2
112.03938	2.0
112.05021	1.1
112.07579	2.3
112.08676	2.3
121.03953	18.1
121.10139	1.2
122.06162	1.9
122.07124	57.0
122.09630	1.2
123.05508	1.0
139.03976	1.4
139.05002	7.9
139.06096	3.4
139.07553	1.4
139.08627	12.7
139.09749	11.2
139.11092	3.0
139.12247	3.5
140.03441	4.3
140.05803	3.0
140.07066	5.2
140.08144	58.1
140.10641	7.0
140.11787	5.6
148.01244	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0595
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03944	0.9
55.01845	0.4
59.28432	0.4
65.03922	1.0
66.04704	2.2
69.39927	3.8
79.05473	1.7
80.05833	0.3
81.07028	1.2
87.85499	0.5
91.05459	1.9
94.04176	21.5
94.44730	0.4
95.04470	0.8
95.05000	0.8
107.04963	0.8
109.06467	0.6
111.04395	0.6
122.03632	41.9
123.03986	1.2
135.04378	0.4
137.05959	100.0
138.06300	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	138.0548
Annotation	Trigonelline
Peak:m/z	Relative Intensity
53.03929	0.5
65.03913	0.6
67.05481	0.4
67.07191	0.1
70.02682	0.9
78.03449	0.2
81.81855	0.2
91.05514	0.2
92.04988	3.3
93.05779	0.5
93.07005	0.2
94.06552	11.7
95.06866	0.4
96.04482	1.4
100.61026	0.2
103.05440	0.2
110.06023	8.4
111.06355	0.2
120.10225	0.2
121.06480	1.5
138.05476	100.0
139.05832	3.9
140.31453	0.2
141.50304	0.2
154.04932	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.6
53.03931	2.4
55.01867	5.0
55.05251	0.9
55.05500	10.6
56.05018	2.3
56.96555	32.3
57.03432	1.0
57.93551	4.5
58.06578	0.9
59.05001	0.7
65.03928	43.7
66.04252	1.0
67.05495	6.5
68.02645	1.5
68.05009	1.4
68.99780	10.2
69.03419	15.2
69.04523	0.6
69.07058	4.7
69.80743	3.4
70.06584	4.4
71.01345	0.8
71.95249	2.5
72.08143	2.7
74.97610	0.6
75.41662	0.6
79.01851	1.5
79.05476	4.7
80.05015	1.2
81.03403	7.2
81.04515	1.7
81.07038	2.7
81.78947	0.5
82.06567	1.2
83.01349	0.9
83.04473	1.0
83.04967	16.7
83.06075	0.8
83.07353	0.7
83.08582	0.6
84.04504	1.4
84.08141	4.8
85.07646	0.7
91.05479	3.3
93.03386	7.0
93.04510	1.3
93.07027	10.1
94.06557	9.3
95.04955	15.9
95.06050	1.3
95.06870	1.0
95.08584	4.0
96.02097	2.7
96.04475	1.4
96.08131	1.0
97.02882	4.1
97.06513	6.4
97.07632	0.8
98.06062	1.1
98.07167	1.3
98.97565	30.5
98.98444	9.4
98.99028	1.0
100.07597	1.2
103.05461	1.1
105.04494	0.8
105.06985	0.8
110.03603	1.0
110.09618	0.7
111.00819	1.0
111.04422	100.0
111.06390	1.7
111.08066	3.6
111.09203	0.6
111.09979	1.7
112.03946	11.7
112.04761	4.4
112.07608	4.0
113.07095	0.8
116.97261	12.6
116.98594	46.6
121.02847	13.9
121.03956	8.6
121.04772	0.8
121.06468	2.5
121.10142	3.3
122.02375	1.1
122.05998	5.6
122.06885	2.3
123.00763	0.7
123.05499	1.1
125.02323	3.0
128.03407	1.1
131.04976	0.7
134.99634	66.7
137.02399	0.5
138.05486	3.5
138.22729	0.5
139.01553	0.8
139.03880	26.0
139.04971	4.4
139.05867	8.9
139.07513	6.5
139.08635	11.5
139.09528	4.0
139.11156	11.6
139.12268	3.9
139.98727	1.1
140.00159	1.6
140.03403	16.7
140.04549	2.1
140.07037	8.0
140.08168	2.7
140.10663	3.9
140.14305	0.9
148.96170	1.2
153.00688	19.1
156.02840	1.3
158.01233	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	136.0616
Annotation	Adenine
Peak:m/z	Relative Intensity
53.01416	0.0
53.37661	0.0
55.02979	0.0
60.92614	0.0
62.68550	0.0
66.02204	0.0
67.02954	0.2
69.06932	0.0
69.27406	0.2
69.27812	0.1
82.04073	0.1
91.05487	0.2
92.02473	0.2
94.04035	2.4
95.04414	0.0
100.02438	0.0
101.00924	0.0
109.05110	0.4
112.05039	0.2
119.03526	6.0
120.01947	0.0
120.03889	0.1
131.01723	0.0
136.06154	100.0
136.29073	0.0
137.04570	4.1
137.05635	0.2
137.06599	2.3
138.05034	0.1
149.29765	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	136.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05033	0.6
51.02376	0.7
53.03936	5.5
55.01842	0.8
55.05501	3.5
57.07057	1.4
58.06586	0.4
65.03924	2.5
66.04700	1.1
66.21617	0.5
67.01832	0.5
67.05496	4.5
67.38137	0.4
68.05016	0.6
69.03415	0.9
70.02905	0.4
71.07355	1.5
71.09695	0.7
71.10009	0.6
72.08127	2.5
77.03899	1.2
78.04703	0.6
79.05470	3.5
80.04998	1.8
80.05830	1.1
81.03400	0.9
81.07037	6.5
84.08125	1.8
90.04170	0.5
91.05466	20.0
92.05806	1.5
93.05797	3.1
93.07026	12.5
94.04150	10.3
94.06581	1.0
94.07340	1.5
95.04948	10.0
95.08588	5.9
100.07604	4.9
105.04515	2.8
107.04952	1.2
108.04464	2.4
108.05190	0.6
108.08099	5.4
108.08905	2.7
109.01064	1.3
109.06488	3.5
109.10140	2.5
110.06026	0.6
112.11223	0.9
114.12770	0.6
118.06524	1.3
119.03539	4.4
119.04926	1.7
119.08543	1.1
121.06498	0.7
122.03627	19.4
122.07198	1.2
126.05503	4.8
126.12772	0.8
135.04366	0.6
136.02145	35.3
136.04045	2.4
136.06166	100.0
136.07545	67.2
136.08365	2.1
136.11096	1.1
136.12053	1.4
137.02440	3.2
137.04610	3.5
137.05934	52.7
137.07904	2.9
137.09563	6.5
137.13232	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	137.0595
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03927	1.1
55.01834	1.2
55.05489	0.7
57.07059	0.6
65.03914	1.1
66.04704	2.5
67.05493	2.9
67.93536	0.5
68.05003	1.9
69.03078	0.7
69.03416	8.9
70.25697	1.1
70.26100	0.7
79.05483	3.7
80.01908	0.5
80.04978	0.8
81.07039	5.5
82.06573	2.9
83.04978	0.4
91.05070	0.4
91.05474	4.4
92.14506	0.4
93.07003	2.6
94.04173	24.0
94.06554	0.6
95.04945	1.9
95.08586	4.5
96.04476	32.2
97.02872	2.3
107.04943	2.1
107.05549	0.5
109.06522	2.7
109.10103	0.8
110.06029	3.9
118.26022	0.4
119.03341	0.4
119.04926	0.5
119.08518	0.6
120.04433	1.4
121.06454	0.5
122.03629	41.7
123.03925	1.7
137.02502	4.5
137.05937	100.0
137.09540	2.8
137.10602	1.0
137.13150	0.5
138.01691	1.5
138.05447	20.5
138.06348	3.3
138.09099	3.6
140.95094	0.9
145.82373	0.4
148.28412	0.5
155.26413	0.4
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
51.81469	0.4
53.03934	0.7
56.94278	0.4
65.03904	0.4
66.04713	2.0
67.05482	1.3
71.21396	0.6
71.21741	0.7
77.03905	0.4
77.41552	0.4
79.05489	3.3
81.03404	0.5
81.07043	2.4
84.74257	0.3
91.05476	3.9
92.05827	0.4
93.07016	1.7
94.04172	20.7
95.04443	0.7
95.04964	1.1
95.08593	1.5
105.03406	0.4
107.04927	1.2
109.06499	1.8
109.10139	0.5
110.06022	0.7
115.08530	0.4
117.61399	0.4
119.04935	1.0
119.06070	0.4
122.03630	40.7
123.03976	1.4
137.02399	1.2
137.05949	100.0
137.09482	1.8
137.13182	0.4
138.05450	3.7
138.06303	3.8
138.09126	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	135.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.2
55.01856	0.9
55.05229	0.6
55.05498	9.1
57.07065	0.8
57.26368	0.4
65.03923	0.9
66.14510	0.4
67.05489	1.9
69.03410	0.6
69.07051	2.2
71.07351	0.8
71.52264	0.8
72.04518	0.6
72.08136	2.0
77.03898	0.6
79.05481	14.3
79.72259	0.4
80.05012	0.8
81.07034	2.2
84.08123	1.4
86.07878	1.1
91.05464	26.5
92.05775	0.7
93.07028	45.3
93.41522	0.6
94.04025	1.4
94.07352	1.3
95.04940	5.1
95.08560	0.9
100.07595	3.6
105.04495	1.4
105.07014	12.6
107.04929	3.7
107.08573	100.0
108.04487	0.5
108.08885	2.5
109.01079	0.7
109.06505	5.3
115.05476	1.2
117.06973	2.8
119.03542	2.5
119.06084	2.3
119.08564	9.4
120.09357	2.3
132.00725	0.5
133.10057	1.0
135.04379	4.4
135.05446	1.1
135.08040	8.2
135.11668	29.7
136.01083	1.0
136.02147	20.1
136.03909	1.7
136.06157	47.1
136.07513	4.3
136.12015	1.6
137.04549	1.7
137.09558	0.9
153.82382	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1166
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.38230	0.6
53.03937	2.7
55.05499	7.3
65.03925	1.3
67.05490	2.3
69.07053	2.2
69.68776	0.9
69.69182	3.3
71.07349	0.7
72.08155	1.4
79.05047	1.2
79.05478	14.6
80.04978	0.7
81.03401	0.7
81.07033	2.6
82.54948	0.6
84.08116	0.9
91.05468	27.2
91.12201	0.6
93.07028	47.5
94.04023	0.8
94.07347	1.6
95.04961	3.8
96.92378	0.7
98.21465	1.3
100.07600	2.9
105.04494	1.4
105.07018	12.7
107.04942	2.7
107.08576	100.0
108.08200	1.1
108.08873	4.2
109.06480	5.5
115.05425	0.7
117.07015	1.3
119.03529	1.9
119.06057	2.2
119.08550	7.3
120.09356	1.8
126.12819	0.6
133.10152	1.0
135.04449	3.1
135.05367	0.8
135.08052	5.1
135.11668	28.8
136.02142	20.0
136.03841	1.2
136.06163	41.4
136.07526	4.9
136.12030	1.7
137.04526	1.6
137.73726	0.7
140.14220	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1166
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03928	3.3
55.01865	1.6
55.05504	10.6
57.07084	0.6
65.03917	2.7
67.05486	2.9
67.23306	0.4
69.03423	1.5
69.07050	3.5
69.61885	2.8
69.62297	1.1
71.07364	1.6
72.08154	2.5
75.79884	0.6
77.03917	0.8
79.05480	21.4
80.04962	0.5
81.03381	0.9
81.07035	3.0
84.08126	2.1
86.07870	0.8
87.76115	0.5
91.05465	36.5
92.05780	1.1
92.07877	1.1
93.05781	1.7
93.07025	56.8
94.04053	1.3
94.06526	0.8
94.07364	1.5
94.07867	0.8
95.04952	7.5
100.07593	4.7
105.04503	1.5
105.07007	14.1
107.04921	4.7
107.08573	100.0
108.04446	1.1
108.08083	2.1
108.08915	3.8
109.01098	1.3
109.06511	5.2
112.11211	1.3
114.12759	1.0
115.05406	3.5
117.06991	3.0
119.03519	2.9
119.06055	2.1
119.08560	7.3
120.09350	1.7
126.05527	0.8
130.41722	0.6
132.37270	0.5
133.10149	0.8
135.04385	7.9
135.05496	1.9
135.08034	14.9
135.09052	0.7
135.11664	31.4
136.02142	35.6
136.03920	1.7
136.06165	74.3
136.07539	19.1
136.11996	1.3
137.04532	3.0
137.09671	0.8
154.60585	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0803
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
50.05013	0.8
53.03932	2.1
55.01865	5.0
55.05502	5.9
56.96561	0.4
57.07073	0.6
58.06581	0.8
65.03926	2.3
67.05479	3.3
69.03413	5.6
69.07049	1.1
69.56380	2.7
70.06560	0.9
71.07352	1.7
72.04507	0.6
72.08137	3.8
73.86758	0.4
77.03928	0.7
79.05476	23.0
80.05002	0.7
80.05811	0.9
81.07036	1.2
84.08129	2.4
86.03230	0.4
86.07880	2.0
91.05460	34.7
92.05774	0.7
92.06278	0.7
92.07869	1.2
93.05761	1.8
93.07024	17.3
94.04018	1.4
94.06513	0.5
95.04953	3.4
98.09657	0.5
98.21512	0.4
100.07590	6.8
105.04514	0.9
105.07015	13.3
106.07317	0.5
107.04940	7.1
107.08569	41.6
108.04443	1.0
108.08131	0.8
108.08896	1.5
109.01086	1.4
109.06488	7.5
112.11210	1.4
114.12749	1.5
115.05440	9.2
117.06987	8.5
118.06510	1.1
118.07333	0.5
119.03530	4.1
119.06041	2.8
119.08564	2.1
120.05682	0.5
120.09343	0.8
124.05193	0.6
126.12767	1.7
135.04388	6.4
135.05478	2.0
135.08029	26.7
135.09035	1.2
135.11664	9.6
136.02136	47.9
136.03754	3.5
136.06152	100.0
136.07486	7.8
136.11121	1.2
137.04539	4.2
140.14359	0.7
154.12199	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.101
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03939	3.7
55.05489	2.4
59.04951	0.5
69.03413	0.9
70.06564	1.0
71.04964	2.1
71.51920	0.9
74.02416	1.3
74.65606	0.5
77.03890	0.6
79.05479	4.4
84.08128	0.6
88.02192	2.3
88.07615	0.6
91.05466	14.5
93.07027	2.9
95.04968	1.3
97.02856	0.9
103.05460	3.0
105.07013	46.7
106.06619	0.7
106.07342	2.2
107.08585	0.8
115.05451	3.7
116.06220	0.8
117.06980	4.5
118.07782	4.9
123.07973	0.6
129.75104	0.5
131.08554	6.2
133.02800	1.2
133.06587	3.8
133.10104	100.0
134.05975	1.3
134.07051	1.4
134.09561	0.8
134.10445	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	134.0448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.7
55.01850	6.3
55.05482	2.8
56.96547	6.4
57.03428	67.4
58.99856	3.3
59.52189	3.2
61.02926	20.3
65.52168	4.3
69.03416	18.6
69.25227	27.6
71.01347	2.9
72.52952	9.9
73.02909	23.2
77.00918	3.7
77.52166	6.1
78.52945	17.2
79.51913	3.5
80.52689	5.6
81.03390	11.0
82.01430	11.9
83.19907	2.8
85.02901	10.4
85.53711	5.6
86.52682	62.2
87.02751	7.4
88.02663	24.1
92.52698	6.5
93.01862	7.5
93.53455	9.6
94.03516	3.0
94.54227	4.2
95.53206	43.1
96.03271	5.1
97.03188	8.6
98.97572	3.7
99.04438	4.5
99.53430	13.9
100.02468	51.6
100.52415	2.9
101.00862	38.6
101.02520	6.8
101.53189	8.1
102.00924	5.0
102.02388	22.2
102.52464	4.9
103.02441	4.5
104.52659	3.9
105.00339	4.0
105.53400	2.9
108.53959	6.1
109.02840	4.5
110.03077	2.9
110.53696	3.5
110.54442	4.6
111.02910	25.9
111.52971	5.1
113.00829	7.4
113.53178	7.1
115.02414	20.8
118.03495	32.7
119.01907	94.2
119.03693	3.3
120.02024	11.4
120.03374	4.5
121.01595	11.2
122.53683	10.2
123.03872	3.1
124.02448	15.4
125.00845	3.3
128.01891	3.7
131.01892	56.7
132.01982	6.4
133.03419	16.0
134.99637	2.8
136.02377	3.7
137.02928	14.4
140.46222	2.5
141.02724	3.7
142.03479	100.0
143.01871	29.1
143.03610	17.1
144.03203	5.7
145.03450	7.5
147.01276	3.7
147.05069	3.0
149.02937	7.6
154.03461	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.101
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03934	1.6
55.01877	0.3
55.05500	1.6
64.99614	0.3
67.05491	0.7
69.39036	2.5
70.06586	0.4
70.20380	0.3
71.04981	0.9
74.02394	0.5
75.58685	0.3
79.05473	3.3
81.04451	0.3
85.08467	0.4
87.10018	0.5
88.02197	1.1
91.05464	12.7
92.05777	0.4
93.07027	4.0
95.04956	0.9
97.02877	0.4
103.05452	1.8
105.07009	37.5
106.06618	0.3
106.07325	1.5
107.08567	0.8
112.02153	0.4
113.02944	0.3
115.05441	3.6
116.06220	0.8
117.06994	4.5
118.07788	5.8
123.07900	0.6
129.06998	0.3
131.08531	4.8
133.02866	0.8
133.06609	2.6
133.10104	100.0
134.06006	1.1
134.09537	0.4
134.10445	4.8
144.04811	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.101
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03939	6.3
55.01850	1.0
55.05494	2.1
56.05014	0.5
67.05501	0.7
69.03417	1.7
70.06562	0.8
71.04986	5.2
71.53053	0.7
72.08121	0.6
73.02892	0.7
74.02431	2.0
75.06329	0.5
77.03907	1.2
79.05482	6.1
81.04569	0.5
84.08142	0.9
85.08444	1.2
87.10026	0.7
88.02212	3.9
88.07638	0.9
91.04889	1.1
91.05466	21.2
93.07023	4.6
95.04948	1.7
97.02862	1.0
103.05447	4.7
105.03364	0.6
105.07010	65.9
106.06564	0.7
106.07340	2.7
112.02182	1.1
115.05440	4.1
116.06239	0.6
117.06995	5.1
118.07763	5.6
119.08147	0.5
123.07936	1.9
124.69539	0.5
126.83289	0.5
130.12535	0.5
131.08539	7.1
133.02843	2.0
133.06488	10.9
133.10104	100.0
134.06007	1.9
134.09532	0.9
134.10429	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	133.101
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
50.90960	0.4
53.03930	1.1
55.05490	1.8
58.83027	0.4
60.24551	0.4
65.03917	0.5
67.05489	0.6
70.96835	0.9
70.97186	0.6
71.04976	0.9
72.08137	0.7
79.05485	3.7
88.02226	0.5
91.05465	13.6
93.07020	3.8
95.04941	0.7
103.05446	2.1
105.07011	35.0
106.07353	1.2
107.08533	0.9
115.05429	3.4
116.06216	1.0
117.06989	3.9
118.07784	5.7
131.08546	5.3
133.06444	1.6
133.10106	100.0
134.06020	0.5
134.10432	5.9
147.72066	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1009
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03927	1.6
55.05508	1.5
58.41325	1.2
66.67976	1.2
69.99792	2.9
70.00176	2.9
70.58922	1.2
71.04969	1.0
72.53184	1.1
74.02417	2.6
79.05465	5.1
85.08449	2.1
87.10013	2.1
87.99458	1.3
88.02208	7.8
88.03948	2.2
88.07592	2.5
91.05457	14.4
93.07022	3.4
103.05437	2.7
105.07005	43.1
106.06523	2.7
106.07323	2.7
115.05436	4.2
116.06232	1.4
117.07030	3.4
117.25316	1.3
118.07774	4.2
131.08539	6.5
133.06474	3.2
133.07578	9.2
133.10101	100.0
134.06027	3.6
134.07051	2.1
134.09581	2.8
134.10463	4.7
154.50719	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.101
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03932	2.7
55.05493	1.8
65.03918	0.6
70.06562	1.0
71.04974	1.5
74.02408	1.6
75.05074	0.6
79.05479	4.2
85.08421	0.7
87.09974	0.6
88.02197	1.7
88.03963	1.0
91.05470	13.7
93.07036	3.8
93.51207	0.6
95.04960	1.4
97.02846	0.7
98.20753	1.1
103.05427	1.8
105.07014	48.5
106.07331	2.0
111.97788	0.7
112.02155	1.2
115.05441	2.6
117.06999	4.5
118.07780	4.7
119.08110	0.7
123.07983	1.5
131.08546	4.6
133.02840	0.8
133.06523	5.6
133.10107	100.0
134.03740	0.6
134.05948	1.6
134.06911	0.8
134.10454	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	130.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	2.0
56.22007	0.2
67.05502	0.3
70.85132	0.5
84.04503	0.7
84.08128	100.0
85.08457	3.6
112.07573	1.3
130.08617	23.7
131.09000	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0646
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.02369	0.4
53.03933	3.9
55.01854	1.6
55.05501	1.5
65.03919	0.3
67.05503	0.5
69.03420	0.6
70.06564	0.8
71.04976	2.4
71.53197	0.5
74.02421	0.6
77.03910	1.1
79.05476	15.1
80.05807	0.6
85.08440	0.6
86.56818	0.3
87.02664	0.3
87.10013	0.6
88.02230	1.4
88.03981	0.3
88.07578	0.3
91.05455	8.2
93.07030	1.3
95.04945	3.6
97.02885	0.7
103.05443	8.6
103.98365	0.3
105.04507	0.9
105.07008	66.1
106.06701	0.3
106.07349	2.3
112.02222	0.4
113.23804	0.3
115.05435	3.5
117.06969	1.7
118.04144	1.1
118.07806	2.8
123.07946	0.9
131.08540	2.7
133.06465	100.0
133.10097	40.1
134.05952	0.9
134.06828	4.1
134.09557	0.5
134.10422	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	133.101
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03942	2.1
55.01854	0.5
55.05499	1.9
65.03935	0.3
67.05491	0.4
70.04459	1.1
71.04980	1.0
74.02454	0.3
76.40186	0.3
77.03899	0.5
79.05476	4.2
88.02194	0.8
91.05464	12.0
92.05807	0.6
93.07032	2.9
95.04963	1.2
103.05457	1.9
105.03370	0.8
105.07015	41.2
106.06686	0.3
106.07343	1.8
107.08601	0.9
115.05424	3.7
116.06234	0.4
117.07004	4.2
118.07802	5.2
122.31411	0.3
123.07922	0.5
131.08554	5.6
133.02815	1.6
133.06494	5.6
133.10107	100.0
134.05966	0.7
134.06918	0.3
134.10445	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	128.0706
Annotation	L-Baikiain
Peak:m/z	Relative Intensity
53.03926	1.6
55.05501	63.6
56.05019	4.4
56.05831	1.1
57.26366	0.8
60.45741	0.9
70.06570	3.0
70.88844	2.9
72.08122	1.6
74.02027	1.9
74.02428	22.8
76.67470	0.9
80.05006	2.2
82.06564	100.0
83.06892	2.9
83.07337	1.3
84.08125	6.2
93.53457	0.9
100.02458	1.9
100.07602	8.9
100.09570	1.0
101.02468	0.9
106.02830	1.3
110.06055	2.4
113.18818	0.9
119.01941	0.9
123.02131	0.9
128.07053	36.3
128.11795	1.5
129.07422	1.3
138.23549	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	128.0707
Annotation	L-Baikiain
Peak:m/z	Relative Intensity
53.03931	2.8
55.05505	63.5
56.05027	5.1
60.08144	3.2
70.02482	8.6
70.02882	4.6
70.06583	2.6
72.33050	2.8
74.02440	24.3
82.06570	100.0
83.06090	4.5
84.08125	15.4
89.77354	2.9
93.53458	9.9
94.03522	3.1
100.02448	3.0
100.07600	10.9
102.53963	6.6
109.58121	2.5
111.09201	4.3
117.31834	2.4
118.03546	3.6
121.01698	2.9
128.07065	40.8
128.11797	4.3
128.14310	8.8
129.46538	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	130.0862
Annotation	DL-Pipecolinic acid
Peak:m/z	Relative Intensity
50.42477	0.1
55.05497	0.2
56.04746	0.1
56.05027	2.2
67.05494	0.2
69.03403	0.1
71.53114	0.1
71.90182	0.1
72.81434	0.1
84.08131	100.0
85.07904	0.1
85.08458	1.5
112.07579	0.2
130.08620	23.7
131.08968	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	126.0218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80749	0.2
53.03951	0.9
55.01876	0.8
55.05507	0.5
56.96568	0.4
59.53915	0.3
60.99627	0.5
61.62534	0.3
62.00422	0.4
68.05025	0.3
70.06580	0.3
70.22527	0.7
70.22937	0.5
71.05006	0.7
78.52955	0.4
79.00687	0.3
80.05020	0.8
81.03413	3.0
82.01398	0.5
84.01206	0.3
84.93867	0.3
84.96059	0.3
84.99615	1.0
85.01537	0.4
87.53458	0.4
94.52387	0.3
99.04427	0.4
100.02477	1.5
102.00957	0.4
102.02220	4.2
102.02851	0.4
102.94748	0.2
103.00623	14.5
103.01276	0.9
103.02547	2.0
104.40710	0.2
108.04497	1.2
109.02866	5.3
111.53644	0.4
118.03506	0.8
119.01904	0.7
119.03621	0.4
120.01989	2.7
120.03240	2.3
121.01648	100.0
121.03433	2.3
122.02026	0.8
123.02074	0.6
126.02211	0.3
126.05513	1.2
126.09119	0.4
126.10251	0.3
127.03908	5.9
138.03024	1.0
139.02669	49.0
140.02948	0.6
141.03203	0.3
142.03456	0.4
144.02084	0.5
144.03210	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	130.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.2
56.05025	2.3
67.05490	0.2
70.01460	0.1
70.01858	0.1
79.96668	0.0
82.06561	0.1
82.12711	0.0
83.99323	0.0
84.08128	100.0
85.07854	0.1
85.08456	1.9
98.21448	0.1
101.26181	0.0
103.85815	0.0
112.07574	0.2
129.37375	0.0
130.08615	22.5
131.08951	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00281	0.5
53.03936	1.5
53.62227	0.5
54.03461	0.7
55.02978	0.4
55.05503	16.4
55.33086	0.4
56.05030	5.1
57.04545	0.8
57.07065	6.2
58.06585	3.8
59.06115	15.6
67.02983	1.3
67.05484	2.0
68.05019	17.0
69.03400	0.6
69.04549	1.3
69.07057	92.1
70.06577	6.7
70.07399	2.9
71.06123	1.0
79.05462	0.5
80.05003	10.7
80.53802	0.4
81.04522	4.2
81.05324	0.6
81.07034	0.8
82.04881	1.1
82.05342	0.5
82.06567	8.7
83.02467	0.7
83.06091	36.2
83.08607	18.0
84.04496	3.3
84.05616	5.4
84.06413	6.3
84.06868	0.9
84.08131	6.8
84.08941	1.2
85.04025	4.0
85.07652	9.7
86.08450	3.5
96.04505	1.0
96.08128	1.8
97.02885	2.1
97.04002	0.7
97.04797	2.8
97.07635	3.3
98.06049	3.5
98.07171	2.2
98.09650	0.9
99.09169	1.0
107.06036	1.0
107.08611	0.5
108.04441	5.0
108.05617	0.9
108.06376	0.9
108.08123	1.8
109.03983	0.7
109.07624	13.2
110.08408	0.6
112.06321	0.6
119.45680	0.4
125.02383	0.6
125.03460	1.0
125.04291	5.1
125.06074	1.2
125.07121	10.0
125.08272	30.9
125.09058	100.0
125.10622	13.8
126.04576	1.1
126.05518	13.4
126.06634	11.4
126.07668	1.0
126.09263	4.4
126.10248	46.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0757
Annotation	1beta-methylcarbapenem
Peak:m/z	Relative Intensity
50.01580	0.3
51.02375	0.4
53.03934	1.8
54.03463	0.3
55.01852	0.5
55.05504	3.0
55.60125	0.3
65.03933	0.8
67.05482	0.7
68.05005	1.9
68.05805	0.3
69.03416	0.9
69.07056	1.1
69.66751	1.4
78.03441	2.6
79.01855	0.4
79.05477	17.1
80.05002	7.7
80.05803	0.9
81.03411	0.4
81.05391	0.5
81.05783	14.5
81.07039	12.7
82.06126	0.4
82.06564	5.0
82.07371	1.2
82.77259	0.2
83.04963	1.1
84.08138	0.3
94.06554	4.9
95.04953	1.3
96.04474	71.8
96.08110	36.2
97.02856	2.0
97.03959	0.3
97.04124	0.4
97.04810	2.9
97.06504	1.1
97.08454	1.0
98.21555	0.5
103.37899	0.3
105.04492	0.4
106.06541	7.0
107.04948	1.2
107.08548	0.3
109.05231	0.7
112.03949	4.1
113.04301	0.3
119.01903	0.6
119.03701	0.4
119.45409	0.3
120.03252	0.4
120.99185	0.3
124.03932	100.0
124.07561	60.0
124.12031	0.6
125.02339	1.0
125.03458	0.5
125.04274	4.6
125.05982	1.9
125.07076	0.6
125.07906	2.7
125.09566	1.5
140.03378	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.8
53.03938	3.0
54.86544	0.5
55.05505	3.7
55.49923	0.5
57.07068	4.1
63.08504	0.4
65.03941	0.5
65.48301	0.5
67.05494	11.6
68.05017	0.6
69.07059	2.2
69.63808	3.3
72.60328	0.5
77.03925	0.6
78.03447	4.5
79.05481	9.2
80.05000	12.7
81.07042	70.1
82.07378	1.6
93.07019	1.2
94.07855	0.6
95.04955	27.3
95.08589	13.7
96.04476	84.1
96.08093	1.1
96.64177	0.5
100.02478	2.0
105.04488	0.9
105.06960	0.6
106.02838	1.1
108.05698	0.6
112.03954	1.8
118.03497	2.3
119.06006	0.6
121.10112	1.1
121.85319	0.4
123.04427	11.5
123.05534	35.0
123.08038	9.7
123.11684	31.0
124.03931	100.0
124.07568	1.8
124.11993	1.6
140.03389	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	124.0243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.3
56.96549	1.5
57.03436	0.3
58.06585	0.3
58.99849	0.2
59.07376	0.2
60.99597	0.2
64.86810	0.2
67.05491	0.3
70.06577	0.2
70.09284	0.9
70.09701	0.3
72.08157	0.4
78.03445	1.2
78.06321	1.2
78.56478	0.2
80.05019	1.2
81.03394	0.2
81.05373	0.2
82.01440	0.6
82.99820	1.1
83.01486	1.3
84.01181	0.8
84.08125	1.5
90.01542	0.5
95.73254	0.2
96.04474	19.0
96.08152	0.2
97.02889	0.4
97.04772	0.4
97.05315	0.3
98.21497	0.3
99.02055	0.6
99.22274	0.3
100.02468	3.1
101.00863	17.2
101.02538	8.0
102.00962	0.6
102.02224	3.8
102.02854	0.4
106.02932	0.2
109.02833	0.4
110.52843	0.6
112.03988	0.5
117.10222	0.6
118.03502	1.7
119.01900	100.0
119.03600	5.4
120.02013	6.2
120.03260	2.6
121.02379	0.3
123.14941	0.2
124.02447	0.8
124.03931	23.5
124.05870	0.6
124.07558	1.5
124.08713	0.5
125.04269	0.7
125.07114	0.3
133.03368	0.3
137.02933	46.4
138.03040	2.0
140.03438	0.3
142.03471	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	121.1012
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
53.03933	11.8
54.57988	1.0
55.01859	1.9
55.05486	4.6
58.99557	1.2
65.03914	4.5
67.05494	5.7
69.21020	12.8
70.06615	1.1
74.65288	1.2
76.02218	2.4
77.03927	1.6
79.05477	49.3
80.05773	1.8
81.07029	3.6
91.05465	39.0
92.05779	1.8
93.07025	94.9
94.06543	5.1
94.07359	3.5
95.04948	17.3
98.21559	2.4
99.46749	1.2
103.05452	20.7
104.05740	1.6
105.04492	4.5
105.07009	100.0
106.07260	3.1
106.07814	5.1
111.04405	3.3
119.08557	14.0
121.02843	12.1
121.04007	2.2
121.06494	22.1
121.10117	98.6
122.06002	10.2
122.06879	2.4
122.09632	4.9
122.10479	4.8
123.08036	14.4
133.07579	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	123.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94542	0.7
56.02633	0.8
58.99854	1.2
69.64830	4.9
74.32271	0.8
77.00914	1.0
82.01432	20.5
83.01492	1.1
83.84615	0.7
86.49411	0.6
100.02461	100.0
101.00873	6.4
101.02544	6.5
107.28385	0.7
118.03497	60.5
119.01895	42.7
119.03606	4.2
123.04021	2.0
137.02922	16.8
139.91748	0.8
141.05069	1.9
142.03482	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	123.0804
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.37497	0.3
51.69679	0.3
52.10828	0.3
53.03931	0.8
55.05504	2.9
57.07066	0.3
67.05495	11.7
68.05011	0.5
68.05843	0.3
69.03415	0.9
69.77534	1.5
74.10655	0.3
77.43358	0.3
78.03456	2.2
79.05479	1.7
80.05003	11.2
81.07041	4.8
81.08587	0.3
82.06551	0.5
83.04926	0.3
83.41675	0.3
91.05450	0.7
93.07030	2.4
95.04954	9.2
95.08591	7.9
96.04477	70.2
96.08122	0.5
96.08884	0.3
101.61172	0.3
103.05482	0.4
105.07008	3.0
106.02893	0.5
106.06581	0.3
106.07360	0.3
107.04978	0.5
108.05727	2.5
112.03323	0.3
112.03956	1.6
119.05991	0.5
123.04574	1.2
123.05548	30.4
123.08047	100.0
123.11595	1.4
124.03931	85.6
124.07545	1.5
124.08543	6.3
124.47126	0.3
129.97798	0.3
135.31854	0.3
139.33232	0.3
140.03424	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0648
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
51.02371	1.3
53.03939	11.4
55.01855	1.3
57.05349	0.4
63.31667	0.4
71.50896	0.8
77.03922	2.2
79.05492	0.5
79.59786	0.3
81.03397	1.2
91.05468	39.6
92.05792	1.5
93.07027	45.9
94.07323	1.0
95.04955	19.1
96.05238	0.4
102.04641	0.7
103.05450	56.5
104.05782	2.2
105.03728	1.9
105.04501	5.9
121.06486	100.0
122.06788	3.4
136.40434	0.4
137.02628	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0649
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
51.02374	1.1
53.03942	12.0
55.01862	1.8
60.07920	0.4
65.03925	0.8
70.86985	0.8
70.87346	0.8
77.03912	3.3
79.05472	0.7
81.03406	1.2
82.78107	0.4
91.05472	39.5
92.05806	1.3
93.07034	48.7
94.07384	1.5
95.04955	20.5
96.05277	0.5
99.41563	0.5
102.04673	1.0
103.05455	56.9
103.80264	0.4
104.05788	1.9
105.04501	5.1
121.06490	100.0
122.06825	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	121.0648
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
51.02369	1.0
51.35855	0.5
51.48061	0.5
52.56459	0.5
53.03708	0.7
53.03937	13.0
55.01850	1.3
55.60990	0.5
56.96542	1.2
57.87736	0.5
58.99552	1.0
65.03918	1.8
67.05478	0.9
70.97227	1.5
76.02204	0.7
77.03919	1.4
79.05463	1.7
80.16972	0.5
81.03398	1.7
84.08139	0.8
91.05466	41.2
92.05798	1.4
93.07027	47.9
94.07359	1.7
95.04954	20.9
102.04641	0.6
103.05447	54.9
104.05766	1.4
105.04489	5.4
105.06998	1.7
111.04440	0.7
116.98616	0.6
121.02869	2.7
121.06483	100.0
121.10133	1.6
122.06036	1.3
122.06838	3.1
122.09654	0.9
131.38770	0.5
133.83435	0.5
139.56209	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1011
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
53.03939	5.6
55.05503	5.3
64.37074	0.7
65.03931	1.3
65.44003	0.7
67.05493	2.1
71.20044	1.7
76.48974	0.7
77.03886	1.9
79.05478	46.1
81.03395	1.4
81.07046	2.3
91.04897	0.9
91.05464	24.6
93.07025	76.2
94.06550	1.0
94.07372	3.3
95.04947	10.3
99.01693	0.8
103.05445	14.1
105.04533	3.7
105.07008	100.0
106.07288	2.9
106.07805	4.5
119.07787	1.4
119.08568	15.4
119.25034	0.7
120.05720	0.9
120.08909	1.0
121.02853	1.4
121.03923	0.8
121.06500	6.2
121.10120	97.0
122.05996	2.1
122.10437	4.9
123.08057	15.8
133.07570	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	121.1011
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
53.03942	10.1
55.05489	5.5
56.98399	1.1
59.48780	1.1
65.03914	3.9
67.05482	4.3
68.78059	1.1
71.55492	1.8
76.02213	2.7
77.03880	1.4
79.05478	42.9
80.05814	2.2
81.07024	1.5
91.05466	34.9
93.07030	83.0
94.06563	5.0
94.07346	3.1
95.04954	12.2
103.05443	15.1
103.06060	2.0
104.05785	1.6
105.04510	3.5
105.07011	99.4
106.07840	6.7
111.04408	1.7
112.03915	1.4
119.08562	12.9
121.02860	6.4
121.03942	3.3
121.06508	14.4
121.10121	100.0
122.06001	6.5
122.06914	1.2
122.09621	4.7
122.10455	4.6
123.08040	14.9
129.86308	1.1
133.07574	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	119.0855
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03928	1.1
56.05024	1.6
59.99093	0.8
65.03918	3.4
70.09483	2.8
70.09903	1.5
74.06048	2.4
79.05489	6.5
84.08123	0.9
91.05463	100.0
92.04965	1.3
92.05795	3.0
93.07026	4.3
95.04939	1.9
96.04443	1.1
98.21463	1.6
100.07594	0.8
103.05444	10.1
104.05736	0.7
104.06234	8.0
105.04412	0.8
109.06444	1.1
115.05437	3.7
117.06987	27.7
118.07320	1.0
119.04948	2.2
119.06086	2.1
119.08555	77.5
120.04431	1.6
120.05592	1.1
120.08072	3.7
120.08895	3.1
128.10428	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	1.2
55.05514	0.6
56.05024	3.9
57.03423	0.5
65.03917	1.5
69.31096	2.6
69.31519	1.5
74.06068	7.1
79.05470	4.0
84.08135	0.5
91.05466	7.4
92.04982	1.7
92.05794	3.5
93.07027	15.3
95.04950	3.4
96.04482	0.4
97.04817	0.4
98.18867	0.5
100.07607	0.8
102.05532	1.7
103.05447	43.8
104.05777	1.5
105.04467	0.8
105.07027	3.2
106.07772	0.4
118.06520	0.8
118.07358	0.6
119.08546	0.8
119.17384	0.4
120.04446	5.2
120.05572	4.5
120.08083	100.0
121.02850	1.7
121.03934	1.2
121.06497	4.7
121.07347	0.6
121.07623	0.7
121.08420	3.4
121.10111	4.3
123.08020	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86906	0.4
51.02354	0.8
53.03931	2.2
53.47435	0.5
55.01855	2.4
55.05499	1.4
56.81502	0.5
62.39666	0.5
65.03931	31.9
66.04268	1.1
67.05476	1.4
68.99772	2.0
69.87390	2.7
71.01343	1.4
74.08315	0.5
76.02224	1.0
79.01823	0.7
79.05479	9.0
80.04997	0.7
81.83688	0.5
82.28212	0.5
91.05462	8.3
93.03376	1.0
93.07027	22.2
94.06536	1.0
95.04951	4.8
97.02828	0.5
98.21465	0.6
98.61059	0.5
103.05453	6.6
105.04497	1.9
105.07014	15.3
111.04423	21.0
112.04822	0.5
119.08587	0.9
120.06007	0.5
121.02845	100.0
121.03944	20.3
121.06488	14.2
121.08341	0.7
121.10117	10.2
122.02406	0.8
122.03145	4.0
122.04395	0.6
122.06001	3.6
122.07048	1.0
122.09637	0.8
123.08051	1.1
133.07602	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
57.53995	0.1
68.05016	0.2
70.06580	100.0
71.06295	0.2
71.06907	2.2
71.07289	0.1
71.50835	0.1
87.09857	0.1
98.06026	0.2
116.07073	17.3
117.07380	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.0706
Annotation	Proline
Peak:m/z	Relative Intensity
68.05015	0.4
69.84717	0.4
69.85110	0.2
70.06578	100.0
71.06906	2.6
71.07287	0.1
93.32288	0.1
98.06043	0.2
98.21467	0.2
116.07071	17.7
117.07431	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0652
Annotation	Indole
Peak:m/z	Relative Intensity
53.03928	0.8
55.05498	1.8
59.06114	1.1
59.93117	0.7
65.03920	1.2
66.11094	0.7
67.60504	0.9
70.06567	2.8
70.54974	2.4
72.08141	16.2
76.93352	3.2
85.01814	0.7
87.95187	0.9
91.05466	41.2
95.04947	2.0
96.04468	1.0
117.05745	2.0
118.06522	100.0
119.04929	6.1
119.06106	1.9
119.06825	4.6
119.08558	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83741	2.0
55.29228	2.2
56.96574	2.0
57.03426	1.9
61.19383	1.7
67.05490	3.5
69.03069	2.6
69.03422	30.1
69.89923	4.0
69.90337	6.5
71.02962	6.5
74.41296	1.9
82.01449	11.5
85.01423	1.8
87.53461	3.8
91.05468	4.4
93.53459	5.2
94.03556	2.5
100.02464	48.5
101.00862	20.3
101.02517	10.6
102.02213	5.2
103.02409	4.6
107.53185	5.7
109.78669	1.9
116.05518	2.1
118.03503	30.6
119.01901	100.0
119.03616	5.7
120.02030	6.9
120.03239	3.0
121.03403	2.5
133.03436	6.6
135.05058	2.5
137.02928	53.5
138.03003	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	119.0856
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03942	1.3
54.49282	0.3
56.05024	1.3
57.18573	0.3
65.03934	2.3
70.44032	1.1
73.08463	0.4
74.06079	1.5
74.78285	0.3
76.06593	0.4
77.03913	0.4
78.03436	0.5
78.04713	0.7
79.05486	4.9
91.05466	78.9
92.05802	3.1
93.07023	4.0
94.07336	0.4
95.04946	2.3
96.04481	3.5
96.05074	0.5
102.04591	0.4
102.05504	0.4
103.05450	10.1
104.05630	0.5
104.06248	7.4
109.06510	1.5
115.05428	3.4
117.06999	29.2
118.07341	1.5
119.04954	2.2
119.06074	2.0
119.08562	100.0
120.04440	1.1
120.05570	1.2
120.06404	0.4
120.08076	1.1
120.08907	4.8
121.06479	0.6
131.06042	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0649
Annotation	o-Cresol
Peak:m/z	Relative Intensity
53.03938	10.1
54.46010	0.4
55.01862	4.0
55.05499	5.1
55.77217	0.4
65.03931	4.7
66.04688	0.6
66.49125	0.4
67.05491	61.3
68.05827	0.9
69.07056	3.4
69.94378	2.5
72.93774	1.3
77.99917	2.7
79.05476	33.6
80.05813	0.7
80.06257	0.7
81.02913	0.9
81.03403	22.9
81.07038	50.0
82.03767	0.5
82.06572	1.2
82.07384	0.8
84.00360	0.6
86.00682	3.1
86.50605	2.5
87.00449	34.5
88.69487	0.4
90.94827	0.6
91.05470	8.1
92.05799	1.0
94.04169	2.0
94.07803	0.7
95.01205	1.0
95.04942	0.5
95.51126	0.6
96.00397	0.9
96.00964	7.5
98.07994	0.5
98.21471	0.7
98.51231	4.0
107.04945	1.1
107.08582	2.6
109.02873	3.8
109.06494	100.0
109.10131	46.6
110.06020	6.0
110.06837	3.0
110.09756	0.6
110.10479	1.2
111.96830	1.0
112.96731	1.2
113.10700	0.5
113.96391	12.2
118.16982	0.5
129.97871	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00290	0.4
53.03932	1.3
54.03475	0.4
55.01873	0.5
55.05503	31.2
56.05025	1.4
56.05848	0.7
57.07058	1.9
58.06591	4.1
67.05492	1.9
68.05014	1.6
69.03413	0.5
69.04539	0.5
69.07057	100.0
70.04865	0.4
70.06582	9.3
70.07394	1.7
71.02475	0.5
71.06107	1.1
82.05334	1.1
82.06567	0.6
83.04979	0.7
83.06102	2.8
83.08597	0.5
84.08145	0.9
85.07664	0.8
88.00455	1.2
89.00244	0.5
93.07039	0.4
94.06535	0.6
95.06065	1.1
96.05622	0.5
97.00989	1.0
98.21624	0.9
99.51258	0.6
110.07176	1.2
111.04413	1.4
111.05560	4.8
111.06268	0.4
111.06771	0.7
111.07453	1.0
111.08000	1.2
111.09187	22.7
111.11700	0.7
112.03937	1.5
112.05063	1.4
112.07559	1.7
112.08718	10.7
112.09494	0.9
112.11195	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	1125.5023
Annotation	Unknow
Peak:m/z	Relative Intensity
88.16022	0.1
97.93269	0.1
112.90394	0.1
311.25797	0.3
384.11975	0.1
396.12296	0.4
397.12991	0.6
398.13669	0.4
399.14172	0.2
400.15262	0.1
407.10471	0.1
409.13000	0.3
410.13477	0.8
411.14374	2.5
412.15088	1.9
413.15869	1.1
414.16504	0.3
422.13977	0.2
423.15054	0.8
424.11063	0.6
424.16190	1.2
425.16226	5.7
426.16797	4.1
427.17514	1.5
428.18768	0.9
430.16647	0.2
437.11267	0.2
437.17148	0.6
438.13058	1.6
438.17490	0.7
439.13449	7.9
440.13959	0.7
440.18967	3.4
441.19199	20.2
442.14050	0.2
442.19537	2.3
444.18173	0.1
449.17032	0.2
451.13397	0.4
451.18146	0.4
452.14026	1.9
453.15143	9.0
454.15820	3.2
455.16556	0.4
456.18365	0.2
457.14420	0.3
458.15305	0.3
459.20288	0.3
463.14044	0.5
464.14447	0.2
465.15536	0.8
466.11569	0.1
466.16656	0.7
467.17099	16.8
468.17722	9.1
469.18732	8.3
470.19501	1.1
471.16663	0.6
472.17145	0.6
477.15540	0.3
478.15878	0.4
479.16629	0.4
480.17191	0.8
481.14670	10.3
482.15005	2.7
482.21677	0.2
483.16083	0.4
484.16571	0.2
485.18729	0.8
486.18835	0.2
487.19754	0.3
493.15475	0.3
494.17224	0.6
495.16327	9.7
496.16925	15.1
497.17334	3.1
498.19382	0.6
499.15750	0.5
499.19586	0.7
500.20685	0.2
508.19971	0.6
509.18219	1.8
510.19366	0.7
511.18689	0.2
512.21179	0.7
513.17755	0.6
514.22510	2.1
522.17920	0.8
523.19550	1.0
524.20593	0.2
525.18213	0.2
526.18073	0.2
527.23633	1.8
528.19727	0.5
529.18951	0.2
536.19269	0.8
537.19537	1.6
538.18842	0.4
539.19275	0.4
540.20239	0.3
541.20880	0.2
542.21381	0.8
545.23621	0.3
551.19690	0.3
554.21228	0.2
555.22302	21.1
556.22723	2.4
567.18896	0.2
568.19708	0.5
569.19171	0.2
573.22998	0.2
582.20544	0.3
583.21765	58.9
584.22009	8.6
585.21973	0.6
586.20770	0.9
587.25110	1.3
588.25018	0.2
600.21429	0.5
601.23010	0.2
610.19922	0.2
611.21216	1.5
612.21881	0.2
614.23413	0.9
615.24371	4.2
616.24384	0.6
628.21570	0.2
642.23126	9.6
643.23743	100.0
644.24023	9.7
644.33099	0.2
645.23926	0.3
646.24023	0.2
829.21063	0.2
921.60663	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06585	2.5
59.07368	0.7
60.08153	29.8
61.08490	0.3
68.04994	0.2
69.03410	1.8
69.66814	1.4
84.08098	0.3
86.06039	1.6
87.04452	5.5
96.19535	0.2
96.96550	0.2
104.10723	100.0
105.11044	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	105.0337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01581	1.7
51.02373	5.8
53.00299	0.5
53.03936	52.3
54.04256	0.8
55.01861	2.4
56.16092	0.4
58.99567	0.6
60.04517	3.8
61.08450	0.6
68.99790	0.5
69.03407	0.6
70.03729	1.0
70.82083	1.6
72.36729	0.4
77.03908	7.2
78.03425	0.5
79.05478	10.7
81.03401	6.2
84.31033	0.5
84.71256	0.5
86.64550	0.5
87.00800	1.2
87.06375	0.8
88.03943	0.6
88.04796	3.3
95.04948	100.0
96.04462	1.4
96.05280	1.9
103.05447	6.4
104.98319	0.5
105.03373	89.1
105.04455	26.9
105.07006	30.3
105.11063	2.9
106.03672	2.3
106.04834	0.7
106.06528	2.9
118.06564	1.1
124.05918	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.8
53.03938	7.0
53.09442	0.4
60.04514	0.4
61.90224	0.4
70.69016	1.4
70.69376	0.7
77.03910	1.6
77.75293	0.4
79.05477	31.0
80.05797	0.5
88.04770	0.6
95.04951	11.6
96.04481	0.6
103.05445	23.1
104.05766	0.7
105.04525	3.2
105.07010	100.0
106.06699	0.7
106.07307	3.2
112.20549	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0701
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02375	1.0
53.03941	5.6
55.01846	0.6
70.12559	1.8
77.03912	1.6
79.05477	33.0
80.05795	0.8
81.03376	0.9
95.04353	0.8
95.04947	12.0
96.46224	0.4
103.05446	24.5
105.04518	2.6
105.07010	100.0
106.07319	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	1076.5769
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05478	2.5
81.03399	7.7
81.07039	8.6
83.01331	0.4
83.04966	0.7
83.08602	1.5
85.02886	100.0
86.03207	1.1
87.04451	2.4
91.03934	3.8
91.05438	3.2
93.06472	0.6
93.07026	6.0
93.07561	0.2
95.04929	0.9
95.07970	0.7
95.08585	15.1
97.02869	49.2
97.10136	1.1
98.03246	0.6
99.04432	4.2
101.02345	0.7
103.03923	2.4
103.05447	1.8
105.07018	5.7
107.08566	8.9
108.08865	0.5
109.02853	9.2
109.10136	7.8
111.04406	0.7
111.11705	0.5
115.03902	14.3
117.05467	0.3
117.07014	1.1
119.08557	13.7
120.08871	0.4
121.10111	8.7
123.04396	0.5
123.11681	4.7
125.02313	0.6
127.03886	36.5
128.04271	0.3
129.06972	0.4
131.04890	5.0
131.08543	3.6
133.04936	19.0
133.10112	5.5
135.04416	0.3
135.11671	6.6
137.13232	3.5
143.08580	1.8
145.04927	61.8
145.10089	8.6
146.05289	0.5
147.11649	5.3
149.05948	1.2
149.13234	6.4
157.04816	0.6
157.10104	2.6
159.11667	6.0
161.09598	0.4
161.13222	4.2
162.07553	0.4
163.05991	26.4
163.07405	1.7
163.14795	2.3
168.06538	0.5
169.04965	0.5
169.10077	0.6
170.10867	0.4
171.11571	1.9
172.12393	0.5
173.13232	3.9
175.14828	2.5
177.16364	1.8
179.14287	1.3
180.08800	0.4
181.04897	0.9
181.06926	0.6
184.12430	0.3
185.13232	1.9
187.14764	9.9
188.15182	0.4
189.16354	7.3
191.10670	0.5
191.17903	15.4
193.04903	1.7
197.13310	0.7
199.06018	1.9
199.14761	3.8
201.16333	11.3
202.16611	0.5
203.17902	7.4
204.08597	2.1
205.05022	0.4
205.07024	0.5
205.15912	0.6
205.19470	3.8
207.13705	0.8
207.17470	1.1
211.05991	0.8
211.14726	0.7
213.16312	4.3
215.14281	0.6
215.17912	1.6
217.07011	2.7
217.19449	1.6
219.13759	1.0
219.17346	0.4
223.05939	5.8
225.16331	0.5
227.17920	0.9
229.19482	1.1
231.13826	0.7
231.17415	1.1
231.21010	0.6
233.15334	7.0
234.15706	0.4
239.17897	0.9
241.04527	0.5
241.07013	9.3
241.19466	1.2
243.21045	0.7
245.15273	2.9
247.08081	0.9
247.16861	6.3
253.07045	0.4
253.19662	0.7
255.20996	1.0
259.08063	18.7
259.16858	1.1
269.22592	0.6
271.08066	1.5
271.16949	0.4
273.18463	0.7
277.09128	4.7
285.18369	0.7
287.20123	0.7
289.09152	3.5
295.10165	18.6
296.10513	0.4
299.20114	1.0
313.21680	0.6
325.11209	16.9
391.33514	7.7
393.35132	1.1
409.29541	0.6
409.34534	8.6
410.34821	0.6
411.35919	1.2
419.32767	0.6
435.32666	0.3
437.34070	71.0
438.34311	3.4
453.33170	0.4
455.35162	5.7
457.15222	0.4
457.59106	0.4
481.32922	0.4
563.33459	0.4
585.39233	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	1086.562
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03909	0.2
79.05480	1.1
80.04980	0.5
81.03404	1.4
81.07040	3.2
82.06583	0.3
83.03722	0.2
83.04967	0.4
83.08590	0.6
84.04489	43.4
85.02888	2.7
85.04824	0.4
87.04444	0.6
91.05460	1.4
93.07030	2.0
93.68207	0.2
95.04952	0.7
95.08588	4.9
96.04475	6.1
97.02871	10.2
97.10124	0.3
98.06036	3.8
99.04422	1.5
101.02347	0.2
102.05502	0.2
103.03925	0.4
103.05450	2.8
105.07011	2.4
107.08578	2.7
108.04438	0.6
109.02848	1.9
109.10135	2.2
110.06055	0.2
111.04443	0.2
111.45524	0.2
114.05535	0.4
115.03905	5.7
117.06968	0.3
117.22796	0.1
119.07713	0.2
119.08564	2.8
121.10117	2.4
123.11687	1.5
124.03934	0.7
126.05492	65.0
127.03867	1.2
127.05859	0.8
128.06195	0.3
129.07007	0.4
131.04903	5.6
131.08549	1.5
133.04932	1.6
133.10097	1.3
135.08047	0.3
135.11678	1.6
137.13219	1.5
138.05473	43.9
139.05841	0.5
140.07037	0.2
141.06960	0.3
142.07771	0.2
143.03366	0.4
143.08528	0.9
144.06531	9.1
145.04985	0.2
145.10103	2.7
147.08051	0.2
147.11647	1.3
149.04480	0.3
149.05954	0.4
149.09676	0.2
149.13211	1.1
150.05536	0.2
151.03894	0.4
155.08519	0.5
156.09258	0.3
157.04918	0.4
157.10104	1.7
159.08006	0.4
159.11665	1.2
161.09650	0.3
161.13167	0.8
162.07596	0.7
163.14873	0.3
165.05446	0.3
167.07011	0.2
167.08482	0.2
168.06528	14.1
169.06905	0.3
169.10100	0.7
170.10852	0.5
171.08029	0.3
171.11575	0.7
173.13284	0.8
175.05862	0.2
175.14804	0.5
177.16350	0.5
178.53952	0.2
181.10034	0.2
183.07999	0.2
183.11609	0.7
185.13243	1.4
186.07578	11.3
187.07831	0.4
187.11169	0.6
187.14784	1.6
189.09131	0.2
189.16338	0.3
191.17880	1.1
192.06531	0.3
195.11592	0.3
197.13258	0.5
199.14687	0.9
201.12730	0.6
201.16397	0.8
203.14214	0.9
203.18001	0.9
204.08635	100.0
205.08939	1.9
205.19545	0.3
209.13213	0.2
211.05968	3.0
211.07735	0.3
211.14796	0.6
213.12622	0.3
213.16336	0.5
215.14149	0.2
215.17964	0.3
217.07074	0.2
217.15919	0.2
217.19501	0.4
222.09685	14.0
223.14732	0.3
225.16344	0.4
227.14301	0.3
229.07008	1.2
229.15811	0.4
231.13776	0.3
239.17842	0.3
245.15335	0.5
247.08105	0.5
251.17976	0.3
253.19377	0.2
258.09647	0.5
285.18356	0.2
300.10571	0.9
318.11813	0.4
336.12814	29.3
337.13342	0.8
353.24130	0.2
354.13956	2.7
379.33511	0.2
385.38037	0.2
389.31906	0.2
391.33466	0.5
407.32895	0.7
409.34418	0.7
435.32483	2.2
436.33548	0.2
453.33575	1.4
468.17056	21.9
469.17285	0.9
583.37207	0.3
822.47894	0.3
1086.58545	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1072
Annotation	Choline
Peak:m/z	Relative Intensity
58.06582	2.9
59.07368	0.8
60.08152	32.7
61.08493	0.4
69.03413	0.8
69.42034	0.7
69.42460	0.6
83.87007	0.2
86.06047	0.7
86.09698	0.2
87.04450	2.8
97.29206	0.2
104.10722	100.0
105.11048	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.8
55.01860	2.4
56.05012	3.9
56.96557	2.2
57.03413	2.1
58.06587	9.9
58.99850	2.1
59.96165	2.4
60.04502	1.0
60.08144	6.2
60.50151	1.5
60.95840	39.2
62.02447	1.1
62.06079	1.7
62.92976	1.6
64.84487	0.9
68.05000	3.3
68.99786	0.9
69.03419	18.3
69.50700	7.4
71.02972	34.4
71.03365	1.7
71.21351	1.6
71.53023	7.5
72.02854	8.4
72.04498	1.5
72.52957	1.9
77.00897	2.7
78.51227	5.0
78.52945	9.6
79.03082	1.1
79.05480	2.1
80.03489	14.9
80.51682	1.2
80.52682	7.1
80.53194	4.1
80.53632	11.5
81.01485	15.8
81.01958	1.0
81.02786	1.5
81.03358	15.9
81.03774	1.3
81.53486	1.4
82.01424	10.0
82.53743	4.0
83.01507	3.8
83.03768	1.1
84.01163	2.9
84.03735	0.9
84.04486	2.2
85.02782	0.8
86.06052	22.7
87.04449	51.4
87.53458	1.1
89.52321	0.9
89.53210	9.5
89.53741	1.4
90.02002	12.8
90.03294	1.3
90.03832	2.0
90.53065	2.3
92.03468	11.5
92.03925	0.6
92.04408	1.6
92.52237	1.8
92.53583	1.7
92.54134	2.7
93.02432	1.2
93.03320	3.0
93.04260	3.9
95.01941	1.2
95.04954	3.0
100.02457	100.0
101.00868	5.1
101.02528	19.5
101.03981	3.8
101.54008	1.1
102.02214	25.9
102.03850	1.0
103.05560	0.8
103.54275	1.6
104.04243	0.9
104.07060	4.5
104.10723	22.5
105.00367	1.9
105.03371	1.0
105.04477	2.5
105.07018	5.5
109.02849	2.1
115.02396	1.9
118.03497	76.4
119.01895	41.1
119.03643	13.2
119.53017	0.9
120.01994	5.3
120.03234	20.7
121.01665	6.3
121.03450	1.3
123.01439	0.9
123.04042	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	103.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.7
53.03703	0.7
53.03937	9.1
56.96283	0.8
56.96553	9.2
57.03407	1.6
57.05339	0.8
58.06583	1.3
58.96157	0.8
59.06103	1.0
60.02143	2.8
60.04513	0.7
60.08157	3.9
60.95840	1.4
61.02890	1.3
61.04042	1.1
68.05027	0.6
69.03413	6.3
75.04464	1.5
76.51556	0.8
77.03904	1.4
79.01841	1.4
79.52015	1.6
81.03399	1.3
85.02872	3.1
86.03225	2.2
86.06049	5.2
87.04449	18.6
88.01580	1.4
88.02364	2.1
88.52573	0.8
95.04949	19.2
102.04661	2.6
103.04003	5.5
103.05447	100.0
104.05766	2.0
104.07060	1.1
104.10719	14.8
105.04501	4.0
114.55296	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.5426
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51663	0.9
55.01861	0.8
55.05503	0.4
55.98383	0.3
56.05016	1.5
56.96556	3.6
57.03418	0.7
58.01448	1.2
58.06580	0.8
58.96159	4.4
58.99830	1.5
59.06117	0.7
59.52169	1.6
59.93058	0.2
59.96158	1.0
60.02141	0.4
60.04527	0.7
60.50181	1.0
60.95844	17.4
62.02439	1.8
64.02203	0.5
65.01169	0.3
65.52194	0.4
68.01225	0.4
68.05031	0.5
68.50858	0.6
68.52717	0.6
69.03428	0.7
69.50694	3.1
69.63683	1.9
71.02974	30.9
71.53027	4.5
72.00960	0.7
72.02850	3.2
72.52971	0.3
76.02493	0.9
77.00903	1.2
77.51384	1.0
78.51234	2.3
78.52956	3.8
79.00637	0.3
79.01842	0.4
79.52013	0.7
80.01662	2.5
80.03493	49.6
80.52682	1.9
80.53207	2.6
80.53640	6.0
81.01487	7.3
81.03362	8.7
81.53484	0.3
82.01433	21.9
82.05318	1.1
82.53754	3.1
83.01488	3.1
83.02957	0.3
83.03819	0.5
83.04977	0.3
83.53637	0.4
84.01159	2.0
84.04485	0.6
85.02885	0.6
86.03224	0.3
86.06050	1.1
87.04469	1.8
87.51740	0.3
87.53483	1.1
88.52528	0.4
89.02165	1.2
89.03487	0.4
89.04007	5.7
89.52301	0.9
89.53235	2.0
89.54132	0.9
90.02002	4.8
90.03883	0.8
91.53729	0.7
91.54274	4.9
92.03467	4.8
92.03961	0.2
92.04394	0.5
92.52720	0.4
92.53583	0.7
92.54540	0.3
93.03352	0.4
93.04263	0.7
94.04530	0.4
96.04487	1.0
98.20898	0.4
99.02509	0.4
100.02467	100.0
100.52420	1.2
100.54817	1.0
101.00866	4.2
101.01528	0.6
101.02536	11.7
101.04002	1.2
101.54094	0.3
102.01057	0.4
102.02226	9.3
102.02847	0.6
103.00621	0.4
103.02533	0.9
103.03929	1.0
104.10720	1.1
105.00431	0.3
112.03223	0.3
115.01156	0.8
115.02425	0.5
117.03975	0.6
118.03503	60.9
119.01905	24.7
119.03589	8.5
120.01996	2.6
120.03255	5.9
120.03976	0.4
120.97913	0.6
121.01651	5.0
121.02459	0.5
123.04044	3.6
124.02452	0.7
124.04092	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01572	0.6
51.02359	1.5
53.03937	15.4
54.88066	0.5
55.01865	1.0
56.05033	0.7
56.96292	0.9
56.96555	13.8
57.03415	2.1
58.06582	1.7
58.96164	1.1
59.06107	1.0
60.02142	3.2
60.08148	4.9
60.95841	1.5
61.02918	0.6
61.04041	1.1
64.30565	0.6
67.51051	1.6
68.05016	1.0
68.50814	0.6
69.03420	5.2
69.24120	5.7
69.50692	0.5
73.02912	0.5
75.04453	1.5
76.51565	1.8
77.03918	3.0
79.01839	2.9
79.52012	1.5
80.01646	0.5
81.03403	1.3
85.02883	3.5
85.08443	0.7
86.03222	0.8
86.06055	6.0
87.04456	16.5
88.01595	2.4
88.02346	2.8
88.52525	1.7
90.06339	0.5
95.04953	24.1
102.04658	4.4
103.03974	9.4
103.05450	100.0
103.09451	0.6
104.05766	1.8
104.07074	0.8
104.10719	14.6
105.04490	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	1017.321
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04967	0.1
73.02884	0.2
74.09699	0.1
76.22153	0.1
81.03401	0.9
82.06645	0.1
83.01326	0.1
84.04464	0.1
84.08124	0.1
84.87467	0.1
85.02885	5.6
86.09676	0.2
87.04405	0.1
91.03925	0.3
91.05466	0.1
93.03392	0.2
95.04952	0.2
97.02866	2.0
99.04413	0.3
105.07052	0.1
109.02855	0.8
111.00784	0.7
115.03895	0.1
121.02847	0.7
123.04426	0.2
127.03891	1.1
129.06970	0.2
131.04875	0.1
131.08466	0.1
135.04364	0.2
137.02304	2.2
137.03371	0.1
137.05867	0.2
145.02892	0.1
145.04926	1.2
145.06456	0.1
147.04279	0.1
149.02350	0.4
149.05994	0.1
153.01794	2.6
155.04865	0.2
157.06445	0.1
159.07964	0.2
161.05934	0.2
161.19316	0.1
162.07489	0.1
163.03864	0.5
165.01814	1.6
166.02524	0.2
167.06982	0.1
173.05963	0.3
177.05513	0.1
183.02913	0.6
183.04320	0.1
183.08069	0.1
187.03871	0.2
187.07407	0.1
191.03397	0.1
194.93013	0.1
195.02879	0.1
201.05409	1.1
205.04839	0.1
206.08101	0.1
207.02898	0.1
207.06367	0.1
213.05484	0.1
215.03278	0.1
219.02982	0.1
219.06471	0.3
219.10149	0.1
229.04924	3.2
233.04472	0.1
237.75273	0.1
245.04480	0.1
246.04988	0.1
247.05975	0.4
249.11189	1.7
249.13751	0.1
250.11494	0.3
251.12100	0.1
257.04382	2.3
258.04788	0.1
267.12177	0.3
274.04660	0.7
275.05325	0.2
285.03870	1.2
303.04916	100.0
304.05237	3.1
319.04507	0.1
335.69046	0.1
345.06140	0.1
348.10611	0.1
453.23679	0.1
465.10245	0.8
520.79974	0.1
END